NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492876 |
2oq3   |
15126 | cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 32 LEU MDY 32 LEU HA 2.80 (# 0:25 Unique 2.09, 3.83 A)
&rst
ixpk= 0, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 1 MET HB+ 1 MET HA 2.80 (# 1:25 Unique 2.34, 2.83 A)
&rst
ixpk= 1, nxpk= 25, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 8, 9,
&end
#
# 1 MET HB- 1 MET HA 2.80 (# 2:25 Unique 2.34, 2.83 A)
&rst
ixpk= 2, nxpk= 25, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 8, 9,
&end
#
# 2 ARG HN 1 MET HA 2.80 (# 3:25 Unique 2.20, 2.36 A)
&rst
ixpk= 3, nxpk= 25, iat= 21, 6, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 1 MET HG+ 1 MET HB- 2.80 (# 6:25 Unique 2.26, 2.59 A)
&rst
ixpk= 6, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HG+ 1 MET HB+ 2.80 (# 7:25 Unique 2.26, 2.59 A)
&rst
ixpk= 7, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 5 ASP HB+ 1 MET HB- 4.50 (# 8:25 Unique 3.60, 5.68 A)
&rst
ixpk= 8, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 79, 80,
igr2= 8, 9,
&end
#
# 5 ASP HB+ 1 MET HB+ 4.50 (# 9:25 Unique 3.60, 5.68 A)
&rst
ixpk= 9, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 79, 80,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB- 3.50 (# 10:25 Unique 2.34, 2.83 A)
&rst
ixpk= 10, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB+ 3.50 (# 11:25 Unique 2.34, 2.83 A)
&rst
ixpk= 11, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 8, 9,
&end
#
# 2 ARG HA 1 MET HB- 4.50 (# 12:25 Unique 4.56, 5.33 A)
&rst
ixpk= 12, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 8, 9,
&end
#
# 2 ARG HA 1 MET HB+ 5.50 (# 13:25 Unique 4.56, 5.33 A)
&rst
ixpk= 13, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 8, 9,
&end
#
# 2 ARG HN 1 MET HB+ 3.50 (# 18:25 Unique 2.50, 3.77 A)
&rst
ixpk= 18, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 8, 9,
&end
#
# 1 MET HB+ 1 MET HG+ 2.80 (# 19:25 Unique 2.26, 2.59 A)
&rst
ixpk= 19, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 1 MET HB- 1 MET HG+ 2.80 (# 20:25 Unique 2.26, 2.59 A)
&rst
ixpk= 20, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG+ 3.50 (# 21:25 Unique 2.31, 3.22 A)
&rst
ixpk= 21, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 11, 12,
&end
#
# 65 MET HA 65 MET HG- 4.50 (# 22:25 Unique 2.44, 2.84 A)
&rst
ixpk= 22, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1011,1012,
&end
#
# 65 MET HA 65 MET HG+ 4.50 (# 23:25 Unique 2.44, 2.84 A)
&rst
ixpk= 23, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1011,1012,
&end
#
# 0 AMB 25-2:24 35 LYS HA 2.80 (# 24:25 Single Ambig)
&rst
ixpk= 24, nxpk= 25, iat= -1, 540, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 545, 546, 548, 549,
&end
#
# 0 AMB 25-2:25 0 AMB 25-1:25 2.80 (# 25:25 Double Ambig)
&rst
ixpk= 25, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 542, 543, 28, 29, 25, 26, 548, 549,
igr2= 540, 23,
&end
#
# 2 ARG HB- 2 ARG HA 2.80 (# 26:25 Unique 2.54, 2.83 A)
&rst
ixpk= 26, nxpk= 25, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 25, 26,
&end
#
# 124 GLU HB+ 124 GLU HA 2.80 (# 27:25 Unique 2.53, 2.80 A)
&rst
ixpk= 27, nxpk= 25, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1873,1874,
&end
#
# 0 AMB 25-2:29 0 AMB 25-1:29 4.50 (# 29:25 Double Ambig)
&rst
ixpk= 29, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1072,1073, 31, 32,
igr2=1064, 23,
&end
#
# 125 GLU HN 124 GLU HA 2.80 (# 33:25 Unique 2.04, 2.11 A)
&rst
ixpk= 33, nxpk= 25, iat=1884,1871, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 3 LEU HN 2 ARG HA 2.80 (# 34:25 Unique 2.05, 2.15 A)
&rst
ixpk= 34, nxpk= 25, iat= 45, 23, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 2 ARG HN 2 ARG HA 3.50 (# 35:25 Unique 2.86, 2.91 A)
&rst
ixpk= 35, nxpk= 25, iat= 21, 23, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 GLU HN 124 GLU HA 3.50 (# 36:25 Unique 2.94, 2.95 A)
&rst
ixpk= 36, nxpk= 25, iat=1869,1871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 LYS HN 35 LYS HA 3.50 (# 37:25 Unique 2.98, 3.00 A)
&rst
ixpk= 37, nxpk= 25, iat= 538, 540, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:38 35 LYS HA 4.50 (# 38:25 Single Ambig)
&rst
ixpk= 38, nxpk= 25, iat= -1, 540, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 569, 570, 582, 591,
&end
#
# 2 ARG HD+ 2 ARG HB- 2.80 (# 39:25 Unique 2.40, 3.34 A)
&rst
ixpk= 39, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 31, 32,
igr2= 25, 26,
&end
#
# 2 ARG HD+ 2 ARG HB+ 3.50 (# 40:25 Unique 2.40, 3.34 A)
&rst
ixpk= 40, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 31, 32,
igr2= 25, 26,
&end
#
# 2 ARG HA 2 ARG HB- 2.80 (# 41:25 Unique 2.54, 2.83 A)
&rst
ixpk= 41, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 25, 26,
&end
#
# 2 ARG HA 2 ARG HB+ 3.50 (# 42:25 Unique 2.54, 2.83 A)
&rst
ixpk= 42, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 5 ASP HN 2 ARG HB- 4.50 (# 43:25 Unique 2.68, 3.41 A)
&rst
ixpk= 43, nxpk= 25, iat= 75, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 25, 26,
&end
#
# 2 ARG HN 2 ARG HB- 3.50 (# 44:25 Unique 2.18, 2.94 A)
&rst
ixpk= 44, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 3 LEU HN 2 ARG HB- 4.50 (# 45:25 Unique 3.44, 4.10 A)
&rst
ixpk= 45, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 25, 26,
&end
#
# 3 LEU HN 2 ARG HB+ 4.50 (# 46:25 Unique 3.44, 4.10 A)
&rst
ixpk= 46, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 25, 26,
&end
#
# 2 ARG HN 2 ARG HB+ 3.50 (# 47:25 Unique 2.18, 2.94 A)
&rst
ixpk= 47, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 3 LEU HN 2 ARG HG+ 4.50 (# 48:25 Unique 4.06, 4.93 A)
&rst
ixpk= 48, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 28, 29,
&end
#
# 2 ARG HN 2 ARG HG+ 3.50 (# 49:25 Unique 2.66, 3.97 A)
&rst
ixpk= 49, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 28, 29,
&end
#
# 2 ARG HA 2 ARG HG+ 2.80 (# 50:25 Unique 2.30, 3.08 A)
&rst
ixpk= 50, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 28, 29,
&end
#
# 2 ARG HB- 2 ARG HD+ 2.80 (# 51:25 Unique 2.40, 3.34 A)
&rst
ixpk= 51, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 25, 26,
igr2= 31, 32,
&end
#
# 0 AMB 25-2:52 0 AMB 25-1:52 2.80 (# 52:25 Double Ambig)
&rst
ixpk= 52, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 28, 29, 25, 26,
igr2= 31, 32, 31, 32,
&end
#
# 0 AMB 25-2:53 0 AMB 25-1:53 3.50 (# 53:25 Double Ambig)
&rst
ixpk= 53, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1064, 23,
igr2=1072,1073, 31, 32,
&end
#
# 5 ASP HN 2 ARG HD+ 5.50 (# 56:25 Unique 5.72, 6.25 A)
&rst
ixpk= 56, nxpk= 25, iat= 75, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 31, 32,
&end
#
# 2 ARG HN 2 ARG HD+ 4.50 (# 57:25 Unique 2.36, 2.82 A)
&rst
ixpk= 57, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 31, 32,
&end
#
# 3 LEU HN 2 ARG HD+ 5.50 (# 58:25 Unique 4.30, 5.53 A)
&rst
ixpk= 58, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 31, 32,
&end
#
# 3 LEU HN 3 LEU HA 3.50 (# 59:25 Unique 2.72, 2.79 A)
&rst
ixpk= 59, nxpk= 25, iat= 45, 47, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 TYR HD 3 LEU HA 3.50 (# 61:25 Unique 2.20, 4.74 A)
&rst
ixpk= 61, nxpk= 25, iat= -1, 47, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 95, 104,
&end
#
# 3 LEU HB+ 3 LEU HA 2.80 (# 64:25 Unique 2.47, 2.84 A)
&rst
ixpk= 64, nxpk= 25, iat= -1, 47, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 49, 50,
&end
#
# 3 LEU HB- 3 LEU HA 2.80 (# 65:25 Unique 2.47, 2.84 A)
&rst
ixpk= 65, nxpk= 25, iat= -1, 47, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 49, 50,
&end
#
# 117 ALA MB 3 LEU HA 3.50 (# 66:25 Unique 2.38, 3.66 A)
&rst
ixpk= 66, nxpk= 25, iat= -1, 47, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1769,1770,1771,
&end
#
# 3 LEU HG 3 LEU HB- 2.80 (# 68:25 Unique 2.31, 2.45 A)
&rst
ixpk= 68, nxpk= 25, iat= 52, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 49, 50,
&end
#
# 3 LEU HA 3 LEU HB+ 3.50 (# 69:25 Unique 2.47, 2.84 A)
&rst
ixpk= 69, nxpk= 25, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 49, 50,
&end
#
# 3 LEU HA 3 LEU HB- 3.50 (# 70:25 Unique 2.47, 2.84 A)
&rst
ixpk= 70, nxpk= 25, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 49, 50,
&end
#
# 2 ARG HA 3 LEU HB+ 5.50 (# 71:25 Unique 4.23, 4.98 A)
&rst
ixpk= 71, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 49, 50,
&end
#
# 2 ARG HA 3 LEU HB- 4.50 (# 72:25 Unique 4.23, 4.98 A)
&rst
ixpk= 72, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 49, 50,
&end
#
# 4 SER HN 3 LEU HB+ 4.50 (# 73:25 Unique 2.45, 3.02 A)
&rst
ixpk= 73, nxpk= 25, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 49, 50,
&end
#
# 4 SER HN 3 LEU HB- 4.50 (# 74:25 Unique 2.45, 3.02 A)
&rst
ixpk= 74, nxpk= 25, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 49, 50,
&end
#
# 3 LEU HN 3 LEU HB+ 3.50 (# 75:25 Unique 2.23, 2.95 A)
&rst
ixpk= 75, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 49, 50,
&end
#
# 3 LEU HN 3 LEU HB- 3.50 (# 76:25 Unique 2.23, 2.95 A)
&rst
ixpk= 76, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 49, 50,
&end
#
# 3 LEU HA 3 LEU HG 4.50 (# 78:25 Unique 3.32, 3.73 A)
&rst
ixpk= 78, nxpk= 25, iat= 47, 52, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 LEU HA 3 LEU HG 4.50 (# 79:25 Unique 4.21, 4.46 A)
&rst
ixpk= 79, nxpk= 25, iat=1777, 52, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 147 GLY HA+ 3 LEU HG 5.50 (# 80:25 Unique 2.82, 3.94 A)
&rst
ixpk= 80, nxpk= 25, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2238,2239,
&end
#
# 3 LEU HB+ 3 LEU HG 2.80 (# 83:25 Unique 2.31, 2.45 A)
&rst
ixpk= 83, nxpk= 25, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 49, 50,
&end
#
# 0 AMB 25-2:84 0 AMB 25-1:84 4.50 (# 84:25 Double Ambig)
&rst
ixpk= 84, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=2219,2220, 213,1270,1271,
igr2= 52, 235, 236,
&end
#
# 144 ILE QD1 4 SER HA 4.50 (# 85:25 Unique 4.37, 5.67 A)
&rst
ixpk= 85, nxpk= 25, iat= -1, 66, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2195,2196,2197,
&end
#
# 144 ILE QG2 4 SER HA 3.50 (# 86:25 Unique 2.33, 2.88 A)
&rst
ixpk= 86, nxpk= 25, iat= -1, 66, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2188,2189,2190,
&end
#
# 0 AMB 25-2:87 4 SER HA 4.50 (# 87:25 Single Ambig)
&rst
ixpk= 87, nxpk= 25, iat= -1, 66, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 49, 50,2186,
&end
#
# 7 PHE HB+ 4 SER HA 5.50 (# 88:25 Unique 2.12, 3.69 A)
&rst
ixpk= 88, nxpk= 25, iat= -1, 66, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 112, 113,
&end
#
# 4 SER HB+ 4 SER HA 2.80 (# 89:25 Unique 2.26, 2.58 A)
&rst
ixpk= 89, nxpk= 25, iat= -1, 66, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 68, 69,
&end
#
# 0 AMB 25-2:92 4 SER HA 3.50 (# 92:25 Single Ambig)
&rst
ixpk= 92, nxpk= 25, iat= -1, 66, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 116, 124, 108,
&end
#
# 5 ASP HN 4 SER HA 4.50 (# 94:25 Unique 3.49, 3.55 A)
&rst
ixpk= 94, nxpk= 25, iat= 75, 66, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 TYR HN 4 SER HA 5.50 (# 95:25 Unique 3.59, 3.84 A)
&rst
ixpk= 95, nxpk= 25, iat= 87, 66, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 SER HN 4 SER HA 3.50 (# 96:25 Unique 2.66, 2.74 A)
&rst
ixpk= 96, nxpk= 25, iat= 64, 66, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 SER HN 4 SER HB+ 3.50 (# 97:25 Unique 2.60, 3.11 A)
&rst
ixpk= 97, nxpk= 25, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 68, 69,
&end
#
# 4 SER HN 4 SER HB- 3.50 (# 98:25 Unique 2.60, 3.11 A)
&rst
ixpk= 98, nxpk= 25, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 68, 69,
&end
#
# 6 TYR HN 5 ASP HA 3.50 (# 99:25 Unique 3.40, 3.52 A)
&rst
ixpk= 99, nxpk= 25, iat= 87, 77, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 ASP HN 5 ASP HA 2.80 (# 100:25 Unique 2.83, 2.85 A)
&rst
ixpk= 100, nxpk= 25, iat= 75, 77, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 PHE HN 5 ASP HA 4.50 (# 101:25 Unique 4.16, 4.48 A)
&rst
ixpk= 101, nxpk= 25, iat= 108, 77, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 ASP HB+ 5 ASP HA 2.80 (# 102:25 Unique 2.46, 2.76 A)
&rst
ixpk= 102, nxpk= 25, iat= -1, 77, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 79, 80,
&end
#
# 5 ASP HB- 5 ASP HA 2.80 (# 103:25 Unique 2.46, 2.76 A)
&rst
ixpk= 103, nxpk= 25, iat= -1, 77, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 79, 80,
&end
#
# 6 TYR HN 6 TYR HB+ 3.50 (# 104:25 Unique 2.34, 3.03 A)
&rst
ixpk= 104, nxpk= 25, iat= 87, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 91, 92,
&end
#
# 6 TYR HN 6 TYR HB- 3.50 (# 105:25 Unique 2.34, 3.03 A)
&rst
ixpk= 105, nxpk= 25, iat= 87, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 91, 92,
&end
#
# 7 PHE HN 6 TYR HB- 4.50 (# 106:25 Unique 2.90, 3.55 A)
&rst
ixpk= 106, nxpk= 25, iat= 108, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 91, 92,
&end
#
# 6 TYR HD 6 TYR HB- 4.50 (# 107:25 Unique 2.33, 3.08 A)
&rst
ixpk= 107, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 95, 104,
igr2= 91, 92,
&end
#
# 79 MET HG- 6 TYR HB- 4.50 (# 111:25 Unique 2.01, 3.52 A)
&rst
ixpk= 111, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1212,1213,
igr2= 91, 92,
&end
#
# 79 MET HB+ 6 TYR HB- 4.50 (# 112:25 Unique 2.29, 3.36 A)
&rst
ixpk= 112, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1209,1210,
igr2= 91, 92,
&end
#
# 103 LEU HG 6 TYR HB- 4.50 (# 113:25 Unique 4.66, 5.30 A)
&rst
ixpk= 113, nxpk= 25, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 91, 92,
&end
#
# 103 LEU HG 6 TYR HB+ 4.50 (# 114:25 Unique 4.66, 5.30 A)
&rst
ixpk= 114, nxpk= 25, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 91, 92,
&end
#
# 79 MET HB- 6 TYR HB+ 5.50 (# 115:25 Unique 2.29, 3.36 A)
&rst
ixpk= 115, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1209,1210,
igr2= 91, 92,
&end
#
# 79 MET HB- 6 TYR HB- 4.50 (# 116:25 Unique 2.29, 3.36 A)
&rst
ixpk= 116, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1209,1210,
igr2= 91, 92,
&end
#
# 32 LEU MDY 7 PHE HA 5.50 (# 117:25 Unique 4.19, 6.40 A)
&rst
ixpk= 117, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 25-2:118 7 PHE HA 5.50 (# 118:25 Single Ambig)
&rst
ixpk= 118, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2188,2189,2190, 192, 193, 194,
&end
#
# 8 PRO HG+ 7 PHE HA 5.50 (# 119:25 Unique 4.27, 4.47 A)
&rst
ixpk= 119, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 132, 133,
&end
#
# 79 MET HB+ 7 PHE HA 5.50 (# 120:25 Unique 2.83, 4.00 A)
&rst
ixpk= 120, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1209,1210,
&end
#
# 8 PRO HB+ 7 PHE HA 5.50 (# 121:25 Unique 4.65, 5.30 A)
&rst
ixpk= 121, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 135, 136,
&end
#
# 0 AMB 25-2:122 7 PHE HA 5.50 (# 122:25 Single Ambig)
&rst
ixpk= 122, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 49, 50,1237,1238,2186,
&end
#
# 0 AMB 25-2:123 7 PHE HA 5.50 (# 123:25 Single Ambig)
&rst
ixpk= 123, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 135, 136,1212,1213,
&end
#
# 7 PHE HB+ 7 PHE HA 2.80 (# 124:25 Unique 2.18, 2.73 A)
&rst
ixpk= 124, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 112, 113,
&end
#
# 8 PRO HD+ 7 PHE HA 2.80 (# 125:25 Unique 2.07, 2.36 A)
&rst
ixpk= 125, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 129, 130,
&end
#
# 0 AMB 25-2:126 7 PHE HA 2.80 (# 126:25 Single Ambig)
&rst
ixpk= 126, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 129, 130, 172, 173,
&end
#
# 11 SER HB- 7 PHE HA 5.50 (# 127:25 Unique 2.72, 3.42 A)
&rst
ixpk= 127, nxpk= 25, iat= -1, 110, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 172, 173,
&end
#
# 7 PHE HN 7 PHE HA 3.50 (# 131:25 Unique 2.92, 2.96 A)
&rst
ixpk= 131, nxpk= 25, iat= 108, 110, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 MET HN 7 PHE HA 4.50 (# 133:25 Unique 2.19, 2.85 A)
&rst
ixpk= 133, nxpk= 25, iat=1205, 110, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 TYR HN 7 PHE HA 5.50 (# 134:25 Unique 4.66, 5.03 A)
&rst
ixpk= 134, nxpk= 25, iat= 87, 110, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:135 0 AMB 25-1:135 3.50 (# 135:25 Double Ambig)
&rst
ixpk= 135, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2188,2189,2190, 192, 193, 194,
igr2= 112, 113, 112, 113,
&end
#
# 7 PHE HA 7 PHE HB+ 3.50 (# 136:25 Unique 2.18, 2.73 A)
&rst
ixpk= 136, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 112, 113,
&end
#
# 7 PHE HN 7 PHE HB+ 2.80 (# 137:25 Unique 2.27, 3.01 A)
&rst
ixpk= 137, nxpk= 25, iat= 108, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 112, 113,
&end
#
# 9 GLU HN 8 PRO HA 3.50 (# 138:25 Unique 2.12, 2.75 A)
&rst
ixpk= 138, nxpk= 25, iat= 142, 138, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 PRO HB- 8 PRO HA 3.50 (# 141:25 Unique 2.22, 2.58 A)
&rst
ixpk= 141, nxpk= 25, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 135, 136,
&end
#
# 8 PRO HB+ 8 PRO HA 3.50 (# 142:25 Unique 2.22, 2.58 A)
&rst
ixpk= 142, nxpk= 25, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 135, 136,
&end
#
# 8 PRO HG+ 8 PRO HA 4.50 (# 143:25 Unique 2.85, 3.76 A)
&rst
ixpk= 143, nxpk= 25, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 132, 133,
&end
#
# 8 PRO HG+ 8 PRO HB- 3.50 (# 144:25 Unique 2.34, 2.63 A)
&rst
ixpk= 144, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 132, 133,
igr2= 135, 136,
&end
#
# 8 PRO HG+ 8 PRO HB+ 2.80 (# 145:25 Unique 2.34, 2.63 A)
&rst
ixpk= 145, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 132, 133,
igr2= 135, 136,
&end
#
# 35 LYS HE+ 8 PRO HB- 4.50 (# 147:25 Unique 2.04, 3.41 A)
&rst
ixpk= 147, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 551, 552,
igr2= 135, 136,
&end
#
# 35 LYS HE+ 8 PRO HB+ 4.50 (# 148:25 Unique 2.04, 3.41 A)
&rst
ixpk= 148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 551, 552,
igr2= 135, 136,
&end
#
# 0 AMB 25-2:149 0 AMB 25-1:149 5.50 (# 149:25 Double Ambig)
&rst
ixpk= 149, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 172, 173, 481, 482,
igr2= 135, 136, 135, 136,
&end
#
# 8 PRO HD+ 8 PRO HB+ 4.50 (# 150:25 Unique 2.72, 3.67 A)
&rst
ixpk= 150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 129, 130,
igr2= 135, 136,
&end
#
# 8 PRO HD+ 8 PRO HB- 4.50 (# 151:25 Unique 2.72, 3.67 A)
&rst
ixpk= 151, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 129, 130,
igr2= 135, 136,
&end
#
# 0 AMB 25-2:153 8 PRO HB- 4.50 (# 153:25 Single Ambig)
&rst
ixpk= 153, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 172, 173, 129, 130,
igr2= 135, 136,
&end
#
# 0 AMB 25-2:154 0 AMB 25-1:154 4.50 (# 154:25 Double Ambig)
&rst
ixpk= 154, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 172, 173, 129, 130,
igr2= 135, 136, 135, 136,
&end
#
# 8 PRO HA 8 PRO HB- 3.50 (# 155:25 Unique 2.22, 2.58 A)
&rst
ixpk= 155, nxpk= 25, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 135, 136,
&end
#
# 8 PRO HA 8 PRO HB+ 3.50 (# 156:25 Unique 2.22, 2.58 A)
&rst
ixpk= 156, nxpk= 25, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 135, 136,
&end
#
# 7 PHE HA 8 PRO HB+ 5.50 (# 159:25 Unique 4.65, 5.30 A)
&rst
ixpk= 159, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 135, 136,
&end
#
# 37 TYR HD 8 PRO HB+ 5.50 (# 160:25 Unique 4.32, 6.17 A)
&rst
ixpk= 160, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 582, 591,
igr2= 135, 136,
&end
#
# 9 GLU HN 8 PRO HB- 4.50 (# 161:25 Unique 1.82, 2.70 A)
&rst
ixpk= 161, nxpk= 25, iat= 142, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 135, 136,
&end
#
# 9 GLU HN 8 PRO HB+ 4.50 (# 162:25 Unique 1.82, 2.70 A)
&rst
ixpk= 162, nxpk= 25, iat= 142, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 135, 136,
&end
#
# 8 PRO HA 8 PRO HG+ 4.50 (# 164:25 Unique 2.85, 3.76 A)
&rst
ixpk= 164, nxpk= 25, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 132, 133,
&end
#
# 11 SER HA 8 PRO HG+ 5.50 (# 165:25 Unique 2.49, 4.21 A)
&rst
ixpk= 165, nxpk= 25, iat= 170, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 132, 133,
&end
#
# 0 AMB 25-2:166 0 AMB 25-1:166 2.80 (# 166:25 Double Ambig)
&rst
ixpk= 166, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 129, 130, 172, 173,
igr2= 132, 133, 132, 133,
&end
#
# 8 PRO HD+ 8 PRO HG+ 2.80 (# 167:25 Unique 2.23, 2.60 A)
&rst
ixpk= 167, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 129, 130,
igr2= 132, 133,
&end
#
# 0 AMB 25-2:168 0 AMB 25-1:168 3.50 (# 168:25 Double Ambig)
&rst
ixpk= 168, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 172, 173, 481, 482,
igr2= 132, 133, 132, 133,
&end
#
# 8 PRO HB- 8 PRO HG+ 3.50 (# 169:25 Unique 2.34, 2.63 A)
&rst
ixpk= 169, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 135, 136,
igr2= 132, 133,
&end
#
# 8 PRO HB+ 8 PRO HG+ 2.80 (# 170:25 Unique 2.34, 2.63 A)
&rst
ixpk= 170, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 135, 136,
igr2= 132, 133,
&end
#
# 7 PHE HA 8 PRO HG+ 4.50 (# 171:25 Unique 4.27, 4.47 A)
&rst
ixpk= 171, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 132, 133,
&end
#
# 7 PHE HA 8 PRO HD- 3.50 (# 172:25 Unique 2.07, 2.36 A)
&rst
ixpk= 172, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 129, 130,
&end
#
# 11 SER HB- 8 PRO HD- 4.50 (# 175:25 Unique 2.04, 3.44 A)
&rst
ixpk= 175, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 172, 173,
igr2= 129, 130,
&end
#
# 7 PHE HB+ 8 PRO HD- 4.50 (# 176:25 Unique 2.83, 4.46 A)
&rst
ixpk= 176, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 112, 113,
igr2= 129, 130,
&end
#
# 8 PRO HB- 8 PRO HD- 4.50 (# 177:25 Unique 2.72, 3.67 A)
&rst
ixpk= 177, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 135, 136,
igr2= 129, 130,
&end
#
# 8 PRO HB+ 8 PRO HD- 5.50 (# 178:25 Unique 2.72, 3.67 A)
&rst
ixpk= 178, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 135, 136,
igr2= 129, 130,
&end
#
# 8 PRO HG+ 8 PRO HD- 2.80 (# 179:25 Unique 2.23, 2.60 A)
&rst
ixpk= 179, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 132, 133,
igr2= 129, 130,
&end
#
# 32 LEU MDY 8 PRO HD- 4.50 (# 180:25 Unique 2.82, 5.43 A)
&rst
ixpk= 180, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 129, 130,
&end
#
# 32 LEU MDY 8 PRO HD+ 5.50 (# 181:25 Unique 2.82, 5.43 A)
&rst
ixpk= 181, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 129, 130,
&end
#
# 8 PRO HG+ 8 PRO HD+ 2.80 (# 182:25 Unique 2.23, 2.60 A)
&rst
ixpk= 182, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 132, 133,
igr2= 129, 130,
&end
#
# 8 PRO HB- 8 PRO HD+ 4.50 (# 183:25 Unique 2.72, 3.67 A)
&rst
ixpk= 183, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 135, 136,
igr2= 129, 130,
&end
#
# 7 PHE HB+ 8 PRO HD+ 5.50 (# 184:25 Unique 2.83, 4.46 A)
&rst
ixpk= 184, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 112, 113,
igr2= 129, 130,
&end
#
# 7 PHE HA 8 PRO HD+ 3.50 (# 186:25 Unique 2.07, 2.36 A)
&rst
ixpk= 186, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 129, 130,
&end
#
# 7 PHE HN 8 PRO HD- 5.50 (# 187:25 Unique 4.19, 4.82 A)
&rst
ixpk= 187, nxpk= 25, iat= 108, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 129, 130,
&end
#
# 79 MET HN 8 PRO HD- 4.50 (# 188:25 Unique 2.31, 3.16 A)
&rst
ixpk= 188, nxpk= 25, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 129, 130,
&end
#
# 79 MET HN 8 PRO HD+ 4.50 (# 189:25 Unique 2.31, 3.16 A)
&rst
ixpk= 189, nxpk= 25, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 129, 130,
&end
#
# 7 PHE HN 8 PRO HD+ 5.50 (# 190:25 Unique 4.19, 4.82 A)
&rst
ixpk= 190, nxpk= 25, iat= 108, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 129, 130,
&end
#
# 9 GLU HN 9 GLU HA 3.50 (# 191:25 Unique 2.27, 2.91 A)
&rst
ixpk= 191, nxpk= 25, iat= 142, 144, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 SER HN 9 GLU HA 3.50 (# 192:25 Unique 2.34, 3.11 A)
&rst
ixpk= 192, nxpk= 25, iat= 157, 144, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 SER HN 9 GLU HA 3.50 (# 193:25 Unique 2.93, 3.38 A)
&rst
ixpk= 193, nxpk= 25, iat= 168, 144, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:195 0 AMB 25-1:195 2.80 (# 195:25 Double Ambig)
&rst
ixpk= 195, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2112,2113, 149, 150,
igr2=2107, 144,
&end
#
# 9 GLU HB+ 9 GLU HA 2.80 (# 196:25 Unique 2.35, 2.76 A)
&rst
ixpk= 196, nxpk= 25, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 146, 147,
&end
#
# 9 GLU HN 9 GLU HB+ 2.80 (# 197:25 Unique 2.10, 2.64 A)
&rst
ixpk= 197, nxpk= 25, iat= 142, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 146, 147,
&end
#
# 10 SER HN 9 GLU HB+ 3.50 (# 198:25 Unique 2.16, 3.36 A)
&rst
ixpk= 198, nxpk= 25, iat= 157, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 146, 147,
&end
#
# 95 GLU HA 0 AMB 25-1:199 2.80 (# 199:25 Single Ambig)
&rst
ixpk= 199, nxpk= 25, iat=1449, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1451,1452,1451,1452,
&end
#
# 8 PRO HA 9 GLU HB+ 4.50 (# 201:25 Unique 4.09, 4.86 A)
&rst
ixpk= 201, nxpk= 25, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 146, 147,
&end
#
# 9 GLU HA 9 GLU HB+ 2.80 (# 202:25 Unique 2.35, 2.76 A)
&rst
ixpk= 202, nxpk= 25, iat= 144, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 146, 147,
&end
#
# 35 LYS HE+ 9 GLU HB+ 3.50 (# 203:25 Unique 2.69, 4.71 A)
&rst
ixpk= 203, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 551, 552,
igr2= 146, 147,
&end
#
# 10 SER HN 9 GLU HG+ 4.50 (# 205:25 Unique 1.82, 3.03 A)
&rst
ixpk= 205, nxpk= 25, iat= 157, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 149, 150,
&end
#
# 138 LYS HN 137 GLU HG+ 4.50 (# 206:25 Unique 3.97, 4.92 A)
&rst
ixpk= 206, nxpk= 25, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2075,2076,
&end
#
# 10 SER HA 9 GLU HG+ 3.50 (# 208:25 Unique 3.48, 4.14 A)
&rst
ixpk= 208, nxpk= 25, iat= 159, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 149, 150,
&end
#
# 137 GLU HA 137 GLU HG+ 3.50 (# 210:25 Unique 2.39, 2.96 A)
&rst
ixpk= 210, nxpk= 25, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2075,2076,
&end
#
# 35 LYS HE+ 9 GLU HG+ 4.50 (# 211:25 Unique 4.82, 6.01 A)
&rst
ixpk= 211, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 551, 552,
igr2= 149, 150,
&end
#
# 12 ILE QG2 137 GLU HG+ 2.80 (# 212:25 Unique 2.08, 3.69 A)
&rst
ixpk= 212, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 185, 186, 187,
igr2=2075,2076,
&end
#
# 14 VAL MGY 137 GLU HG+ 3.50 (# 213:25 Unique 2.20, 5.41 A)
&rst
ixpk= 213, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 215, 216, 217, 219, 220, 221,
igr2=2075,2076,
&end
#
# 11 SER HN 10 SER HA 3.50 (# 215:25 Unique 2.75, 3.05 A)
&rst
ixpk= 215, nxpk= 25, iat= 168, 159, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ILE HN 10 SER HA 3.50 (# 216:25 Unique 3.22, 3.48 A)
&rst
ixpk= 216, nxpk= 25, iat= 179, 159, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 144 ILE QG2 145 SER HA 4.50 (# 220:25 Unique 3.01, 4.11 A)
&rst
ixpk= 220, nxpk= 25, iat= -1,2203, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2188,2189,2190,
&end
#
# 10 SER HN 10 SER HB+ 3.50 (# 221:25 Unique 2.63, 3.39 A)
&rst
ixpk= 221, nxpk= 25, iat= 157, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 161, 162,
&end
#
# 0 AMB 25-2:222 0 AMB 25-1:222 4.50 (# 222:25 Double Ambig)
&rst
ixpk= 222, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 168, 477,
igr2= 161, 162, 161, 162,
&end
#
# 10 SER HA 10 SER HB+ 2.80 (# 224:25 Unique 2.36, 2.71 A)
&rst
ixpk= 224, nxpk= 25, iat= 159, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 161, 162,
&end
#
# 35 LYS HE+ 10 SER HB+ 3.50 (# 225:25 Unique 2.27, 4.18 A)
&rst
ixpk= 225, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 551, 552,
igr2= 161, 162,
&end
#
# 9 GLU HG+ 10 SER HB+ 5.50 (# 226:25 Unique 3.62, 5.48 A)
&rst
ixpk= 226, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 149, 150,
igr2= 161, 162,
&end
#
# 81 LEU HN 11 SER HA 5.50 (# 227:25 Unique 4.12, 4.26 A)
&rst
ixpk= 227, nxpk= 25, iat=1233, 170, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 SER HN 11 SER HA 3.50 (# 228:25 Unique 2.78, 2.82 A)
&rst
ixpk= 228, nxpk= 25, iat= 168, 170, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ILE HN 11 SER HA 3.50 (# 229:25 Unique 3.20, 3.41 A)
&rst
ixpk= 229, nxpk= 25, iat= 179, 170, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ILE HA 11 SER HA 5.50 (# 230:25 Unique 4.55, 4.66 A)
&rst
ixpk= 230, nxpk= 25, iat= 181, 170, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 SER HA 11 SER HA 4.50 (# 232:25 Unique 3.16, 3.54 A)
&rst
ixpk= 232, nxpk= 25, iat=1224, 170, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:234 11 SER HA 3.50 (# 234:25 Single Ambig)
&rst
ixpk= 234, nxpk= 25, iat= -1, 170, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 172, 173, 129, 130,
&end
#
# 31 SER HB- 11 SER HA 3.50 (# 235:25 Unique 1.96, 2.46 A)
&rst
ixpk= 235, nxpk= 25, iat= -1, 170, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 481, 482,
&end
#
# 0 AMB 25-2:236 11 SER HA 2.80 (# 236:25 Single Ambig)
&rst
ixpk= 236, nxpk= 25, iat= -1, 170, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 481, 482, 172, 173,
&end
#
# 0 AMB 25-2:237 11 SER HA 5.50 (# 237:25 Single Ambig)
&rst
ixpk= 237, nxpk= 25, iat= -1, 170, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 183,1237,1238, 548, 549,
&end
#
# 8 PRO HG+ 11 SER HA 5.50 (# 238:25 Unique 2.49, 4.21 A)
&rst
ixpk= 238, nxpk= 25, iat= -1, 170, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 132, 133,
&end
#
# 81 LEU HN 11 SER HB+ 5.50 (# 239:25 Unique 3.43, 4.38 A)
&rst
ixpk= 239, nxpk= 25, iat=1233, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 172, 173,
&end
#
# 81 LEU HN 11 SER HB- 5.50 (# 240:25 Unique 3.43, 4.38 A)
&rst
ixpk= 240, nxpk= 25, iat=1233, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 172, 173,
&end
#
# 11 SER HN 11 SER HB+ 4.50 (# 241:25 Unique 2.28, 3.06 A)
&rst
ixpk= 241, nxpk= 25, iat= 168, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 172, 173,
&end
#
# 11 SER HN 11 SER HB- 4.50 (# 242:25 Unique 2.28, 3.06 A)
&rst
ixpk= 242, nxpk= 25, iat= 168, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 172, 173,
&end
#
# 0 AMB 25-2:243 0 AMB 25-1:243 5.50 (# 243:25 Double Ambig)
&rst
ixpk= 243, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 179,1205,
igr2= 172, 173, 172, 173,
&end
#
# 7 PHE HD 11 SER HB+ 5.50 (# 244:25 Unique 2.13, 4.41 A)
&rst
ixpk= 244, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 116, 124,
igr2= 172, 173,
&end
#
# 7 PHE HD 11 SER HB- 5.50 (# 245:25 Unique 2.13, 4.41 A)
&rst
ixpk= 245, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 116, 124,
igr2= 172, 173,
&end
#
# 80 SER HA 11 SER HB+ 4.50 (# 246:25 Unique 2.07, 3.18 A)
&rst
ixpk= 246, nxpk= 25, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 172, 173,
&end
#
# 7 PHE HA 11 SER HB+ 5.50 (# 247:25 Unique 2.72, 3.42 A)
&rst
ixpk= 247, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 172, 173,
&end
#
# 80 SER HA 11 SER HB- 4.50 (# 248:25 Unique 2.07, 3.18 A)
&rst
ixpk= 248, nxpk= 25, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 172, 173,
&end
#
# 7 PHE HA 11 SER HB- 4.50 (# 249:25 Unique 2.72, 3.42 A)
&rst
ixpk= 249, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 172, 173,
&end
#
# 11 SER HA 11 SER HB+ 3.50 (# 253:25 Unique 2.23, 2.46 A)
&rst
ixpk= 253, nxpk= 25, iat= 170, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 172, 173,
&end
#
# 11 SER HA 11 SER HB- 3.50 (# 254:25 Unique 2.23, 2.46 A)
&rst
ixpk= 254, nxpk= 25, iat= 170, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 172, 173,
&end
#
# 80 SER HB+ 11 SER HB- 4.50 (# 255:25 Unique 3.72, 4.90 A)
&rst
ixpk= 255, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1226,1227,
igr2= 172, 173,
&end
#
# 8 PRO HG+ 11 SER HB+ 4.50 (# 259:25 Unique 2.28, 4.44 A)
&rst
ixpk= 259, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 132, 133,
igr2= 172, 173,
&end
#
# 32 LEU MDY 11 SER HB- 5.50 (# 261:25 Unique 5.01, 7.35 A)
&rst
ixpk= 261, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 172, 173,
&end
#
# 32 LEU MDY 11 SER HB+ 5.50 (# 262:25 Unique 5.01, 7.35 A)
&rst
ixpk= 262, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 172, 173,
&end
#
# 0 AMB 25-2:263 12 ILE HA 2.80 (# 263:25 Single Ambig)
&rst
ixpk= 263, nxpk= 25, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 198,1233,
&end
#
# 12 ILE HN 12 ILE HA 4.50 (# 264:25 Unique 2.91, 2.96 A)
&rst
ixpk= 264, nxpk= 25, iat= 179, 181, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 THR HA 12 ILE HA 4.50 (# 266:25 Unique 3.67, 4.05 A)
&rst
ixpk= 266, nxpk= 25, iat=1254, 181, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:267 12 ILE HA 5.50 (# 267:25 Single Ambig)
&rst
ixpk= 267, nxpk= 25, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 200, 211,
&end
#
# 13 SER HB+ 12 ILE HA 5.50 (# 269:25 Unique 4.52, 5.18 A)
&rst
ixpk= 269, nxpk= 25, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 202, 203,
&end
#
# 0 AMB 25-2:270 12 ILE HA 5.50 (# 270:25 Single Ambig)
&rst
ixpk= 270, nxpk= 25, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1226,1227, 202, 203,
&end
#
# 0 AMB 25-2:271 12 ILE HA 2.80 (# 271:25 Single Ambig)
&rst
ixpk= 271, nxpk= 25, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1237,1238, 183,
&end
#
# 81 LEU HB+ 12 ILE HA 4.50 (# 272:25 Unique 2.62, 3.58 A)
&rst
ixpk= 272, nxpk= 25, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1237,1238,
&end
#
# 12 ILE QG2 12 ILE HA 2.80 (# 273:25 Unique 2.53, 3.47 A)
&rst
ixpk= 273, nxpk= 25, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 185, 186, 187,
&end
#
# 12 ILE QD1 12 ILE HA 3.50 (# 274:25 Unique 3.75, 4.36 A)
&rst
ixpk= 274, nxpk= 25, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 192, 193, 194,
&end
#
# 12 ILE QD1 12 ILE HB 3.50 (# 275:25 Unique 2.26, 2.85 A)
&rst
ixpk= 275, nxpk= 25, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 192, 193, 194,
&end
#
# 12 ILE QG2 12 ILE HB 2.80 (# 276:25 Unique 2.33, 2.62 A)
&rst
ixpk= 276, nxpk= 25, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 185, 186, 187,
&end
#
# 12 ILE HA 12 ILE HB 3.50 (# 277:25 Unique 2.95, 2.99 A)
&rst
ixpk= 277, nxpk= 25, iat= 181, 183, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ILE HN 12 ILE HB 2.80 (# 278:25 Unique 2.34, 2.44 A)
&rst
ixpk= 278, nxpk= 25, iat= 179, 183, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 11 SER HN 12 ILE HB 5.50 (# 279:25 Unique 3.86, 4.29 A)
&rst
ixpk= 279, nxpk= 25, iat= 168, 183, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:280 12 ILE HB 4.50 (# 280:25 Single Ambig)
&rst
ixpk= 280, nxpk= 25, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 198,1233,
&end
#
# 0 AMB 25-2:281 0 AMB 25-1:281 4.50 (# 281:25 Double Ambig)
&rst
ixpk= 281, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1233,1252, 198,
igr2= 189, 190,1240,
&end
#
# 83 LEU HN 0 AMB 25-1:282 5.50 (# 282:25 Single Ambig)
&rst
ixpk= 282, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1240, 189, 190,
&end
#
# 12 ILE HA 12 ILE HG1- 3.50 (# 283:25 Unique 2.14, 2.56 A)
&rst
ixpk= 283, nxpk= 25, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 189, 190,
&end
#
# 144 ILE QD1 81 LEU HG 5.50 (# 285:25 Unique 2.88, 4.56 A)
&rst
ixpk= 285, nxpk= 25, iat= -1,1240, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2195,2196,2197,
&end
#
# 0 AMB 25-2:286 12 ILE QD1 4.50 (# 286:25 Single Ambig)
&rst
ixpk= 286, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1233, 198,
igr2= 192, 193, 194,
&end
#
# 141 ALA HN 12 ILE QD1 4.50 (# 287:25 Unique 2.53, 3.99 A)
&rst
ixpk= 287, nxpk= 25, iat=2141, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 192, 193, 194,
&end
#
# 12 ILE HN 12 ILE QD1 4.50 (# 288:25 Unique 2.68, 4.52 A)
&rst
ixpk= 288, nxpk= 25, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 192, 193, 194,
&end
#
# 7 PHE HD 12 ILE QD1 4.50 (# 289:25 Unique 2.41, 5.56 A)
&rst
ixpk= 289, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 116, 124,
igr2= 192, 193, 194,
&end
#
# 12 ILE HA 12 ILE QD1 4.50 (# 290:25 Unique 3.75, 4.36 A)
&rst
ixpk= 290, nxpk= 25, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 192, 193, 194,
&end
#
# 141 ALA HA 12 ILE QD1 3.50 (# 291:25 Unique 2.29, 3.04 A)
&rst
ixpk= 291, nxpk= 25, iat=2143, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 192, 193, 194,
&end
#
# 7 PHE HB+ 12 ILE QD1 4.50 (# 292:25 Unique 3.08, 5.15 A)
&rst
ixpk= 292, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 112, 113,
igr2= 192, 193, 194,
&end
#
# 0 AMB 25-2:293 12 ILE QD1 2.80 (# 293:25 Single Ambig)
&rst
ixpk= 293, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 183,1237,1238,
igr2= 192, 193, 194,
&end
#
# 141 ALA MB 12 ILE QD1 3.50 (# 294:25 Unique 2.19, 4.08 A)
&rst
ixpk= 294, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2145,2146,2147,
igr2= 192, 193, 194,
&end
#
# 144 ILE QD1 12 ILE QD1 3.50 (# 297:25 Unique 3.10, 5.43 A)
&rst
ixpk= 297, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2195,2196,2197,
igr2= 192, 193, 194,
&end
#
# 12 ILE HG1- 12 ILE QD1 2.80 (# 298:25 Unique 2.34, 2.66 A)
&rst
ixpk= 298, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 189, 190,
igr2= 192, 193, 194,
&end
#
# 0 AMB 25-2:299 12 ILE QD1 2.80 (# 299:25 Single Ambig)
&rst
ixpk= 299, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 185, 186, 187,1242,1243,1244,1246,1247,1248,
igr2= 192, 193, 194,
&end
#
# 12 ILE QD1 12 ILE QG2 2.80 (# 300:25 Unique 2.28, 4.11 A)
&rst
ixpk= 300, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 192, 193, 194,
igr2= 185, 186, 187,
&end
#
# 81 LEU HB+ 12 ILE QG2 3.50 (# 302:25 Unique 2.57, 4.98 A)
&rst
ixpk= 302, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1237,1238,
igr2= 185, 186, 187,
&end
#
# 0 AMB 25-2:303 12 ILE QG2 2.80 (# 303:25 Single Ambig)
&rst
ixpk= 303, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 183,1237,1238,
igr2= 185, 186, 187,
&end
#
# 137 GLU HA 12 ILE QG2 2.80 (# 305:25 Unique 2.34, 3.19 A)
&rst
ixpk= 305, nxpk= 25, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 185, 186, 187,
&end
#
# 13 SER HA 12 ILE QG2 4.50 (# 306:25 Unique 2.92, 3.95 A)
&rst
ixpk= 306, nxpk= 25, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 185, 186, 187,
&end
#
# 12 ILE HA 12 ILE QG2 3.50 (# 307:25 Unique 2.53, 3.47 A)
&rst
ixpk= 307, nxpk= 25, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 185, 186, 187,
&end
#
# 140 LEU HN 12 ILE QG2 4.50 (# 308:25 Unique 3.80, 4.63 A)
&rst
ixpk= 308, nxpk= 25, iat=2122, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 185, 186, 187,
&end
#
# 12 ILE HN 12 ILE QG2 4.50 (# 309:25 Unique 3.77, 4.41 A)
&rst
ixpk= 309, nxpk= 25, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 185, 186, 187,
&end
#
# 141 ALA HN 12 ILE QG2 4.50 (# 310:25 Unique 2.41, 4.03 A)
&rst
ixpk= 310, nxpk= 25, iat=2141, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 185, 186, 187,
&end
#
# 13 SER HN 12 ILE QG2 3.50 (# 311:25 Unique 2.52, 3.42 A)
&rst
ixpk= 311, nxpk= 25, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 185, 186, 187,
&end
#
# 13 SER HN 13 SER HA 4.50 (# 312:25 Unique 2.84, 2.87 A)
&rst
ixpk= 312, nxpk= 25, iat= 198, 200, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 VAL HN 13 SER HA 2.80 (# 313:25 Unique 2.15, 2.28 A)
&rst
ixpk= 313, nxpk= 25, iat= 209, 200, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 ILE HA 13 SER HA 5.50 (# 314:25 Unique 4.41, 4.49 A)
&rst
ixpk= 314, nxpk= 25, iat= 181, 200, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 SER HB+ 13 SER HA 3.50 (# 315:25 Unique 2.39, 2.79 A)
&rst
ixpk= 315, nxpk= 25, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 202, 203,
&end
#
# 13 SER HB- 13 SER HA 3.50 (# 316:25 Unique 2.39, 2.79 A)
&rst
ixpk= 316, nxpk= 25, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 202, 203,
&end
#
# 137 GLU HG- 13 SER HA 4.50 (# 317:25 Unique 2.15, 2.75 A)
&rst
ixpk= 317, nxpk= 25, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2075,2076,
&end
#
# 137 GLU HG+ 13 SER HA 4.50 (# 318:25 Unique 2.15, 2.75 A)
&rst
ixpk= 318, nxpk= 25, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2075,2076,
&end
#
# 137 GLU HB+ 13 SER HA 4.50 (# 319:25 Unique 3.55, 4.29 A)
&rst
ixpk= 319, nxpk= 25, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2072,2073,
&end
#
# 14 VAL HB 13 SER HA 4.50 (# 320:25 Unique 4.37, 4.58 A)
&rst
ixpk= 320, nxpk= 25, iat= 213, 200, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 ILE QG2 13 SER HA 4.50 (# 321:25 Unique 2.92, 3.95 A)
&rst
ixpk= 321, nxpk= 25, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 185, 186, 187,
&end
#
# 0 AMB 25-2:322 13 SER HA 4.50 (# 322:25 Single Ambig)
&rst
ixpk= 322, nxpk= 25, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 215, 216, 217, 219, 220, 221,2131,2132,2133,2135,
2136,2137,
&end
#
# 15 ILE QD1 13 SER HB+ 4.50 (# 324:25 Unique 3.34, 4.68 A)
&rst
ixpk= 324, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 238, 239, 240,
igr2= 202, 203,
&end
#
# 15 ILE QD1 13 SER HB- 4.50 (# 325:25 Unique 3.34, 4.68 A)
&rst
ixpk= 325, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 238, 239, 240,
igr2= 202, 203,
&end
#
# 0 AMB 25-2:326 0 AMB 25-1:326 4.50 (# 326:25 Double Ambig)
&rst
ixpk= 326, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 215, 216, 217, 219, 220, 221,2131,2132,2133,2135,
2136,2137,
igr2= 202, 203, 202, 203,
&end
#
# 15 ILE HG1+ 13 SER HB+ 4.50 (# 327:25 Unique 2.64, 3.86 A)
&rst
ixpk= 327, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 235, 236,
igr2= 202, 203,
&end
#
# 0 AMB 25-2:328 13 SER HB- 5.50 (# 328:25 Single Ambig)
&rst
ixpk= 328, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 215, 216, 217, 219, 220, 221,2131,2132,2133,2135,
2136,2137,
igr2= 202, 203,
&end
#
# 15 ILE HG1+ 13 SER HB- 4.50 (# 329:25 Unique 2.64, 3.86 A)
&rst
ixpk= 329, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 235, 236,
igr2= 202, 203,
&end
#
# 82 THR MG2 13 SER HB+ 4.50 (# 330:25 Unique 3.15, 5.49 A)
&rst
ixpk= 330, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1258,1259,1260,
igr2= 202, 203,
&end
#
# 82 THR MG2 13 SER HB- 4.50 (# 331:25 Unique 3.15, 5.49 A)
&rst
ixpk= 331, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1258,1259,1260,
igr2= 202, 203,
&end
#
# 13 SER HA 13 SER HB+ 3.50 (# 337:25 Unique 2.39, 2.79 A)
&rst
ixpk= 337, nxpk= 25, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 202, 203,
&end
#
# 13 SER HA 13 SER HB- 3.50 (# 338:25 Unique 2.39, 2.79 A)
&rst
ixpk= 338, nxpk= 25, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 202, 203,
&end
#
# 82 THR HA 13 SER HB+ 5.50 (# 339:25 Unique 3.43, 4.73 A)
&rst
ixpk= 339, nxpk= 25, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 202, 203,
&end
#
# 82 THR HA 13 SER HB- 5.50 (# 340:25 Unique 3.43, 4.73 A)
&rst
ixpk= 340, nxpk= 25, iat=1254, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 202, 203,
&end
#
# 12 ILE HA 13 SER HB+ 5.50 (# 341:25 Unique 4.52, 5.18 A)
&rst
ixpk= 341, nxpk= 25, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 202, 203,
&end
#
# 12 ILE HA 13 SER HB- 5.50 (# 342:25 Unique 4.52, 5.18 A)
&rst
ixpk= 342, nxpk= 25, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 202, 203,
&end
#
# 14 VAL HN 13 SER HB+ 3.50 (# 343:25 Unique 2.58, 3.43 A)
&rst
ixpk= 343, nxpk= 25, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 202, 203,
&end
#
# 14 VAL HN 13 SER HB- 3.50 (# 344:25 Unique 2.58, 3.43 A)
&rst
ixpk= 344, nxpk= 25, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 202, 203,
&end
#
# 83 LEU HN 13 SER HB+ 5.50 (# 345:25 Unique 4.24, 5.07 A)
&rst
ixpk= 345, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 202, 203,
&end
#
# 83 LEU HN 13 SER HB- 5.50 (# 346:25 Unique 4.24, 5.07 A)
&rst
ixpk= 346, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 202, 203,
&end
#
# 13 SER HN 13 SER HB+ 4.50 (# 347:25 Unique 2.89, 3.48 A)
&rst
ixpk= 347, nxpk= 25, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 202, 203,
&end
#
# 13 SER HN 13 SER HB- 4.50 (# 348:25 Unique 2.89, 3.48 A)
&rst
ixpk= 348, nxpk= 25, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 202, 203,
&end
#
# 15 ILE HN 14 VAL HA 2.80 (# 349:25 Unique 2.17, 2.21 A)
&rst
ixpk= 349, nxpk= 25, iat= 225, 211, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 LEU HN 14 VAL HA 3.50 (# 350:25 Unique 2.62, 2.79 A)
&rst
ixpk= 350, nxpk= 25, iat=1266, 211, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 VAL HN 14 VAL HA 4.50 (# 351:25 Unique 2.93, 2.98 A)
&rst
ixpk= 351, nxpk= 25, iat= 209, 211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:352 14 VAL HA 3.50 (# 352:25 Single Ambig)
&rst
ixpk= 352, nxpk= 25, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1270,1271, 213,
&end
#
# 15 ILE HB 14 VAL HA 4.50 (# 353:25 Unique 3.88, 4.04 A)
&rst
ixpk= 353, nxpk= 25, iat= 229, 211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 LEU HB- 14 VAL HA 4.50 (# 354:25 Unique 2.28, 3.21 A)
&rst
ixpk= 354, nxpk= 25, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1270,1271,
&end
#
# 82 THR MG2 14 VAL HA 4.50 (# 355:25 Unique 4.30, 5.49 A)
&rst
ixpk= 355, nxpk= 25, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1258,1259,1260,
&end
#
# 14 VAL MGY 14 VAL HA 2.80 (# 356:25 Unique 2.47, 3.17 A)
&rst
ixpk= 356, nxpk= 25, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 215, 216, 217, 219, 220, 221,
&end
#
# 14 VAL MGX 14 VAL HB 2.80 (# 358:25 Unique 2.41, 2.67 A)
&rst
ixpk= 358, nxpk= 25, iat= -1, 213, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 215, 216, 217, 219, 220, 221,
&end
#
# 14 VAL MGY 14 VAL HB 2.80 (# 359:25 Unique 2.41, 2.67 A)
&rst
ixpk= 359, nxpk= 25, iat= -1, 213, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 215, 216, 217, 219, 220, 221,
&end
#
# 0 AMB 25-2:360 14 VAL HB 3.50 (# 360:25 Single Ambig)
&rst
ixpk= 360, nxpk= 25, iat= -1, 213, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 211, 200,
&end
#
# 14 VAL HN 14 VAL HB 2.80 (# 361:25 Unique 2.45, 2.54 A)
&rst
ixpk= 361, nxpk= 25, iat= 209, 213, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 15 ILE HN 14 VAL HB 4.50 (# 362:25 Unique 3.93, 4.14 A)
&rst
ixpk= 362, nxpk= 25, iat= 225, 213, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 137 GLU HN 14 VAL HB 5.50 (# 363:25 Unique 3.50, 3.90 A)
&rst
ixpk= 363, nxpk= 25, iat=2068, 213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 ILE HN 15 ILE HA 3.50 (# 364:25 Unique 2.97, 2.97 A)
&rst
ixpk= 364, nxpk= 25, iat= 225, 227, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 HIS HN 15 ILE HA 2.80 (# 365:25 Unique 2.13, 2.20 A)
&rst
ixpk= 365, nxpk= 25, iat= 244, 227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 17 SER HN 15 ILE HA 5.50 (# 366:25 Unique 3.89, 4.05 A)
&rst
ixpk= 366, nxpk= 25, iat= 261, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 HIS HB+ 15 ILE HA 4.50 (# 367:25 Unique 4.21, 4.91 A)
&rst
ixpk= 367, nxpk= 25, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 248, 249,
&end
#
# 15 ILE HB 15 ILE HA 3.50 (# 368:25 Unique 3.01, 3.03 A)
&rst
ixpk= 368, nxpk= 25, iat= 229, 227, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 ILE HG1- 15 ILE HA 4.50 (# 369:25 Unique 2.20, 2.71 A)
&rst
ixpk= 369, nxpk= 25, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 235, 236,
&end
#
# 15 ILE HG1+ 15 ILE HA 3.50 (# 370:25 Unique 2.20, 2.71 A)
&rst
ixpk= 370, nxpk= 25, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 235, 236,
&end
#
# 15 ILE QG2 15 ILE HA 2.80 (# 371:25 Unique 2.68, 3.40 A)
&rst
ixpk= 371, nxpk= 25, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 231, 232, 233,
&end
#
# 15 ILE QD1 15 ILE HA 4.50 (# 372:25 Unique 2.45, 4.40 A)
&rst
ixpk= 372, nxpk= 25, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 238, 239, 240,
&end
#
# 15 ILE QD1 15 ILE HB 3.50 (# 373:25 Unique 2.67, 3.39 A)
&rst
ixpk= 373, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 238, 239, 240,
&end
#
# 15 ILE QG2 15 ILE HB 2.80 (# 374:25 Unique 2.32, 2.62 A)
&rst
ixpk= 374, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 231, 232, 233,
&end
#
# 84 LEU MDX 15 ILE HB 2.80 (# 375:25 Unique 2.11, 3.86 A)
&rst
ixpk= 375, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 15 ILE HG1+ 15 ILE HB 2.80 (# 376:25 Unique 2.29, 2.67 A)
&rst
ixpk= 376, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 235, 236,
&end
#
# 15 ILE HG1- 15 ILE HB 2.80 (# 377:25 Unique 2.29, 2.67 A)
&rst
ixpk= 377, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 235, 236,
&end
#
# 15 ILE HA 15 ILE HB 3.50 (# 378:25 Unique 3.01, 3.03 A)
&rst
ixpk= 378, nxpk= 25, iat= 227, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 VAL HA 15 ILE HB 4.50 (# 379:25 Unique 3.88, 4.04 A)
&rst
ixpk= 379, nxpk= 25, iat= 211, 229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 LEU HA 15 ILE HB 4.50 (# 380:25 Unique 2.61, 3.11 A)
&rst
ixpk= 380, nxpk= 25, iat=1287, 229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 SER HN 15 ILE HB 5.50 (# 381:25 Unique 4.24, 4.56 A)
&rst
ixpk= 381, nxpk= 25, iat= 261, 229, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 HIS HN 15 ILE HB 4.50 (# 382:25 Unique 4.17, 4.33 A)
&rst
ixpk= 382, nxpk= 25, iat= 244, 229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 ILE HN 15 ILE HG1+ 4.50 (# 384:25 Unique 3.14, 3.76 A)
&rst
ixpk= 384, nxpk= 25, iat= 225, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 235, 236,
&end
#
# 15 ILE HN 15 ILE HG1- 4.50 (# 385:25 Unique 3.14, 3.76 A)
&rst
ixpk= 385, nxpk= 25, iat= 225, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 235, 236,
&end
#
# 3 LEU HN 3 LEU HG 4.50 (# 386:25 Unique 2.15, 3.72 A)
&rst
ixpk= 386, nxpk= 25, iat= 45, 52, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:387 0 AMB 25-1:387 5.50 (# 387:25 Double Ambig)
&rst
ixpk= 387, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1266, 64,
igr2= 235, 236, 52,
&end
#
# 15 ILE HA 15 ILE HG1- 4.50 (# 388:25 Unique 2.20, 2.71 A)
&rst
ixpk= 388, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 235, 236,
&end
#
# 15 ILE HA 15 ILE HG1+ 3.50 (# 389:25 Unique 2.20, 2.71 A)
&rst
ixpk= 389, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 235, 236,
&end
#
# 15 ILE QD1 15 ILE HG1- 2.80 (# 390:25 Unique 2.39, 2.67 A)
&rst
ixpk= 390, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 238, 239, 240,
igr2= 235, 236,
&end
#
# 15 ILE QD1 15 ILE HG1+ 2.80 (# 391:25 Unique 2.39, 2.67 A)
&rst
ixpk= 391, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 238, 239, 240,
igr2= 235, 236,
&end
#
# 0 AMB 25-2:394 3 LEU HG 5.50 (# 394:25 Single Ambig)
&rst
ixpk= 394, nxpk= 25, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2236,2201,
&end
#
# 15 ILE HN 15 ILE QD1 5.50 (# 395:25 Unique 4.75, 5.38 A)
&rst
ixpk= 395, nxpk= 25, iat= 225, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 238, 239, 240,
&end
#
# 16 HIS HN 15 ILE QD1 5.50 (# 396:25 Unique 4.13, 5.76 A)
&rst
ixpk= 396, nxpk= 25, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 238, 239, 240,
&end
#
# 27 PHE HN 15 ILE QD1 5.50 (# 397:25 Unique 5.57, 6.18 A)
&rst
ixpk= 397, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 238, 239, 240,
&end
#
# 0 AMB 25-2:398 15 ILE QD1 5.50 (# 398:25 Single Ambig)
&rst
ixpk= 398, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 209,1304,
igr2= 238, 239, 240,
&end
#
# 27 PHE HD 15 ILE QD1 4.50 (# 399:25 Unique 2.81, 3.91 A)
&rst
ixpk= 399, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 421, 429,
igr2= 238, 239, 240,
&end
#
# 17 SER HN 15 ILE QD1 4.50 (# 400:25 Unique 4.89, 5.75 A)
&rst
ixpk= 400, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 238, 239, 240,
&end
#
# 0 AMB 25-2:404 15 ILE QD1 5.50 (# 404:25 Single Ambig)
&rst
ixpk= 404, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1287,1254,
igr2= 238, 239, 240,
&end
#
# 0 AMB 25-2:405 15 ILE QD1 5.50 (# 405:25 Single Ambig)
&rst
ixpk= 405, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 211, 200,
igr2= 238, 239, 240,
&end
#
# 0 AMB 25-2:406 15 ILE QD1 4.50 (# 406:25 Single Ambig)
&rst
ixpk= 406, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 415, 435, 263,
igr2= 238, 239, 240,
&end
#
# 15 ILE HA 15 ILE QD1 4.50 (# 407:25 Unique 2.45, 4.40 A)
&rst
ixpk= 407, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 238, 239, 240,
&end
#
# 0 AMB 25-2:408 15 ILE QD1 5.50 (# 408:25 Single Ambig)
&rst
ixpk= 408, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 374,1256,
igr2= 238, 239, 240,
&end
#
# 13 SER HB+ 15 ILE QD1 4.50 (# 409:25 Unique 3.34, 4.68 A)
&rst
ixpk= 409, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 202, 203,
igr2= 238, 239, 240,
&end
#
# 13 SER HB- 15 ILE QD1 4.50 (# 411:25 Unique 3.34, 4.68 A)
&rst
ixpk= 411, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 202, 203,
igr2= 238, 239, 240,
&end
#
# 27 PHE HB- 15 ILE QD1 3.50 (# 412:25 Unique 2.20, 3.80 A)
&rst
ixpk= 412, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 417, 418,
igr2= 238, 239, 240,
&end
#
# 0 AMB 25-2:413 15 ILE QD1 5.50 (# 413:25 Single Ambig)
&rst
ixpk= 413, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 364, 365, 213,
igr2= 238, 239, 240,
&end
#
# 23 GLU HG+ 15 ILE QD1 4.50 (# 414:25 Unique 5.40, 6.35 A)
&rst
ixpk= 414, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 364, 365,
igr2= 238, 239, 240,
&end
#
# 15 ILE HB 15 ILE QD1 3.50 (# 415:25 Unique 2.67, 3.39 A)
&rst
ixpk= 415, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 238, 239, 240,
&end
#
# 15 ILE HG1- 15 ILE QD1 2.80 (# 416:25 Unique 2.39, 2.67 A)
&rst
ixpk= 416, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 235, 236,
igr2= 238, 239, 240,
&end
#
# 15 ILE HG1+ 15 ILE QD1 2.80 (# 417:25 Unique 2.39, 2.67 A)
&rst
ixpk= 417, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 235, 236,
igr2= 238, 239, 240,
&end
#
# 15 ILE QG2 15 ILE QD1 2.80 (# 418:25 Unique 2.22, 3.49 A)
&rst
ixpk= 418, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 231, 232, 233,
igr2= 238, 239, 240,
&end
#
# 15 ILE QD1 15 ILE QG2 2.80 (# 419:25 Unique 2.22, 3.49 A)
&rst
ixpk= 419, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 238, 239, 240,
igr2= 231, 232, 233,
&end
#
# 15 ILE HB 15 ILE QG2 2.80 (# 420:25 Unique 2.32, 2.62 A)
&rst
ixpk= 420, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 231, 232, 233,
&end
#
# 16 HIS HB+ 15 ILE QG2 4.50 (# 421:25 Unique 4.25, 5.63 A)
&rst
ixpk= 421, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 248, 249,
igr2= 231, 232, 233,
&end
#
# 15 ILE HA 15 ILE QG2 3.50 (# 422:25 Unique 2.68, 3.40 A)
&rst
ixpk= 422, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 231, 232, 233,
&end
#
# 17 SER HN 15 ILE QG2 2.80 (# 423:25 Unique 1.88, 2.79 A)
&rst
ixpk= 423, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 231, 232, 233,
&end
#
# 16 HIS HN 15 ILE QG2 3.50 (# 425:25 Unique 2.77, 3.59 A)
&rst
ixpk= 425, nxpk= 25, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 231, 232, 233,
&end
#
# 15 ILE HN 15 ILE QG2 4.50 (# 426:25 Unique 3.81, 4.46 A)
&rst
ixpk= 426, nxpk= 25, iat= 225, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 231, 232, 233,
&end
#
# 16 HIS HN 16 HIS HA 3.50 (# 427:25 Unique 2.84, 2.88 A)
&rst
ixpk= 427, nxpk= 25, iat= 244, 246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 GLU HN 16 HIS HA 3.50 (# 428:25 Unique 2.89, 3.24 A)
&rst
ixpk= 428, nxpk= 25, iat=1304, 246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 GLN HN 16 HIS HA 4.50 (# 429:25 Unique 3.64, 4.06 A)
&rst
ixpk= 429, nxpk= 25, iat=1319, 246, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 LEU HA 16 HIS HA 5.50 (# 431:25 Unique 4.27, 4.65 A)
&rst
ixpk= 431, nxpk= 25, iat=1287, 246, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 HIS HB+ 16 HIS HA 2.80 (# 433:25 Unique 2.33, 2.70 A)
&rst
ixpk= 433, nxpk= 25, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 248, 249,
&end
#
# 85 GLU HB+ 16 HIS HA 2.80 (# 435:25 Unique 2.08, 3.09 A)
&rst
ixpk= 435, nxpk= 25, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1308,1309,
&end
#
# 85 GLU HG+ 16 HIS HA 3.50 (# 437:25 Unique 2.83, 3.84 A)
&rst
ixpk= 437, nxpk= 25, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1311,1312,
&end
#
# 0 AMB 25-2:438 16 HIS HA 2.80 (# 438:25 Single Ambig)
&rst
ixpk= 438, nxpk= 25, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1308,1309,1311,1312,
&end
#
# 15 ILE QG2 16 HIS HB+ 4.50 (# 439:25 Unique 4.25, 5.63 A)
&rst
ixpk= 439, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 231, 232, 233,
igr2= 248, 249,
&end
#
# 0 AMB 25-2:441 0 AMB 25-1:441 5.50 (# 441:25 Double Ambig)
&rst
ixpk= 441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1308,1309,1311,1312,
igr2= 248, 249, 248, 249,
&end
#
# 85 GLU HG+ 16 HIS HB+ 5.50 (# 442:25 Unique 4.52, 6.29 A)
&rst
ixpk= 442, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1311,1312,
igr2= 248, 249,
&end
#
# 85 GLU HB+ 16 HIS HB+ 5.50 (# 443:25 Unique 3.81, 5.37 A)
&rst
ixpk= 443, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1308,1309,
igr2= 248, 249,
&end
#
# 17 SER HB- 16 HIS HB+ 4.50 (# 444:25 Unique 3.73, 5.43 A)
&rst
ixpk= 444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 265, 266,
igr2= 248, 249,
&end
#
# 16 HIS HA 16 HIS HB+ 2.80 (# 445:25 Unique 2.33, 2.70 A)
&rst
ixpk= 445, nxpk= 25, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 248, 249,
&end
#
# 17 SER HN 16 HIS HB+ 4.50 (# 449:25 Unique 2.45, 3.42 A)
&rst
ixpk= 449, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 248, 249,
&end
#
# 85 GLU HN 16 HIS HB+ 5.50 (# 450:25 Unique 5.38, 5.73 A)
&rst
ixpk= 450, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 248, 249,
&end
#
# 16 HIS HN 16 HIS HB+ 2.80 (# 451:25 Unique 2.35, 2.81 A)
&rst
ixpk= 451, nxpk= 25, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 248, 249,
&end
#
# 18 ALA HN 17 SER HA 2.80 (# 452:25 Unique 2.27, 2.42 A)
&rst
ixpk= 452, nxpk= 25, iat= 272, 263, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 86 GLN HN 17 SER HA 4.50 (# 454:25 Unique 3.05, 3.40 A)
&rst
ixpk= 454, nxpk= 25, iat=1319, 263, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 SER HN 17 SER HA 3.50 (# 455:25 Unique 2.81, 2.87 A)
&rst
ixpk= 455, nxpk= 25, iat= 261, 263, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 SER HB+ 17 SER HA 2.80 (# 456:25 Unique 2.22, 2.60 A)
&rst
ixpk= 456, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 265, 266,
&end
#
# 17 SER HB- 17 SER HA 2.80 (# 457:25 Unique 2.22, 2.60 A)
&rst
ixpk= 457, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 265, 266,
&end
#
# 86 GLN HG+ 17 SER HA 4.50 (# 459:25 Unique 4.26, 5.13 A)
&rst
ixpk= 459, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1326,1327,
&end
#
# 86 GLN HB- 17 SER HA 4.50 (# 460:25 Unique 2.75, 3.92 A)
&rst
ixpk= 460, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1323,1324,
&end
#
# 86 GLN HB+ 17 SER HA 4.50 (# 461:25 Unique 2.75, 3.92 A)
&rst
ixpk= 461, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1323,1324,
&end
#
# 84 LEU HB+ 17 SER HA 4.50 (# 462:25 Unique 2.84, 4.84 A)
&rst
ixpk= 462, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1289,1290,
&end
#
# 18 ALA MB 17 SER HA 4.50 (# 463:25 Unique 4.45, 5.12 A)
&rst
ixpk= 463, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 276, 277, 278,
&end
#
# 84 LEU MDX 17 SER HA 3.50 (# 466:25 Unique 2.19, 4.60 A)
&rst
ixpk= 466, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 18 ALA HA 17 SER HB+ 4.50 (# 477:25 Unique 4.28, 4.99 A)
&rst
ixpk= 477, nxpk= 25, iat= 274, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 17 SER HN 17 SER HB- 4.50 (# 479:25 Unique 3.03, 3.71 A)
&rst
ixpk= 479, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 17 SER HN 17 SER HB+ 5.50 (# 480:25 Unique 3.03, 3.71 A)
&rst
ixpk= 480, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 265, 266,
&end
#
# 18 ALA HN 17 SER HB+ 3.50 (# 486:25 Unique 2.57, 3.27 A)
&rst
ixpk= 486, nxpk= 25, iat= 272, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 18 ALA HN 17 SER HB- 4.50 (# 487:25 Unique 2.57, 3.27 A)
&rst
ixpk= 487, nxpk= 25, iat= 272, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 19 LYS HN 18 ALA HA 2.80 (# 488:25 Unique 2.22, 2.34 A)
&rst
ixpk= 488, nxpk= 25, iat= 282, 274, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 18 ALA HN 18 ALA HA 3.50 (# 489:25 Unique 2.95, 2.98 A)
&rst
ixpk= 489, nxpk= 25, iat= 272, 274, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 PHE HD 18 ALA HA 3.50 (# 491:25 Unique 2.93, 5.18 A)
&rst
ixpk= 491, nxpk= 25, iat= -1, 274, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 421, 429,
&end
#
# 20 ASP HN 18 ALA HA 4.50 (# 492:25 Unique 4.09, 4.32 A)
&rst
ixpk= 492, nxpk= 25, iat= 304, 274, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:495 18 ALA HA 4.50 (# 495:25 Single Ambig)
&rst
ixpk= 495, nxpk= 25, iat= -1, 274, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 284, 374,
&end
#
# 0 AMB 25-2:496 18 ALA HA 4.50 (# 496:25 Single Ambig)
&rst
ixpk= 496, nxpk= 25, iat= -1, 274, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 364, 365, 361, 362,
&end
#
# 19 LYS HB+ 18 ALA HA 4.50 (# 497:25 Unique 4.14, 4.64 A)
&rst
ixpk= 497, nxpk= 25, iat= -1, 274, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 286, 287,
&end
#
# 0 AMB 25-2:498 18 ALA HA 4.50 (# 498:25 Single Ambig)
&rst
ixpk= 498, nxpk= 25, iat= -1, 274, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 364, 365, 286, 287,
&end
#
# 18 ALA MB 18 ALA HA 2.80 (# 499:25 Unique 2.35, 2.65 A)
&rst
ixpk= 499, nxpk= 25, iat= -1, 274, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 276, 277, 278,
&end
#
# 84 LEU HG 18 ALA HA 5.50 (# 500:25 Unique 4.26, 5.12 A)
&rst
ixpk= 500, nxpk= 25, iat=1292, 274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 VAL MGY 18 ALA HA 5.50 (# 501:25 Unique 4.05, 5.74 A)
&rst
ixpk= 501, nxpk= 25, iat= -1, 274, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 84 LEU MDX 18 ALA HA 5.50 (# 502:25 Unique 3.33, 5.36 A)
&rst
ixpk= 502, nxpk= 25, iat= -1, 274, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 15 ILE QG2 18 ALA HA 5.50 (# 503:25 Unique 2.95, 3.89 A)
&rst
ixpk= 503, nxpk= 25, iat= -1, 274, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 231, 232, 233,
&end
#
# 15 ILE QG2 18 ALA MB 4.50 (# 504:25 Unique 2.66, 5.08 A)
&rst
ixpk= 504, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 231, 232, 233,
igr2= 276, 277, 278,
&end
#
# 84 LEU MDX 18 ALA MB 3.50 (# 505:25 Unique 2.14, 4.67 A)
&rst
ixpk= 505, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 276, 277, 278,
&end
#
# 88 VAL MGY 18 ALA MB 2.80 (# 506:25 Unique 2.10, 4.45 A)
&rst
ixpk= 506, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1349,1350,1351,1353,1354,1355,
igr2= 276, 277, 278,
&end
#
# 84 LEU HG 18 ALA MB 3.50 (# 507:25 Unique 2.92, 4.33 A)
&rst
ixpk= 507, nxpk= 25, iat=1292, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 276, 277, 278,
&end
#
# 24 ALA MB 18 ALA MB 2.80 (# 508:25 Unique 2.27, 3.70 A)
&rst
ixpk= 508, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 376, 377, 378,
igr2= 276, 277, 278,
&end
#
# 0 AMB 25-2:509 18 ALA MB 2.80 (# 509:25 Single Ambig)
&rst
ixpk= 509, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 361, 362, 364, 365,
igr2= 276, 277, 278,
&end
#
# 88 VAL HB 18 ALA MB 4.50 (# 510:25 Unique 2.19, 3.83 A)
&rst
ixpk= 510, nxpk= 25, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 276, 277, 278,
&end
#
# 23 GLU HA 18 ALA MB 5.50 (# 511:25 Unique 4.58, 5.79 A)
&rst
ixpk= 511, nxpk= 25, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 276, 277, 278,
&end
#
# 24 ALA HA 18 ALA MB 3.50 (# 512:25 Unique 2.40, 3.00 A)
&rst
ixpk= 512, nxpk= 25, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 276, 277, 278,
&end
#
# 0 AMB 25-2:513 18 ALA MB 4.50 (# 513:25 Single Ambig)
&rst
ixpk= 513, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 263, 415,
igr2= 276, 277, 278,
&end
#
# 18 ALA HA 18 ALA MB 2.80 (# 514:25 Unique 2.35, 2.65 A)
&rst
ixpk= 514, nxpk= 25, iat= 274, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 276, 277, 278,
&end
#
# 20 ASP HN 18 ALA MB 2.80 (# 517:25 Unique 2.61, 3.60 A)
&rst
ixpk= 517, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 276, 277, 278,
&end
#
# 24 ALA HN 18 ALA MB 3.50 (# 519:25 Unique 2.89, 3.66 A)
&rst
ixpk= 519, nxpk= 25, iat= 372, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 276, 277, 278,
&end
#
# 0 AMB 25-2:520 18 ALA MB 4.50 (# 520:25 Single Ambig)
&rst
ixpk= 520, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 357, 382, 401,
igr2= 276, 277, 278,
&end
#
# 18 ALA HN 18 ALA MB 3.50 (# 521:25 Unique 2.42, 3.11 A)
&rst
ixpk= 521, nxpk= 25, iat= 272, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 276, 277, 278,
&end
#
# 19 LYS HN 18 ALA MB 3.50 (# 522:25 Unique 2.43, 3.36 A)
&rst
ixpk= 522, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 276, 277, 278,
&end
#
# 19 LYS HN 19 LYS HA 3.50 (# 523:25 Unique 2.79, 2.82 A)
&rst
ixpk= 523, nxpk= 25, iat= 282, 284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 20 ASP HN 19 LYS HA 3.50 (# 524:25 Unique 3.52, 3.55 A)
&rst
ixpk= 524, nxpk= 25, iat= 304, 284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 ALA HA 19 LYS HA 4.50 (# 525:25 Unique 4.21, 4.32 A)
&rst
ixpk= 525, nxpk= 25, iat= 274, 284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 LYS HG+ 19 LYS HA 2.80 (# 527:25 Unique 2.28, 3.13 A)
&rst
ixpk= 527, nxpk= 25, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 289, 290,
&end
#
# 19 LYS HG+ 19 LYS HB+ 3.50 (# 528:25 Unique 2.27, 2.66 A)
&rst
ixpk= 528, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 289, 290,
igr2= 286, 287,
&end
#
# 19 LYS HG+ 19 LYS HB- 3.50 (# 529:25 Unique 2.27, 2.66 A)
&rst
ixpk= 529, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 289, 290,
igr2= 286, 287,
&end
#
# 19 LYS HE+ 19 LYS HB+ 5.50 (# 532:25 Unique 2.12, 4.32 A)
&rst
ixpk= 532, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 295, 296,
igr2= 286, 287,
&end
#
# 19 LYS HE+ 19 LYS HB- 5.50 (# 533:25 Unique 2.12, 4.32 A)
&rst
ixpk= 533, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 295, 296,
igr2= 286, 287,
&end
#
# 19 LYS HA 19 LYS HB+ 2.80 (# 534:25 Unique 2.45, 2.79 A)
&rst
ixpk= 534, nxpk= 25, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 286, 287,
&end
#
# 19 LYS HA 19 LYS HB- 3.50 (# 535:25 Unique 2.45, 2.79 A)
&rst
ixpk= 535, nxpk= 25, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 286, 287,
&end
#
# 18 ALA HA 19 LYS HB+ 4.50 (# 536:25 Unique 4.14, 4.64 A)
&rst
ixpk= 536, nxpk= 25, iat= 274, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 286, 287,
&end
#
# 18 ALA HA 19 LYS HB- 5.50 (# 537:25 Unique 4.14, 4.64 A)
&rst
ixpk= 537, nxpk= 25, iat= 274, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 286, 287,
&end
#
# 37 TYR HD 35 LYS HB- 3.50 (# 538:25 Unique 2.07, 4.75 A)
&rst
ixpk= 538, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 582, 591,
igr2= 542, 543,
&end
#
# 35 LYS HN 35 LYS HB- 3.50 (# 539:25 Unique 2.58, 3.33 A)
&rst
ixpk= 539, nxpk= 25, iat= 538, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 542, 543,
&end
#
# 20 ASP HN 19 LYS HB+ 4.50 (# 540:25 Unique 2.53, 3.30 A)
&rst
ixpk= 540, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 286, 287,
&end
#
# 20 ASP HN 19 LYS HB- 4.50 (# 541:25 Unique 2.53, 3.30 A)
&rst
ixpk= 541, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 286, 287,
&end
#
# 19 LYS HN 19 LYS HB+ 3.50 (# 542:25 Unique 2.03, 2.43 A)
&rst
ixpk= 542, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 286, 287,
&end
#
# 19 LYS HN 19 LYS HB- 3.50 (# 543:25 Unique 2.03, 2.43 A)
&rst
ixpk= 543, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 286, 287,
&end
#
# 19 LYS HN 19 LYS HG- 4.50 (# 544:25 Unique 2.47, 4.37 A)
&rst
ixpk= 544, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 289, 290,
&end
#
# 19 LYS HN 19 LYS HG+ 4.50 (# 545:25 Unique 2.47, 4.37 A)
&rst
ixpk= 545, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 289, 290,
&end
#
# 19 LYS HA 19 LYS HG+ 4.50 (# 547:25 Unique 2.28, 3.13 A)
&rst
ixpk= 547, nxpk= 25, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 289, 290,
&end
#
# 19 LYS HE+ 19 LYS HG+ 3.50 (# 548:25 Unique 2.37, 3.13 A)
&rst
ixpk= 548, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 295, 296,
igr2= 289, 290,
&end
#
# 0 AMB 25-2:550 0 AMB 25-1:550 2.80 (# 550:25 Double Ambig)
&rst
ixpk= 550, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2087,2088, 364, 365,
igr2=2090,2091, 289, 290,
&end
#
# 19 LYS HA 19 LYS HD+ 3.50 (# 551:25 Unique 2.18, 3.47 A)
&rst
ixpk= 551, nxpk= 25, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 292, 293,
&end
#
# 19 LYS HE+ 19 LYS HD+ 2.80 (# 552:25 Unique 2.35, 2.70 A)
&rst
ixpk= 552, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 295, 296,
igr2= 292, 293,
&end
#
# 19 LYS HG+ 19 LYS HD+ 2.80 (# 553:25 Unique 2.28, 2.71 A)
&rst
ixpk= 553, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 289, 290,
igr2= 292, 293,
&end
#
# 19 LYS HG+ 19 LYS HE+ 3.50 (# 554:25 Unique 2.37, 3.13 A)
&rst
ixpk= 554, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 289, 290,
igr2= 295, 296,
&end
#
# 19 LYS HG- 19 LYS HE+ 2.80 (# 555:25 Unique 2.37, 3.13 A)
&rst
ixpk= 555, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 289, 290,
igr2= 295, 296,
&end
#
# 19 LYS HD+ 19 LYS HE+ 2.80 (# 556:25 Unique 2.35, 2.70 A)
&rst
ixpk= 556, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 292, 293,
igr2= 295, 296,
&end
#
# 23 GLU HB+ 19 LYS HE+ 4.50 (# 557:25 Unique 2.15, 6.33 A)
&rst
ixpk= 557, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 361, 362,
igr2= 295, 296,
&end
#
# 21 TRP HN 20 ASP HA 2.80 (# 559:25 Unique 2.51, 2.65 A)
&rst
ixpk= 559, nxpk= 25, iat= 316, 306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 20 ASP HN 20 ASP HA 3.50 (# 560:25 Unique 2.81, 2.85 A)
&rst
ixpk= 560, nxpk= 25, iat= 304, 306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HD1 20 ASP HA 5.50 (# 561:25 Unique 4.07, 4.41 A)
&rst
ixpk= 561, nxpk= 25, iat= 324, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 GLN HN 20 ASP HA 5.50 (# 562:25 Unique 4.27, 4.54 A)
&rst
ixpk= 562, nxpk= 25, iat= 340, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HA 20 ASP HA 5.50 (# 564:25 Unique 4.20, 4.40 A)
&rst
ixpk= 564, nxpk= 25, iat= 318, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 ASP HB- 20 ASP HA 2.80 (# 565:25 Unique 2.26, 2.70 A)
&rst
ixpk= 565, nxpk= 25, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 308, 309,
&end
#
# 20 ASP HB+ 20 ASP HA 2.80 (# 566:25 Unique 2.26, 2.70 A)
&rst
ixpk= 566, nxpk= 25, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 308, 309,
&end
#
# 21 TRP HB+ 20 ASP HA 5.50 (# 567:25 Unique 4.88, 5.53 A)
&rst
ixpk= 567, nxpk= 25, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 320, 321,
&end
#
# 88 VAL HB 20 ASP HA 5.50 (# 568:25 Unique 3.58, 4.88 A)
&rst
ixpk= 568, nxpk= 25, iat=1347, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:569 20 ASP HA 5.50 (# 569:25 Single Ambig)
&rst
ixpk= 569, nxpk= 25, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 361, 362, 364, 365,
&end
#
# 19 LYS HB- 20 ASP HA 5.50 (# 570:25 Unique 4.80, 5.54 A)
&rst
ixpk= 570, nxpk= 25, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 286, 287,
&end
#
# 0 AMB 25-2:571 20 ASP HA 5.50 (# 571:25 Single Ambig)
&rst
ixpk= 571, nxpk= 25, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 320, 321, 289, 290,
&end
#
# 18 ALA MB 20 ASP HA 5.50 (# 572:25 Unique 3.49, 5.36 A)
&rst
ixpk= 572, nxpk= 25, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 276, 277, 278,
&end
#
# 88 VAL MGY 20 ASP HA 3.50 (# 573:25 Unique 2.51, 4.36 A)
&rst
ixpk= 573, nxpk= 25, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 20 ASP HA 20 ASP HB- 2.80 (# 575:25 Unique 2.26, 2.70 A)
&rst
ixpk= 575, nxpk= 25, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 308, 309,
&end
#
# 20 ASP HA 20 ASP HB+ 2.80 (# 576:25 Unique 2.26, 2.70 A)
&rst
ixpk= 576, nxpk= 25, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 308, 309,
&end
#
# 22 GLN HN 20 ASP HB- 4.50 (# 577:25 Unique 2.53, 3.63 A)
&rst
ixpk= 577, nxpk= 25, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 308, 309,
&end
#
# 22 GLN HN 20 ASP HB+ 4.50 (# 578:25 Unique 2.53, 3.63 A)
&rst
ixpk= 578, nxpk= 25, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 308, 309,
&end
#
# 20 ASP HN 20 ASP HB- 4.50 (# 579:25 Unique 3.03, 3.44 A)
&rst
ixpk= 579, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 308, 309,
&end
#
# 20 ASP HN 20 ASP HB+ 4.50 (# 580:25 Unique 3.03, 3.44 A)
&rst
ixpk= 580, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 308, 309,
&end
#
# 21 TRP HN 20 ASP HB- 3.50 (# 582:25 Unique 2.21, 3.28 A)
&rst
ixpk= 582, nxpk= 25, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 308, 309,
&end
#
# 21 TRP HN 20 ASP HB+ 3.50 (# 583:25 Unique 2.21, 3.28 A)
&rst
ixpk= 583, nxpk= 25, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 308, 309,
&end
#
# 21 TRP HN 21 TRP HA 3.50 (# 584:25 Unique 2.72, 2.85 A)
&rst
ixpk= 584, nxpk= 25, iat= 316, 318, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:585 21 TRP HA 4.50 (# 585:25 Single Ambig)
&rst
ixpk= 585, nxpk= 25, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 382, 357,
&end
#
# 24 ALA HN 21 TRP HA 4.50 (# 586:25 Unique 2.78, 2.95 A)
&rst
ixpk= 586, nxpk= 25, iat= 372, 318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 TRP HD1 21 TRP HA 4.50 (# 587:25 Unique 4.12, 4.25 A)
&rst
ixpk= 587, nxpk= 25, iat= 324, 318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASP HN 21 TRP HA 5.50 (# 588:25 Unique 4.57, 4.66 A)
&rst
ixpk= 588, nxpk= 25, iat= 304, 318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 GLN HN 21 TRP HA 4.50 (# 591:25 Unique 3.56, 3.59 A)
&rst
ixpk= 591, nxpk= 25, iat= 340, 318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:592 21 TRP HA 5.50 (# 592:25 Single Ambig)
&rst
ixpk= 592, nxpk= 25, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 306,1382,
&end
#
# 20 ASP HB+ 21 TRP HA 4.50 (# 593:25 Unique 4.66, 5.35 A)
&rst
ixpk= 593, nxpk= 25, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 308, 309,
&end
#
# 21 TRP HB+ 21 TRP HA 2.80 (# 594:25 Unique 2.21, 2.44 A)
&rst
ixpk= 594, nxpk= 25, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 320, 321,
&end
#
# 24 ALA MB 21 TRP HA 2.80 (# 595:25 Unique 2.16, 2.83 A)
&rst
ixpk= 595, nxpk= 25, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 376, 377, 378,
&end
#
# 21 TRP HB- 21 TRP HA 2.80 (# 597:25 Unique 2.21, 2.44 A)
&rst
ixpk= 597, nxpk= 25, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 320, 321,
&end
#
# 88 VAL MGY 21 TRP HA 3.50 (# 598:25 Unique 2.15, 4.63 A)
&rst
ixpk= 598, nxpk= 25, iat= -1, 318, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 91 PRO HD+ 21 TRP HB+ 4.50 (# 601:25 Unique 2.13, 3.47 A)
&rst
ixpk= 601, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1401,1402,
igr2= 320, 321,
&end
#
# 21 TRP HA 21 TRP HB+ 3.50 (# 603:25 Unique 2.21, 2.44 A)
&rst
ixpk= 603, nxpk= 25, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 320, 321,
&end
#
# 90 PHE HA 21 TRP HB+ 5.50 (# 604:25 Unique 2.41, 4.10 A)
&rst
ixpk= 604, nxpk= 25, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 320, 321,
&end
#
# 21 TRP HD1 21 TRP HB+ 4.50 (# 606:25 Unique 2.54, 3.19 A)
&rst
ixpk= 606, nxpk= 25, iat= 324, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 320, 321,
&end
#
# 21 TRP HN 21 TRP HB+ 4.50 (# 608:25 Unique 2.64, 3.21 A)
&rst
ixpk= 608, nxpk= 25, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 320, 321,
&end
#
# 21 TRP HD1 21 TRP HB- 4.50 (# 611:25 Unique 2.54, 3.19 A)
&rst
ixpk= 611, nxpk= 25, iat= 324, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 320, 321,
&end
#
# 21 TRP HD1 21 TRP HB- 5.50 (# 612:25 Unique 2.54, 3.19 A)
&rst
ixpk= 612, nxpk= 25, iat= 324, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 320, 321,
&end
#
# 21 TRP HD1 21 TRP HB- 5.50 (# 613:25 Unique 2.54, 3.19 A)
&rst
ixpk= 613, nxpk= 25, iat= 324, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 320, 321,
&end
#
# 138 LYS HA 138 LYS HG- 3.50 (# 615:25 Unique 2.31, 3.36 A)
&rst
ixpk= 615, nxpk= 25, iat=2085, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2090,2091,
&end
#
# 21 TRP HA 21 TRP HB- 3.50 (# 616:25 Unique 2.21, 2.44 A)
&rst
ixpk= 616, nxpk= 25, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 320, 321,
&end
#
# 138 LYS HE+ 138 LYS HG- 3.50 (# 617:25 Unique 2.40, 3.00 A)
&rst
ixpk= 617, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2096,2097,
igr2=2090,2091,
&end
#
# 22 GLN HG- 22 GLN HA 3.50 (# 619:25 Unique 2.48, 2.75 A)
&rst
ixpk= 619, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 347, 348,
&end
#
# 22 GLN HG+ 22 GLN HA 3.50 (# 620:25 Unique 2.48, 2.75 A)
&rst
ixpk= 620, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 347, 348,
&end
#
# 25 ILE QG2 22 GLN HA 5.50 (# 621:25 Unique 5.13, 5.80 A)
&rst
ixpk= 621, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 388, 389, 390,
&end
#
# 47 LYS HG- 22 GLN HA 4.50 (# 622:25 Unique 2.44, 3.43 A)
&rst
ixpk= 622, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 747, 748,
&end
#
# 0 AMB 25-2:623 22 GLN HA 3.50 (# 623:25 Single Ambig)
&rst
ixpk= 623, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 344, 345, 750, 751,
&end
#
# 47 LYS HG+ 22 GLN HA 4.50 (# 624:25 Unique 2.44, 3.43 A)
&rst
ixpk= 624, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 747, 748,
&end
#
# 22 GLN HB+ 22 GLN HA 3.50 (# 625:25 Unique 2.45, 2.77 A)
&rst
ixpk= 625, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 344, 345,
&end
#
# 25 ILE HG1- 22 GLN HA 4.50 (# 626:25 Unique 2.67, 3.69 A)
&rst
ixpk= 626, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 392, 393,
&end
#
# 25 ILE HB 22 GLN HA 4.50 (# 627:25 Unique 3.25, 3.46 A)
&rst
ixpk= 627, nxpk= 25, iat= 386, 342, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 LYS HE+ 22 GLN HA 5.50 (# 628:25 Unique 2.09, 3.23 A)
&rst
ixpk= 628, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 753, 754,
&end
#
# 47 LYS HE- 22 GLN HA 4.50 (# 629:25 Unique 2.09, 3.23 A)
&rst
ixpk= 629, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 753, 754,
&end
#
# 22 GLN HN 22 GLN HA 3.50 (# 634:25 Unique 2.83, 2.87 A)
&rst
ixpk= 634, nxpk= 25, iat= 340, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:638 22 GLN HA 5.50 (# 638:25 Single Ambig)
&rst
ixpk= 638, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 372, 740,
&end
#
# 0 AMB 25-2:639 22 GLN HA 4.50 (# 639:25 Single Ambig)
&rst
ixpk= 639, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 382, 357, 401,
&end
#
# 21 TRP HN 22 GLN HA 5.50 (# 640:25 Unique 5.10, 5.37 A)
&rst
ixpk= 640, nxpk= 25, iat= 316, 342, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 GLU HN 22 GLN HB+ 4.50 (# 641:25 Unique 2.44, 3.06 A)
&rst
ixpk= 641, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 344, 345,
&end
#
# 23 GLU HN 22 GLN HB- 4.50 (# 642:25 Unique 2.44, 3.06 A)
&rst
ixpk= 642, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 344, 345,
&end
#
# 22 GLN HN 22 GLN HB+ 3.50 (# 643:25 Unique 2.37, 3.03 A)
&rst
ixpk= 643, nxpk= 25, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 344, 345,
&end
#
# 22 GLN HN 22 GLN HB- 3.50 (# 644:25 Unique 2.37, 3.03 A)
&rst
ixpk= 644, nxpk= 25, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 344, 345,
&end
#
# 22 GLN HA 22 GLN HB+ 4.50 (# 645:25 Unique 2.45, 2.77 A)
&rst
ixpk= 645, nxpk= 25, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 344, 345,
&end
#
# 22 GLN HA 22 GLN HB- 3.50 (# 646:25 Unique 2.45, 2.77 A)
&rst
ixpk= 646, nxpk= 25, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 344, 345,
&end
#
# 47 LYS HE- 22 GLN HB- 5.50 (# 647:25 Unique 2.73, 4.72 A)
&rst
ixpk= 647, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 753, 754,
igr2= 344, 345,
&end
#
# 22 GLN HG+ 22 GLN HB+ 4.50 (# 648:25 Unique 2.38, 2.77 A)
&rst
ixpk= 648, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 347, 348,
igr2= 344, 345,
&end
#
# 22 GLN HG+ 22 GLN HB- 4.50 (# 649:25 Unique 2.38, 2.77 A)
&rst
ixpk= 649, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 347, 348,
igr2= 344, 345,
&end
#
# 47 LYS HG- 22 GLN HG+ 4.50 (# 656:25 Unique 3.61, 5.13 A)
&rst
ixpk= 656, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 747, 748,
igr2= 347, 348,
&end
#
# 47 LYS HG- 22 GLN HG- 4.50 (# 657:25 Unique 3.61, 5.13 A)
&rst
ixpk= 657, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 747, 748,
igr2= 347, 348,
&end
#
# 0 AMB 25-2:658 0 AMB 25-1:658 3.50 (# 658:25 Double Ambig)
&rst
ixpk= 658, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 344, 345, 750, 751,
igr2= 347, 348, 347, 348,
&end
#
# 22 GLN HB+ 22 GLN HG+ 3.50 (# 659:25 Unique 2.38, 2.77 A)
&rst
ixpk= 659, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 344, 345,
igr2= 347, 348,
&end
#
# 0 AMB 25-2:660 0 AMB 25-1:660 4.50 (# 660:25 Double Ambig)
&rst
ixpk= 660, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 750, 751, 747, 748,
igr2= 347, 348, 347, 348,
&end
#
# 0 AMB 25-2:661 22 GLN HG- 3.50 (# 661:25 Single Ambig)
&rst
ixpk= 661, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 344, 345, 750, 751,
igr2= 347, 348,
&end
#
# 47 LYS HG+ 22 GLN HG- 4.50 (# 662:25 Unique 3.61, 5.13 A)
&rst
ixpk= 662, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 747, 748,
igr2= 347, 348,
&end
#
# 22 GLN HB+ 22 GLN HG- 3.50 (# 663:25 Unique 2.38, 2.77 A)
&rst
ixpk= 663, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 344, 345,
igr2= 347, 348,
&end
#
# 25 ILE HG1- 22 GLN HG+ 5.50 (# 664:25 Unique 4.81, 5.92 A)
&rst
ixpk= 664, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 392, 393,
igr2= 347, 348,
&end
#
# 0 AMB 25-2:665 0 AMB 25-1:665 5.50 (# 665:25 Double Ambig)
&rst
ixpk= 665, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 744, 745, 744, 745,
igr2= 347, 348, 347, 348,
&end
#
# 0 AMB 25-2:666 22 GLN HG- 5.50 (# 666:25 Single Ambig)
&rst
ixpk= 666, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 392, 393, 361, 362,
igr2= 347, 348,
&end
#
# 0 AMB 25-2:667 22 GLN HG- 5.50 (# 667:25 Single Ambig)
&rst
ixpk= 667, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 744, 745, 744, 745,
igr2= 347, 348,
&end
#
# 0 AMB 25-2:668 0 AMB 25-1:668 5.50 (# 668:25 Double Ambig)
&rst
ixpk= 668, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 386,1401,1402,
igr2= 347, 348, 347, 348,
&end
#
# 0 AMB 25-2:670 22 GLN HG- 5.50 (# 670:25 Single Ambig)
&rst
ixpk= 670, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 386,1401,1402,
igr2= 347, 348,
&end
#
# 47 LYS HE- 22 GLN HG+ 5.50 (# 672:25 Unique 3.56, 5.34 A)
&rst
ixpk= 672, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 753, 754,
igr2= 347, 348,
&end
#
# 47 LYS HE- 22 GLN HG- 5.50 (# 673:25 Unique 3.56, 5.34 A)
&rst
ixpk= 673, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 753, 754,
igr2= 347, 348,
&end
#
# 22 GLN HA 22 GLN HG+ 3.50 (# 674:25 Unique 2.48, 2.75 A)
&rst
ixpk= 674, nxpk= 25, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 347, 348,
&end
#
# 22 GLN HA 22 GLN HG- 3.50 (# 675:25 Unique 2.48, 2.75 A)
&rst
ixpk= 675, nxpk= 25, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 347, 348,
&end
#
# 22 GLN HN 22 GLN HG- 3.50 (# 680:25 Unique 2.04, 2.89 A)
&rst
ixpk= 680, nxpk= 25, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 347, 348,
&end
#
# 22 GLN HN 22 GLN HG+ 3.50 (# 681:25 Unique 2.04, 2.89 A)
&rst
ixpk= 681, nxpk= 25, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 347, 348,
&end
#
# 0 AMB 25-2:686 0 AMB 25-1:686 5.50 (# 686:25 Double Ambig)
&rst
ixpk= 686, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 357, 382,
igr2= 347, 348, 347, 348,
&end
#
# 0 AMB 25-2:687 22 GLN HG- 4.50 (# 687:25 Single Ambig)
&rst
ixpk= 687, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 357, 382,
igr2= 347, 348,
&end
#
# 21 TRP HE1 22 GLN HG+ 5.50 (# 688:25 Unique 3.92, 5.48 A)
&rst
ixpk= 688, nxpk= 25, iat= 326, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 347, 348,
&end
#
# 21 TRP HE1 22 GLN HG- 5.50 (# 689:25 Unique 3.92, 5.48 A)
&rst
ixpk= 689, nxpk= 25, iat= 326, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 347, 348,
&end
#
# 19 LYS HN 23 GLU HA 5.50 (# 690:25 Unique 5.11, 5.27 A)
&rst
ixpk= 690, nxpk= 25, iat= 282, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 PHE HN 23 GLU HA 5.50 (# 691:25 Unique 3.76, 3.89 A)
&rst
ixpk= 691, nxpk= 25, iat= 413, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:692 23 GLU HA 3.50 (# 692:25 Single Ambig)
&rst
ixpk= 692, nxpk= 25, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 357, 401,
&end
#
# 24 ALA HN 23 GLU HA 3.50 (# 693:25 Unique 3.54, 3.55 A)
&rst
ixpk= 693, nxpk= 25, iat= 372, 359, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 20 ASP HN 23 GLU HA 5.50 (# 694:25 Unique 4.69, 4.79 A)
&rst
ixpk= 694, nxpk= 25, iat= 304, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 ASP HB- 23 GLU HA 3.50 (# 695:25 Unique 2.25, 2.96 A)
&rst
ixpk= 695, nxpk= 25, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 405, 406,
&end
#
# 26 ASP HB+ 23 GLU HA 2.80 (# 696:25 Unique 2.25, 2.96 A)
&rst
ixpk= 696, nxpk= 25, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 405, 406,
&end
#
# 0 AMB 25-2:697 23 GLU HA 2.80 (# 697:25 Single Ambig)
&rst
ixpk= 697, nxpk= 25, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 361, 362, 364, 365,
&end
#
# 23 GLU HG+ 23 GLU HA 2.80 (# 698:25 Unique 2.59, 3.22 A)
&rst
ixpk= 698, nxpk= 25, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 364, 365,
&end
#
# 0 AMB 25-2:699 0 AMB 25-1:699 2.80 (# 699:25 Double Ambig)
&rst
ixpk= 699, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 286, 287, 364, 365,
igr2= 361, 362, 361, 362,
&end
#
# 23 GLU HA 23 GLU HB+ 2.80 (# 700:25 Unique 2.51, 2.81 A)
&rst
ixpk= 700, nxpk= 25, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 361, 362,
&end
#
# 20 ASP HN 23 GLU HB+ 2.80 (# 701:25 Unique 1.91, 2.41 A)
&rst
ixpk= 701, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 361, 362,
&end
#
# 23 GLU HN 23 GLU HB+ 2.80 (# 702:25 Unique 2.20, 2.50 A)
&rst
ixpk= 702, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 361, 362,
&end
#
# 19 LYS HN 23 GLU HB+ 4.50 (# 703:25 Unique 2.47, 3.11 A)
&rst
ixpk= 703, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 361, 362,
&end
#
# 19 LYS HN 23 GLU HG- 4.50 (# 704:25 Unique 1.89, 2.79 A)
&rst
ixpk= 704, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 364, 365,
&end
#
# 19 LYS HN 23 GLU HG+ 4.50 (# 705:25 Unique 1.89, 2.79 A)
&rst
ixpk= 705, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 364, 365,
&end
#
# 0 AMB 25-2:706 23 GLU HG- 4.50 (# 706:25 Single Ambig)
&rst
ixpk= 706, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 357, 401, 382,
igr2= 364, 365,
&end
#
# 0 AMB 25-2:707 0 AMB 25-1:707 5.50 (# 707:25 Double Ambig)
&rst
ixpk= 707, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 357, 401, 382,
igr2= 364, 365, 364, 365, 364, 365,
&end
#
# 24 ALA HN 23 GLU HG+ 4.50 (# 708:25 Unique 4.12, 4.47 A)
&rst
ixpk= 708, nxpk= 25, iat= 372, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 364, 365,
&end
#
# 20 ASP HN 23 GLU HG- 3.50 (# 709:25 Unique 3.49, 4.05 A)
&rst
ixpk= 709, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 364, 365,
&end
#
# 20 ASP HN 23 GLU HG+ 4.50 (# 710:25 Unique 3.49, 4.05 A)
&rst
ixpk= 710, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 364, 365,
&end
#
# 18 ALA HA 23 GLU HG+ 5.50 (# 711:25 Unique 3.53, 4.12 A)
&rst
ixpk= 711, nxpk= 25, iat= 274, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 364, 365,
&end
#
# 18 ALA HA 23 GLU HG- 5.50 (# 712:25 Unique 3.53, 4.12 A)
&rst
ixpk= 712, nxpk= 25, iat= 274, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 364, 365,
&end
#
# 23 GLU HA 23 GLU HG- 2.80 (# 713:25 Unique 2.59, 3.22 A)
&rst
ixpk= 713, nxpk= 25, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 364, 365,
&end
#
# 23 GLU HA 23 GLU HG+ 3.50 (# 714:25 Unique 2.59, 3.22 A)
&rst
ixpk= 714, nxpk= 25, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 364, 365,
&end
#
# 0 AMB 25-2:715 0 AMB 25-1:715 5.50 (# 715:25 Double Ambig)
&rst
ixpk= 715, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 374, 284,
igr2= 364, 365, 364, 365,
&end
#
# 0 AMB 25-2:716 0 AMB 25-1:716 4.50 (# 716:25 Double Ambig)
&rst
ixpk= 716, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 405, 406, 295, 296,
igr2= 364, 365, 364, 365,
&end
#
# 0 AMB 25-2:717 23 GLU HG- 4.50 (# 717:25 Single Ambig)
&rst
ixpk= 717, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 405, 406, 295, 296,
igr2= 364, 365,
&end
#
# 0 AMB 25-2:722 24 ALA HA 3.50 (# 722:25 Single Ambig)
&rst
ixpk= 722, nxpk= 25, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
igr1=1292,1349,1350,1351,1353,1354,1355,1545,1546,1547,
1549,1550,1551,
&end
#
# 18 ALA MB 24 ALA HA 3.50 (# 723:25 Unique 2.40, 3.00 A)
&rst
ixpk= 723, nxpk= 25, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 276, 277, 278,
&end
#
# 24 ALA MB 24 ALA HA 2.80 (# 724:25 Unique 2.33, 2.63 A)
&rst
ixpk= 724, nxpk= 25, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 376, 377, 378,
&end
#
# 27 PHE HB+ 24 ALA HA 3.50 (# 726:25 Unique 2.40, 3.36 A)
&rst
ixpk= 726, nxpk= 25, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 417, 418,
&end
#
# 27 PHE HD 24 ALA HA 5.50 (# 730:25 Unique 3.02, 4.66 A)
&rst
ixpk= 730, nxpk= 25, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 421, 429,
&end
#
# 24 ALA HN 24 ALA HA 3.50 (# 731:25 Unique 2.80, 2.83 A)
&rst
ixpk= 731, nxpk= 25, iat= 372, 374, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:732 24 ALA HA 3.50 (# 732:25 Single Ambig)
&rst
ixpk= 732, nxpk= 25, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 382, 401,
&end
#
# 28 SER HN 24 ALA HA 5.50 (# 733:25 Unique 3.82, 4.13 A)
&rst
ixpk= 733, nxpk= 25, iat= 433, 374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 TYR HN 24 ALA MB 5.50 (# 735:25 Unique 2.55, 3.99 A)
&rst
ixpk= 735, nxpk= 25, iat=1359, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 376, 377, 378,
&end
#
# 25 ILE HN 24 ALA MB 3.50 (# 736:25 Unique 2.49, 3.47 A)
&rst
ixpk= 736, nxpk= 25, iat= 382, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 376, 377, 378,
&end
#
# 24 ALA HN 24 ALA MB 2.80 (# 737:25 Unique 2.27, 2.84 A)
&rst
ixpk= 737, nxpk= 25, iat= 372, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 376, 377, 378,
&end
#
# 27 PHE HD 24 ALA MB 4.50 (# 738:25 Unique 4.47, 7.02 A)
&rst
ixpk= 738, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 421, 429,
igr2= 376, 377, 378,
&end
#
# 20 ASP HN 24 ALA MB 4.50 (# 739:25 Unique 3.87, 5.13 A)
&rst
ixpk= 739, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 376, 377, 378,
&end
#
# 24 ALA HA 24 ALA MB 2.80 (# 742:25 Unique 2.33, 2.63 A)
&rst
ixpk= 742, nxpk= 25, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 376, 377, 378,
&end
#
# 21 TRP HA 24 ALA MB 3.50 (# 743:25 Unique 2.16, 2.83 A)
&rst
ixpk= 743, nxpk= 25, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 376, 377, 378,
&end
#
# 21 TRP HB+ 24 ALA MB 5.50 (# 744:25 Unique 3.69, 4.82 A)
&rst
ixpk= 744, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 320, 321,
igr2= 376, 377, 378,
&end
#
# 88 VAL HB 24 ALA MB 4.50 (# 746:25 Unique 2.19, 3.69 A)
&rst
ixpk= 746, nxpk= 25, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 376, 377, 378,
&end
#
# 0 AMB 25-2:747 24 ALA MB 3.50 (# 747:25 Single Ambig)
&rst
ixpk= 747, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 361, 362, 364, 365,
igr2= 376, 377, 378,
&end
#
# 25 ILE QD1 25 ILE HA 3.50 (# 750:25 Unique 3.16, 4.03 A)
&rst
ixpk= 750, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 395, 396, 397,
&end
#
# 25 ILE HG1- 25 ILE HA 2.80 (# 751:25 Unique 2.59, 3.21 A)
&rst
ixpk= 751, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 392, 393,
&end
#
# 25 ILE HB 25 ILE HA 3.50 (# 752:25 Unique 3.00, 3.02 A)
&rst
ixpk= 752, nxpk= 25, iat= 386, 384, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:754 25 ILE HA 2.80 (# 754:25 Single Ambig)
&rst
ixpk= 754, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 382, 401,
&end
#
# 28 SER HN 25 ILE HA 4.50 (# 755:25 Unique 3.11, 3.21 A)
&rst
ixpk= 755, nxpk= 25, iat= 433, 384, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:756 25 ILE HB 3.50 (# 756:25 Single Ambig)
&rst
ixpk= 756, nxpk= 25, iat= -1, 386, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 382, 401,
&end
#
# 22 GLN HA 25 ILE HB 3.50 (# 757:25 Unique 3.25, 3.46 A)
&rst
ixpk= 757, nxpk= 25, iat= 342, 386, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:759 25 ILE HB 3.50 (# 759:25 Single Ambig)
&rst
ixpk= 759, nxpk= 25, iat= -1, 386, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 747, 748, 395, 396, 397,
&end
#
# 0 AMB 25-2:760 127 ILE HB 2.80 (# 760:25 Single Ambig)
&rst
ixpk= 760, nxpk= 25, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1920,1921,1922,1927,1928,1929,
&end
#
# 0 AMB 25-2:762 25 ILE HG1- 2.80 (# 762:25 Single Ambig)
&rst
ixpk= 762, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 747, 748, 395, 396, 397,
igr2= 392, 393,
&end
#
# 22 GLN HA 25 ILE HG1- 4.50 (# 763:25 Unique 2.67, 3.69 A)
&rst
ixpk= 763, nxpk= 25, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 392, 393,
&end
#
# 25 ILE HN 25 ILE HG1- 4.50 (# 767:25 Unique 2.20, 2.57 A)
&rst
ixpk= 767, nxpk= 25, iat= 382, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 392, 393,
&end
#
# 0 AMB 25-2:768 25 ILE QD1 4.50 (# 768:25 Single Ambig)
&rst
ixpk= 768, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 382, 401,
igr2= 395, 396, 397,
&end
#
# 46 ILE HN 25 ILE QD1 4.50 (# 769:25 Unique 4.84, 5.77 A)
&rst
ixpk= 769, nxpk= 25, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 395, 396, 397,
&end
#
# 44 GLN HE2- 25 ILE QD1 5.50 (# 773:25 Unique 6.37, 7.54 A)
&rst
ixpk= 773, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 706, 707,
igr2= 395, 396, 397,
&end
#
# 47 LYS HA 25 ILE QD1 5.50 (# 778:25 Unique 2.10, 3.08 A)
&rst
ixpk= 778, nxpk= 25, iat= 742, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 395, 396, 397,
&end
#
# 25 ILE HA 25 ILE QD1 4.50 (# 779:25 Unique 3.16, 4.03 A)
&rst
ixpk= 779, nxpk= 25, iat= 384, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 395, 396, 397,
&end
#
# 0 AMB 25-2:781 25 ILE QD1 5.50 (# 781:25 Single Ambig)
&rst
ixpk= 781, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 320, 321,1031,
igr2= 395, 396, 397,
&end
#
# 25 ILE HB 25 ILE QD1 4.50 (# 782:25 Unique 3.28, 3.78 A)
&rst
ixpk= 782, nxpk= 25, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 395, 396, 397,
&end
#
# 47 LYS HE+ 25 ILE QD1 5.50 (# 783:25 Unique 4.33, 5.44 A)
&rst
ixpk= 783, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 753, 754,
igr2= 395, 396, 397,
&end
#
# 0 AMB 25-2:784 25 ILE QD1 2.80 (# 784:25 Single Ambig)
&rst
ixpk= 784, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 392, 393, 725,
igr2= 395, 396, 397,
&end
#
# 0 AMB 25-2:785 25 ILE QD1 4.50 (# 785:25 Single Ambig)
&rst
ixpk= 785, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 320, 321, 809, 810,
igr2= 395, 396, 397,
&end
#
# 29 MET HG+ 25 ILE QG2 4.50 (# 788:25 Unique 2.23, 3.53 A)
&rst
ixpk= 788, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 451, 452,
igr2= 388, 389, 390,
&end
#
# 22 GLN HA 25 ILE QG2 5.50 (# 789:25 Unique 5.13, 5.80 A)
&rst
ixpk= 789, nxpk= 25, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 388, 389, 390,
&end
#
# 25 ILE HA 25 ILE QG2 2.80 (# 790:25 Unique 2.33, 3.08 A)
&rst
ixpk= 790, nxpk= 25, iat= 384, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 388, 389, 390,
&end
#
# 0 AMB 25-2:793 25 ILE QG2 3.50 (# 793:25 Single Ambig)
&rst
ixpk= 793, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 401, 382,
igr2= 388, 389, 390,
&end
#
# 126 GLU HN 126 GLU HA 2.80 (# 794:25 Unique 2.84, 2.85 A)
&rst
ixpk= 794, nxpk= 25, iat=1899,1901, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 ASP HB- 26 ASP HA 2.80 (# 796:25 Unique 2.43, 2.74 A)
&rst
ixpk= 796, nxpk= 25, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 405, 406,
&end
#
# 43 ILE QG2 26 ASP HA 3.50 (# 797:25 Unique 2.44, 3.26 A)
&rst
ixpk= 797, nxpk= 25, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 681, 682, 683,
&end
#
# 0 AMB 25-2:798 0 AMB 25-1:798 3.50 (# 798:25 Double Ambig)
&rst
ixpk= 798, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 388, 389, 390,1927,1928,1929,
igr2= 403,1901,
&end
#
# 29 MET HN 26 ASP HA 4.50 (# 799:25 Unique 3.36, 3.47 A)
&rst
ixpk= 799, nxpk= 25, iat= 444, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 PHE HN 26 ASP HB- 3.50 (# 801:25 Unique 2.38, 3.22 A)
&rst
ixpk= 801, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 405, 406,
&end
#
# 26 ASP HN 26 ASP HB- 2.80 (# 802:25 Unique 2.44, 2.56 A)
&rst
ixpk= 802, nxpk= 25, iat= 401, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 405, 406,
&end
#
# 26 ASP HA 26 ASP HB- 2.80 (# 803:25 Unique 2.43, 2.74 A)
&rst
ixpk= 803, nxpk= 25, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 405, 406,
&end
#
# 0 AMB 25-2:804 0 AMB 25-1:804 3.50 (# 804:25 Double Ambig)
&rst
ixpk= 804, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 359,1472,
igr2= 405, 406,1384,1385,
&end
#
# 15 ILE QD1 27 PHE HA 5.50 (# 807:25 Unique 4.34, 5.11 A)
&rst
ixpk= 807, nxpk= 25, iat= -1, 415, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 238, 239, 240,
&end
#
# 0 AMB 25-2:808 27 PHE HA 3.50 (# 808:25 Single Ambig)
&rst
ixpk= 808, nxpk= 25, iat= -1, 415, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
&end
#
# 30 VAL HB 27 PHE HA 4.50 (# 810:25 Unique 2.77, 3.27 A)
&rst
ixpk= 810, nxpk= 25, iat= 465, 415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 ASP HB+ 27 PHE HA 5.50 (# 811:25 Unique 4.25, 5.07 A)
&rst
ixpk= 811, nxpk= 25, iat= -1, 415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 405, 406,
&end
#
# 26 ASP HB- 27 PHE HA 5.50 (# 812:25 Unique 4.25, 5.07 A)
&rst
ixpk= 812, nxpk= 25, iat= -1, 415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 405, 406,
&end
#
# 27 PHE HB- 27 PHE HA 2.80 (# 813:25 Unique 2.34, 2.81 A)
&rst
ixpk= 813, nxpk= 25, iat= -1, 415, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 417, 418,
&end
#
# 27 PHE HD 27 PHE HA 5.50 (# 817:25 Unique 2.13, 3.41 A)
&rst
ixpk= 817, nxpk= 25, iat= -1, 415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 421, 429,
&end
#
# 29 MET HN 27 PHE HA 5.50 (# 818:25 Unique 3.74, 3.93 A)
&rst
ixpk= 818, nxpk= 25, iat= 444, 415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 VAL HN 27 PHE HA 4.50 (# 819:25 Unique 3.12, 3.41 A)
&rst
ixpk= 819, nxpk= 25, iat= 461, 415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 SER HN 27 PHE HA 4.50 (# 820:25 Unique 3.48, 3.59 A)
&rst
ixpk= 820, nxpk= 25, iat= 433, 415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 PHE HN 27 PHE HA 4.50 (# 821:25 Unique 2.82, 2.84 A)
&rst
ixpk= 821, nxpk= 25, iat= 413, 415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 PHE HN 27 PHE HB+ 3.50 (# 822:25 Unique 2.22, 2.89 A)
&rst
ixpk= 822, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 417, 418,
&end
#
# 27 PHE HN 27 PHE HB- 3.50 (# 823:25 Unique 2.22, 2.89 A)
&rst
ixpk= 823, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 417, 418,
&end
#
# 28 SER HN 27 PHE HB+ 3.50 (# 824:25 Unique 3.01, 3.48 A)
&rst
ixpk= 824, nxpk= 25, iat= 433, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 417, 418,
&end
#
# 28 SER HN 27 PHE HB- 3.50 (# 825:25 Unique 3.01, 3.48 A)
&rst
ixpk= 825, nxpk= 25, iat= 433, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 417, 418,
&end
#
# 27 PHE HA 27 PHE HB+ 3.50 (# 832:25 Unique 2.34, 2.81 A)
&rst
ixpk= 832, nxpk= 25, iat= 415, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 417, 418,
&end
#
# 27 PHE HA 27 PHE HB- 2.80 (# 833:25 Unique 2.34, 2.81 A)
&rst
ixpk= 833, nxpk= 25, iat= 415, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 417, 418,
&end
#
# 24 ALA HA 27 PHE HB+ 3.50 (# 834:25 Unique 2.40, 3.36 A)
&rst
ixpk= 834, nxpk= 25, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 417, 418,
&end
#
# 24 ALA HA 27 PHE HB- 3.50 (# 835:25 Unique 2.40, 3.36 A)
&rst
ixpk= 835, nxpk= 25, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 417, 418,
&end
#
# 24 ALA MB 27 PHE HB+ 5.50 (# 838:25 Unique 4.41, 5.77 A)
&rst
ixpk= 838, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 376, 377, 378,
igr2= 417, 418,
&end
#
# 24 ALA MB 27 PHE HB- 5.50 (# 839:25 Unique 4.41, 5.77 A)
&rst
ixpk= 839, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 376, 377, 378,
igr2= 417, 418,
&end
#
# 0 AMB 25-2:840 0 AMB 25-1:840 5.50 (# 840:25 Double Ambig)
&rst
ixpk= 840, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
igr2= 417, 418, 417, 418,
&end
#
# 0 AMB 25-2:841 27 PHE HB- 5.50 (# 841:25 Single Ambig)
&rst
ixpk= 841, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
igr2= 417, 418,
&end
#
# 82 THR MG2 27 PHE HB+ 3.50 (# 842:25 Unique 2.58, 4.50 A)
&rst
ixpk= 842, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1258,1259,1260,
igr2= 417, 418,
&end
#
# 82 THR MG2 27 PHE HB- 3.50 (# 843:25 Unique 2.58, 4.50 A)
&rst
ixpk= 843, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1258,1259,1260,
igr2= 417, 418,
&end
#
# 15 ILE QD1 27 PHE HB+ 3.50 (# 844:25 Unique 2.20, 3.80 A)
&rst
ixpk= 844, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 238, 239, 240,
igr2= 417, 418,
&end
#
# 15 ILE QD1 27 PHE HB- 3.50 (# 845:25 Unique 2.20, 3.80 A)
&rst
ixpk= 845, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 238, 239, 240,
igr2= 417, 418,
&end
#
# 0 AMB 25-2:846 28 SER HA 5.50 (# 846:25 Single Ambig)
&rst
ixpk= 846, nxpk= 25, iat= -1, 435, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1252,1233, 198,
&end
#
# 27 PHE HN 28 SER HA 5.50 (# 847:25 Unique 5.29, 5.35 A)
&rst
ixpk= 847, nxpk= 25, iat= 413, 435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 SER HN 28 SER HA 3.50 (# 848:25 Unique 2.83, 2.89 A)
&rst
ixpk= 848, nxpk= 25, iat= 433, 435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 VAL HN 28 SER HA 5.50 (# 849:25 Unique 4.33, 4.63 A)
&rst
ixpk= 849, nxpk= 25, iat= 461, 435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 MET HN 28 SER HA 4.50 (# 850:25 Unique 3.33, 3.46 A)
&rst
ixpk= 850, nxpk= 25, iat= 444, 435, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:857 28 SER HA 2.80 (# 857:25 Single Ambig)
&rst
ixpk= 857, nxpk= 25, iat= -1, 435, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 437, 438,1256,
&end
#
# 28 SER HB- 28 SER HA 2.80 (# 858:25 Unique 2.32, 2.70 A)
&rst
ixpk= 858, nxpk= 25, iat= -1, 435, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 437, 438,
&end
#
# 100 LEU HB+ 28 SER HA 4.50 (# 861:25 Unique 3.24, 4.52 A)
&rst
ixpk= 861, nxpk= 25, iat= -1, 435, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1540,1541,
&end
#
# 0 AMB 25-2:862 28 SER HA 5.50 (# 862:25 Single Ambig)
&rst
ixpk= 862, nxpk= 25, iat= -1, 435, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1025,1026, 455, 456, 457,
&end
#
# 0 AMB 25-2:863 28 SER HA 5.50 (# 863:25 Single Ambig)
&rst
ixpk= 863, nxpk= 25, iat= -1, 435, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=1540,1541, 467, 468, 469, 471, 472, 473, 467, 468,
469, 471, 472, 473,
&end
#
# 0 AMB 25-2:864 28 SER HA 4.50 (# 864:25 Single Ambig)
&rst
ixpk= 864, nxpk= 25, iat= -1, 435, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1258,1259,1260,1545,1546,1547,1549,1550,1551,
&end
#
# 100 LEU MDX 28 SER HB+ 4.50 (# 866:25 Unique 2.01, 4.48 A)
&rst
ixpk= 866, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1545,1546,1547,1549,1550,1551,
igr2= 437, 438,
&end
#
# 100 LEU HB- 28 SER HB+ 4.50 (# 867:25 Unique 2.46, 3.89 A)
&rst
ixpk= 867, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1540,1541,
igr2= 437, 438,
&end
#
# 0 AMB 25-2:868 0 AMB 25-1:868 3.50 (# 868:25 Double Ambig)
&rst
ixpk= 868, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1545,1546,1547,1549,1550,1551,1349,1350,1351,1353,
1354,1355,
igr2= 437, 438, 265, 266,
&end
#
# 100 LEU HB- 28 SER HB- 5.50 (# 869:25 Unique 2.46, 3.89 A)
&rst
ixpk= 869, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1540,1541,
igr2= 437, 438,
&end
#
# 100 LEU HB+ 28 SER HB+ 4.50 (# 870:25 Unique 2.46, 3.89 A)
&rst
ixpk= 870, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1540,1541,
igr2= 437, 438,
&end
#
# 0 AMB 25-2:872 0 AMB 25-1:872 4.50 (# 872:25 Double Ambig)
&rst
ixpk= 872, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1025,1026, 455, 456, 457,
igr2= 437, 438, 437, 438,
&end
#
# 0 AMB 25-2:873 0 AMB 25-1:873 3.50 (# 873:25 Double Ambig)
&rst
ixpk= 873, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1323,1324,1025,1026,
igr2= 265, 266, 437, 438,
&end
#
# 0 AMB 25-2:874 0 AMB 25-1:874 5.50 (# 874:25 Double Ambig)
&rst
ixpk= 874, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1022,1023,1576,1577,
igr2= 437, 438, 437, 438,
&end
#
# 28 SER HA 28 SER HB+ 2.80 (# 875:25 Unique 2.32, 2.70 A)
&rst
ixpk= 875, nxpk= 25, iat= 435, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 437, 438,
&end
#
# 67 HIS HN 28 SER HB+ 5.50 (# 881:25 Unique 4.97, 6.22 A)
&rst
ixpk= 881, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 437, 438,
&end
#
# 29 MET HN 28 SER HB+ 5.50 (# 882:25 Unique 3.10, 3.93 A)
&rst
ixpk= 882, nxpk= 25, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 437, 438,
&end
#
# 0 AMB 25-2:884 0 AMB 25-1:884 5.50 (# 884:25 Double Ambig)
&rst
ixpk= 884, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1574, 382, 401,
igr2= 437, 438, 437, 438, 437, 438,
&end
#
# 28 SER HN 28 SER HB+ 3.50 (# 885:25 Unique 2.30, 2.85 A)
&rst
ixpk= 885, nxpk= 25, iat= 433, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 437, 438,
&end
#
# 28 SER HN 28 SER HB- 4.50 (# 886:25 Unique 2.30, 2.85 A)
&rst
ixpk= 886, nxpk= 25, iat= 433, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 437, 438,
&end
#
# 30 VAL HN 29 MET HA 4.50 (# 887:25 Unique 3.42, 3.49 A)
&rst
ixpk= 887, nxpk= 25, iat= 461, 446, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 MET HN 29 MET HA 3.50 (# 888:25 Unique 2.98, 2.99 A)
&rst
ixpk= 888, nxpk= 25, iat= 444, 446, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 LEU HN 29 MET HA 4.50 (# 889:25 Unique 3.52, 3.63 A)
&rst
ixpk= 889, nxpk= 25, iat= 488, 446, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 MET HG- 29 MET HA 3.50 (# 891:25 Unique 2.74, 3.47 A)
&rst
ixpk= 891, nxpk= 25, iat= -1, 446, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 451, 452,
&end
#
# 0 AMB 25-2:892 29 MET HA 2.80 (# 892:25 Single Ambig)
&rst
ixpk= 892, nxpk= 25, iat= -1, 446, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 455, 456, 457, 448, 449,
&end
#
# 32 LEU HG 29 MET HA 4.50 (# 893:25 Unique 3.30, 3.79 A)
&rst
ixpk= 893, nxpk= 25, iat= 495, 446, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:894 29 MET HA 5.50 (# 894:25 Single Ambig)
&rst
ixpk= 894, nxpk= 25, iat= -1, 446, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 605, 606,1540,1541,
&end
#
# 0 AMB 25-2:895 29 MET HA 3.50 (# 895:25 Single Ambig)
&rst
ixpk= 895, nxpk= 25, iat= -1, 446, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 608, 609, 610, 688, 689, 690,
&end
#
# 32 LEU MDX 29 MET HA 3.50 (# 896:25 Unique 2.82, 5.21 A)
&rst
ixpk= 896, nxpk= 25, iat= -1, 446, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 25-2:897 29 MET HA 5.50 (# 897:25 Single Ambig)
&rst
ixpk= 897, nxpk= 25, iat= -1, 446, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 734, 735, 736, 601, 602, 603,
&end
#
# 29 MET HG+ 29 MET HB- 4.50 (# 898:25 Unique 2.22, 2.62 A)
&rst
ixpk= 898, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 451, 452,
igr2= 448, 449,
&end
#
# 29 MET HG+ 29 MET HB+ 4.50 (# 899:25 Unique 2.22, 2.62 A)
&rst
ixpk= 899, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 451, 452,
igr2= 448, 449,
&end
#
# 29 MET HA 29 MET HB- 4.50 (# 900:25 Unique 2.33, 2.71 A)
&rst
ixpk= 900, nxpk= 25, iat= 446, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 448, 449,
&end
#
# 29 MET HA 29 MET HB+ 4.50 (# 901:25 Unique 2.33, 2.71 A)
&rst
ixpk= 901, nxpk= 25, iat= 446, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 448, 449,
&end
#
# 29 MET HN 29 MET HB- 4.50 (# 902:25 Unique 2.40, 3.15 A)
&rst
ixpk= 902, nxpk= 25, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 448, 449,
&end
#
# 29 MET HN 29 MET HB+ 4.50 (# 903:25 Unique 2.40, 3.15 A)
&rst
ixpk= 903, nxpk= 25, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 448, 449,
&end
#
# 26 ASP HN 29 MET HB+ 5.50 (# 904:25 Unique 5.25, 6.30 A)
&rst
ixpk= 904, nxpk= 25, iat= 401, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 448, 449,
&end
#
# 29 MET HN 29 MET HG+ 4.50 (# 905:25 Unique 2.67, 3.35 A)
&rst
ixpk= 905, nxpk= 25, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 451, 452,
&end
#
# 29 MET HN 29 MET HG- 4.50 (# 906:25 Unique 2.67, 3.35 A)
&rst
ixpk= 906, nxpk= 25, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 451, 452,
&end
#
# 116 GLN HN 116 GLN HG+ 3.50 (# 908:25 Unique 2.34, 3.00 A)
&rst
ixpk= 908, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1755,1756,
&end
#
# 29 MET HA 29 MET HG+ 5.50 (# 909:25 Unique 2.74, 3.47 A)
&rst
ixpk= 909, nxpk= 25, iat= 446, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 451, 452,
&end
#
# 29 MET HA 29 MET HG- 4.50 (# 910:25 Unique 2.74, 3.47 A)
&rst
ixpk= 910, nxpk= 25, iat= 446, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 451, 452,
&end
#
# 116 GLN HA 116 GLN HG+ 3.50 (# 913:25 Unique 2.41, 3.09 A)
&rst
ixpk= 913, nxpk= 25, iat=1750, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1755,1756,
&end
#
# 43 ILE HA 29 MET HG+ 5.50 (# 914:25 Unique 2.75, 3.80 A)
&rst
ixpk= 914, nxpk= 25, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 451, 452,
&end
#
# 29 MET HB+ 29 MET HG+ 3.50 (# 918:25 Unique 2.22, 2.62 A)
&rst
ixpk= 918, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 448, 449,
igr2= 451, 452,
&end
#
# 0 AMB 25-2:919 29 MET HG- 2.80 (# 919:25 Single Ambig)
&rst
ixpk= 919, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
igr1= 685, 686, 448, 449, 455, 456, 457,
igr2= 451, 452,
&end
#
# 0 AMB 25-2:920 0 AMB 25-1:920 2.80 (# 920:25 Double Ambig)
&rst
ixpk= 920, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1= 685, 686, 448, 449, 455, 456, 457,
igr2= 451, 452, 451, 452, 451, 452,
&end
#
# 0 AMB 25-2:921 0 AMB 25-1:921 4.50 (# 921:25 Double Ambig)
&rst
ixpk= 921, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 688, 689, 690, 608, 609, 610,
igr2= 451, 452, 451, 452,
&end
#
# 0 AMB 25-2:922 29 MET HG- 4.50 (# 922:25 Single Ambig)
&rst
ixpk= 922, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 688, 689, 690, 608, 609, 610,
igr2= 451, 452,
&end
#
# 43 ILE QG2 29 MET HG+ 4.50 (# 923:25 Unique 2.14, 4.17 A)
&rst
ixpk= 923, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 681, 682, 683,
igr2= 451, 452,
&end
#
# 25 ILE QG2 29 MET HG+ 4.50 (# 925:25 Unique 2.23, 3.53 A)
&rst
ixpk= 925, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 388, 389, 390,
igr2= 451, 452,
&end
#
# 43 ILE HG1- 29 MET HG+ 4.50 (# 926:25 Unique 2.17, 4.08 A)
&rst
ixpk= 926, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 685, 686,
igr2= 451, 452,
&end
#
# 46 ILE QD1 29 MET HG+ 4.50 (# 927:25 Unique 2.17, 3.85 A)
&rst
ixpk= 927, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 734, 735, 736,
igr2= 451, 452,
&end
#
# 112 ILE QG2 116 GLN HG+ 3.50 (# 928:25 Unique 2.92, 3.98 A)
&rst
ixpk= 928, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1699,1700,1701,
igr2=1755,1756,
&end
#
# 0 AMB 25-2:929 0 AMB 25-1:929 2.80 (# 929:25 Double Ambig)
&rst
ixpk= 929, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1735,1736,1737, 727, 728, 729,
igr2=1755,1756, 451, 452,
&end
#
# 32 LEU MDY 29 MET ME 5.50 (# 930:25 Unique 2.21, 5.41 A)
&rst
ixpk= 930, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 455, 456, 457,
&end
#
# 46 ILE QD1 29 MET ME 2.80 (# 931:25 Unique 2.61, 4.23 A)
&rst
ixpk= 931, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 734, 735, 736,
igr2= 455, 456, 457,
&end
#
# 32 LEU MDX 29 MET ME 2.80 (# 932:25 Unique 2.21, 5.41 A)
&rst
ixpk= 932, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 455, 456, 457,
&end
#
# 38 ILE QD1 29 MET ME 4.50 (# 933:25 Unique 3.26, 5.34 A)
&rst
ixpk= 933, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 608, 609, 610,
igr2= 455, 456, 457,
&end
#
# 0 AMB 25-2:934 29 MET ME 5.50 (# 934:25 Single Ambig)
&rst
ixpk= 934, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 492, 493,1585,1586,
igr2= 455, 456, 457,
&end
#
# 66 PRO HB- 29 MET ME 3.50 (# 935:25 Unique 2.91, 5.22 A)
&rst
ixpk= 935, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1028,1029,
igr2= 455, 456, 457,
&end
#
# 29 MET HB+ 29 MET ME 2.80 (# 936:25 Unique 2.64, 4.32 A)
&rst
ixpk= 936, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 448, 449,
igr2= 455, 456, 457,
&end
#
# 29 MET HG- 29 MET ME 3.50 (# 937:25 Unique 2.38, 3.57 A)
&rst
ixpk= 937, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 451, 452,
igr2= 455, 456, 457,
&end
#
# 29 MET HG+ 29 MET ME 3.50 (# 938:25 Unique 2.38, 3.57 A)
&rst
ixpk= 938, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 451, 452,
igr2= 455, 456, 457,
&end
#
# 102 GLY HA+ 29 MET ME 3.50 (# 939:25 Unique 2.12, 3.03 A)
&rst
ixpk= 939, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1576,1577,
igr2= 455, 456, 457,
&end
#
# 102 GLY HA- 29 MET ME 3.50 (# 940:25 Unique 2.12, 3.03 A)
&rst
ixpk= 940, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1576,1577,
igr2= 455, 456, 457,
&end
#
# 29 MET HA 29 MET ME 4.50 (# 943:25 Unique 2.00, 3.17 A)
&rst
ixpk= 943, nxpk= 25, iat= 446, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 455, 456, 457,
&end
#
# 67 HIS HD2 29 MET ME 5.50 (# 945:25 Unique 5.22, 6.62 A)
&rst
ixpk= 945, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 455, 456, 457,
&end
#
# 103 LEU HN 29 MET ME 3.50 (# 946:25 Unique 2.12, 3.48 A)
&rst
ixpk= 946, nxpk= 25, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 455, 456, 457,
&end
#
# 29 MET HN 29 MET ME 4.50 (# 947:25 Unique 4.14, 5.11 A)
&rst
ixpk= 947, nxpk= 25, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 455, 456, 457,
&end
#
# 34 ASP HN 30 VAL HA 4.50 (# 948:25 Unique 3.52, 3.65 A)
&rst
ixpk= 948, nxpk= 25, iat= 526, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 LEU HN 30 VAL HA 4.50 (# 949:25 Unique 3.04, 3.16 A)
&rst
ixpk= 949, nxpk= 25, iat= 507, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 SER HN 30 VAL HA 4.50 (# 950:25 Unique 3.60, 3.63 A)
&rst
ixpk= 950, nxpk= 25, iat= 477, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 VAL HN 30 VAL HA 3.50 (# 951:25 Unique 2.67, 2.71 A)
&rst
ixpk= 951, nxpk= 25, iat= 461, 463, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 MET HN 30 VAL HA 5.50 (# 952:25 Unique 4.41, 4.60 A)
&rst
ixpk= 952, nxpk= 25, iat= 444, 463, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 VAL HB 30 VAL HA 2.80 (# 953:25 Unique 2.40, 2.43 A)
&rst
ixpk= 953, nxpk= 25, iat= 465, 463, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 LEU HB- 30 VAL HA 3.50 (# 954:25 Unique 2.19, 2.63 A)
&rst
ixpk= 954, nxpk= 25, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 511, 512,
&end
#
# 33 LEU HB+ 30 VAL HA 4.50 (# 955:25 Unique 2.19, 2.63 A)
&rst
ixpk= 955, nxpk= 25, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 511, 512,
&end
#
# 0 AMB 25-2:956 30 VAL HA 3.50 (# 956:25 Single Ambig)
&rst
ixpk= 956, nxpk= 25, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
&end
#
# 0 AMB 25-2:957 30 VAL HA 3.50 (# 957:25 Single Ambig)
&rst
ixpk= 957, nxpk= 25, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 688, 689, 690, 608, 609, 610,
&end
#
# 33 LEU HG 30 VAL HA 4.50 (# 958:25 Unique 3.86, 4.39 A)
&rst
ixpk= 958, nxpk= 25, iat= 514, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:959 30 VAL HB 2.80 (# 959:25 Single Ambig)
&rst
ixpk= 959, nxpk= 25, iat= -1, 465, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
&end
#
# 30 VAL HA 30 VAL HB 2.80 (# 960:25 Unique 2.40, 2.43 A)
&rst
ixpk= 960, nxpk= 25, iat= 463, 465, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 30 VAL HN 30 VAL HB 2.80 (# 961:25 Unique 2.38, 2.42 A)
&rst
ixpk= 961, nxpk= 25, iat= 461, 465, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 31 SER HN 30 VAL HB 4.50 (# 962:25 Unique 4.10, 4.16 A)
&rst
ixpk= 962, nxpk= 25, iat= 477, 465, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 VAL HN 30 VAL MGX 3.50 (# 963:25 Unique 2.24, 3.86 A)
&rst
ixpk= 963, nxpk= 25, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 27 PHE HA 30 VAL MGX 3.50 (# 964:25 Unique 2.68, 4.39 A)
&rst
ixpk= 964, nxpk= 25, iat= 415, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 30 VAL HA 30 VAL MGX 3.50 (# 965:25 Unique 2.42, 3.53 A)
&rst
ixpk= 965, nxpk= 25, iat= 463, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 30 VAL HB 30 VAL MGX 2.80 (# 966:25 Unique 2.42, 2.65 A)
&rst
ixpk= 966, nxpk= 25, iat= 465, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 31 SER HN 30 VAL MGY 3.50 (# 967:25 Unique 2.45, 3.90 A)
&rst
ixpk= 967, nxpk= 25, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 30 VAL HN 30 VAL MGY 4.50 (# 968:25 Unique 2.24, 3.86 A)
&rst
ixpk= 968, nxpk= 25, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 27 PHE HA 30 VAL MGY 3.50 (# 969:25 Unique 2.68, 4.39 A)
&rst
ixpk= 969, nxpk= 25, iat= 415, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 31 SER HA 30 VAL MGY 3.50 (# 970:25 Unique 3.54, 4.74 A)
&rst
ixpk= 970, nxpk= 25, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 30 VAL HA 30 VAL MGY 2.80 (# 971:25 Unique 2.42, 3.53 A)
&rst
ixpk= 971, nxpk= 25, iat= 463, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 30 VAL HB 30 VAL MGY 2.80 (# 972:25 Unique 2.42, 2.65 A)
&rst
ixpk= 972, nxpk= 25, iat= 465, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 0 AMB 25-2:974 31 SER HA 2.80 (# 974:25 Single Ambig)
&rst
ixpk= 974, nxpk= 25, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
&end
#
# 34 ASP HB+ 31 SER HA 3.50 (# 977:25 Unique 2.83, 3.36 A)
&rst
ixpk= 977, nxpk= 25, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 530, 531,
&end
#
# 34 ASP HB- 31 SER HA 3.50 (# 978:25 Unique 2.83, 3.36 A)
&rst
ixpk= 978, nxpk= 25, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 530, 531,
&end
#
# 31 SER HB+ 31 SER HA 3.50 (# 979:25 Unique 2.25, 2.71 A)
&rst
ixpk= 979, nxpk= 25, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 481, 482,
&end
#
# 31 SER HB- 31 SER HA 3.50 (# 980:25 Unique 2.25, 2.71 A)
&rst
ixpk= 980, nxpk= 25, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 481, 482,
&end
#
# 31 SER HN 31 SER HA 3.50 (# 984:25 Unique 2.78, 2.80 A)
&rst
ixpk= 984, nxpk= 25, iat= 477, 479, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 LEU HN 31 SER HA 5.50 (# 985:25 Unique 4.55, 4.66 A)
&rst
ixpk= 985, nxpk= 25, iat= 507, 479, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 ASP HN 31 SER HA 4.50 (# 986:25 Unique 3.60, 3.75 A)
&rst
ixpk= 986, nxpk= 25, iat= 526, 479, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ASP HN 47 LYS HA 5.50 (# 987:25 Unique 3.56, 3.60 A)
&rst
ixpk= 987, nxpk= 25, iat= 762, 742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 SER HN 31 SER HB- 3.50 (# 988:25 Unique 2.39, 3.13 A)
&rst
ixpk= 988, nxpk= 25, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 481, 482,
&end
#
# 31 SER HN 31 SER HB+ 4.50 (# 989:25 Unique 2.39, 3.13 A)
&rst
ixpk= 989, nxpk= 25, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 481, 482,
&end
#
# 32 LEU HN 31 SER HB+ 5.50 (# 990:25 Unique 2.66, 3.48 A)
&rst
ixpk= 990, nxpk= 25, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 481, 482,
&end
#
# 11 SER HA 31 SER HB+ 4.50 (# 992:25 Unique 1.96, 2.46 A)
&rst
ixpk= 992, nxpk= 25, iat= 170, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 481, 482,
&end
#
# 31 SER HA 31 SER HB+ 3.50 (# 993:25 Unique 2.25, 2.71 A)
&rst
ixpk= 993, nxpk= 25, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 481, 482,
&end
#
# 31 SER HA 31 SER HB- 2.80 (# 994:25 Unique 2.25, 2.71 A)
&rst
ixpk= 994, nxpk= 25, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 481, 482,
&end
#
# 32 LEU HB- 32 LEU HA 3.50 (# 999:25 Unique 2.47, 2.79 A)
&rst
ixpk= 999, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 492, 493,
&end
#
# 32 LEU HB+ 32 LEU HA 3.50 (# 1000:25 Unique 2.47, 2.79 A)
&rst
ixpk= 1000, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 492, 493,
&end
#
# 32 LEU HG 32 LEU HA 3.50 (# 1001:25 Unique 2.93, 3.10 A)
&rst
ixpk= 1001, nxpk= 25, iat= 495, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 LYS HB+ 32 LEU HA 5.50 (# 1002:25 Unique 3.46, 5.08 A)
&rst
ixpk= 1002, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 542, 543,
&end
#
# 37 TYR HB- 32 LEU HA 4.50 (# 1003:25 Unique 2.22, 3.18 A)
&rst
ixpk= 1003, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 578, 579,
&end
#
# 37 TYR HB+ 32 LEU HA 3.50 (# 1004:25 Unique 2.22, 3.18 A)
&rst
ixpk= 1004, nxpk= 25, iat= -1, 490, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 578, 579,
&end
#
# 32 LEU HN 32 LEU HA 3.50 (# 1005:25 Unique 2.89, 2.94 A)
&rst
ixpk= 1005, nxpk= 25, iat= 488, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 LYS HN 32 LEU HA 4.50 (# 1006:25 Unique 3.61, 3.80 A)
&rst
ixpk= 1006, nxpk= 25, iat= 538, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 LEU HN 32 LEU HA 4.50 (# 1007:25 Unique 3.59, 3.60 A)
&rst
ixpk= 1007, nxpk= 25, iat= 507, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 TYR HN 32 LEU HA 4.50 (# 1008:25 Unique 3.46, 3.64 A)
&rst
ixpk= 1008, nxpk= 25, iat= 574, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 LEU HN 32 LEU HB+ 4.50 (# 1009:25 Unique 2.44, 3.10 A)
&rst
ixpk= 1009, nxpk= 25, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 492, 493,
&end
#
# 32 LEU HN 32 LEU HB+ 3.50 (# 1011:25 Unique 2.32, 3.00 A)
&rst
ixpk= 1011, nxpk= 25, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 492, 493,
&end
#
# 32 LEU HN 32 LEU HB- 4.50 (# 1012:25 Unique 2.32, 3.00 A)
&rst
ixpk= 1012, nxpk= 25, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 492, 493,
&end
#
# 37 TYR HB+ 32 LEU HB- 4.50 (# 1013:25 Unique 2.15, 3.43 A)
&rst
ixpk= 1013, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 578, 579,
igr2= 492, 493,
&end
#
# 37 TYR HB- 32 LEU HB- 5.50 (# 1014:25 Unique 2.15, 3.43 A)
&rst
ixpk= 1014, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 578, 579,
igr2= 492, 493,
&end
#
# 32 LEU HG 32 LEU HB- 3.50 (# 1016:25 Unique 2.45, 2.77 A)
&rst
ixpk= 1016, nxpk= 25, iat= 495, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 492, 493,
&end
#
# 32 LEU MDX 32 LEU HB+ 3.50 (# 1020:25 Unique 2.43, 3.34 A)
&rst
ixpk= 1020, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 492, 493,
&end
#
# 32 LEU MDX 32 LEU HB- 3.50 (# 1021:25 Unique 2.43, 3.34 A)
&rst
ixpk= 1021, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 492, 493,
&end
#
# 0 AMB 25-2:1022 0 AMB 25-1:1022 4.50 (# 1022:25 Double Ambig)
&rst
ixpk= 1022, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=2188,2189,2190, 601, 602, 603, 605, 606,
igr2= 49, 50, 492, 493, 492, 493,
&end
#
# 0 AMB 25-2:1023 32 LEU HB- 4.50 (# 1023:25 Single Ambig)
&rst
ixpk= 1023, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 601, 602, 603, 605, 606,
igr2= 492, 493,
&end
#
# 32 LEU MDY 32 LEU HB+ 4.50 (# 1024:25 Unique 2.43, 3.34 A)
&rst
ixpk= 1024, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 492, 493,
&end
#
# 32 LEU MDY 32 LEU HB- 4.50 (# 1025:25 Unique 2.43, 3.34 A)
&rst
ixpk= 1025, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 492, 493,
&end
#
# 32 LEU HN 32 LEU MDX 4.50 (# 1027:25 Unique 3.47, 4.51 A)
&rst
ixpk= 1027, nxpk= 25, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 104 SER HB+ 32 LEU MDX 3.50 (# 1028:25 Unique 2.16, 4.66 A)
&rst
ixpk= 1028, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1604,1605,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 25-2:1029 32 LEU MDX 2.80 (# 1029:25 Single Ambig)
&rst
ixpk= 1029, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 455, 456, 457, 492, 493,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 32 LEU HB- 32 LEU MDY 4.50 (# 1033:25 Unique 2.43, 3.34 A)
&rst
ixpk= 1033, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 492, 493,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 32 LEU HG 32 LEU MDY 2.80 (# 1034:25 Unique 2.39, 2.65 A)
&rst
ixpk= 1034, nxpk= 25, iat= 495, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 25-2:1036 32 LEU MDY 3.50 (# 1036:25 Single Ambig)
&rst
ixpk= 1036, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 455, 456, 457, 492, 493,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 37 TYR HB- 32 LEU MDY 4.50 (# 1037:25 Unique 2.55, 4.36 A)
&rst
ixpk= 1037, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 578, 579,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 37 TYR HB+ 32 LEU MDY 3.50 (# 1039:25 Unique 2.55, 4.36 A)
&rst
ixpk= 1039, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 578, 579,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 104 SER HB+ 32 LEU MDY 4.50 (# 1041:25 Unique 2.16, 4.66 A)
&rst
ixpk= 1041, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1604,1605,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 25-2:1042 32 LEU MDY 2.80 (# 1042:25 Single Ambig)
&rst
ixpk= 1042, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 490, 129, 130,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 8 PRO HD- 32 LEU MDY 4.50 (# 1043:25 Unique 2.82, 5.43 A)
&rst
ixpk= 1043, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 129, 130,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 25-2:1044 32 LEU MDY 5.50 (# 1044:25 Single Ambig)
&rst
ixpk= 1044, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1226,1227,1602,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 78 GLY HA+ 32 LEU MDY 5.50 (# 1045:25 Unique 2.79, 5.17 A)
&rst
ixpk= 1045, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1200,1201,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 29 MET HA 32 LEU MDY 5.50 (# 1047:25 Unique 2.82, 5.21 A)
&rst
ixpk= 1047, nxpk= 25, iat= 446, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 7 PHE HA 32 LEU MDY 5.50 (# 1048:25 Unique 4.19, 6.40 A)
&rst
ixpk= 1048, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 79 MET HA 32 LEU MDY 5.50 (# 1049:25 Unique 2.37, 3.89 A)
&rst
ixpk= 1049, nxpk= 25, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 32 LEU HN 32 LEU MDY 3.50 (# 1051:25 Unique 3.47, 4.51 A)
&rst
ixpk= 1051, nxpk= 25, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 37 TYR HD 32 LEU MDY 5.50 (# 1052:25 Unique 3.08, 5.46 A)
&rst
ixpk= 1052, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 582, 591,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 35 LYS HN 32 LEU MDY 5.50 (# 1054:25 Unique 5.39, 7.43 A)
&rst
ixpk= 1054, nxpk= 25, iat= 538, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 79 MET HN 32 LEU MDY 4.50 (# 1055:25 Unique 2.56, 4.51 A)
&rst
ixpk= 1055, nxpk= 25, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 25-2:1056 32 LEU MDY 4.50 (# 1056:25 Single Ambig)
&rst
ixpk= 1056, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1222, 507,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 104 SER HN 32 LEU MDY 5.50 (# 1057:25 Unique 3.17, 4.51 A)
&rst
ixpk= 1057, nxpk= 25, iat=1600, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 37 TYR HN 32 LEU MDY 5.50 (# 1058:25 Unique 4.98, 6.40 A)
&rst
ixpk= 1058, nxpk= 25, iat= 574, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 78 GLY HN 32 LEU MDY 5.50 (# 1059:25 Unique 4.14, 5.32 A)
&rst
ixpk= 1059, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 37 TYR HN 33 LEU HA 5.50 (# 1060:25 Unique 3.62, 3.77 A)
&rst
ixpk= 1060, nxpk= 25, iat= 574, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 LEU HN 33 LEU HA 3.50 (# 1061:25 Unique 2.77, 2.78 A)
&rst
ixpk= 1061, nxpk= 25, iat= 507, 509, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ASN HN 33 LEU HA 4.50 (# 1062:25 Unique 3.77, 3.86 A)
&rst
ixpk= 1062, nxpk= 25, iat= 560, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 ILE HN 33 LEU HA 3.50 (# 1063:25 Unique 2.97, 3.05 A)
&rst
ixpk= 1063, nxpk= 25, iat= 595, 509, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 LEU HB- 33 LEU HA 3.50 (# 1065:25 Unique 2.48, 2.77 A)
&rst
ixpk= 1065, nxpk= 25, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 511, 512,
&end
#
# 33 LEU MDY 33 LEU HA 4.50 (# 1066:25 Unique 2.12, 3.71 A)
&rst
ixpk= 1066, nxpk= 25, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 516, 517, 518, 520, 521, 522,
&end
#
# 33 LEU HB+ 33 LEU HA 3.50 (# 1067:25 Unique 2.48, 2.77 A)
&rst
ixpk= 1067, nxpk= 25, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 511, 512,
&end
#
# 38 ILE HG1+ 33 LEU HA 2.80 (# 1068:25 Unique 2.16, 2.37 A)
&rst
ixpk= 1068, nxpk= 25, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 605, 606,
&end
#
# 0 AMB 25-2:1069 33 LEU HA 2.80 (# 1069:25 Single Ambig)
&rst
ixpk= 1069, nxpk= 25, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 608, 609, 610, 688, 689, 690,
&end
#
# 33 LEU MDX 33 LEU HA 2.80 (# 1070:25 Unique 2.12, 3.71 A)
&rst
ixpk= 1070, nxpk= 25, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 516, 517, 518, 520, 521, 522,
&end
#
# 38 ILE HG1- 33 LEU HA 3.50 (# 1071:25 Unique 2.16, 2.37 A)
&rst
ixpk= 1071, nxpk= 25, iat= -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 605, 606,
&end
#
# 83 LEU MDX 131 LEU HB+ 2.80 (# 1072:25 Unique 3.07, 5.63 A)
&rst
ixpk= 1072, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1988,1989,
&end
#
# 0 AMB 25-2:1073 0 AMB 25-1:1073 2.80 (# 1073:25 Double Ambig)
&rst
ixpk= 1073, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
igr1= 514, 516, 517, 518, 520, 521, 522,
igr2= 511, 512, 511, 512,
&end
#
# 33 LEU MDY 33 LEU HB- 3.50 (# 1075:25 Unique 2.35, 3.42 A)
&rst
ixpk= 1075, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 516, 517, 518, 520, 521, 522,
igr2= 511, 512,
&end
#
# 33 LEU HA 33 LEU HB- 4.50 (# 1079:25 Unique 2.48, 2.77 A)
&rst
ixpk= 1079, nxpk= 25, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 511, 512,
&end
#
# 30 VAL HA 33 LEU HB+ 3.50 (# 1080:25 Unique 2.19, 2.63 A)
&rst
ixpk= 1080, nxpk= 25, iat= 463, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 511, 512,
&end
#
# 33 LEU HN 33 LEU HB- 3.50 (# 1081:25 Unique 2.25, 2.45 A)
&rst
ixpk= 1081, nxpk= 25, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 511, 512,
&end
#
# 34 ASP HN 33 LEU HB- 3.50 (# 1082:25 Unique 2.29, 3.08 A)
&rst
ixpk= 1082, nxpk= 25, iat= 526, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 511, 512,
&end
#
# 34 ASP HN 33 LEU HB+ 4.50 (# 1083:25 Unique 2.29, 3.08 A)
&rst
ixpk= 1083, nxpk= 25, iat= 526, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 511, 512,
&end
#
# 34 ASP HN 33 LEU HG 4.50 (# 1084:25 Unique 3.69, 4.20 A)
&rst
ixpk= 1084, nxpk= 25, iat= 526, 514, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 LEU HN 33 LEU HG 4.50 (# 1085:25 Unique 4.42, 4.49 A)
&rst
ixpk= 1085, nxpk= 25, iat= 507, 514, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 LEU HA 33 LEU HG 4.50 (# 1086:25 Unique 3.03, 3.30 A)
&rst
ixpk= 1086, nxpk= 25, iat= 509, 514, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1087 100 LEU MDX 2.80 (# 1087:25 Single Ambig)
&rst
ixpk= 1087, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 437, 438,1256,
igr2=1545,1546,1547,1549,1550,1551,
&end
#
# 40 GLU HG+ 33 LEU HG 3.50 (# 1089:25 Unique 3.27, 4.06 A)
&rst
ixpk= 1089, nxpk= 25, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 632, 633,
&end
#
# 0 AMB 25-2:1090 33 LEU HG 2.80 (# 1090:25 Single Ambig)
&rst
ixpk= 1090, nxpk= 25, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 511, 512, 632, 633,
&end
#
# 33 LEU HB+ 33 LEU HG 2.80 (# 1091:25 Unique 2.29, 2.63 A)
&rst
ixpk= 1091, nxpk= 25, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 511, 512,
&end
#
# 33 LEU MDY 33 LEU HG 2.80 (# 1092:25 Unique 2.35, 2.64 A)
&rst
ixpk= 1092, nxpk= 25, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 516, 517, 518, 520, 521, 522,
&end
#
# 34 ASP HB+ 34 ASP HA 2.80 (# 1093:25 Unique 2.42, 2.76 A)
&rst
ixpk= 1093, nxpk= 25, iat= -1, 528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 530, 531,
&end
#
# 34 ASP HB- 34 ASP HA 2.80 (# 1094:25 Unique 2.42, 2.76 A)
&rst
ixpk= 1094, nxpk= 25, iat= -1, 528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 530, 531,
&end
#
# 35 LYS HN 34 ASP HA 4.50 (# 1095:25 Unique 3.43, 3.51 A)
&rst
ixpk= 1095, nxpk= 25, iat= 538, 528, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 ASN HN 34 ASP HA 3.50 (# 1096:25 Unique 3.55, 3.64 A)
&rst
ixpk= 1096, nxpk= 25, iat= 560, 528, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ASP HN 34 ASP HA 2.80 (# 1097:25 Unique 2.75, 2.78 A)
&rst
ixpk= 1097, nxpk= 25, iat= 526, 528, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 ASP HN 34 ASP HB- 2.80 (# 1098:25 Unique 2.31, 2.44 A)
&rst
ixpk= 1098, nxpk= 25, iat= 526, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 530, 531,
&end
#
# 35 LYS HN 34 ASP HB+ 3.50 (# 1100:25 Unique 2.70, 3.58 A)
&rst
ixpk= 1100, nxpk= 25, iat= 538, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 530, 531,
&end
#
# 35 LYS HN 34 ASP HB- 3.50 (# 1101:25 Unique 2.70, 3.58 A)
&rst
ixpk= 1101, nxpk= 25, iat= 538, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 530, 531,
&end
#
# 34 ASP HA 34 ASP HB- 2.80 (# 1102:25 Unique 2.42, 2.76 A)
&rst
ixpk= 1102, nxpk= 25, iat= 528, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 530, 531,
&end
#
# 34 ASP HA 34 ASP HB+ 2.80 (# 1103:25 Unique 2.42, 2.76 A)
&rst
ixpk= 1103, nxpk= 25, iat= 528, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 530, 531,
&end
#
# 31 SER HA 34 ASP HB- 2.80 (# 1104:25 Unique 2.83, 3.36 A)
&rst
ixpk= 1104, nxpk= 25, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 530, 531,
&end
#
# 31 SER HA 34 ASP HB+ 2.80 (# 1105:25 Unique 2.83, 3.36 A)
&rst
ixpk= 1105, nxpk= 25, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 530, 531,
&end
#
# 0 AMB 25-2:1106 34 ASP HB- 4.50 (# 1106:25 Single Ambig)
&rst
ixpk= 1106, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 463, 490, 481, 482,
igr2= 530, 531,
&end
#
# 31 SER HB+ 34 ASP HB- 5.50 (# 1108:25 Unique 4.76, 5.84 A)
&rst
ixpk= 1108, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 481, 482,
igr2= 530, 531,
&end
#
# 31 SER HB+ 34 ASP HB+ 5.50 (# 1109:25 Unique 4.76, 5.84 A)
&rst
ixpk= 1109, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 481, 482,
igr2= 530, 531,
&end
#
# 35 LYS HD+ 34 ASP HB- 4.50 (# 1110:25 Unique 2.48, 4.82 A)
&rst
ixpk= 1110, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 548, 549,
igr2= 530, 531,
&end
#
# 0 AMB 25-2:1111 34 ASP HB- 3.50 (# 1111:25 Single Ambig)
&rst
ixpk= 1111, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 548, 549, 545, 546,
igr2= 530, 531,
&end
#
# 0 AMB 25-2:1112 0 AMB 25-1:1112 3.50 (# 1112:25 Double Ambig)
&rst
ixpk= 1112, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 548, 549, 545, 546,
igr2= 530, 531, 530, 531,
&end
#
# 0 AMB 25-2:1114 34 ASP HB- 4.50 (# 1114:25 Single Ambig)
&rst
ixpk= 1114, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
igr2= 530, 531,
&end
#
# 0 AMB 25-2:1115 0 AMB 25-1:1115 4.50 (# 1115:25 Double Ambig)
&rst
ixpk= 1115, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
igr2= 530, 531, 530, 531,
&end
#
# 35 LYS HN 35 LYS HB+ 3.50 (# 1117:25 Unique 2.58, 3.33 A)
&rst
ixpk= 1117, nxpk= 25, iat= 538, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 542, 543,
&end
#
# 44 GLN HE2- 44 GLN HG+ 3.50 (# 1118:25 Unique 2.27, 3.31 A)
&rst
ixpk= 1118, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 706, 707,
igr2= 701, 702,
&end
#
# 37 TYR HD 35 LYS HB+ 3.50 (# 1119:25 Unique 2.07, 4.75 A)
&rst
ixpk= 1119, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 582, 591,
igr2= 542, 543,
&end
#
# 35 LYS HA 35 LYS HB+ 3.50 (# 1121:25 Unique 2.28, 2.66 A)
&rst
ixpk= 1121, nxpk= 25, iat= 540, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 542, 543,
&end
#
# 35 LYS HA 35 LYS HB- 3.50 (# 1122:25 Unique 2.28, 2.66 A)
&rst
ixpk= 1122, nxpk= 25, iat= 540, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 542, 543,
&end
#
# 0 AMB 25-2:1124 35 LYS HB- 5.50 (# 1124:25 Single Ambig)
&rst
ixpk= 1124, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 551, 552, 578, 579,
igr2= 542, 543,
&end
#
# 35 LYS HB+ 35 LYS HG+ 3.50 (# 1126:25 Unique 2.28, 2.63 A)
&rst
ixpk= 1126, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 542, 543,
igr2= 545, 546,
&end
#
# 34 ASP HB+ 35 LYS HG+ 4.50 (# 1127:25 Unique 2.60, 5.15 A)
&rst
ixpk= 1127, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 530, 531,
igr2= 545, 546,
&end
#
# 34 ASP HB- 35 LYS HG+ 5.50 (# 1128:25 Unique 2.60, 5.15 A)
&rst
ixpk= 1128, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 530, 531,
igr2= 545, 546,
&end
#
# 35 LYS HE+ 35 LYS HG+ 3.50 (# 1129:25 Unique 2.14, 3.03 A)
&rst
ixpk= 1129, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 551, 552,
igr2= 545, 546,
&end
#
# 35 LYS HA 35 LYS HG+ 3.50 (# 1131:25 Unique 2.27, 3.33 A)
&rst
ixpk= 1131, nxpk= 25, iat= 540, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 545, 546,
&end
#
# 37 TYR HD 35 LYS HG+ 5.50 (# 1134:25 Unique 2.88, 6.01 A)
&rst
ixpk= 1134, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 582, 591,
igr2= 545, 546,
&end
#
# 35 LYS HN 35 LYS HG+ 3.50 (# 1136:25 Unique 2.32, 3.48 A)
&rst
ixpk= 1136, nxpk= 25, iat= 538, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 545, 546,
&end
#
# 36 ASN HN 35 LYS HG+ 5.50 (# 1137:25 Unique 4.57, 5.26 A)
&rst
ixpk= 1137, nxpk= 25, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 545, 546,
&end
#
# 35 LYS HN 35 LYS HD+ 4.50 (# 1138:25 Unique 2.41, 3.65 A)
&rst
ixpk= 1138, nxpk= 25, iat= 538, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 548, 549,
&end
#
# 35 LYS HN 35 LYS HD- 4.50 (# 1139:25 Unique 2.41, 3.65 A)
&rst
ixpk= 1139, nxpk= 25, iat= 538, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 548, 549,
&end
#
# 37 TYR HD 35 LYS HD+ 5.50 (# 1140:25 Unique 2.91, 6.48 A)
&rst
ixpk= 1140, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 582, 591,
igr2= 548, 549,
&end
#
# 37 TYR HD 35 LYS HD- 5.50 (# 1141:25 Unique 2.91, 6.48 A)
&rst
ixpk= 1141, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 582, 591,
igr2= 548, 549,
&end
#
# 35 LYS HA 35 LYS HD- 3.50 (# 1145:25 Unique 2.54, 3.65 A)
&rst
ixpk= 1145, nxpk= 25, iat= 540, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 548, 549,
&end
#
# 35 LYS HE+ 35 LYS HD- 3.50 (# 1147:25 Unique 2.36, 2.67 A)
&rst
ixpk= 1147, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 551, 552,
igr2= 548, 549,
&end
#
# 35 LYS HB+ 35 LYS HD+ 2.80 (# 1149:25 Unique 2.29, 3.21 A)
&rst
ixpk= 1149, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 542, 543,
igr2= 548, 549,
&end
#
# 0 AMB 25-2:1150 0 AMB 25-1:1150 2.80 (# 1150:25 Double Ambig)
&rst
ixpk= 1150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 545, 546, 548, 549,
igr2= 551, 552, 551, 552,
&end
#
# 0 AMB 25-2:1151 0 AMB 25-1:1151 2.80 (# 1151:25 Double Ambig)
&rst
ixpk= 1151, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 548, 549, 542, 543,
igr2= 551, 552, 551, 552,
&end
#
# 9 GLU HB+ 35 LYS HE+ 3.50 (# 1152:25 Unique 2.69, 4.71 A)
&rst
ixpk= 1152, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 146, 147,
igr2= 551, 552,
&end
#
# 8 PRO HB+ 35 LYS HE+ 3.50 (# 1153:25 Unique 2.04, 3.41 A)
&rst
ixpk= 1153, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 135, 136,
igr2= 551, 552,
&end
#
# 35 LYS HB+ 35 LYS HE+ 4.50 (# 1154:25 Unique 3.16, 4.58 A)
&rst
ixpk= 1154, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 542, 543,
igr2= 551, 552,
&end
#
# 0 AMB 25-2:1156 0 AMB 25-1:1156 4.50 (# 1156:25 Double Ambig)
&rst
ixpk= 1156, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 481, 482, 490,
igr2= 551, 552, 551, 552,
&end
#
# 10 SER HB+ 35 LYS HE+ 3.50 (# 1157:25 Unique 2.27, 4.18 A)
&rst
ixpk= 1157, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 161, 162,
igr2= 551, 552,
&end
#
# 37 TYR HN 36 ASN HA 3.50 (# 1160:25 Unique 2.64, 2.76 A)
&rst
ixpk= 1160, nxpk= 25, iat= 574, 562, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ASN HN 36 ASN HA 2.80 (# 1161:25 Unique 2.16, 2.20 A)
&rst
ixpk= 1161, nxpk= 25, iat= 560, 562, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 ASN HD2+ 36 ASN HA 4.50 (# 1162:25 Unique 2.17, 4.45 A)
&rst
ixpk= 1162, nxpk= 25, iat= -1, 562, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 569, 570,
&end
#
# 35 LYS HN 36 ASN HA 4.50 (# 1163:25 Unique 4.13, 4.32 A)
&rst
ixpk= 1163, nxpk= 25, iat= 538, 562, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1164 0 AMB 25-1:1164 3.50 (# 1164:25 Double Ambig)
&rst
ixpk= 1164, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1388,1396, 595,
igr2=1382, 562,
&end
#
# 36 ASN HD2- 36 ASN HA 4.50 (# 1165:25 Unique 2.17, 4.45 A)
&rst
ixpk= 1165, nxpk= 25, iat= -1, 562, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 569, 570,
&end
#
# 41 ASN HB+ 41 ASN HA 2.80 (# 1167:25 Unique 2.18, 2.66 A)
&rst
ixpk= 1167, nxpk= 25, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 644, 645,
&end
#
# 33 LEU MDX 36 ASN HA 4.50 (# 1168:25 Unique 3.60, 5.78 A)
&rst
ixpk= 1168, nxpk= 25, iat= -1, 562, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 516, 517, 518, 520, 521, 522,
&end
#
# 75 LEU MDX 36 ASN HA 4.50 (# 1169:25 Unique 3.33, 5.90 A)
&rst
ixpk= 1169, nxpk= 25, iat= -1, 562, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 75 LEU MDX 36 ASN HB+ 4.50 (# 1170:25 Unique 2.60, 5.63 A)
&rst
ixpk= 1170, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1152,1153,1154,1156,1157,1158,
igr2= 564, 565,
&end
#
# 75 LEU MDX 36 ASN HB- 4.50 (# 1171:25 Unique 2.60, 5.63 A)
&rst
ixpk= 1171, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1152,1153,1154,1156,1157,1158,
igr2= 564, 565,
&end
#
# 36 ASN HA 36 ASN HB+ 2.80 (# 1172:25 Unique 2.18, 2.45 A)
&rst
ixpk= 1172, nxpk= 25, iat= 562, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 564, 565,
&end
#
# 36 ASN HA 36 ASN HB- 2.80 (# 1173:25 Unique 2.18, 2.45 A)
&rst
ixpk= 1173, nxpk= 25, iat= 562, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 564, 565,
&end
#
# 36 ASN HD2- 36 ASN HB+ 4.50 (# 1174:25 Unique 2.23, 3.46 A)
&rst
ixpk= 1174, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 569, 570,
igr2= 564, 565,
&end
#
# 36 ASN HD2- 36 ASN HB- 4.50 (# 1175:25 Unique 2.23, 3.46 A)
&rst
ixpk= 1175, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 569, 570,
igr2= 564, 565,
&end
#
# 36 ASN HD2+ 36 ASN HB+ 4.50 (# 1176:25 Unique 2.23, 3.46 A)
&rst
ixpk= 1176, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 569, 570,
igr2= 564, 565,
&end
#
# 36 ASN HD2+ 36 ASN HB- 4.50 (# 1177:25 Unique 2.23, 3.46 A)
&rst
ixpk= 1177, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 569, 570,
igr2= 564, 565,
&end
#
# 36 ASN HN 36 ASN HB+ 3.50 (# 1178:25 Unique 2.86, 3.43 A)
&rst
ixpk= 1178, nxpk= 25, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 564, 565,
&end
#
# 36 ASN HN 36 ASN HB- 3.50 (# 1179:25 Unique 2.86, 3.43 A)
&rst
ixpk= 1179, nxpk= 25, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 564, 565,
&end
#
# 37 TYR HN 36 ASN HB+ 5.50 (# 1180:25 Unique 4.25, 4.61 A)
&rst
ixpk= 1180, nxpk= 25, iat= 574, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 564, 565,
&end
#
# 37 TYR HN 36 ASN HB- 5.50 (# 1181:25 Unique 4.25, 4.61 A)
&rst
ixpk= 1181, nxpk= 25, iat= 574, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 564, 565,
&end
#
# 37 TYR HN 37 TYR HA 4.50 (# 1182:25 Unique 2.91, 2.93 A)
&rst
ixpk= 1182, nxpk= 25, iat= 574, 576, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 LYS HN 37 TYR HA 3.50 (# 1183:25 Unique 2.83, 2.87 A)
&rst
ixpk= 1183, nxpk= 25, iat=1162, 576, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 ILE HN 37 TYR HA 4.50 (# 1185:25 Unique 3.43, 3.46 A)
&rst
ixpk= 1185, nxpk= 25, iat= 595, 576, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1186 37 TYR HA 4.50 (# 1186:25 Single Ambig)
&rst
ixpk= 1186, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 582, 591, 569, 570,
&end
#
# 37 TYR HB+ 37 TYR HA 3.50 (# 1188:25 Unique 2.53, 2.81 A)
&rst
ixpk= 1188, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 578, 579,
&end
#
# 37 TYR HB- 37 TYR HA 2.80 (# 1189:25 Unique 2.53, 2.81 A)
&rst
ixpk= 1189, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 578, 579,
&end
#
# 76 LYS HB+ 37 TYR HA 3.50 (# 1190:25 Unique 2.01, 2.93 A)
&rst
ixpk= 1190, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1166,1167,
&end
#
# 75 LEU HB+ 37 TYR HA 4.50 (# 1191:25 Unique 3.07, 3.85 A)
&rst
ixpk= 1191, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1147,1148,
&end
#
# 0 AMB 25-2:1192 37 TYR HA 2.80 (# 1192:25 Single Ambig)
&rst
ixpk= 1192, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1166,1167,1172,1173,1169,1170,
&end
#
# 75 LEU MDX 37 TYR HA 5.50 (# 1193:25 Unique 4.46, 6.28 A)
&rst
ixpk= 1193, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 32 LEU MDY 37 TYR HB+ 4.50 (# 1194:25 Unique 2.55, 4.36 A)
&rst
ixpk= 1194, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 578, 579,
&end
#
# 32 LEU MDY 37 TYR HB- 4.50 (# 1195:25 Unique 2.55, 4.36 A)
&rst
ixpk= 1195, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 578, 579,
&end
#
# 38 ILE QG2 37 TYR HB+ 4.50 (# 1196:25 Unique 2.90, 4.21 A)
&rst
ixpk= 1196, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 601, 602, 603,
igr2= 578, 579,
&end
#
# 32 LEU MDX 37 TYR HB+ 5.50 (# 1198:25 Unique 2.55, 4.36 A)
&rst
ixpk= 1198, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 578, 579,
&end
#
# 32 LEU MDX 37 TYR HB- 5.50 (# 1199:25 Unique 2.55, 4.36 A)
&rst
ixpk= 1199, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 578, 579,
&end
#
# 0 AMB 25-2:1200 0 AMB 25-1:1200 4.50 (# 1200:25 Double Ambig)
&rst
ixpk= 1200, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1166,1167,1172,1173,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 25-2:1201 0 AMB 25-1:1201 3.50 (# 1201:25 Double Ambig)
&rst
ixpk= 1201, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 492, 493, 605, 606,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 25-2:1202 37 TYR HB- 4.50 (# 1202:25 Single Ambig)
&rst
ixpk= 1202, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1166,1167,1172,1173,
igr2= 578, 579,
&end
#
# 0 AMB 25-2:1203 37 TYR HB- 4.50 (# 1203:25 Single Ambig)
&rst
ixpk= 1203, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 492, 493, 605, 606,
igr2= 578, 579,
&end
#
# 0 AMB 25-2:1204 0 AMB 25-1:1204 5.50 (# 1204:25 Double Ambig)
&rst
ixpk= 1204, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 495,1147,1148,
igr2= 578, 579, 578, 579,
&end
#
# 32 LEU HB+ 37 TYR HB+ 5.50 (# 1205:25 Unique 2.15, 3.43 A)
&rst
ixpk= 1205, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 492, 493,
igr2= 578, 579,
&end
#
# 32 LEU HB+ 37 TYR HB- 5.50 (# 1206:25 Unique 2.15, 3.43 A)
&rst
ixpk= 1206, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 492, 493,
igr2= 578, 579,
&end
#
# 37 TYR HA 37 TYR HB+ 3.50 (# 1207:25 Unique 2.53, 2.81 A)
&rst
ixpk= 1207, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 578, 579,
&end
#
# 37 TYR HA 37 TYR HB- 2.80 (# 1208:25 Unique 2.53, 2.81 A)
&rst
ixpk= 1208, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 578, 579,
&end
#
# 37 TYR HD 37 TYR HB+ 3.50 (# 1211:25 Unique 2.32, 3.08 A)
&rst
ixpk= 1211, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 582, 591,
igr2= 578, 579,
&end
#
# 37 TYR HD 37 TYR HB- 3.50 (# 1212:25 Unique 2.32, 3.08 A)
&rst
ixpk= 1212, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 582, 591,
igr2= 578, 579,
&end
#
# 38 ILE HN 37 TYR HB+ 3.50 (# 1215:25 Unique 3.11, 3.52 A)
&rst
ixpk= 1215, nxpk= 25, iat= 595, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 578, 579,
&end
#
# 37 TYR HN 37 TYR HB+ 3.50 (# 1217:25 Unique 2.29, 2.96 A)
&rst
ixpk= 1217, nxpk= 25, iat= 574, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 578, 579,
&end
#
# 37 TYR HN 37 TYR HB- 3.50 (# 1218:25 Unique 2.29, 2.96 A)
&rst
ixpk= 1218, nxpk= 25, iat= 574, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 578, 579,
&end
#
# 37 TYR HN 38 ILE HA 5.50 (# 1219:25 Unique 5.12, 5.17 A)
&rst
ixpk= 1219, nxpk= 25, iat= 574, 597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 SER HN 38 ILE HA 2.80 (# 1220:25 Unique 2.34, 2.44 A)
&rst
ixpk= 1220, nxpk= 25, iat= 614, 597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 LEU HN 38 ILE HA 2.80 (# 1221:25 Unique 2.58, 2.74 A)
&rst
ixpk= 1221, nxpk= 25, iat=1143, 597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 38 ILE HN 38 ILE HA 4.50 (# 1222:25 Unique 2.93, 2.95 A)
&rst
ixpk= 1222, nxpk= 25, iat= 595, 597, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 ALA HA 38 ILE HA 3.50 (# 1224:25 Unique 2.27, 2.35 A)
&rst
ixpk= 1224, nxpk= 25, iat=1135, 597, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1225 38 ILE HA 5.50 (# 1225:25 Single Ambig)
&rst
ixpk= 1225, nxpk= 25, iat= -1, 597, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 618, 619, 656,
&end
#
# 0 AMB 25-2:1227 38 ILE HA 4.50 (# 1227:25 Single Ambig)
&rst
ixpk= 1227, nxpk= 25, iat= -1, 597, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 658, 659,1604,1605,
&end
#
# 42 TYR HB- 38 ILE HA 4.50 (# 1228:25 Unique 4.04, 4.34 A)
&rst
ixpk= 1228, nxpk= 25, iat= -1, 597, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 658, 659,
&end
#
# 38 ILE HB 38 ILE HA 3.50 (# 1229:25 Unique 2.48, 2.49 A)
&rst
ixpk= 1229, nxpk= 25, iat= 599, 597, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1230 38 ILE HA 3.50 (# 1230:25 Single Ambig)
&rst
ixpk= 1230, nxpk= 25, iat= -1, 597, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1150,1147,1148,
&end
#
# 0 AMB 25-2:1231 38 ILE HA 4.50 (# 1231:25 Single Ambig)
&rst
ixpk= 1231, nxpk= 25, iat= -1, 597, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 605, 606,1137,1138,1139,
&end
#
# 0 AMB 25-2:1232 38 ILE HA 4.50 (# 1232:25 Single Ambig)
&rst
ixpk= 1232, nxpk= 25, iat= -1, 597, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 608, 609, 610, 688, 689, 690,
&end
#
# 75 LEU MDX 38 ILE HA 3.50 (# 1233:25 Unique 3.48, 4.75 A)
&rst
ixpk= 1233, nxpk= 25, iat= -1, 597, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 38 ILE QG2 38 ILE HA 2.80 (# 1234:25 Unique 2.46, 3.14 A)
&rst
ixpk= 1234, nxpk= 25, iat= -1, 597, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 601, 602, 603,
&end
#
# 38 ILE QG2 38 ILE HB 2.80 (# 1235:25 Unique 2.38, 2.64 A)
&rst
ixpk= 1235, nxpk= 25, iat= -1, 599, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 601, 602, 603,
&end
#
# 42 TYR HB- 38 ILE HB 3.50 (# 1238:25 Unique 2.25, 2.67 A)
&rst
ixpk= 1238, nxpk= 25, iat= -1, 599, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 658, 659,
&end
#
# 42 TYR HB+ 38 ILE HB 3.50 (# 1239:25 Unique 2.25, 2.67 A)
&rst
ixpk= 1239, nxpk= 25, iat= -1, 599, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 658, 659,
&end
#
# 140 LEU HA 140 LEU HB+ 2.80 (# 1240:25 Unique 2.42, 2.77 A)
&rst
ixpk= 1240, nxpk= 25, iat=2124, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2126,2127,
&end
#
# 0 AMB 25-2:1241 0 AMB 25-1:1241 2.80 (# 1241:25 Double Ambig)
&rst
ixpk= 1241, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2005,1777,
igr2=2007,2008,1824,1825,
&end
#
# 0 AMB 25-2:1242 38 ILE HB 3.50 (# 1242:25 Single Ambig)
&rst
ixpk= 1242, nxpk= 25, iat= -1, 599, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1135, 509,
&end
#
# 38 ILE HA 38 ILE HB 3.50 (# 1243:25 Unique 2.48, 2.49 A)
&rst
ixpk= 1243, nxpk= 25, iat= 597, 599, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 TYR HD 38 ILE HB 4.50 (# 1244:25 Unique 2.78, 3.83 A)
&rst
ixpk= 1244, nxpk= 25, iat= -1, 599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 662, 671,
&end
#
# 0 AMB 25-2:1245 0 AMB 25-1:1245 4.50 (# 1245:25 Double Ambig)
&rst
ixpk= 1245, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 675,2036,
igr2= 599,2007,2008,
&end
#
# 38 ILE HN 38 ILE HB 5.50 (# 1246:25 Unique 3.81, 3.83 A)
&rst
ixpk= 1246, nxpk= 25, iat= 595, 599, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 SER HN 38 ILE HB 3.50 (# 1247:25 Unique 2.13, 2.40 A)
&rst
ixpk= 1247, nxpk= 25, iat= 614, 599, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 ILE HN 38 ILE HG1+ 4.50 (# 1248:25 Unique 2.32, 2.65 A)
&rst
ixpk= 1248, nxpk= 25, iat= 595, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 605, 606,
&end
#
# 76 LYS HA 76 LYS HG+ 3.50 (# 1250:25 Unique 2.49, 2.98 A)
&rst
ixpk= 1250, nxpk= 25, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1169,1170,
&end
#
# 33 LEU HA 38 ILE HG1+ 3.50 (# 1251:25 Unique 2.16, 2.37 A)
&rst
ixpk= 1251, nxpk= 25, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 605, 606,
&end
#
# 38 ILE HB 38 ILE HG1+ 3.50 (# 1252:25 Unique 2.46, 2.77 A)
&rst
ixpk= 1252, nxpk= 25, iat= 599, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 605, 606,
&end
#
# 0 AMB 25-2:1255 38 ILE HG1- 2.80 (# 1255:25 Single Ambig)
&rst
ixpk= 1255, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 608, 609, 610, 688, 689, 690,
igr2= 605, 606,
&end
#
# 38 ILE HB 38 ILE HG1- 4.50 (# 1257:25 Unique 2.46, 2.77 A)
&rst
ixpk= 1257, nxpk= 25, iat= 599, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 605, 606,
&end
#
# 33 LEU HA 38 ILE HG1- 3.50 (# 1258:25 Unique 2.16, 2.37 A)
&rst
ixpk= 1258, nxpk= 25, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 605, 606,
&end
#
# 38 ILE HN 38 ILE HG1- 4.50 (# 1259:25 Unique 2.32, 2.65 A)
&rst
ixpk= 1259, nxpk= 25, iat= 595, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 605, 606,
&end
#
# 33 LEU HN 38 ILE QD1 4.50 (# 1260:25 Unique 2.60, 3.62 A)
&rst
ixpk= 1260, nxpk= 25, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 608, 609, 610,
&end
#
# 38 ILE HN 38 ILE QD1 5.50 (# 1261:25 Unique 4.62, 4.78 A)
&rst
ixpk= 1261, nxpk= 25, iat= 595, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 608, 609, 610,
&end
#
# 43 ILE HN 38 ILE QD1 3.50 (# 1262:25 Unique 3.57, 4.72 A)
&rst
ixpk= 1262, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 608, 609, 610,
&end
#
# 42 TYR HD 38 ILE QD1 3.50 (# 1263:25 Unique 2.31, 5.01 A)
&rst
ixpk= 1263, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 662, 671,
igr2= 608, 609, 610,
&end
#
# 33 LEU HA 38 ILE QD1 3.50 (# 1265:25 Unique 3.11, 3.91 A)
&rst
ixpk= 1265, nxpk= 25, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 608, 609, 610,
&end
#
# 42 TYR HB+ 38 ILE QD1 3.50 (# 1266:25 Unique 2.44, 4.76 A)
&rst
ixpk= 1266, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 658, 659,
igr2= 608, 609, 610,
&end
#
# 42 TYR HB- 38 ILE QD1 4.50 (# 1267:25 Unique 2.44, 4.76 A)
&rst
ixpk= 1267, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 658, 659,
igr2= 608, 609, 610,
&end
#
# 29 MET HG+ 38 ILE QD1 4.50 (# 1268:25 Unique 3.95, 4.94 A)
&rst
ixpk= 1268, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 451, 452,
igr2= 608, 609, 610,
&end
#
# 29 MET HG- 38 ILE QD1 5.50 (# 1269:25 Unique 3.95, 4.94 A)
&rst
ixpk= 1269, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 451, 452,
igr2= 608, 609, 610,
&end
#
# 33 LEU HB- 38 ILE QD1 2.80 (# 1270:25 Unique 2.21, 4.18 A)
&rst
ixpk= 1270, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 511, 512,
igr2= 608, 609, 610,
&end
#
# 0 AMB 25-2:1271 38 ILE QD1 2.80 (# 1271:25 Single Ambig)
&rst
ixpk= 1271, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 685, 686, 492, 493, 448, 449,
igr2= 608, 609, 610,
&end
#
# 38 ILE HG1+ 38 ILE QD1 2.80 (# 1273:25 Unique 2.35, 2.63 A)
&rst
ixpk= 1273, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 605, 606,
igr2= 608, 609, 610,
&end
#
# 0 AMB 25-2:1275 38 ILE QD1 2.80 (# 1275:25 Single Ambig)
&rst
ixpk= 1275, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 601, 602, 603, 605, 606,
igr2= 608, 609, 610,
&end
#
# 32 LEU MDY 38 ILE QG2 4.50 (# 1276:25 Unique 3.07, 5.29 A)
&rst
ixpk= 1276, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 601, 602, 603,
&end
#
# 38 ILE QD1 38 ILE QG2 2.80 (# 1277:25 Unique 2.19, 3.68 A)
&rst
ixpk= 1277, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 608, 609, 610,
igr2= 601, 602, 603,
&end
#
# 0 AMB 25-2:1278 38 ILE QG2 2.80 (# 1278:25 Single Ambig)
&rst
ixpk= 1278, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 492, 493, 605, 606,
igr2= 601, 602, 603,
&end
#
# 0 AMB 25-2:1279 38 ILE QG2 4.50 (# 1279:25 Single Ambig)
&rst
ixpk= 1279, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=1150,1147,1148,1166,1167, 511, 512,
igr2= 601, 602, 603,
&end
#
# 0 AMB 25-2:1280 38 ILE QG2 5.50 (# 1280:25 Single Ambig)
&rst
ixpk= 1280, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 495,1147,1148,
igr2= 601, 602, 603,
&end
#
# 38 ILE HB 38 ILE QG2 2.80 (# 1281:25 Unique 2.38, 2.64 A)
&rst
ixpk= 1281, nxpk= 25, iat= 599, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 601, 602, 603,
&end
#
# 37 TYR HB+ 38 ILE QG2 3.50 (# 1282:25 Unique 2.90, 4.21 A)
&rst
ixpk= 1282, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 578, 579,
igr2= 601, 602, 603,
&end
#
# 104 SER HB- 38 ILE QG2 3.50 (# 1283:25 Unique 2.30, 2.73 A)
&rst
ixpk= 1283, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1604,1605,
igr2= 601, 602, 603,
&end
#
# 0 AMB 25-2:1284 38 ILE QG2 3.50 (# 1284:25 Single Ambig)
&rst
ixpk= 1284, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 578, 579, 658, 659,
igr2= 601, 602, 603,
&end
#
# 104 SER HB+ 38 ILE QG2 3.50 (# 1285:25 Unique 2.30, 2.73 A)
&rst
ixpk= 1285, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1604,1605,
igr2= 601, 602, 603,
&end
#
# 0 AMB 25-2:1286 38 ILE QG2 4.50 (# 1286:25 Single Ambig)
&rst
ixpk= 1286, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 490, 656, 618, 619,
igr2= 601, 602, 603,
&end
#
# 74 ALA HA 38 ILE QG2 2.80 (# 1287:25 Unique 2.06, 3.32 A)
&rst
ixpk= 1287, nxpk= 25, iat=1135, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 601, 602, 603,
&end
#
# 104 SER HA 38 ILE QG2 4.50 (# 1288:25 Unique 3.93, 4.43 A)
&rst
ixpk= 1288, nxpk= 25, iat=1602, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 601, 602, 603,
&end
#
# 0 AMB 25-2:1289 38 ILE QG2 5.50 (# 1289:25 Single Ambig)
&rst
ixpk= 1289, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1128,1129, 616,
igr2= 601, 602, 603,
&end
#
# 38 ILE HA 38 ILE QG2 3.50 (# 1290:25 Unique 2.46, 3.14 A)
&rst
ixpk= 1290, nxpk= 25, iat= 597, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 601, 602, 603,
&end
#
# 67 HIS HD2 38 ILE QG2 5.50 (# 1291:25 Unique 6.36, 6.76 A)
&rst
ixpk= 1291, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 601, 602, 603,
&end
#
# 42 TYR HD 38 ILE QG2 5.50 (# 1292:25 Unique 2.72, 4.47 A)
&rst
ixpk= 1292, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 662, 671,
igr2= 601, 602, 603,
&end
#
# 38 ILE HN 38 ILE QG2 4.50 (# 1293:25 Unique 3.33, 4.06 A)
&rst
ixpk= 1293, nxpk= 25, iat= 595, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 601, 602, 603,
&end
#
# 43 ILE HN 38 ILE QG2 5.50 (# 1294:25 Unique 5.47, 6.38 A)
&rst
ixpk= 1294, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 601, 602, 603,
&end
#
# 0 AMB 25-2:1295 38 ILE QG2 3.50 (# 1295:25 Single Ambig)
&rst
ixpk= 1295, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 614,1611,
igr2= 601, 602, 603,
&end
#
# 75 LEU HN 38 ILE QG2 3.50 (# 1296:25 Unique 3.44, 4.32 A)
&rst
ixpk= 1296, nxpk= 25, iat=1143, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 601, 602, 603,
&end
#
# 0 AMB 25-2:1302 39 SER HB- 4.50 (# 1302:25 Single Ambig)
&rst
ixpk= 1302, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 629, 630, 632, 633,
igr2= 618, 619,
&end
#
# 0 AMB 25-2:1303 0 AMB 25-1:1303 5.50 (# 1303:25 Double Ambig)
&rst
ixpk= 1303, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 629, 630, 632, 633,
igr2= 618, 619, 618, 619,
&end
#
# 0 AMB 25-2:1304 39 SER HB- 5.50 (# 1304:25 Single Ambig)
&rst
ixpk= 1304, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 629, 630, 632, 633,
igr2= 618, 619,
&end
#
# 41 ASN HB+ 39 SER HB- 5.50 (# 1305:25 Unique 2.80, 4.45 A)
&rst
ixpk= 1305, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 618, 619,
&end
#
# 41 ASN HB- 39 SER HB- 5.50 (# 1306:25 Unique 2.80, 4.45 A)
&rst
ixpk= 1306, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 618, 619,
&end
#
# 0 AMB 25-2:1313 39 SER HB- 5.50 (# 1313:25 Single Ambig)
&rst
ixpk= 1313, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 649, 650, 654,
igr2= 618, 619,
&end
#
# 0 AMB 25-2:1314 0 AMB 25-1:1314 5.50 (# 1314:25 Double Ambig)
&rst
ixpk= 1314, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 649, 650, 654,
igr2= 618, 619, 618, 619,
&end
#
# 0 AMB 25-2:1315 39 SER HB- 4.50 (# 1315:25 Single Ambig)
&rst
ixpk= 1315, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 640, 614,
igr2= 618, 619,
&end
#
# 0 AMB 25-2:1316 0 AMB 25-1:1316 4.50 (# 1316:25 Double Ambig)
&rst
ixpk= 1316, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 640, 614,
igr2= 618, 619, 618, 619,
&end
#
# 40 GLU HN 39 SER HB- 3.50 (# 1317:25 Unique 2.58, 3.27 A)
&rst
ixpk= 1317, nxpk= 25, iat= 625, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 618, 619,
&end
#
# 40 GLU HN 39 SER HB+ 4.50 (# 1318:25 Unique 2.58, 3.27 A)
&rst
ixpk= 1318, nxpk= 25, iat= 625, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 618, 619,
&end
#
# 40 GLU HN 40 GLU HA 3.50 (# 1319:25 Unique 2.78, 2.82 A)
&rst
ixpk= 1319, nxpk= 25, iat= 625, 627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 128 LEU HN 125 GLU HA 3.50 (# 1320:25 Unique 2.94, 3.08 A)
&rst
ixpk= 1320, nxpk= 25, iat=1933,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1321 125 GLU HA 4.50 (# 1321:25 Single Ambig)
&rst
ixpk= 1321, nxpk= 25, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1914,1869,
&end
#
# 43 ILE HN 40 GLU HA 4.50 (# 1322:25 Unique 3.13, 3.35 A)
&rst
ixpk= 1322, nxpk= 25, iat= 675, 627, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1326 40 GLU HA 2.80 (# 1326:25 Single Ambig)
&rst
ixpk= 1326, nxpk= 25, iat= -1, 627, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 632, 633, 629, 630,
&end
#
# 0 AMB 25-2:1327 0 AMB 25-1:1327 2.80 (# 1327:25 Double Ambig)
&rst
ixpk= 1327, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 632, 633,1888,1889, 629, 630,
igr2= 627,1886,
&end
#
# 128 LEU HB- 125 GLU HA 3.50 (# 1328:25 Unique 2.13, 3.00 A)
&rst
ixpk= 1328, nxpk= 25, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1937,1938,
&end
#
# 0 AMB 25-2:1329 125 GLU HA 3.50 (# 1329:25 Single Ambig)
&rst
ixpk= 1329, nxpk= 25, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1937,1938,1940,
&end
#
# 43 ILE QD1 40 GLU HA 2.80 (# 1330:25 Unique 2.46, 3.51 A)
&rst
ixpk= 1330, nxpk= 25, iat= -1, 627, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 688, 689, 690,
&end
#
# 0 AMB 25-2:1331 0 AMB 25-1:1331 2.80 (# 1331:25 Double Ambig)
&rst
ixpk= 1331, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1942,1943,1944,1946,1947,1948, 516, 517, 518, 520,
521, 522,
igr2=1886, 627,
&end
#
# 0 AMB 25-2:1332 40 GLU HB- 5.50 (# 1332:25 Single Ambig)
&rst
ixpk= 1332, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 516, 517, 518, 520, 521, 522, 681, 682, 683, 514,
igr2= 629, 630,
&end
#
# 16 HIS HB+ 85 GLU HB+ 5.50 (# 1333:25 Unique 3.81, 5.37 A)
&rst
ixpk= 1333, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 248, 249,
igr2=1308,1309,
&end
#
# 16 HIS HA 85 GLU HB- 2.80 (# 1335:25 Unique 2.08, 3.09 A)
&rst
ixpk= 1335, nxpk= 25, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1308,1309,
&end
#
# 0 AMB 25-2:1339 0 AMB 25-1:1339 2.80 (# 1339:25 Double Ambig)
&rst
ixpk= 1339, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1914,1869,1820,
igr2=1903,1904,1873,1874,1873,1874,1809,1810,
&end
#
# 86 GLN HN 85 GLU HB+ 4.50 (# 1340:25 Unique 2.60, 3.46 A)
&rst
ixpk= 1340, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1308,1309,
&end
#
# 85 GLU HN 85 GLU HB+ 3.50 (# 1341:25 Unique 2.27, 3.01 A)
&rst
ixpk= 1341, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1308,1309,
&end
#
# 85 GLU HN 85 GLU HB- 3.50 (# 1342:25 Unique 2.27, 3.01 A)
&rst
ixpk= 1342, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1308,1309,
&end
#
# 40 GLU HN 40 GLU HB- 5.50 (# 1343:25 Unique 2.43, 3.05 A)
&rst
ixpk= 1343, nxpk= 25, iat= 625, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 629, 630,
&end
#
# 40 GLU HN 40 GLU HB+ 2.80 (# 1344:25 Unique 2.43, 3.05 A)
&rst
ixpk= 1344, nxpk= 25, iat= 625, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 629, 630,
&end
#
# 40 GLU HN 40 GLU HG+ 3.50 (# 1345:25 Unique 2.12, 2.83 A)
&rst
ixpk= 1345, nxpk= 25, iat= 625, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 632, 633,
&end
#
# 40 GLU HN 40 GLU HG- 5.50 (# 1346:25 Unique 2.12, 2.83 A)
&rst
ixpk= 1346, nxpk= 25, iat= 625, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 632, 633,
&end
#
# 0 AMB 25-2:1349 0 AMB 25-1:1349 4.50 (# 1349:25 Double Ambig)
&rst
ixpk= 1349, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 618, 619, 642,
igr2= 632, 633, 632, 633,
&end
#
# 40 GLU HA 40 GLU HG+ 2.80 (# 1350:25 Unique 2.36, 2.79 A)
&rst
ixpk= 1350, nxpk= 25, iat= 627, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 632, 633,
&end
#
# 85 GLU HA 85 GLU HG- 2.80 (# 1351:25 Unique 2.48, 2.92 A)
&rst
ixpk= 1351, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1311,1312,
&end
#
# 33 LEU MDY 40 GLU HG+ 5.50 (# 1352:25 Unique 2.19, 3.62 A)
&rst
ixpk= 1352, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 516, 517, 518, 520, 521, 522,
igr2= 632, 633,
&end
#
# 33 LEU MDX 40 GLU HG+ 2.80 (# 1353:25 Unique 2.19, 3.62 A)
&rst
ixpk= 1353, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 516, 517, 518, 520, 521, 522,
igr2= 632, 633,
&end
#
# 0 AMB 25-2:1354 0 AMB 25-1:1354 4.50 (# 1354:25 Double Ambig)
&rst
ixpk= 1354, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 516, 517, 518, 520, 521, 522,1275,1276,1277,1279,
1280,1281,
igr2= 632, 633,1311,1312,
&end
#
# 14 VAL MGX 85 GLU HG- 4.50 (# 1355:25 Unique 2.62, 5.34 A)
&rst
ixpk= 1355, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 215, 216, 217, 219, 220, 221,
igr2=1311,1312,
&end
#
# 44 GLN HB+ 41 ASN HA 2.80 (# 1357:25 Unique 2.42, 3.14 A)
&rst
ixpk= 1357, nxpk= 25, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 698, 699,
&end
#
# 41 ASN HB- 41 ASN HA 2.80 (# 1358:25 Unique 2.18, 2.66 A)
&rst
ixpk= 1358, nxpk= 25, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 644, 645,
&end
#
# 44 GLN HN 41 ASN HA 3.50 (# 1360:25 Unique 2.95, 3.21 A)
&rst
ixpk= 1360, nxpk= 25, iat= 694, 642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 43 ILE HN 41 ASN HA 4.50 (# 1361:25 Unique 4.23, 4.42 A)
&rst
ixpk= 1361, nxpk= 25, iat= 675, 642, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1362 41 ASN HA 3.50 (# 1362:25 Single Ambig)
&rst
ixpk= 1362, nxpk= 25, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 654, 649, 650,
&end
#
# 41 ASN HN 41 ASN HA 3.50 (# 1363:25 Unique 2.82, 2.84 A)
&rst
ixpk= 1363, nxpk= 25, iat= 640, 642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 ASN HN 41 ASN HB- 4.50 (# 1364:25 Unique 2.24, 2.70 A)
&rst
ixpk= 1364, nxpk= 25, iat= 640, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 644, 645,
&end
#
# 41 ASN HN 41 ASN HB+ 4.50 (# 1365:25 Unique 2.24, 2.70 A)
&rst
ixpk= 1365, nxpk= 25, iat= 640, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 644, 645,
&end
#
# 0 AMB 25-2:1366 41 ASN HB- 3.50 (# 1366:25 Single Ambig)
&rst
ixpk= 1366, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 649, 650, 654,
igr2= 644, 645,
&end
#
# 0 AMB 25-2:1367 0 AMB 25-1:1367 3.50 (# 1367:25 Double Ambig)
&rst
ixpk= 1367, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 649, 650, 654,
igr2= 644, 645, 644, 645,
&end
#
# 0 AMB 25-2:1370 41 ASN HB- 2.80 (# 1370:25 Single Ambig)
&rst
ixpk= 1370, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 642, 618, 619,
igr2= 644, 645,
&end
#
# 0 AMB 25-2:1371 0 AMB 25-1:1371 2.80 (# 1371:25 Double Ambig)
&rst
ixpk= 1371, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 642, 618, 619,
igr2= 644, 645, 644, 645,
&end
#
# 0 AMB 25-2:1374 41 ASN HB- 5.50 (# 1374:25 Single Ambig)
&rst
ixpk= 1374, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 698, 699, 629, 630,
igr2= 644, 645,
&end
#
# 0 AMB 25-2:1375 0 AMB 25-1:1375 5.50 (# 1375:25 Double Ambig)
&rst
ixpk= 1375, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 698, 699, 629, 630,
igr2= 644, 645, 644, 645,
&end
#
# 0 AMB 25-2:1376 42 TYR HA 5.50 (# 1376:25 Single Ambig)
&rst
ixpk= 1376, nxpk= 25, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 734, 735, 736, 601, 602, 603,
&end
#
# 68 ALA MB 42 TYR HA 4.50 (# 1377:25 Unique 3.82, 4.43 A)
&rst
ixpk= 1377, nxpk= 25, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1056,1057,1058,
&end
#
# 45 ALA MB 42 TYR HA 3.50 (# 1379:25 Unique 2.72, 3.54 A)
&rst
ixpk= 1379, nxpk= 25, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 715, 716, 717,
&end
#
# 0 AMB 25-2:1380 42 TYR HA 5.50 (# 1380:25 Single Ambig)
&rst
ixpk= 1380, nxpk= 25, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 599, 725,
&end
#
# 0 AMB 25-2:1381 42 TYR HA 2.80 (# 1381:25 Single Ambig)
&rst
ixpk= 1381, nxpk= 25, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 658, 659,1119,1120,
&end
#
# 42 TYR HB+ 42 TYR HA 3.50 (# 1382:25 Unique 2.47, 2.78 A)
&rst
ixpk= 1382, nxpk= 25, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 658, 659,
&end
#
# 42 TYR HD 42 TYR HA 3.50 (# 1385:25 Unique 2.81, 3.58 A)
&rst
ixpk= 1385, nxpk= 25, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 662, 671,
&end
#
# 43 ILE HN 42 TYR HA 4.50 (# 1386:25 Unique 3.55, 3.58 A)
&rst
ixpk= 1386, nxpk= 25, iat= 675, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ILE HN 42 TYR HA 5.50 (# 1388:25 Unique 4.29, 4.66 A)
&rst
ixpk= 1388, nxpk= 25, iat= 721, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1389 42 TYR HA 3.50 (# 1389:25 Single Ambig)
&rst
ixpk= 1389, nxpk= 25, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 654, 649, 650,
&end
#
# 45 ALA HN 42 TYR HA 4.50 (# 1390:25 Unique 3.19, 3.39 A)
&rst
ixpk= 1390, nxpk= 25, iat= 711, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1391 42 TYR HA 5.50 (# 1391:25 Single Ambig)
&rst
ixpk= 1391, nxpk= 25, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 614, 640,
&end
#
# 39 SER HN 42 TYR HB+ 4.50 (# 1393:25 Unique 2.61, 2.98 A)
&rst
ixpk= 1393, nxpk= 25, iat= 614, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 658, 659,
&end
#
# 39 SER HN 42 TYR HB- 4.50 (# 1394:25 Unique 2.61, 2.98 A)
&rst
ixpk= 1394, nxpk= 25, iat= 614, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 658, 659,
&end
#
# 42 TYR HN 42 TYR HB+ 3.50 (# 1395:25 Unique 2.27, 2.43 A)
&rst
ixpk= 1395, nxpk= 25, iat= 654, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 658, 659,
&end
#
# 42 TYR HN 42 TYR HB- 3.50 (# 1396:25 Unique 2.27, 2.43 A)
&rst
ixpk= 1396, nxpk= 25, iat= 654, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 658, 659,
&end
#
# 43 ILE HN 42 TYR HB+ 4.50 (# 1397:25 Unique 2.33, 3.08 A)
&rst
ixpk= 1397, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 658, 659,
&end
#
# 42 TYR HD 42 TYR HB+ 4.50 (# 1398:25 Unique 2.38, 3.06 A)
&rst
ixpk= 1398, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 662, 671,
igr2= 658, 659,
&end
#
# 42 TYR HD 42 TYR HB- 4.50 (# 1401:25 Unique 2.38, 3.06 A)
&rst
ixpk= 1401, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 662, 671,
igr2= 658, 659,
&end
#
# 43 ILE HN 42 TYR HB- 4.50 (# 1402:25 Unique 2.33, 3.08 A)
&rst
ixpk= 1402, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 658, 659,
&end
#
# 38 ILE HA 42 TYR HB+ 5.50 (# 1403:25 Unique 4.04, 4.34 A)
&rst
ixpk= 1403, nxpk= 25, iat= 597, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 658, 659,
&end
#
# 73 GLY HA+ 42 TYR HB- 4.50 (# 1405:25 Unique 2.31, 4.22 A)
&rst
ixpk= 1405, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1128,1129,
igr2= 658, 659,
&end
#
# 0 AMB 25-2:1406 0 AMB 25-1:1406 4.50 (# 1406:25 Double Ambig)
&rst
ixpk= 1406, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 656, 618, 619,
igr2= 658, 659, 658, 659,
&end
#
# 0 AMB 25-2:1407 42 TYR HB- 4.50 (# 1407:25 Single Ambig)
&rst
ixpk= 1407, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 656, 618, 619,
igr2= 658, 659,
&end
#
# 38 ILE HB 42 TYR HB+ 4.50 (# 1413:25 Unique 2.25, 2.67 A)
&rst
ixpk= 1413, nxpk= 25, iat= 599, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 658, 659,
&end
#
# 38 ILE HB 42 TYR HB- 4.50 (# 1414:25 Unique 2.25, 2.67 A)
&rst
ixpk= 1414, nxpk= 25, iat= 599, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 658, 659,
&end
#
# 0 AMB 25-2:1415 0 AMB 25-1:1415 4.50 (# 1415:25 Double Ambig)
&rst
ixpk= 1415, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 608, 609, 610, 688, 689, 690,
igr2= 658, 659, 658, 659,
&end
#
# 38 ILE HG1+ 42 TYR HB+ 5.50 (# 1416:25 Unique 3.73, 5.04 A)
&rst
ixpk= 1416, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 605, 606,
igr2= 658, 659,
&end
#
# 0 AMB 25-2:1417 42 TYR HB- 4.50 (# 1417:25 Single Ambig)
&rst
ixpk= 1417, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 608, 609, 610, 688, 689, 690,
igr2= 658, 659,
&end
#
# 38 ILE HG1+ 42 TYR HB- 5.50 (# 1418:25 Unique 3.73, 5.04 A)
&rst
ixpk= 1418, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 605, 606,
igr2= 658, 659,
&end
#
# 0 AMB 25-2:1419 0 AMB 25-1:1419 5.50 (# 1419:25 Double Ambig)
&rst
ixpk= 1419, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 516, 517, 518, 520, 521, 522, 681, 682, 683,
igr2= 658, 659, 658, 659,
&end
#
# 38 ILE QG2 42 TYR HB+ 4.50 (# 1420:25 Unique 3.66, 4.58 A)
&rst
ixpk= 1420, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 601, 602, 603,
igr2= 658, 659,
&end
#
# 38 ILE QG2 42 TYR HB- 4.50 (# 1421:25 Unique 3.66, 4.58 A)
&rst
ixpk= 1421, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 601, 602, 603,
igr2= 658, 659,
&end
#
# 46 ILE QD1 43 ILE HA 3.50 (# 1422:25 Unique 2.28, 3.62 A)
&rst
ixpk= 1422, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 734, 735, 736,
&end
#
# 43 ILE HG1- 43 ILE HA 3.50 (# 1423:25 Unique 2.32, 2.82 A)
&rst
ixpk= 1423, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 685, 686,
&end
#
# 43 ILE QD1 43 ILE HA 3.50 (# 1425:25 Unique 2.76, 4.58 A)
&rst
ixpk= 1425, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 688, 689, 690,
&end
#
# 45 ALA MB 43 ILE HA 5.50 (# 1426:25 Unique 5.05, 6.02 A)
&rst
ixpk= 1426, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 715, 716, 717,
&end
#
# 46 ILE HG1- 43 ILE HA 4.50 (# 1427:25 Unique 2.70, 4.05 A)
&rst
ixpk= 1427, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 731, 732,
&end
#
# 0 AMB 25-2:1428 43 ILE HA 2.80 (# 1428:25 Single Ambig)
&rst
ixpk= 1428, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 685, 686, 679,
&end
#
# 29 MET HG- 43 ILE HA 5.50 (# 1429:25 Unique 2.75, 3.80 A)
&rst
ixpk= 1429, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 451, 452,
&end
#
# 29 MET HG+ 43 ILE HA 4.50 (# 1430:25 Unique 2.75, 3.80 A)
&rst
ixpk= 1430, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 451, 452,
&end
#
# 42 TYR HD 43 ILE HA 5.50 (# 1436:25 Unique 3.16, 5.01 A)
&rst
ixpk= 1436, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 662, 671,
&end
#
# 43 ILE HN 43 ILE HA 3.50 (# 1437:25 Unique 2.81, 2.83 A)
&rst
ixpk= 1437, nxpk= 25, iat= 675, 677, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 GLN HN 43 ILE HA 4.50 (# 1438:25 Unique 3.62, 3.63 A)
&rst
ixpk= 1438, nxpk= 25, iat= 694, 677, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ILE HN 43 ILE HA 4.50 (# 1439:25 Unique 3.39, 3.49 A)
&rst
ixpk= 1439, nxpk= 25, iat= 721, 677, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1440 43 ILE HA 5.50 (# 1440:25 Single Ambig)
&rst
ixpk= 1440, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 740, 654,
&end
#
# 45 ALA HN 43 ILE HA 5.50 (# 1441:25 Unique 4.22, 4.34 A)
&rst
ixpk= 1441, nxpk= 25, iat= 711, 677, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 GLN HN 43 ILE HB 3.50 (# 1443:25 Unique 2.58, 2.67 A)
&rst
ixpk= 1443, nxpk= 25, iat= 694, 679, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 43 ILE HN 43 ILE HB 3.50 (# 1444:25 Unique 2.07, 2.47 A)
&rst
ixpk= 1444, nxpk= 25, iat= 675, 679, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 ASP HA 112 ILE HB 3.50 (# 1445:25 Unique 2.08, 2.26 A)
&rst
ixpk= 1445, nxpk= 25, iat=1655,1697, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 GLU HA 43 ILE HB 3.50 (# 1446:25 Unique 2.66, 3.08 A)
&rst
ixpk= 1446, nxpk= 25, iat= 627, 679, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 ILE HA 112 ILE HB 3.50 (# 1447:25 Unique 3.01, 3.04 A)
&rst
ixpk= 1447, nxpk= 25, iat=1695,1697, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1448 43 ILE HB 4.50 (# 1448:25 Single Ambig)
&rst
ixpk= 1448, nxpk= 25, iat= -1, 679, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 677, 658, 659,
&end
#
# 0 AMB 25-2:1449 0 AMB 25-1:1449 4.50 (# 1449:25 Double Ambig)
&rst
ixpk= 1449, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 753, 754,1657,1658,
igr2= 679,1697,
&end
#
# 112 ILE HG1- 112 ILE HB 2.80 (# 1450:25 Unique 2.32, 2.44 A)
&rst
ixpk= 1450, nxpk= 25, iat= -1,1697, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1703,1704,
&end
#
# 112 ILE HG1+ 112 ILE HB 3.50 (# 1451:25 Unique 2.32, 2.44 A)
&rst
ixpk= 1451, nxpk= 25, iat= -1,1697, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1703,1704,
&end
#
# 43 ILE HG1- 43 ILE HB 3.50 (# 1452:25 Unique 2.44, 2.77 A)
&rst
ixpk= 1452, nxpk= 25, iat= -1, 679, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 685, 686,
&end
#
# 0 AMB 25-2:1454 0 AMB 25-1:1454 2.80 (# 1454:25 Double Ambig)
&rst
ixpk= 1454, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 681, 682, 683, 516, 517, 518, 520, 521, 522,
igr2= 685, 686, 685, 686,
&end
#
# 0 AMB 25-2:1455 0 AMB 25-1:1455 2.80 (# 1455:25 Double Ambig)
&rst
ixpk= 1455, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 608, 609, 610, 688, 689, 690,
igr2= 685, 686, 685, 686,
&end
#
# 0 AMB 25-2:1456 0 AMB 25-1:1456 3.50 (# 1456:25 Double Ambig)
&rst
ixpk= 1456, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 677, 658, 659,
igr2= 685, 686, 685, 686,
&end
#
# 43 ILE HN 43 ILE HG1+ 3.50 (# 1457:25 Unique 1.82, 2.62 A)
&rst
ixpk= 1457, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 685, 686,
&end
#
# 0 AMB 25-2:1458 43 ILE HG1- 5.50 (# 1458:25 Single Ambig)
&rst
ixpk= 1458, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 444, 740,
igr2= 685, 686,
&end
#
# 43 ILE HN 43 ILE HG1- 4.50 (# 1459:25 Unique 1.82, 2.62 A)
&rst
ixpk= 1459, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 685, 686,
&end
#
# 40 GLU HA 43 ILE HG1- 5.50 (# 1460:25 Unique 2.76, 3.87 A)
&rst
ixpk= 1460, nxpk= 25, iat= 627, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 685, 686,
&end
#
# 0 AMB 25-2:1461 43 ILE HG1- 4.50 (# 1461:25 Single Ambig)
&rst
ixpk= 1461, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 677, 658, 659,
igr2= 685, 686,
&end
#
# 29 MET HG+ 43 ILE HG1- 4.50 (# 1462:25 Unique 2.17, 4.08 A)
&rst
ixpk= 1462, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 451, 452,
igr2= 685, 686,
&end
#
# 0 AMB 25-2:1464 43 ILE HG1- 2.80 (# 1464:25 Single Ambig)
&rst
ixpk= 1464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 608, 609, 610, 688, 689, 690,
igr2= 685, 686,
&end
#
# 0 AMB 25-2:1465 43 ILE HG1- 4.50 (# 1465:25 Single Ambig)
&rst
ixpk= 1465, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 681, 682, 683, 516, 517, 518, 520, 521, 522,
igr2= 685, 686,
&end
#
# 33 LEU HB+ 43 ILE QD1 3.50 (# 1468:25 Unique 2.10, 3.62 A)
&rst
ixpk= 1468, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 511, 512,
igr2= 688, 689, 690,
&end
#
# 0 AMB 25-2:1469 43 ILE QD1 2.80 (# 1469:25 Single Ambig)
&rst
ixpk= 1469, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 685, 686, 679,
igr2= 688, 689, 690,
&end
#
# 0 AMB 25-2:1470 43 ILE QD1 4.50 (# 1470:25 Single Ambig)
&rst
ixpk= 1470, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 632, 633, 629, 630,
igr2= 688, 689, 690,
&end
#
# 0 AMB 25-2:1471 43 ILE QD1 4.50 (# 1471:25 Single Ambig)
&rst
ixpk= 1471, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 677, 658, 659,
igr2= 688, 689, 690,
&end
#
# 30 VAL HA 43 ILE QD1 4.50 (# 1472:25 Unique 3.83, 4.48 A)
&rst
ixpk= 1472, nxpk= 25, iat= 463, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 688, 689, 690,
&end
#
# 40 GLU HA 43 ILE QD1 3.50 (# 1473:25 Unique 2.46, 3.51 A)
&rst
ixpk= 1473, nxpk= 25, iat= 627, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 688, 689, 690,
&end
#
# 26 ASP HA 43 ILE QD1 4.50 (# 1474:25 Unique 2.94, 4.24 A)
&rst
ixpk= 1474, nxpk= 25, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 688, 689, 690,
&end
#
# 43 ILE HN 43 ILE QD1 4.50 (# 1475:25 Unique 2.45, 4.14 A)
&rst
ixpk= 1475, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 688, 689, 690,
&end
#
# 0 AMB 25-2:1476 43 ILE QD1 5.50 (# 1476:25 Single Ambig)
&rst
ixpk= 1476, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 654, 444,
igr2= 688, 689, 690,
&end
#
# 0 AMB 25-2:1477 43 ILE QG2 4.50 (# 1477:25 Single Ambig)
&rst
ixpk= 1477, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 401, 382,
igr2= 681, 682, 683,
&end
#
# 47 LYS HN 43 ILE QG2 4.50 (# 1478:25 Unique 4.23, 5.34 A)
&rst
ixpk= 1478, nxpk= 25, iat= 740, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 681, 682, 683,
&end
#
# 46 ILE HN 43 ILE QG2 5.50 (# 1479:25 Unique 4.92, 5.83 A)
&rst
ixpk= 1479, nxpk= 25, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 681, 682, 683,
&end
#
# 44 GLN HN 43 ILE QG2 4.50 (# 1480:25 Unique 3.02, 4.44 A)
&rst
ixpk= 1480, nxpk= 25, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 681, 682, 683,
&end
#
# 43 ILE HN 43 ILE QG2 4.50 (# 1481:25 Unique 4.06, 4.48 A)
&rst
ixpk= 1481, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 681, 682, 683,
&end
#
# 26 ASP HA 43 ILE QG2 4.50 (# 1483:25 Unique 2.44, 3.26 A)
&rst
ixpk= 1483, nxpk= 25, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 681, 682, 683,
&end
#
# 43 ILE HA 43 ILE QG2 3.50 (# 1484:25 Unique 2.61, 3.20 A)
&rst
ixpk= 1484, nxpk= 25, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 681, 682, 683,
&end
#
# 22 GLN HA 43 ILE QG2 5.50 (# 1485:25 Unique 5.67, 6.57 A)
&rst
ixpk= 1485, nxpk= 25, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 681, 682, 683,
&end
#
# 29 MET HG+ 43 ILE QG2 4.50 (# 1486:25 Unique 2.14, 4.17 A)
&rst
ixpk= 1486, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 451, 452,
igr2= 681, 682, 683,
&end
#
# 47 LYS HE- 43 ILE QG2 4.50 (# 1487:25 Unique 1.90, 3.53 A)
&rst
ixpk= 1487, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 753, 754,
igr2= 681, 682, 683,
&end
#
# 47 LYS HE+ 43 ILE QG2 3.50 (# 1488:25 Unique 1.90, 3.53 A)
&rst
ixpk= 1488, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 753, 754,
igr2= 681, 682, 683,
&end
#
# 25 ILE HB 43 ILE QG2 4.50 (# 1489:25 Unique 3.38, 4.10 A)
&rst
ixpk= 1489, nxpk= 25, iat= 386, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 681, 682, 683,
&end
#
# 43 ILE HB 43 ILE QG2 2.80 (# 1490:25 Unique 2.34, 2.65 A)
&rst
ixpk= 1490, nxpk= 25, iat= 679, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 681, 682, 683,
&end
#
# 47 LYS HD+ 43 ILE QG2 4.50 (# 1491:25 Unique 2.57, 4.81 A)
&rst
ixpk= 1491, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 750, 751,
igr2= 681, 682, 683,
&end
#
# 47 LYS HD+ 44 GLN HA 3.50 (# 1492:25 Unique 2.11, 2.96 A)
&rst
ixpk= 1492, nxpk= 25, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 750, 751,
&end
#
# 0 AMB 25-2:1493 44 GLN HA 3.50 (# 1493:25 Single Ambig)
&rst
ixpk= 1493, nxpk= 25, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 750, 751, 747, 748,
&end
#
# 47 LYS HB+ 44 GLN HA 2.80 (# 1494:25 Unique 2.08, 3.18 A)
&rst
ixpk= 1494, nxpk= 25, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 744, 745,
&end
#
# 44 GLN HG+ 44 GLN HA 2.80 (# 1495:25 Unique 2.35, 3.18 A)
&rst
ixpk= 1495, nxpk= 25, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 701, 702,
&end
#
# 44 GLN HE2- 44 GLN HA 4.50 (# 1499:25 Unique 2.90, 3.39 A)
&rst
ixpk= 1499, nxpk= 25, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 706, 707,
&end
#
# 44 GLN HN 44 GLN HA 3.50 (# 1500:25 Unique 2.84, 2.85 A)
&rst
ixpk= 1500, nxpk= 25, iat= 694, 696, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ILE HN 44 GLN HA 4.50 (# 1501:25 Unique 3.77, 4.02 A)
&rst
ixpk= 1501, nxpk= 25, iat= 721, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 LYS HN 44 GLN HA 3.50 (# 1502:25 Unique 2.87, 2.99 A)
&rst
ixpk= 1502, nxpk= 25, iat= 740, 696, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 GLN HE2+ 44 GLN HA 4.50 (# 1503:25 Unique 2.90, 3.39 A)
&rst
ixpk= 1503, nxpk= 25, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 706, 707,
&end
#
# 45 ALA HN 44 GLN HA 3.50 (# 1504:25 Unique 3.52, 3.54 A)
&rst
ixpk= 1504, nxpk= 25, iat= 711, 696, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ASP HN 44 GLN HA 4.50 (# 1505:25 Unique 3.58, 3.77 A)
&rst
ixpk= 1505, nxpk= 25, iat= 762, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 GLN HN 44 GLN HB- 3.50 (# 1506:25 Unique 2.15, 2.64 A)
&rst
ixpk= 1506, nxpk= 25, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 698, 699,
&end
#
# 44 GLN HN 44 GLN HB+ 2.80 (# 1507:25 Unique 2.15, 2.64 A)
&rst
ixpk= 1507, nxpk= 25, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 698, 699,
&end
#
# 55 PRO HB+ 55 PRO HG+ 2.80 (# 1508:25 Unique 2.26, 2.63 A)
&rst
ixpk= 1508, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 860, 861,
igr2= 857, 858,
&end
#
# 58 ILE QD1 55 PRO HG+ 4.50 (# 1509:25 Unique 2.82, 5.20 A)
&rst
ixpk= 1509, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 922, 923, 924,
igr2= 857, 858,
&end
#
# 44 GLN HB+ 44 GLN HG- 2.80 (# 1510:25 Unique 2.39, 2.62 A)
&rst
ixpk= 1510, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 698, 699,
igr2= 701, 702,
&end
#
# 44 GLN HB- 44 GLN HG- 2.80 (# 1511:25 Unique 2.39, 2.62 A)
&rst
ixpk= 1511, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 698, 699,
igr2= 701, 702,
&end
#
# 44 GLN HB+ 44 GLN HG+ 2.80 (# 1512:25 Unique 2.39, 2.62 A)
&rst
ixpk= 1512, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 698, 699,
igr2= 701, 702,
&end
#
# 44 GLN HB- 44 GLN HG+ 2.80 (# 1513:25 Unique 2.39, 2.62 A)
&rst
ixpk= 1513, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 698, 699,
igr2= 701, 702,
&end
#
# 44 GLN HA 44 GLN HG- 3.50 (# 1514:25 Unique 2.35, 3.18 A)
&rst
ixpk= 1514, nxpk= 25, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 701, 702,
&end
#
# 44 GLN HA 44 GLN HG+ 3.50 (# 1515:25 Unique 2.35, 3.18 A)
&rst
ixpk= 1515, nxpk= 25, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 701, 702,
&end
#
# 0 AMB 25-2:1516 44 GLN HG- 5.50 (# 1516:25 Single Ambig)
&rst
ixpk= 1516, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 642, 764,
igr2= 701, 702,
&end
#
# 44 GLN HE2- 44 GLN HG- 3.50 (# 1517:25 Unique 2.27, 3.31 A)
&rst
ixpk= 1517, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 706, 707,
igr2= 701, 702,
&end
#
# 44 GLN HE2- 44 GLN HG+ 3.50 (# 1518:25 Unique 2.27, 3.31 A)
&rst
ixpk= 1518, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 706, 707,
igr2= 701, 702,
&end
#
# 44 GLN HN 44 GLN HG- 4.50 (# 1519:25 Unique 3.06, 4.45 A)
&rst
ixpk= 1519, nxpk= 25, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 701, 702,
&end
#
# 44 GLN HE2+ 44 GLN HG- 2.80 (# 1521:25 Unique 2.27, 3.31 A)
&rst
ixpk= 1521, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 706, 707,
igr2= 701, 702,
&end
#
# 44 GLN HE2+ 44 GLN HG+ 2.80 (# 1522:25 Unique 2.27, 3.31 A)
&rst
ixpk= 1522, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 706, 707,
igr2= 701, 702,
&end
#
# 45 ALA HN 44 GLN HG- 5.50 (# 1523:25 Unique 4.53, 5.07 A)
&rst
ixpk= 1523, nxpk= 25, iat= 711, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 701, 702,
&end
#
# 45 ALA HN 44 GLN HG+ 4.50 (# 1524:25 Unique 4.53, 5.07 A)
&rst
ixpk= 1524, nxpk= 25, iat= 711, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 701, 702,
&end
#
# 48 ASP HN 45 ALA HA 4.50 (# 1525:25 Unique 3.39, 3.48 A)
&rst
ixpk= 1525, nxpk= 25, iat= 762, 713, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 LEU HN 75 LEU HA 3.50 (# 1526:25 Unique 2.99, 2.99 A)
&rst
ixpk= 1526, nxpk= 25, iat=1143,1145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 ALA HN 45 ALA HA 2.80 (# 1527:25 Unique 2.81, 2.83 A)
&rst
ixpk= 1527, nxpk= 25, iat= 711, 713, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 46 ILE HN 45 ALA HA 4.50 (# 1528:25 Unique 3.54, 3.59 A)
&rst
ixpk= 1528, nxpk= 25, iat= 721, 713, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 GLN HN 45 ALA HA 5.50 (# 1529:25 Unique 5.32, 5.35 A)
&rst
ixpk= 1529, nxpk= 25, iat= 694, 713, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 ASP HB- 45 ALA HA 3.50 (# 1530:25 Unique 2.45, 3.11 A)
&rst
ixpk= 1530, nxpk= 25, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 766, 767,
&end
#
# 45 ALA MB 45 ALA HA 2.80 (# 1531:25 Unique 2.39, 2.67 A)
&rst
ixpk= 1531, nxpk= 25, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 715, 716, 717,
&end
#
# 75 LEU MDY 75 LEU HA 2.80 (# 1532:25 Unique 2.27, 3.91 A)
&rst
ixpk= 1532, nxpk= 25, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 45 ALA HN 45 ALA MB 2.80 (# 1533:25 Unique 2.44, 2.95 A)
&rst
ixpk= 1533, nxpk= 25, iat= 711, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 715, 716, 717,
&end
#
# 46 ILE HN 45 ALA MB 3.50 (# 1534:25 Unique 2.52, 3.55 A)
&rst
ixpk= 1534, nxpk= 25, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 715, 716, 717,
&end
#
# 44 GLN HN 45 ALA MB 4.50 (# 1535:25 Unique 5.01, 5.54 A)
&rst
ixpk= 1535, nxpk= 25, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 715, 716, 717,
&end
#
# 45 ALA HA 45 ALA MB 2.80 (# 1537:25 Unique 2.39, 2.67 A)
&rst
ixpk= 1537, nxpk= 25, iat= 713, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 715, 716, 717,
&end
#
# 42 TYR HA 45 ALA MB 3.50 (# 1538:25 Unique 2.72, 3.54 A)
&rst
ixpk= 1538, nxpk= 25, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 715, 716, 717,
&end
#
# 0 AMB 25-2:1539 45 ALA MB 5.50 (# 1539:25 Single Ambig)
&rst
ixpk= 1539, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 677, 658, 659,
igr2= 715, 716, 717,
&end
#
# 72 CYS HB+ 45 ALA MB 2.80 (# 1540:25 Unique 2.34, 3.37 A)
&rst
ixpk= 1540, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1119,1120,
igr2= 715, 716, 717,
&end
#
# 48 ASP HB- 45 ALA MB 4.50 (# 1541:25 Unique 4.36, 5.56 A)
&rst
ixpk= 1541, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 766, 767,
igr2= 715, 716, 717,
&end
#
# 68 ALA MB 45 ALA MB 2.80 (# 1542:25 Unique 2.84, 3.99 A)
&rst
ixpk= 1542, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1056,1057,1058,
igr2= 715, 716, 717,
&end
#
# 46 ILE QD1 45 ALA MB 4.50 (# 1543:25 Unique 4.59, 6.68 A)
&rst
ixpk= 1543, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 734, 735, 736,
igr2= 715, 716, 717,
&end
#
# 46 ILE HG1+ 46 ILE HA 3.50 (# 1544:25 Unique 2.49, 2.83 A)
&rst
ixpk= 1544, nxpk= 25, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 731, 732,
&end
#
# 46 ILE QD1 46 ILE HA 4.50 (# 1545:25 Unique 4.30, 4.70 A)
&rst
ixpk= 1545, nxpk= 25, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 734, 735, 736,
&end
#
# 46 ILE QG2 46 ILE HA 3.50 (# 1546:25 Unique 2.42, 3.14 A)
&rst
ixpk= 1546, nxpk= 25, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 727, 728, 729,
&end
#
# 68 ALA MB 46 ILE HA 4.50 (# 1547:25 Unique 3.38, 4.74 A)
&rst
ixpk= 1547, nxpk= 25, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1056,1057,1058,
&end
#
# 46 ILE HG1- 46 ILE HA 3.50 (# 1548:25 Unique 2.49, 2.83 A)
&rst
ixpk= 1548, nxpk= 25, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 731, 732,
&end
#
# 46 ILE HB 46 ILE HA 3.50 (# 1549:25 Unique 3.02, 3.04 A)
&rst
ixpk= 1549, nxpk= 25, iat= 725, 723, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 SER HB- 46 ILE HA 4.50 (# 1550:25 Unique 2.68, 4.09 A)
&rst
ixpk= 1550, nxpk= 25, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 778, 779,
&end
#
# 46 ILE HN 46 ILE HA 3.50 (# 1552:25 Unique 2.84, 2.88 A)
&rst
ixpk= 1552, nxpk= 25, iat= 721, 723, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ILE HN 46 ILE HB 2.80 (# 1553:25 Unique 2.13, 2.47 A)
&rst
ixpk= 1553, nxpk= 25, iat= 721, 725, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 ILE HA 46 ILE HB 4.50 (# 1554:25 Unique 2.73, 3.23 A)
&rst
ixpk= 1554, nxpk= 25, iat= 677, 725, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ILE QG2 46 ILE HB 2.80 (# 1555:25 Unique 2.25, 2.66 A)
&rst
ixpk= 1555, nxpk= 25, iat= -1, 725, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 727, 728, 729,
&end
#
# 46 ILE QD1 46 ILE HB 3.50 (# 1556:25 Unique 2.45, 3.18 A)
&rst
ixpk= 1556, nxpk= 25, iat= -1, 725, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 734, 735, 736,
&end
#
# 46 ILE HG1+ 46 ILE HB 4.50 (# 1557:25 Unique 2.40, 2.77 A)
&rst
ixpk= 1557, nxpk= 25, iat= -1, 725, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 731, 732,
&end
#
# 46 ILE HA 46 ILE HG1- 3.50 (# 1559:25 Unique 2.49, 2.83 A)
&rst
ixpk= 1559, nxpk= 25, iat= 723, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 731, 732,
&end
#
# 46 ILE HN 46 ILE HG1- 3.50 (# 1560:25 Unique 2.01, 2.78 A)
&rst
ixpk= 1560, nxpk= 25, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 731, 732,
&end
#
# 68 ALA HN 46 ILE QD1 5.50 (# 1562:25 Unique 2.29, 4.16 A)
&rst
ixpk= 1562, nxpk= 25, iat=1052, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 734, 735, 736,
&end
#
# 0 AMB 25-2:1563 46 ILE QD1 4.50 (# 1563:25 Single Ambig)
&rst
ixpk= 1563, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 740, 654,
igr2= 734, 735, 736,
&end
#
# 46 ILE HN 46 ILE QD1 4.50 (# 1564:25 Unique 3.67, 4.37 A)
&rst
ixpk= 1564, nxpk= 25, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 734, 735, 736,
&end
#
# 43 ILE HN 46 ILE QD1 5.50 (# 1565:25 Unique 4.45, 5.87 A)
&rst
ixpk= 1565, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 734, 735, 736,
&end
#
# 67 HIS HD2 46 ILE QD1 5.50 (# 1567:25 Unique 5.44, 6.75 A)
&rst
ixpk= 1567, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 734, 735, 736,
&end
#
# 67 HIS HN 46 ILE QD1 4.50 (# 1569:25 Unique 2.57, 3.86 A)
&rst
ixpk= 1569, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 734, 735, 736,
&end
#
# 68 ALA HA 46 ILE QD1 5.50 (# 1571:25 Unique 4.23, 5.45 A)
&rst
ixpk= 1571, nxpk= 25, iat=1054, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 734, 735, 736,
&end
#
# 0 AMB 25-2:1572 46 ILE QD1 4.50 (# 1572:25 Single Ambig)
&rst
ixpk= 1572, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 723, 437, 438,
igr2= 734, 735, 736,
&end
#
# 43 ILE HA 46 ILE QD1 3.50 (# 1573:25 Unique 2.28, 3.62 A)
&rst
ixpk= 1573, nxpk= 25, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 734, 735, 736,
&end
#
# 29 MET HG+ 46 ILE QD1 4.50 (# 1574:25 Unique 2.17, 3.85 A)
&rst
ixpk= 1574, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 451, 452,
igr2= 734, 735, 736,
&end
#
# 29 MET HG- 46 ILE QD1 4.50 (# 1575:25 Unique 2.17, 3.85 A)
&rst
ixpk= 1575, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 451, 452,
igr2= 734, 735, 736,
&end
#
# 0 AMB 25-2:1576 46 ILE QD1 2.80 (# 1576:25 Single Ambig)
&rst
ixpk= 1576, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
igr1= 455, 456, 457, 685, 686,1025,1026,
igr2= 734, 735, 736,
&end
#
# 46 ILE HB 46 ILE QD1 3.50 (# 1577:25 Unique 2.45, 3.18 A)
&rst
ixpk= 1577, nxpk= 25, iat= 725, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 734, 735, 736,
&end
#
# 0 AMB 25-2:1578 46 ILE QD1 2.80 (# 1578:25 Single Ambig)
&rst
ixpk= 1578, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1028,1029, 731, 732,
igr2= 734, 735, 736,
&end
#
# 66 PRO HB- 46 ILE QD1 3.50 (# 1579:25 Unique 2.25, 4.08 A)
&rst
ixpk= 1579, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1028,1029,
igr2= 734, 735, 736,
&end
#
# 46 ILE HG1+ 46 ILE QD1 3.50 (# 1582:25 Unique 2.35, 2.65 A)
&rst
ixpk= 1582, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 731, 732,
igr2= 734, 735, 736,
&end
#
# 46 ILE HA 46 ILE QG2 2.80 (# 1584:25 Unique 2.42, 3.14 A)
&rst
ixpk= 1584, nxpk= 25, iat= 723, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 727, 728, 729,
&end
#
# 46 ILE HN 46 ILE QG2 5.50 (# 1587:25 Unique 4.04, 4.51 A)
&rst
ixpk= 1587, nxpk= 25, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 727, 728, 729,
&end
#
# 0 AMB 25-2:1590 47 LYS HA 3.50 (# 1590:25 Single Ambig)
&rst
ixpk= 1590, nxpk= 25, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 785, 799,
&end
#
# 47 LYS HN 47 LYS HA 4.50 (# 1592:25 Unique 2.80, 2.83 A)
&rst
ixpk= 1592, nxpk= 25, iat= 740, 742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ILE HN 47 LYS HA 5.50 (# 1593:25 Unique 5.05, 5.18 A)
&rst
ixpk= 1593, nxpk= 25, iat= 721, 742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1606 47 LYS HA 3.50 (# 1606:25 Single Ambig)
&rst
ixpk= 1606, nxpk= 25, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 744, 745, 744, 745,
&end
#
# 47 LYS HG+ 47 LYS HA 3.50 (# 1607:25 Unique 2.58, 2.84 A)
&rst
ixpk= 1607, nxpk= 25, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 747, 748,
&end
#
# 0 AMB 25-2:1608 47 LYS HA 2.80 (# 1608:25 Single Ambig)
&rst
ixpk= 1608, nxpk= 25, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 395, 396, 397, 747, 748,
&end
#
# 46 ILE QG2 47 LYS HA 3.50 (# 1609:25 Unique 3.66, 4.74 A)
&rst
ixpk= 1609, nxpk= 25, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 727, 728, 729,
&end
#
# 0 AMB 25-2:1610 47 LYS HA 4.50 (# 1610:25 Single Ambig)
&rst
ixpk= 1610, nxpk= 25, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 791, 792, 793, 347, 348,
&end
#
# 47 LYS HG- 47 LYS HB+ 4.50 (# 1611:25 Unique 2.34, 2.75 A)
&rst
ixpk= 1611, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 747, 748,
igr2= 744, 745,
&end
#
# 47 LYS HG- 47 LYS HB- 4.50 (# 1612:25 Unique 2.34, 2.75 A)
&rst
ixpk= 1612, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 747, 748,
igr2= 744, 745,
&end
#
# 47 LYS HD+ 47 LYS HB+ 3.50 (# 1613:25 Unique 2.39, 2.80 A)
&rst
ixpk= 1613, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 750, 751,
igr2= 744, 745,
&end
#
# 47 LYS HA 47 LYS HB+ 3.50 (# 1615:25 Unique 2.49, 2.79 A)
&rst
ixpk= 1615, nxpk= 25, iat= 742, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 744, 745,
&end
#
# 47 LYS HA 47 LYS HB- 4.50 (# 1616:25 Unique 2.49, 2.79 A)
&rst
ixpk= 1616, nxpk= 25, iat= 742, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 744, 745,
&end
#
# 44 GLN HE2- 0 AMB 25-1:1618 5.50 (# 1618:25 Single Ambig)
&rst
ixpk= 1618, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 706, 707,
igr2= 744, 745, 744, 745,
&end
#
# 47 LYS HN 47 LYS HB- 3.50 (# 1620:25 Unique 2.36, 3.03 A)
&rst
ixpk= 1620, nxpk= 25, iat= 740, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 744, 745,
&end
#
# 48 ASP HN 47 LYS HB+ 4.50 (# 1621:25 Unique 2.47, 3.18 A)
&rst
ixpk= 1621, nxpk= 25, iat= 762, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 744, 745,
&end
#
# 48 ASP HN 47 LYS HB- 4.50 (# 1622:25 Unique 2.47, 3.18 A)
&rst
ixpk= 1622, nxpk= 25, iat= 762, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 744, 745,
&end
#
# 47 LYS HG- 47 LYS HD- 3.50 (# 1623:25 Unique 2.38, 2.74 A)
&rst
ixpk= 1623, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 747, 748,
igr2= 750, 751,
&end
#
# 0 AMB 25-2:1627 47 LYS HD- 4.50 (# 1627:25 Single Ambig)
&rst
ixpk= 1627, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 753, 754, 701, 702,
igr2= 750, 751,
&end
#
# 0 AMB 25-2:1628 0 AMB 25-1:1628 4.50 (# 1628:25 Double Ambig)
&rst
ixpk= 1628, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 753, 754, 701, 702,
igr2= 750, 751, 750, 751,
&end
#
# 47 LYS HE- 47 LYS HD- 4.50 (# 1629:25 Unique 2.38, 2.75 A)
&rst
ixpk= 1629, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 753, 754,
igr2= 750, 751,
&end
#
# 47 LYS HE- 47 LYS HD+ 5.50 (# 1630:25 Unique 2.38, 2.75 A)
&rst
ixpk= 1630, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 753, 754,
igr2= 750, 751,
&end
#
# 47 LYS HN 47 LYS HD- 3.50 (# 1633:25 Unique 3.66, 4.16 A)
&rst
ixpk= 1633, nxpk= 25, iat= 740, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 750, 751,
&end
#
# 47 LYS HN 47 LYS HD+ 5.50 (# 1634:25 Unique 3.66, 4.16 A)
&rst
ixpk= 1634, nxpk= 25, iat= 740, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 750, 751,
&end
#
# 0 AMB 25-2:1638 47 LYS HE- 2.80 (# 1638:25 Single Ambig)
&rst
ixpk= 1638, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 750, 751, 747, 748,
igr2= 753, 754,
&end
#
# 0 AMB 25-2:1639 47 LYS HE- 3.50 (# 1639:25 Single Ambig)
&rst
ixpk= 1639, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 750, 751, 344, 345,
igr2= 753, 754,
&end
#
# 0 AMB 25-2:1640 0 AMB 25-1:1640 3.50 (# 1640:25 Double Ambig)
&rst
ixpk= 1640, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 750, 751, 344, 345,
igr2= 753, 754, 753, 754,
&end
#
# 0 AMB 25-2:1641 0 AMB 25-1:1641 3.50 (# 1641:25 Double Ambig)
&rst
ixpk= 1641, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 750, 751, 747, 748,
igr2= 753, 754, 753, 754,
&end
#
# 47 LYS HG- 47 LYS HE- 4.50 (# 1642:25 Unique 2.42, 2.83 A)
&rst
ixpk= 1642, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 747, 748,
igr2= 753, 754,
&end
#
# 47 LYS HG- 47 LYS HE+ 3.50 (# 1643:25 Unique 2.42, 2.83 A)
&rst
ixpk= 1643, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 747, 748,
igr2= 753, 754,
&end
#
# 43 ILE QG2 47 LYS HE- 3.50 (# 1644:25 Unique 1.90, 3.53 A)
&rst
ixpk= 1644, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 681, 682, 683,
igr2= 753, 754,
&end
#
# 43 ILE QG2 47 LYS HE+ 3.50 (# 1645:25 Unique 1.90, 3.53 A)
&rst
ixpk= 1645, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 681, 682, 683,
igr2= 753, 754,
&end
#
# 51 ILE QD1 48 ASP HA 3.50 (# 1646:25 Unique 2.21, 3.48 A)
&rst
ixpk= 1646, nxpk= 25, iat= -1, 764, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 812, 813, 814,
&end
#
# 51 ILE HB 48 ASP HA 3.50 (# 1647:25 Unique 2.29, 2.55 A)
&rst
ixpk= 1647, nxpk= 25, iat= 803, 764, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ASP HB+ 48 ASP HA 2.80 (# 1648:25 Unique 2.42, 2.73 A)
&rst
ixpk= 1648, nxpk= 25, iat= -1, 764, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 766, 767,
&end
#
# 0 AMB 25-2:1651 48 ASP HA 3.50 (# 1651:25 Single Ambig)
&rst
ixpk= 1651, nxpk= 25, iat= -1, 764, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 799, 785,
&end
#
# 49 SER HN 48 ASP HA 4.50 (# 1652:25 Unique 3.58, 3.62 A)
&rst
ixpk= 1652, nxpk= 25, iat= 774, 764, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ASP HN 48 ASP HA 3.50 (# 1653:25 Unique 2.78, 2.81 A)
&rst
ixpk= 1653, nxpk= 25, iat= 762, 764, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ASP HN 48 ASP HB- 2.80 (# 1654:25 Unique 2.42, 2.50 A)
&rst
ixpk= 1654, nxpk= 25, iat= 762, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 766, 767,
&end
#
# 48 ASP HN 48 ASP HB+ 3.50 (# 1655:25 Unique 2.42, 2.50 A)
&rst
ixpk= 1655, nxpk= 25, iat= 762, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 766, 767,
&end
#
# 49 SER HN 48 ASP HB- 2.80 (# 1656:25 Unique 2.36, 3.34 A)
&rst
ixpk= 1656, nxpk= 25, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 766, 767,
&end
#
# 52 ASN HD2- 48 ASP HB- 5.50 (# 1657:25 Unique 4.40, 4.97 A)
&rst
ixpk= 1657, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 827, 828,
igr2= 766, 767,
&end
#
# 52 ASN HD2- 48 ASP HB+ 5.50 (# 1658:25 Unique 4.40, 4.97 A)
&rst
ixpk= 1658, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 827, 828,
igr2= 766, 767,
&end
#
# 48 ASP HA 48 ASP HB- 2.80 (# 1659:25 Unique 2.42, 2.73 A)
&rst
ixpk= 1659, nxpk= 25, iat= 764, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 766, 767,
&end
#
# 48 ASP HA 48 ASP HB+ 2.80 (# 1660:25 Unique 2.42, 2.73 A)
&rst
ixpk= 1660, nxpk= 25, iat= 764, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 766, 767,
&end
#
# 77 THR MG2 110 SER HA 4.50 (# 1661:25 Unique 3.48, 4.56 A)
&rst
ixpk= 1661, nxpk= 25, iat= -1,1667, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1190,1191,1192,
&end
#
# 52 ASN HB+ 49 SER HA 3.50 (# 1662:25 Unique 2.07, 3.09 A)
&rst
ixpk= 1662, nxpk= 25, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 822, 823,
&end
#
# 0 AMB 25-2:1666 49 SER HA 5.50 (# 1666:25 Single Ambig)
&rst
ixpk= 1666, nxpk= 25, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 827, 828, 841, 842,
&end
#
# 53 ASN HD2+ 49 SER HA 5.50 (# 1667:25 Unique 3.59, 6.19 A)
&rst
ixpk= 1667, nxpk= 25, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 841, 842,
&end
#
# 52 ASN HD2+ 49 SER HA 5.50 (# 1668:25 Unique 2.81, 3.80 A)
&rst
ixpk= 1668, nxpk= 25, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 112 ILE HN 110 SER HA 5.50 (# 1669:25 Unique 4.44, 4.52 A)
&rst
ixpk= 1669, nxpk= 25, iat=1693,1667, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 114 ALA HN 110 SER HA 5.50 (# 1670:25 Unique 3.84, 4.03 A)
&rst
ixpk= 1670, nxpk= 25, iat=1719,1667, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1671 0 AMB 25-1:1671 3.50 (# 1671:25 Double Ambig)
&rst
ixpk= 1671, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 818,1712,1676,
igr2= 776,1667,
&end
#
# 0 AMB 25-2:1672 49 SER HA 4.50 (# 1672:25 Single Ambig)
&rst
ixpk= 1672, nxpk= 25, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 785, 799,
&end
#
# 53 ASN HN 49 SER HA 4.50 (# 1673:25 Unique 3.21, 4.15 A)
&rst
ixpk= 1673, nxpk= 25, iat= 832, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 SER HN 49 SER HA 3.50 (# 1674:25 Unique 2.85, 2.87 A)
&rst
ixpk= 1674, nxpk= 25, iat= 774, 776, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 SER HN 110 SER HA 4.50 (# 1675:25 Unique 2.87, 2.88 A)
&rst
ixpk= 1675, nxpk= 25, iat=1665,1667, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 SER HN 49 SER HB+ 2.80 (# 1676:25 Unique 2.44, 3.07 A)
&rst
ixpk= 1676, nxpk= 25, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 778, 779,
&end
#
# 50 THR HN 49 SER HB+ 4.50 (# 1677:25 Unique 2.55, 3.29 A)
&rst
ixpk= 1677, nxpk= 25, iat= 785, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 778, 779,
&end
#
# 0 AMB 25-2:1682 0 AMB 25-1:1682 5.50 (# 1682:25 Double Ambig)
&rst
ixpk= 1682, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 822, 823, 766, 767,
igr2= 778, 779, 778, 779,
&end
#
# 50 THR MG2 50 THR HA 2.80 (# 1683:25 Unique 2.29, 3.08 A)
&rst
ixpk= 1683, nxpk= 25, iat= -1, 787, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 791, 792, 793,
&end
#
# 0 AMB 25-2:1685 50 THR HA 5.50 (# 1685:25 Single Ambig)
&rst
ixpk= 1685, nxpk= 25, iat= -1, 787, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1384,1385, 836, 837,
&end
#
# 55 PRO HA 50 THR HA 4.50 (# 1686:25 Unique 2.52, 3.98 A)
&rst
ixpk= 1686, nxpk= 25, iat= 863, 787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 TYR HN 50 THR HA 4.50 (# 1688:25 Unique 3.57, 4.16 A)
&rst
ixpk= 1688, nxpk= 25, iat= 867, 787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 TYR HD 50 THR HA 5.50 (# 1691:25 Unique 2.68, 5.72 A)
&rst
ixpk= 1691, nxpk= 25, iat= -1, 787, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 875, 884,
&end
#
# 54 GLY HN 50 THR HA 4.50 (# 1693:25 Unique 2.21, 2.94 A)
&rst
ixpk= 1693, nxpk= 25, iat= 846, 787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1694 50 THR HA 3.50 (# 1694:25 Single Ambig)
&rst
ixpk= 1694, nxpk= 25, iat= -1, 787, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 785, 799,
&end
#
# 0 AMB 25-2:1695 50 THR MG2 4.50 (# 1695:25 Single Ambig)
&rst
ixpk= 1695, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 799, 785,
igr2= 791, 792, 793,
&end
#
# 54 GLY HN 50 THR MG2 4.50 (# 1696:25 Unique 3.99, 5.13 A)
&rst
ixpk= 1696, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 791, 792, 793,
&end
#
# 90 PHE HD 50 THR MG2 4.50 (# 1699:25 Unique 2.10, 5.54 A)
&rst
ixpk= 1699, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1388,1396,
igr2= 791, 792, 793,
&end
#
# 56 TYR HN 50 THR MG2 4.50 (# 1705:25 Unique 3.20, 5.41 A)
&rst
ixpk= 1705, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 791, 792, 793,
&end
#
# 90 PHE HA 50 THR MG2 4.50 (# 1708:25 Unique 2.42, 3.46 A)
&rst
ixpk= 1708, nxpk= 25, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 791, 792, 793,
&end
#
# 47 LYS HA 50 THR MG2 5.50 (# 1709:25 Unique 3.74, 4.70 A)
&rst
ixpk= 1709, nxpk= 25, iat= 742, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 791, 792, 793,
&end
#
# 49 SER HB+ 50 THR MG2 5.50 (# 1710:25 Unique 5.70, 7.03 A)
&rst
ixpk= 1710, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 778, 779,
igr2= 791, 792, 793,
&end
#
# 50 THR HA 50 THR MG2 3.50 (# 1711:25 Unique 2.29, 3.08 A)
&rst
ixpk= 1711, nxpk= 25, iat= 787, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 791, 792, 793,
&end
#
# 55 PRO HA 50 THR MG2 4.50 (# 1712:25 Unique 2.19, 4.42 A)
&rst
ixpk= 1712, nxpk= 25, iat= 863, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 791, 792, 793,
&end
#
# 55 PRO HD+ 50 THR MG2 4.50 (# 1713:25 Unique 2.00, 5.24 A)
&rst
ixpk= 1713, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 854, 855,
igr2= 791, 792, 793,
&end
#
# 90 PHE HB+ 50 THR MG2 5.50 (# 1714:25 Unique 2.10, 5.41 A)
&rst
ixpk= 1714, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1384,1385,
igr2= 791, 792, 793,
&end
#
# 91 PRO HD+ 50 THR MG2 3.50 (# 1715:25 Unique 2.18, 3.46 A)
&rst
ixpk= 1715, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1401,1402,
igr2= 791, 792, 793,
&end
#
# 55 PRO HG+ 50 THR MG2 5.50 (# 1716:25 Unique 2.29, 6.35 A)
&rst
ixpk= 1716, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 857, 858,
igr2= 791, 792, 793,
&end
#
# 55 PRO HG- 50 THR MG2 5.50 (# 1717:25 Unique 2.29, 6.35 A)
&rst
ixpk= 1717, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 857, 858,
igr2= 791, 792, 793,
&end
#
# 0 AMB 25-2:1718 50 THR MG2 3.50 (# 1718:25 Single Ambig)
&rst
ixpk= 1718, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 320, 321, 860, 861,
igr2= 791, 792, 793,
&end
#
# 0 AMB 25-2:1719 50 THR MG2 4.50 (# 1719:25 Single Ambig)
&rst
ixpk= 1719, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 747, 748,1407,1408,
igr2= 791, 792, 793,
&end
#
# 91 PRO HG+ 50 THR MG2 5.50 (# 1720:25 Unique 2.48, 4.43 A)
&rst
ixpk= 1720, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1404,1405,
igr2= 791, 792, 793,
&end
#
# 25 ILE QD1 50 THR MG2 4.50 (# 1721:25 Unique 2.38, 4.93 A)
&rst
ixpk= 1721, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 395, 396, 397,
igr2= 791, 792, 793,
&end
#
# 46 ILE QG2 50 THR MG2 5.50 (# 1723:25 Unique 4.58, 6.86 A)
&rst
ixpk= 1723, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 727, 728, 729,
igr2= 791, 792, 793,
&end
#
# 0 AMB 25-2:1739 51 ILE HB 2.80 (# 1739:25 Single Ambig)
&rst
ixpk= 1739, nxpk= 25, iat= -1, 803, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 812, 813, 814, 805, 806, 807,
&end
#
# 51 ILE HG1- 51 ILE HB 3.50 (# 1740:25 Unique 2.51, 2.81 A)
&rst
ixpk= 1740, nxpk= 25, iat= -1, 803, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 809, 810,
&end
#
# 51 ILE HA 51 ILE HB 3.50 (# 1741:25 Unique 3.03, 3.04 A)
&rst
ixpk= 1741, nxpk= 25, iat= 801, 803, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ASP HA 51 ILE HB 3.50 (# 1742:25 Unique 2.29, 2.55 A)
&rst
ixpk= 1742, nxpk= 25, iat= 764, 803, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 ASN HN 51 ILE HB 2.80 (# 1744:25 Unique 2.44, 2.76 A)
&rst
ixpk= 1744, nxpk= 25, iat= 818, 803, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 ILE HN 51 ILE HB 2.80 (# 1745:25 Unique 2.20, 2.32 A)
&rst
ixpk= 1745, nxpk= 25, iat= 799, 803, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 ILE HN 51 ILE HG1- 4.50 (# 1746:25 Unique 2.31, 3.06 A)
&rst
ixpk= 1746, nxpk= 25, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 809, 810,
&end
#
# 51 ILE HA 51 ILE HG1- 2.80 (# 1748:25 Unique 2.51, 2.67 A)
&rst
ixpk= 1748, nxpk= 25, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 809, 810,
&end
#
# 0 AMB 25-2:1749 51 ILE HG1- 2.80 (# 1749:25 Single Ambig)
&rst
ixpk= 1749, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 812, 813, 814, 805, 806, 807,
igr2= 809, 810,
&end
#
# 51 ILE HG1- 51 ILE QD1 2.80 (# 1750:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 809, 810,
igr2= 812, 813, 814,
&end
#
# 0 AMB 25-2:1751 51 ILE QD1 2.80 (# 1751:25 Single Ambig)
&rst
ixpk= 1751, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 803, 744, 745,
igr2= 812, 813, 814,
&end
#
# 51 ILE HA 51 ILE QD1 4.50 (# 1752:25 Unique 4.52, 4.66 A)
&rst
ixpk= 1752, nxpk= 25, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 812, 813, 814,
&end
#
# 48 ASP HA 51 ILE QD1 3.50 (# 1753:25 Unique 2.21, 3.48 A)
&rst
ixpk= 1753, nxpk= 25, iat= 764, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 812, 813, 814,
&end
#
# 51 ILE HN 51 ILE QD1 4.50 (# 1757:25 Unique 3.41, 4.30 A)
&rst
ixpk= 1757, nxpk= 25, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 812, 813, 814,
&end
#
# 51 ILE HN 51 ILE QG2 4.50 (# 1758:25 Unique 4.22, 4.51 A)
&rst
ixpk= 1758, nxpk= 25, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 805, 806, 807,
&end
#
# 52 ASN HN 51 ILE QG2 4.50 (# 1759:25 Unique 3.39, 4.27 A)
&rst
ixpk= 1759, nxpk= 25, iat= 818, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 805, 806, 807,
&end
#
# 48 ASP HA 51 ILE QG2 4.50 (# 1760:25 Unique 4.11, 4.84 A)
&rst
ixpk= 1760, nxpk= 25, iat= 764, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 805, 806, 807,
&end
#
# 52 ASN HA 51 ILE QG2 4.50 (# 1761:25 Unique 3.21, 4.36 A)
&rst
ixpk= 1761, nxpk= 25, iat= 820, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 805, 806, 807,
&end
#
# 51 ILE HA 51 ILE QG2 2.80 (# 1762:25 Unique 2.66, 3.33 A)
&rst
ixpk= 1762, nxpk= 25, iat= 801, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 805, 806, 807,
&end
#
# 51 ILE HB 51 ILE QG2 2.80 (# 1763:25 Unique 2.44, 2.66 A)
&rst
ixpk= 1763, nxpk= 25, iat= 803, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 805, 806, 807,
&end
#
# 51 ILE HG1- 51 ILE QG2 2.80 (# 1764:25 Unique 2.47, 3.50 A)
&rst
ixpk= 1764, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 809, 810,
igr2= 805, 806, 807,
&end
#
# 51 ILE QG2 52 ASN HA 3.50 (# 1765:25 Unique 3.21, 4.36 A)
&rst
ixpk= 1765, nxpk= 25, iat= -1, 820, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 805, 806, 807,
&end
#
# 52 ASN HB+ 52 ASN HA 2.80 (# 1766:25 Unique 2.61, 2.87 A)
&rst
ixpk= 1766, nxpk= 25, iat= -1, 820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 822, 823,
&end
#
# 52 ASN HD2- 52 ASN HA 5.50 (# 1767:25 Unique 3.18, 3.63 A)
&rst
ixpk= 1767, nxpk= 25, iat= -1, 820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 52 ASN HD2+ 52 ASN HA 5.50 (# 1768:25 Unique 3.18, 3.63 A)
&rst
ixpk= 1768, nxpk= 25, iat= -1, 820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 52 ASN HN 52 ASN HA 3.50 (# 1769:25 Unique 2.79, 2.83 A)
&rst
ixpk= 1769, nxpk= 25, iat= 818, 820, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 ASN HN 52 ASN HA 4.50 (# 1770:25 Unique 3.50, 3.54 A)
&rst
ixpk= 1770, nxpk= 25, iat= 832, 820, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 ASN HN 52 ASN HB+ 3.50 (# 1771:25 Unique 2.68, 3.06 A)
&rst
ixpk= 1771, nxpk= 25, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 822, 823,
&end
#
# 0 AMB 25-2:1772 0 AMB 25-1:1772 4.50 (# 1772:25 Double Ambig)
&rst
ixpk= 1772, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 799, 785,
igr2= 822, 823, 822, 823,
&end
#
# 52 ASN HN 52 ASN HB+ 2.80 (# 1773:25 Unique 2.15, 2.86 A)
&rst
ixpk= 1773, nxpk= 25, iat= 818, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 822, 823,
&end
#
# 52 ASN HD2+ 52 ASN HB+ 3.50 (# 1774:25 Unique 2.39, 3.46 A)
&rst
ixpk= 1774, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 827, 828,
igr2= 822, 823,
&end
#
# 52 ASN HD2- 52 ASN HB+ 3.50 (# 1775:25 Unique 2.39, 3.46 A)
&rst
ixpk= 1775, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 827, 828,
igr2= 822, 823,
&end
#
# 52 ASN HA 52 ASN HB+ 2.80 (# 1776:25 Unique 2.61, 2.87 A)
&rst
ixpk= 1776, nxpk= 25, iat= 820, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 822, 823,
&end
#
# 49 SER HA 52 ASN HB+ 2.80 (# 1777:25 Unique 2.07, 3.09 A)
&rst
ixpk= 1777, nxpk= 25, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 822, 823,
&end
#
# 51 ILE HB 52 ASN HB+ 5.50 (# 1778:25 Unique 4.42, 5.35 A)
&rst
ixpk= 1778, nxpk= 25, iat= 803, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 822, 823,
&end
#
# 51 ILE QG2 52 ASN HB+ 4.50 (# 1779:25 Unique 4.97, 6.40 A)
&rst
ixpk= 1779, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 805, 806, 807,
igr2= 822, 823,
&end
#
# 53 ASN HB+ 53 ASN HA 2.80 (# 1780:25 Unique 2.21, 2.63 A)
&rst
ixpk= 1780, nxpk= 25, iat= -1, 834, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 836, 837,
&end
#
# 53 ASN HD2+ 53 ASN HA 5.50 (# 1781:25 Unique 4.13, 4.54 A)
&rst
ixpk= 1781, nxpk= 25, iat= -1, 834, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 841, 842,
&end
#
# 53 ASN HD2- 53 ASN HA 5.50 (# 1782:25 Unique 4.13, 4.54 A)
&rst
ixpk= 1782, nxpk= 25, iat= -1, 834, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 841, 842,
&end
#
# 54 GLY HN 53 ASN HA 4.50 (# 1783:25 Unique 3.44, 3.52 A)
&rst
ixpk= 1783, nxpk= 25, iat= 846, 834, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 ASN HN 53 ASN HA 3.50 (# 1784:25 Unique 2.97, 3.00 A)
&rst
ixpk= 1784, nxpk= 25, iat= 832, 834, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 ASN HN 53 ASN HB+ 3.50 (# 1785:25 Unique 2.38, 3.03 A)
&rst
ixpk= 1785, nxpk= 25, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 836, 837,
&end
#
# 53 ASN HN 53 ASN HB- 2.80 (# 1786:25 Unique 2.38, 3.03 A)
&rst
ixpk= 1786, nxpk= 25, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 836, 837,
&end
#
# 53 ASN HD2+ 53 ASN HB+ 3.50 (# 1787:25 Unique 2.19, 3.41 A)
&rst
ixpk= 1787, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 841, 842,
igr2= 836, 837,
&end
#
# 53 ASN HD2+ 53 ASN HB- 3.50 (# 1788:25 Unique 2.19, 3.41 A)
&rst
ixpk= 1788, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 841, 842,
igr2= 836, 837,
&end
#
# 53 ASN HD2- 53 ASN HB+ 4.50 (# 1789:25 Unique 2.19, 3.41 A)
&rst
ixpk= 1789, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 841, 842,
igr2= 836, 837,
&end
#
# 53 ASN HD2- 53 ASN HB- 5.50 (# 1790:25 Unique 2.19, 3.41 A)
&rst
ixpk= 1790, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 841, 842,
igr2= 836, 837,
&end
#
# 53 ASN HA 53 ASN HB+ 2.80 (# 1791:25 Unique 2.21, 2.63 A)
&rst
ixpk= 1791, nxpk= 25, iat= 834, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 836, 837,
&end
#
# 53 ASN HA 53 ASN HB- 2.80 (# 1792:25 Unique 2.21, 2.63 A)
&rst
ixpk= 1792, nxpk= 25, iat= 834, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 836, 837,
&end
#
# 50 THR MG2 54 GLY HA+ 5.50 (# 1793:25 Unique 2.17, 4.67 A)
&rst
ixpk= 1793, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 791, 792, 793,
igr2= 848, 849,
&end
#
# 50 THR MG2 54 GLY HA- 4.50 (# 1794:25 Unique 2.17, 4.67 A)
&rst
ixpk= 1794, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 791, 792, 793,
igr2= 848, 849,
&end
#
# 55 PRO HB+ 54 GLY HA+ 5.50 (# 1795:25 Unique 4.46, 5.59 A)
&rst
ixpk= 1795, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 860, 861,
igr2= 848, 849,
&end
#
# 91 PRO HB- 54 GLY HA+ 5.50 (# 1796:25 Unique 4.93, 6.47 A)
&rst
ixpk= 1796, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1407,1408,
igr2= 848, 849,
&end
#
# 55 PRO HG- 54 GLY HA+ 5.50 (# 1797:25 Unique 3.94, 4.85 A)
&rst
ixpk= 1797, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 857, 858,
igr2= 848, 849,
&end
#
# 55 PRO HG+ 54 GLY HA+ 5.50 (# 1798:25 Unique 3.94, 4.85 A)
&rst
ixpk= 1798, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 857, 858,
igr2= 848, 849,
&end
#
# 55 PRO HG+ 54 GLY HA- 5.50 (# 1799:25 Unique 3.94, 4.85 A)
&rst
ixpk= 1799, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 857, 858,
igr2= 848, 849,
&end
#
# 55 PRO HD+ 54 GLY HA+ 3.50 (# 1800:25 Unique 2.02, 2.81 A)
&rst
ixpk= 1800, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 854, 855,
igr2= 848, 849,
&end
#
# 55 PRO HD+ 54 GLY HA- 3.50 (# 1801:25 Unique 2.02, 2.81 A)
&rst
ixpk= 1801, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 854, 855,
igr2= 848, 849,
&end
#
# 55 PRO HD- 54 GLY HA+ 3.50 (# 1802:25 Unique 2.02, 2.81 A)
&rst
ixpk= 1802, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 854, 855,
igr2= 848, 849,
&end
#
# 55 PRO HD- 54 GLY HA- 3.50 (# 1803:25 Unique 2.02, 2.81 A)
&rst
ixpk= 1803, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 854, 855,
igr2= 848, 849,
&end
#
# 54 GLY HN 54 GLY HA+ 3.50 (# 1808:25 Unique 2.33, 2.70 A)
&rst
ixpk= 1808, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 848, 849,
&end
#
# 54 GLY HN 54 GLY HA- 3.50 (# 1809:25 Unique 2.33, 2.70 A)
&rst
ixpk= 1809, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 848, 849,
&end
#
# 56 TYR HN 55 PRO HA 2.80 (# 1815:25 Unique 2.00, 2.17 A)
&rst
ixpk= 1815, nxpk= 25, iat= 867, 863, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 57 TYR HN 55 PRO HA 4.50 (# 1816:25 Unique 3.59, 3.93 A)
&rst
ixpk= 1816, nxpk= 25, iat= 888, 863, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 PRO HG+ 55 PRO HA 4.50 (# 1817:25 Unique 2.32, 3.62 A)
&rst
ixpk= 1817, nxpk= 25, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 857, 858,
&end
#
# 55 PRO HB+ 55 PRO HA 2.80 (# 1819:25 Unique 2.26, 2.63 A)
&rst
ixpk= 1819, nxpk= 25, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 860, 861,
&end
#
# 50 THR MG2 55 PRO HA 4.50 (# 1820:25 Unique 2.19, 4.42 A)
&rst
ixpk= 1820, nxpk= 25, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 791, 792, 793,
&end
#
# 58 ILE QD1 55 PRO HB+ 2.80 (# 1821:25 Unique 2.26, 3.86 A)
&rst
ixpk= 1821, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 922, 923, 924,
igr2= 860, 861,
&end
#
# 55 PRO HG- 55 PRO HB+ 2.80 (# 1823:25 Unique 2.26, 2.63 A)
&rst
ixpk= 1823, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 857, 858,
igr2= 860, 861,
&end
#
# 55 PRO HD+ 55 PRO HB+ 4.50 (# 1824:25 Unique 2.56, 3.70 A)
&rst
ixpk= 1824, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 854, 855,
igr2= 860, 861,
&end
#
# 55 PRO HA 55 PRO HB+ 2.80 (# 1826:25 Unique 2.26, 2.63 A)
&rst
ixpk= 1826, nxpk= 25, iat= 863, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 860, 861,
&end
#
# 57 TYR HN 55 PRO HB+ 5.50 (# 1827:25 Unique 2.78, 4.21 A)
&rst
ixpk= 1827, nxpk= 25, iat= 888, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 860, 861,
&end
#
# 56 TYR HN 55 PRO HB+ 4.50 (# 1828:25 Unique 2.93, 3.94 A)
&rst
ixpk= 1828, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 860, 861,
&end
#
# 90 PHE HD 55 PRO HB+ 4.50 (# 1829:25 Unique 2.61, 4.71 A)
&rst
ixpk= 1829, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1388,1396,
igr2= 860, 861,
&end
#
# 55 PRO HD- 55 PRO HG+ 2.80 (# 1831:25 Unique 2.26, 2.60 A)
&rst
ixpk= 1831, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 854, 855,
igr2= 857, 858,
&end
#
# 55 PRO HD- 55 PRO HG- 3.50 (# 1832:25 Unique 2.26, 2.60 A)
&rst
ixpk= 1832, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 854, 855,
igr2= 857, 858,
&end
#
# 55 PRO HD+ 55 PRO HG+ 3.50 (# 1833:25 Unique 2.26, 2.60 A)
&rst
ixpk= 1833, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 854, 855,
igr2= 857, 858,
&end
#
# 55 PRO HD+ 55 PRO HG- 2.80 (# 1834:25 Unique 2.26, 2.60 A)
&rst
ixpk= 1834, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 854, 855,
igr2= 857, 858,
&end
#
# 0 AMB 25-2:1835 0 AMB 25-1:1835 2.80 (# 1835:25 Double Ambig)
&rst
ixpk= 1835, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1508,1509, 551, 552,
igr2=1505,1506, 548, 549,
&end
#
# 100 LEU MDY 66 PRO HD- 4.50 (# 1839:25 Unique 2.16, 5.22 A)
&rst
ixpk= 1839, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1545,1546,1547,1549,1550,1551,
igr2=1022,1023,
&end
#
# 0 AMB 25-2:1840 66 PRO HD- 4.50 (# 1840:25 Single Ambig)
&rst
ixpk= 1840, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 727, 728, 729, 937, 938, 939, 941, 942, 943, 388,
389, 390,
igr2=1022,1023,
&end
#
# 64 ALA MB 66 PRO HD- 4.50 (# 1841:25 Unique 2.53, 4.41 A)
&rst
ixpk= 1841, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 998, 999,1000,
igr2=1022,1023,
&end
#
# 100 LEU HB- 66 PRO HD- 4.50 (# 1842:25 Unique 2.26, 3.50 A)
&rst
ixpk= 1842, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1540,1541,
igr2=1022,1023,
&end
#
# 0 AMB 25-2:1843 0 AMB 25-1:1843 3.50 (# 1843:25 Double Ambig)
&rst
ixpk= 1843, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1025,1026, 860, 861,
igr2=1022,1023, 854, 855,
&end
#
# 0 AMB 25-2:1844 0 AMB 25-1:1844 5.50 (# 1844:25 Double Ambig)
&rst
ixpk= 1844, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1486,1487,1407,1408,
igr2= 854, 855, 854, 855,
&end
#
# 0 AMB 25-2:1845 0 AMB 25-1:1845 3.50 (# 1845:25 Double Ambig)
&rst
ixpk= 1845, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 857, 858,1540,1541,1028,1029,
igr2= 854, 855,1022,1023,
&end
#
# 55 PRO HG+ 55 PRO HD+ 3.50 (# 1846:25 Unique 2.26, 2.60 A)
&rst
ixpk= 1846, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 857, 858,
igr2= 854, 855,
&end
#
# 0 AMB 25-2:1847 66 PRO HD- 5.50 (# 1847:25 Single Ambig)
&rst
ixpk= 1847, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1011,1012,1008,1009,
igr2=1022,1023,
&end
#
# 54 GLY HA+ 55 PRO HD+ 3.50 (# 1849:25 Unique 2.02, 2.81 A)
&rst
ixpk= 1849, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 848, 849,
igr2= 854, 855,
&end
#
# 54 GLY HN 55 PRO HD+ 5.50 (# 1851:25 Unique 4.50, 4.89 A)
&rst
ixpk= 1851, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 854, 855,
&end
#
# 56 TYR HB- 56 TYR HA 2.80 (# 1858:25 Unique 2.17, 2.59 A)
&rst
ixpk= 1858, nxpk= 25, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 871, 872,
&end
#
# 57 TYR HN 56 TYR HB+ 5.50 (# 1865:25 Unique 2.80, 3.89 A)
&rst
ixpk= 1865, nxpk= 25, iat= 888, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 871, 872,
&end
#
# 57 TYR HN 56 TYR HB- 5.50 (# 1866:25 Unique 2.80, 3.89 A)
&rst
ixpk= 1866, nxpk= 25, iat= 888, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 871, 872,
&end
#
# 56 TYR HN 56 TYR HB+ 4.50 (# 1867:25 Unique 2.04, 2.97 A)
&rst
ixpk= 1867, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 871, 872,
&end
#
# 56 TYR HN 56 TYR HB- 4.50 (# 1869:25 Unique 2.04, 2.97 A)
&rst
ixpk= 1869, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 871, 872,
&end
#
# 56 TYR HD 56 TYR HB+ 3.50 (# 1871:25 Unique 2.28, 3.08 A)
&rst
ixpk= 1871, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 875, 884,
igr2= 871, 872,
&end
#
# 56 TYR HD 56 TYR HB- 3.50 (# 1874:25 Unique 2.28, 3.08 A)
&rst
ixpk= 1874, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 875, 884,
igr2= 871, 872,
&end
#
# 58 ILE HN 57 TYR HA 4.50 (# 1876:25 Unique 2.13, 2.22 A)
&rst
ixpk= 1876, nxpk= 25, iat= 909, 890, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 TYR HN 57 TYR HA 4.50 (# 1878:25 Unique 2.87, 2.92 A)
&rst
ixpk= 1878, nxpk= 25, iat= 888, 890, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 TYR HB+ 57 TYR HA 4.50 (# 1879:25 Unique 2.51, 2.83 A)
&rst
ixpk= 1879, nxpk= 25, iat= -1, 890, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 892, 893,
&end
#
# 57 TYR HB- 57 TYR HA 3.50 (# 1880:25 Unique 2.51, 2.83 A)
&rst
ixpk= 1880, nxpk= 25, iat= -1, 890, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 892, 893,
&end
#
# 59 LEU MDX 57 TYR HA 5.50 (# 1881:25 Unique 4.42, 6.40 A)
&rst
ixpk= 1881, nxpk= 25, iat= -1, 890, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 64 ALA MB 57 TYR HB+ 5.50 (# 1882:25 Unique 3.68, 6.14 A)
&rst
ixpk= 1882, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 998, 999,1000,
igr2= 892, 893,
&end
#
# 65 MET HB- 57 TYR HB+ 5.50 (# 1883:25 Unique 2.31, 4.91 A)
&rst
ixpk= 1883, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1008,1009,
igr2= 892, 893,
&end
#
# 65 MET ME 57 TYR HB+ 5.50 (# 1884:25 Unique 3.29, 6.60 A)
&rst
ixpk= 1884, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1015,1016,1017,
igr2= 892, 893,
&end
#
# 65 MET HB+ 57 TYR HB+ 4.50 (# 1886:25 Unique 2.31, 4.91 A)
&rst
ixpk= 1886, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1008,1009,
igr2= 892, 893,
&end
#
# 66 PRO HA 57 TYR HB+ 5.50 (# 1887:25 Unique 2.40, 3.51 A)
&rst
ixpk= 1887, nxpk= 25, iat=1031, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 892, 893,
&end
#
# 57 TYR HA 57 TYR HB+ 3.50 (# 1890:25 Unique 2.51, 2.83 A)
&rst
ixpk= 1890, nxpk= 25, iat= 890, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 892, 893,
&end
#
# 64 ALA HA 57 TYR HB+ 5.50 (# 1891:25 Unique 3.92, 5.46 A)
&rst
ixpk= 1891, nxpk= 25, iat= 996, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 892, 893,
&end
#
# 57 TYR HN 57 TYR HB+ 5.50 (# 1892:25 Unique 2.66, 3.17 A)
&rst
ixpk= 1892, nxpk= 25, iat= 888, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 892, 893,
&end
#
# 58 ILE HN 57 TYR HB+ 5.50 (# 1896:25 Unique 2.84, 4.07 A)
&rst
ixpk= 1896, nxpk= 25, iat= 909, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 892, 893,
&end
#
# 65 MET HN 57 TYR HB+ 4.50 (# 1897:25 Unique 2.37, 3.70 A)
&rst
ixpk= 1897, nxpk= 25, iat=1004, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 892, 893,
&end
#
# 57 TYR HN 57 TYR HB- 5.50 (# 1900:25 Unique 2.66, 3.17 A)
&rst
ixpk= 1900, nxpk= 25, iat= 888, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 892, 893,
&end
#
# 57 TYR HA 57 TYR HB- 3.50 (# 1902:25 Unique 2.51, 2.83 A)
&rst
ixpk= 1902, nxpk= 25, iat= 890, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 892, 893,
&end
#
# 58 ILE QD1 58 ILE HA 3.50 (# 1904:25 Unique 2.19, 3.19 A)
&rst
ixpk= 1904, nxpk= 25, iat= -1, 911, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 922, 923, 924,
&end
#
# 58 ILE QG2 58 ILE HA 2.80 (# 1905:25 Unique 2.54, 3.26 A)
&rst
ixpk= 1905, nxpk= 25, iat= -1, 911, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 915, 916, 917,
&end
#
# 59 LEU MDY 58 ILE HA 3.50 (# 1906:25 Unique 2.63, 4.83 A)
&rst
ixpk= 1906, nxpk= 25, iat= -1, 911, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 64 ALA MB 58 ILE HA 3.50 (# 1907:25 Unique 2.94, 3.97 A)
&rst
ixpk= 1907, nxpk= 25, iat= -1, 911, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 998, 999,1000,
&end
#
# 58 ILE HG1- 58 ILE HA 4.50 (# 1908:25 Unique 2.99, 3.50 A)
&rst
ixpk= 1908, nxpk= 25, iat= -1, 911, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 919, 920,
&end
#
# 58 ILE HB 58 ILE HA 4.50 (# 1909:25 Unique 3.04, 3.05 A)
&rst
ixpk= 1909, nxpk= 25, iat= 913, 911, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 ALA HA 58 ILE HA 2.80 (# 1910:25 Unique 1.98, 2.09 A)
&rst
ixpk= 1910, nxpk= 25, iat= 996, 911, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 MET HN 58 ILE HA 4.50 (# 1911:25 Unique 3.24, 3.57 A)
&rst
ixpk= 1911, nxpk= 25, iat=1004, 911, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 LEU HN 58 ILE HA 2.80 (# 1912:25 Unique 2.24, 2.30 A)
&rst
ixpk= 1912, nxpk= 25, iat= 928, 911, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 ILE HN 58 ILE HB 2.80 (# 1913:25 Unique 2.69, 2.78 A)
&rst
ixpk= 1913, nxpk= 25, iat= 909, 913, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 57 TYR HN 58 ILE HB 5.50 (# 1914:25 Unique 4.72, 5.18 A)
&rst
ixpk= 1914, nxpk= 25, iat= 888, 913, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 ILE HA 58 ILE HB 3.50 (# 1915:25 Unique 3.04, 3.05 A)
&rst
ixpk= 1915, nxpk= 25, iat= 911, 913, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 ILE HG1- 58 ILE HB 2.80 (# 1916:25 Unique 2.33, 2.42 A)
&rst
ixpk= 1916, nxpk= 25, iat= -1, 913, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 919, 920,
&end
#
# 58 ILE QG2 58 ILE HB 2.80 (# 1917:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1917, nxpk= 25, iat= -1, 913, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 915, 916, 917,
&end
#
# 0 AMB 25-2:1918 63 VAL HB 2.80 (# 1918:25 Single Ambig)
&rst
ixpk= 1918, nxpk= 25, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 984, 985, 986, 988, 989, 990,1942,1943,1944,1946,
1947,1948,1942,1943,1944,1946,1947,1948,
&end
#
# 58 ILE QD1 58 ILE HB 3.50 (# 1919:25 Unique 3.76, 3.99 A)
&rst
ixpk= 1919, nxpk= 25, iat= -1, 913, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 922, 923, 924,
&end
#
# 144 ILE QD1 144 ILE HG1- 2.80 (# 1920:25 Unique 2.25, 2.64 A)
&rst
ixpk= 1920, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2195,2196,2197,
igr2=2192,2193,
&end
#
# 58 ILE QD1 58 ILE HG1- 3.50 (# 1921:25 Unique 2.29, 2.66 A)
&rst
ixpk= 1921, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 922, 923, 924,
igr2= 919, 920,
&end
#
# 58 ILE HB 58 ILE HG1- 2.80 (# 1922:25 Unique 2.33, 2.42 A)
&rst
ixpk= 1922, nxpk= 25, iat= 913, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 919, 920,
&end
#
# 0 AMB 25-2:1923 144 ILE HG1- 3.50 (# 1923:25 Single Ambig)
&rst
ixpk= 1923, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2143,2184,
igr2=2192,2193,
&end
#
# 58 ILE HA 58 ILE HG1- 4.50 (# 1924:25 Unique 2.99, 3.50 A)
&rst
ixpk= 1924, nxpk= 25, iat= 911, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 919, 920,
&end
#
# 144 ILE HN 144 ILE HG1- 3.50 (# 1925:25 Unique 2.21, 3.10 A)
&rst
ixpk= 1925, nxpk= 25, iat=2182, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2192,2193,
&end
#
# 58 ILE HN 58 ILE HG1- 4.50 (# 1926:25 Unique 3.13, 3.94 A)
&rst
ixpk= 1926, nxpk= 25, iat= 909, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 919, 920,
&end
#
# 0 AMB 25-2:1927 58 ILE QD1 5.50 (# 1927:25 Single Ambig)
&rst
ixpk= 1927, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 971, 994,
igr2= 922, 923, 924,
&end
#
# 65 MET HN 58 ILE QD1 5.50 (# 1928:25 Unique 3.85, 5.21 A)
&rst
ixpk= 1928, nxpk= 25, iat=1004, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 922, 923, 924,
&end
#
# 59 LEU HN 58 ILE QD1 4.50 (# 1930:25 Unique 3.86, 4.82 A)
&rst
ixpk= 1930, nxpk= 25, iat= 928, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 922, 923, 924,
&end
#
# 90 PHE HD 58 ILE QD1 5.50 (# 1932:25 Unique 2.16, 5.19 A)
&rst
ixpk= 1932, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1388,1396,
igr2= 922, 923, 924,
&end
#
# 56 TYR HN 58 ILE QD1 5.50 (# 1933:25 Unique 4.25, 6.08 A)
&rst
ixpk= 1933, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 922, 923, 924,
&end
#
# 57 TYR HN 58 ILE QD1 5.50 (# 1934:25 Unique 3.66, 4.81 A)
&rst
ixpk= 1934, nxpk= 25, iat= 888, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 922, 923, 924,
&end
#
# 64 ALA HA 58 ILE QD1 4.50 (# 1935:25 Unique 2.53, 3.93 A)
&rst
ixpk= 1935, nxpk= 25, iat= 996, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 922, 923, 924,
&end
#
# 58 ILE HA 58 ILE QD1 3.50 (# 1938:25 Unique 2.19, 3.19 A)
&rst
ixpk= 1938, nxpk= 25, iat= 911, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 922, 923, 924,
&end
#
# 55 PRO HA 58 ILE QD1 5.50 (# 1939:25 Unique 3.65, 5.38 A)
&rst
ixpk= 1939, nxpk= 25, iat= 863, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 922, 923, 924,
&end
#
# 55 PRO HD+ 58 ILE QD1 5.50 (# 1940:25 Unique 4.30, 6.77 A)
&rst
ixpk= 1940, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 854, 855,
igr2= 922, 923, 924,
&end
#
# 90 PHE HB+ 58 ILE QD1 4.50 (# 1941:25 Unique 3.00, 5.18 A)
&rst
ixpk= 1941, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1384,1385,
igr2= 922, 923, 924,
&end
#
# 93 ASN HB- 58 ILE QD1 4.50 (# 1942:25 Unique 3.37, 5.39 A)
&rst
ixpk= 1942, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1425,1426,
igr2= 922, 923, 924,
&end
#
# 0 AMB 25-2:1943 58 ILE QD1 3.50 (# 1943:25 Single Ambig)
&rst
ixpk= 1943, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1384,1385,1425,1426,
igr2= 922, 923, 924,
&end
#
# 55 PRO HG+ 58 ILE QD1 4.50 (# 1944:25 Unique 2.82, 5.20 A)
&rst
ixpk= 1944, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 857, 858,
igr2= 922, 923, 924,
&end
#
# 58 ILE HB 58 ILE QD1 3.50 (# 1945:25 Unique 3.76, 3.99 A)
&rst
ixpk= 1945, nxpk= 25, iat= 913, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 922, 923, 924,
&end
#
# 55 PRO HG- 58 ILE QD1 4.50 (# 1946:25 Unique 2.82, 5.20 A)
&rst
ixpk= 1946, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 857, 858,
igr2= 922, 923, 924,
&end
#
# 97 ILE HG1- 58 ILE QD1 4.50 (# 1947:25 Unique 2.81, 4.03 A)
&rst
ixpk= 1947, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1486,1487,
igr2= 922, 923, 924,
&end
#
# 55 PRO HB+ 58 ILE QD1 3.50 (# 1948:25 Unique 2.26, 3.86 A)
&rst
ixpk= 1948, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 860, 861,
igr2= 922, 923, 924,
&end
#
# 58 ILE HG1- 58 ILE QD1 3.50 (# 1949:25 Unique 2.29, 2.66 A)
&rst
ixpk= 1949, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 919, 920,
igr2= 922, 923, 924,
&end
#
# 64 ALA MB 58 ILE QD1 3.50 (# 1950:25 Unique 2.23, 3.83 A)
&rst
ixpk= 1950, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 998, 999,1000,
igr2= 922, 923, 924,
&end
#
# 59 LEU MDY 58 ILE QD1 4.50 (# 1951:25 Unique 4.50, 7.81 A)
&rst
ixpk= 1951, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 922, 923, 924,
&end
#
# 0 AMB 25-2:1952 58 ILE QD1 2.80 (# 1952:25 Single Ambig)
&rst
ixpk= 1952, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 915, 916, 917,1486,1487,
igr2= 922, 923, 924,
&end
#
# 97 ILE QD1 58 ILE QD1 3.50 (# 1953:25 Unique 2.23, 3.80 A)
&rst
ixpk= 1953, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1489,1490,1491,
igr2= 922, 923, 924,
&end
#
# 58 ILE QD1 58 ILE QG2 2.80 (# 1954:25 Unique 2.25, 3.70 A)
&rst
ixpk= 1954, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 922, 923, 924,
igr2= 915, 916, 917,
&end
#
# 58 ILE HG1- 58 ILE QG2 2.80 (# 1955:25 Unique 2.35, 3.52 A)
&rst
ixpk= 1955, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 919, 920,
igr2= 915, 916, 917,
&end
#
# 58 ILE HB 58 ILE QG2 2.80 (# 1956:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1956, nxpk= 25, iat= 913, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 915, 916, 917,
&end
#
# 0 AMB 25-2:1957 58 ILE QG2 2.80 (# 1957:25 Single Ambig)
&rst
ixpk= 1957, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 911, 967,
igr2= 915, 916, 917,
&end
#
# 93 ASN HD2+ 58 ILE QG2 4.50 (# 1958:25 Unique 2.74, 4.82 A)
&rst
ixpk= 1958, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1430,1431,
igr2= 915, 916, 917,
&end
#
# 60 ALA HN 58 ILE QG2 2.80 (# 1959:25 Unique 2.78, 3.51 A)
&rst
ixpk= 1959, nxpk= 25, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 915, 916, 917,
&end
#
# 63 VAL HN 58 ILE QG2 4.50 (# 1960:25 Unique 3.42, 4.56 A)
&rst
ixpk= 1960, nxpk= 25, iat= 978, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 915, 916, 917,
&end
#
# 0 AMB 25-2:1961 59 LEU HA 2.80 (# 1961:25 Single Ambig)
&rst
ixpk= 1961, nxpk= 25, iat= -1, 930, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 928, 947,
&end
#
# 59 LEU MDX 59 LEU HA 2.80 (# 1962:25 Unique 2.27, 3.68 A)
&rst
ixpk= 1962, nxpk= 25, iat= -1, 930, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 25-2:1963 0 AMB 25-1:1963 2.80 (# 1963:25 Double Ambig)
&rst
ixpk= 1963, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 937, 938, 939, 941, 942, 943, 984, 985, 986, 988,
989, 990,
igr2= 932, 933, 932, 933,
&end
#
# 0 AMB 25-2:1964 0 AMB 25-1:1964 2.80 (# 1964:25 Double Ambig)
&rst
ixpk= 1964, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 937, 938, 939, 941, 942, 943, 984, 985, 986, 988,
989, 990,
igr2= 932, 933, 932, 933,
&end
#
# 0 AMB 25-2:1965 59 LEU HB- 2.80 (# 1965:25 Single Ambig)
&rst
ixpk= 1965, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 937, 938, 939, 941, 942, 943, 984, 985, 986, 988,
989, 990,
igr2= 932, 933,
&end
#
# 0 AMB 25-2:1966 59 LEU HB- 2.80 (# 1966:25 Single Ambig)
&rst
ixpk= 1966, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 937, 938, 939, 941, 942, 943, 984, 985, 986, 988,
989, 990,
igr2= 932, 933,
&end
#
# 63 VAL HB 59 LEU HB+ 4.50 (# 1967:25 Unique 2.42, 3.76 A)
&rst
ixpk= 1967, nxpk= 25, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 932, 933,
&end
#
# 63 VAL HB 59 LEU HB- 4.50 (# 1968:25 Unique 2.42, 3.76 A)
&rst
ixpk= 1968, nxpk= 25, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 932, 933,
&end
#
# 59 LEU HA 59 LEU HB+ 3.50 (# 1969:25 Unique 2.42, 2.76 A)
&rst
ixpk= 1969, nxpk= 25, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 932, 933,
&end
#
# 59 LEU HA 59 LEU HB- 3.50 (# 1970:25 Unique 2.42, 2.76 A)
&rst
ixpk= 1970, nxpk= 25, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 932, 933,
&end
#
# 64 ALA HA 59 LEU HB+ 5.50 (# 1971:25 Unique 3.30, 5.07 A)
&rst
ixpk= 1971, nxpk= 25, iat= 996, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 932, 933,
&end
#
# 64 ALA HA 59 LEU HB- 5.50 (# 1972:25 Unique 3.30, 5.07 A)
&rst
ixpk= 1972, nxpk= 25, iat= 996, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 932, 933,
&end
#
# 0 AMB 25-2:1973 0 AMB 25-1:1973 3.50 (# 1973:25 Double Ambig)
&rst
ixpk= 1973, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 928, 947,
igr2= 932, 933, 932, 933,
&end
#
# 0 AMB 25-2:1974 59 LEU HB- 3.50 (# 1974:25 Single Ambig)
&rst
ixpk= 1974, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 928, 947,
igr2= 932, 933,
&end
#
# 0 AMB 25-2:1975 0 AMB 25-1:1975 4.50 (# 1975:25 Double Ambig)
&rst
ixpk= 1975, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1449, 211,
igr2=1466,1467,2129,
&end
#
# 121 LEU HA 121 LEU HG 3.50 (# 1976:25 Unique 3.35, 3.40 A)
&rst
ixpk= 1976, nxpk= 25, iat=1822,1827, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 LEU HB- 59 LEU MDX 2.80 (# 1978:25 Unique 2.25, 3.48 A)
&rst
ixpk= 1978, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 932, 933,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 59 LEU HB+ 59 LEU MDX 2.80 (# 1979:25 Unique 2.25, 3.48 A)
&rst
ixpk= 1979, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 932, 933,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 65 MET HB- 59 LEU MDX 2.80 (# 1980:25 Unique 2.08, 3.97 A)
&rst
ixpk= 1980, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1008,1009,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 65 MET HB+ 59 LEU MDX 4.50 (# 1981:25 Unique 2.08, 3.97 A)
&rst
ixpk= 1981, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1008,1009,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 59 LEU HA 59 LEU MDX 2.80 (# 1982:25 Unique 2.27, 3.68 A)
&rst
ixpk= 1982, nxpk= 25, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 60 ALA HN 59 LEU MDY 4.50 (# 1984:25 Unique 4.00, 5.43 A)
&rst
ixpk= 1984, nxpk= 25, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 59 LEU HA 59 LEU MDY 3.50 (# 1985:25 Unique 2.27, 3.68 A)
&rst
ixpk= 1985, nxpk= 25, iat= 930, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 65 MET HB+ 59 LEU MDY 3.50 (# 1986:25 Unique 2.08, 3.97 A)
&rst
ixpk= 1986, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1008,1009,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 115 ILE QD1 59 LEU MDY 5.50 (# 1987:25 Unique 4.98, 7.34 A)
&rst
ixpk= 1987, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1742,1743,1744,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 60 ALA HN 60 ALA HA 3.50 (# 1988:25 Unique 2.86, 2.88 A)
&rst
ixpk= 1988, nxpk= 25, iat= 947, 949, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 PRO HD+ 60 ALA HA 2.80 (# 1989:25 Unique 2.21, 2.60 A)
&rst
ixpk= 1989, nxpk= 25, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 958, 959,
&end
#
# 61 PRO HD- 60 ALA HA 2.80 (# 1990:25 Unique 2.21, 2.60 A)
&rst
ixpk= 1990, nxpk= 25, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 958, 959,
&end
#
# 0 AMB 25-2:1991 60 ALA HA 4.50 (# 1991:25 Single Ambig)
&rst
ixpk= 1991, nxpk= 25, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 961, 962, 964, 965,
&end
#
# 0 AMB 25-2:1992 60 ALA HA 4.50 (# 1992:25 Single Ambig)
&rst
ixpk= 1992, nxpk= 25, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 982, 961, 962, 964, 965,
&end
#
# 60 ALA MB 60 ALA HA 2.80 (# 1993:25 Unique 2.47, 2.69 A)
&rst
ixpk= 1993, nxpk= 25, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 951, 952, 953,
&end
#
# 58 ILE QG2 60 ALA HA 4.50 (# 1995:25 Unique 3.65, 4.72 A)
&rst
ixpk= 1995, nxpk= 25, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 915, 916, 917,
&end
#
# 63 VAL HB 60 ALA MB 2.80 (# 1996:25 Unique 2.18, 3.32 A)
&rst
ixpk= 1996, nxpk= 25, iat= 982, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 951, 952, 953,
&end
#
# 61 PRO HD- 60 ALA MB 2.80 (# 1997:25 Unique 2.14, 3.73 A)
&rst
ixpk= 1997, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 958, 959,
igr2= 951, 952, 953,
&end
#
# 61 PRO HD+ 60 ALA MB 2.80 (# 1998:25 Unique 2.14, 3.73 A)
&rst
ixpk= 1998, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 958, 959,
igr2= 951, 952, 953,
&end
#
# 60 ALA HA 60 ALA MB 2.80 (# 1999:25 Unique 2.47, 2.69 A)
&rst
ixpk= 1999, nxpk= 25, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 951, 952, 953,
&end
#
# 0 AMB 25-2:2000 60 ALA MB 4.50 (# 2000:25 Single Ambig)
&rst
ixpk= 2000, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 930, 967,
igr2= 951, 952, 953,
&end
#
# 60 ALA HN 60 ALA MB 3.50 (# 2001:25 Unique 2.91, 3.46 A)
&rst
ixpk= 2001, nxpk= 25, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 951, 952, 953,
&end
#
# 63 VAL HN 60 ALA MB 4.50 (# 2002:25 Unique 3.65, 4.69 A)
&rst
ixpk= 2002, nxpk= 25, iat= 978, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 951, 952, 953,
&end
#
# 62 GLY HN 61 PRO HA 2.80 (# 2003:25 Unique 2.15, 2.19 A)
&rst
ixpk= 2003, nxpk= 25, iat= 971, 967, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 63 VAL HN 61 PRO HA 4.50 (# 2004:25 Unique 3.42, 3.65 A)
&rst
ixpk= 2004, nxpk= 25, iat= 978, 967, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2005 61 PRO HA 5.50 (# 2005:25 Single Ambig)
&rst
ixpk= 2005, nxpk= 25, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1447, 947,
&end
#
# 61 PRO HD+ 61 PRO HA 4.50 (# 2006:25 Unique 3.33, 3.74 A)
&rst
ixpk= 2006, nxpk= 25, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 958, 959,
&end
#
# 61 PRO HD- 61 PRO HA 4.50 (# 2007:25 Unique 3.33, 3.74 A)
&rst
ixpk= 2007, nxpk= 25, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 958, 959,
&end
#
# 0 AMB 25-2:2008 61 PRO HA 2.80 (# 2008:25 Single Ambig)
&rst
ixpk= 2008, nxpk= 25, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 964, 965, 961, 962,
&end
#
# 0 AMB 25-2:2009 61 PRO HA 3.50 (# 2009:25 Single Ambig)
&rst
ixpk= 2009, nxpk= 25, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 964, 965, 961, 962,
&end
#
# 60 ALA MB 61 PRO HA 5.50 (# 2010:25 Unique 5.01, 5.52 A)
&rst
ixpk= 2010, nxpk= 25, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 951, 952, 953,
&end
#
# 63 VAL MGX 61 PRO HA 5.50 (# 2011:25 Unique 4.86, 7.22 A)
&rst
ixpk= 2011, nxpk= 25, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 984, 985, 986, 988, 989, 990,
&end
#
# 58 ILE QG2 61 PRO HA 4.50 (# 2012:25 Unique 3.61, 4.38 A)
&rst
ixpk= 2012, nxpk= 25, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 915, 916, 917,
&end
#
# 97 ILE QD1 61 PRO HA 5.50 (# 2013:25 Unique 3.97, 4.68 A)
&rst
ixpk= 2013, nxpk= 25, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1489,1490,1491,
&end
#
# 61 PRO HD- 61 PRO HB+ 4.50 (# 2014:25 Unique 2.80, 3.68 A)
&rst
ixpk= 2014, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 958, 959,
igr2= 964, 965,
&end
#
# 61 PRO HD+ 61 PRO HB+ 4.50 (# 2015:25 Unique 2.80, 3.68 A)
&rst
ixpk= 2015, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 958, 959,
igr2= 964, 965,
&end
#
# 61 PRO HA 61 PRO HB+ 3.50 (# 2016:25 Unique 2.27, 2.63 A)
&rst
ixpk= 2016, nxpk= 25, iat= 967, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 964, 965,
&end
#
# 62 GLY HN 61 PRO HB+ 4.50 (# 2017:25 Unique 3.58, 3.96 A)
&rst
ixpk= 2017, nxpk= 25, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 964, 965,
&end
#
# 61 PRO HD- 61 PRO HG- 3.50 (# 2019:25 Unique 2.33, 2.61 A)
&rst
ixpk= 2019, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 958, 959,
igr2= 961, 962,
&end
#
# 61 PRO HA 61 PRO HG- 4.50 (# 2021:25 Unique 2.81, 3.60 A)
&rst
ixpk= 2021, nxpk= 25, iat= 967, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 961, 962,
&end
#
# 60 ALA HA 61 PRO HG- 5.50 (# 2022:25 Unique 4.38, 4.66 A)
&rst
ixpk= 2022, nxpk= 25, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 961, 962,
&end
#
# 60 ALA HN 61 PRO HD+ 4.50 (# 2023:25 Unique 4.57, 4.85 A)
&rst
ixpk= 2023, nxpk= 25, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 958, 959,
&end
#
# 60 ALA HN 61 PRO HD+ 5.50 (# 2024:25 Unique 4.57, 4.85 A)
&rst
ixpk= 2024, nxpk= 25, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 958, 959,
&end
#
# 60 ALA HN 61 PRO HD+ 5.50 (# 2025:25 Unique 4.57, 4.85 A)
&rst
ixpk= 2025, nxpk= 25, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 958, 959,
&end
#
# 60 ALA HA 61 PRO HD+ 2.80 (# 2026:25 Unique 2.21, 2.60 A)
&rst
ixpk= 2026, nxpk= 25, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 958, 959,
&end
#
# 61 PRO HA 61 PRO HD+ 3.50 (# 2027:25 Unique 3.33, 3.74 A)
&rst
ixpk= 2027, nxpk= 25, iat= 967, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 958, 959,
&end
#
# 0 AMB 25-2:2029 0 AMB 25-1:2029 2.80 (# 2029:25 Double Ambig)
&rst
ixpk= 2029, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 961, 962, 964, 965,
igr2= 958, 959, 958, 959,
&end
#
# 0 AMB 25-2:2030 0 AMB 25-1:2030 2.80 (# 2030:25 Double Ambig)
&rst
ixpk= 2030, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 961, 962, 964, 965,
igr2= 958, 959, 958, 959,
&end
#
# 60 ALA MB 61 PRO HD+ 3.50 (# 2031:25 Unique 2.14, 3.73 A)
&rst
ixpk= 2031, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 951, 952, 953,
igr2= 958, 959,
&end
#
# 0 AMB 25-2:2032 0 AMB 25-1:2032 4.50 (# 2032:25 Double Ambig)
&rst
ixpk= 2032, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1= 984, 985, 986, 988, 989, 990,1942,1943,1944,1946,
1947,1948,1942,1943,1944,1946,1947,1948,
igr2= 958, 959, 958, 959, 958, 959,
&end
#
# 0 AMB 25-2:2033 61 PRO HD- 4.50 (# 2033:25 Single Ambig)
&rst
ixpk= 2033, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 984, 985, 986, 988, 989, 990,1942,1943,1944,1946,
1947,1948,1942,1943,1944,1946,1947,1948,
igr2= 958, 959,
&end
#
# 60 ALA MB 61 PRO HD- 2.80 (# 2034:25 Unique 2.14, 3.73 A)
&rst
ixpk= 2034, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 951, 952, 953,
igr2= 958, 959,
&end
#
# 0 AMB 25-2:2035 61 PRO HD- 2.80 (# 2035:25 Single Ambig)
&rst
ixpk= 2035, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 961, 962, 964, 965,
igr2= 958, 959,
&end
#
# 0 AMB 25-2:2036 61 PRO HD- 2.80 (# 2036:25 Single Ambig)
&rst
ixpk= 2036, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 961, 962, 964, 965,
igr2= 958, 959,
&end
#
# 61 PRO HA 61 PRO HD- 4.50 (# 2038:25 Unique 3.33, 3.74 A)
&rst
ixpk= 2038, nxpk= 25, iat= 967, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 958, 959,
&end
#
# 60 ALA HA 61 PRO HD- 3.50 (# 2039:25 Unique 2.21, 2.60 A)
&rst
ixpk= 2039, nxpk= 25, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 958, 959,
&end
#
# 60 ALA HN 61 PRO HD- 5.50 (# 2040:25 Unique 4.57, 4.85 A)
&rst
ixpk= 2040, nxpk= 25, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 958, 959,
&end
#
# 62 GLY HN 62 GLY HA+ 2.80 (# 2041:25 Unique 2.27, 2.64 A)
&rst
ixpk= 2041, nxpk= 25, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 973, 974,
&end
#
# 63 VAL HN 62 GLY HA+ 3.50 (# 2042:25 Unique 3.29, 3.39 A)
&rst
ixpk= 2042, nxpk= 25, iat= 978, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 973, 974,
&end
#
# 98 LYS HN 62 GLY HA+ 3.50 (# 2043:25 Unique 2.74, 3.33 A)
&rst
ixpk= 2043, nxpk= 25, iat=1495, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 973, 974,
&end
#
# 0 AMB 25-2:2044 0 AMB 25-1:2044 4.50 (# 2044:25 Double Ambig)
&rst
ixpk= 2044, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1517,1447,
igr2= 973, 974, 973, 974,
&end
#
# 97 ILE HA 62 GLY HA+ 2.80 (# 2045:25 Unique 2.14, 2.97 A)
&rst
ixpk= 2045, nxpk= 25, iat=1478, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 973, 974,
&end
#
# 95 GLU HG+ 62 GLY HA+ 4.50 (# 2046:25 Unique 2.70, 3.81 A)
&rst
ixpk= 2046, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1454,1455,
igr2= 973, 974,
&end
#
# 0 AMB 25-2:2047 0 AMB 25-1:2047 4.50 (# 2047:25 Double Ambig)
&rst
ixpk= 2047, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1451,1452,1451,1452,1499,1500,
igr2= 973, 974, 973, 974, 973, 974,
&end
#
# 0 AMB 25-2:2048 0 AMB 25-1:2048 4.50 (# 2048:25 Double Ambig)
&rst
ixpk= 2048, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.80, r4= 9.55,
igr1= 964, 965,1521,1522, 982, 961, 962,
igr2= 973, 974, 973, 974, 973, 974, 973, 974,
&end
#
# 0 AMB 25-2:2050 0 AMB 25-1:2050 4.50 (# 2050:25 Double Ambig)
&rst
ixpk= 2050, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1499,1500,1466,1467,
igr2= 973, 974, 973, 974,
&end
#
# 98 LYS HG+ 62 GLY HA+ 5.50 (# 2051:25 Unique 3.36, 5.12 A)
&rst
ixpk= 2051, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1502,1503,
igr2= 973, 974,
&end
#
# 0 AMB 25-2:2052 0 AMB 25-1:2052 5.50 (# 2052:25 Double Ambig)
&rst
ixpk= 2052, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1502,1503,1521,1522,
igr2= 973, 974, 973, 974,
&end
#
# 0 AMB 25-2:2053 0 AMB 25-1:2053 3.50 (# 2053:25 Double Ambig)
&rst
ixpk= 2053, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
2017,2018,
igr2= 973, 974, 973, 974,
&end
#
# 97 ILE QD1 62 GLY HA+ 3.50 (# 2054:25 Unique 2.19, 3.97 A)
&rst
ixpk= 2054, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1489,1490,1491,
igr2= 973, 974,
&end
#
# 0 AMB 25-2:2055 0 AMB 25-1:2055 4.50 (# 2055:25 Double Ambig)
&rst
ixpk= 2055, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1486,1487, 915, 916, 917,
igr2= 973, 974, 973, 974,
&end
#
# 97 ILE QG2 63 VAL HA 3.50 (# 2056:25 Unique 2.75, 3.88 A)
&rst
ixpk= 2056, nxpk= 25, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1482,1483,1484,
&end
#
# 0 AMB 25-2:2057 63 VAL HA 2.80 (# 2057:25 Single Ambig)
&rst
ixpk= 2057, nxpk= 25, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 984, 985, 986, 988, 989, 990,1526,1527,1528,1530,
1531,1532,
&end
#
# 0 AMB 25-2:2058 63 VAL HA 2.80 (# 2058:25 Single Ambig)
&rst
ixpk= 2058, nxpk= 25, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 984, 985, 986, 988, 989, 990,1526,1527,1528,1530,
1531,1532,
&end
#
# 99 LEU HB- 63 VAL HA 3.50 (# 2059:25 Unique 2.19, 3.27 A)
&rst
ixpk= 2059, nxpk= 25, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1521,1522,
&end
#
# 0 AMB 25-2:2060 63 VAL HA 2.80 (# 2060:25 Single Ambig)
&rst
ixpk= 2060, nxpk= 25, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1521,1522, 982,
&end
#
# 99 LEU HN 63 VAL HA 3.50 (# 2063:25 Unique 2.86, 3.23 A)
&rst
ixpk= 2063, nxpk= 25, iat=1517, 980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 ALA HN 63 VAL HA 2.80 (# 2065:25 Unique 2.07, 2.15 A)
&rst
ixpk= 2065, nxpk= 25, iat= 994, 980, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:2066 63 VAL HB 4.50 (# 2066:25 Single Ambig)
&rst
ixpk= 2066, nxpk= 25, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 994, 971,
&end
#
# 63 VAL HN 63 VAL HB 2.80 (# 2067:25 Unique 2.58, 2.66 A)
&rst
ixpk= 2067, nxpk= 25, iat= 978, 982, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 ALA HN 63 VAL HB 3.50 (# 2068:25 Unique 2.33, 2.53 A)
&rst
ixpk= 2068, nxpk= 25, iat= 947, 982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 VAL HA 63 VAL HB 3.50 (# 2069:25 Unique 3.03, 3.04 A)
&rst
ixpk= 2069, nxpk= 25, iat= 980, 982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 LEU HB- 63 VAL HB 4.50 (# 2073:25 Unique 2.42, 3.76 A)
&rst
ixpk= 2073, nxpk= 25, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 932, 933,
&end
#
# 60 ALA MB 63 VAL HB 2.80 (# 2074:25 Unique 2.18, 3.32 A)
&rst
ixpk= 2074, nxpk= 25, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 951, 952, 953,
&end
#
# 0 AMB 25-2:2075 63 VAL HB 2.80 (# 2075:25 Single Ambig)
&rst
ixpk= 2075, nxpk= 25, iat= -1, 982, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 984, 985, 986, 988, 989, 990,1942,1943,1944,1946,
1947,1948,
&end
#
# 64 ALA HN 64 ALA HA 3.50 (# 2080:25 Unique 2.97, 2.98 A)
&rst
ixpk= 2080, nxpk= 25, iat= 994, 996, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 MET HN 64 ALA HA 2.80 (# 2081:25 Unique 2.36, 2.42 A)
&rst
ixpk= 2081, nxpk= 25, iat=1004, 996, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 59 LEU HN 64 ALA HA 3.50 (# 2082:25 Unique 2.56, 3.05 A)
&rst
ixpk= 2082, nxpk= 25, iat= 928, 996, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 MET HA 64 ALA HA 5.50 (# 2083:25 Unique 4.49, 4.54 A)
&rst
ixpk= 2083, nxpk= 25, iat=1006, 996, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 ILE HA 64 ALA HA 2.80 (# 2085:25 Unique 1.98, 2.09 A)
&rst
ixpk= 2085, nxpk= 25, iat= 911, 996, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 57 TYR HB+ 64 ALA HA 5.50 (# 2086:25 Unique 3.92, 5.46 A)
&rst
ixpk= 2086, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 892, 893,
&end
#
# 66 PRO HD+ 64 ALA HA 5.50 (# 2087:25 Unique 4.20, 5.36 A)
&rst
ixpk= 2087, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1022,1023,
&end
#
# 65 MET HB+ 64 ALA HA 5.50 (# 2088:25 Unique 4.20, 4.43 A)
&rst
ixpk= 2088, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1008,1009,
&end
#
# 57 TYR HB- 64 ALA HA 5.50 (# 2089:25 Unique 3.92, 5.46 A)
&rst
ixpk= 2089, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 892, 893,
&end
#
# 0 AMB 25-2:2090 64 ALA HA 5.50 (# 2090:25 Single Ambig)
&rst
ixpk= 2090, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 982, 913,
&end
#
# 0 AMB 25-2:2091 64 ALA HA 4.50 (# 2091:25 Single Ambig)
&rst
ixpk= 2091, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1008,1009,1486,1487,
&end
#
# 59 LEU HB- 64 ALA HA 5.50 (# 2092:25 Unique 3.30, 5.07 A)
&rst
ixpk= 2092, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 932, 933,
&end
#
# 58 ILE HG1- 64 ALA HA 4.50 (# 2093:25 Unique 4.37, 5.10 A)
&rst
ixpk= 2093, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 919, 920,
&end
#
# 64 ALA MB 64 ALA HA 2.80 (# 2094:25 Unique 2.36, 2.66 A)
&rst
ixpk= 2094, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 998, 999,1000,
&end
#
# 59 LEU MDX 64 ALA HA 4.50 (# 2095:25 Unique 2.28, 4.68 A)
&rst
ixpk= 2095, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 59 LEU MDY 64 ALA HA 3.50 (# 2096:25 Unique 2.28, 4.68 A)
&rst
ixpk= 2096, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 25-2:2097 64 ALA HA 4.50 (# 2097:25 Single Ambig)
&rst
ixpk= 2097, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1482,1483,1484,1489,1490,1491,
&end
#
# 58 ILE QD1 64 ALA HA 4.50 (# 2098:25 Unique 2.53, 3.93 A)
&rst
ixpk= 2098, nxpk= 25, iat= -1, 996, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 922, 923, 924,
&end
#
# 58 ILE QD1 64 ALA MB 3.50 (# 2099:25 Unique 2.23, 3.83 A)
&rst
ixpk= 2099, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 922, 923, 924,
igr2= 998, 999,1000,
&end
#
# 97 ILE QG2 64 ALA MB 2.80 (# 2100:25 Unique 2.13, 3.52 A)
&rst
ixpk= 2100, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1482,1483,1484,
igr2= 998, 999,1000,
&end
#
# 0 AMB 25-2:2101 0 AMB 25-1:2101 2.80 (# 2101:25 Double Ambig)
&rst
ixpk= 2101, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1=1499,1500,1543,
igr2=1275,1276,1277,1279,1280,1281, 998, 999,1000,
&end
#
# 98 LYS HB+ 83 LEU MDY 2.80 (# 2103:25 Unique 2.29, 4.75 A)
&rst
ixpk= 2103, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1499,1500,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 58 ILE HA 64 ALA MB 3.50 (# 2105:25 Unique 2.94, 3.97 A)
&rst
ixpk= 2105, nxpk= 25, iat= 911, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 998, 999,1000,
&end
#
# 0 AMB 25-2:2106 0 AMB 25-1:2106 2.80 (# 2106:25 Double Ambig)
&rst
ixpk= 2106, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1268, 996,
igr2=1275,1276,1277,1279,1280,1281, 998, 999,1000,
&end
#
# 0 AMB 25-2:2108 0 AMB 25-1:2108 4.50 (# 2108:25 Double Ambig)
&rst
ixpk= 2108, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1517, 928,
igr2=1275,1276,1277,1279,1280,1281, 998, 999,1000,
&end
#
# 65 MET HN 64 ALA MB 3.50 (# 2109:25 Unique 2.25, 3.21 A)
&rst
ixpk= 2109, nxpk= 25, iat=1004, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 998, 999,1000,
&end
#
# 64 ALA HN 64 ALA MB 3.50 (# 2110:25 Unique 2.43, 3.16 A)
&rst
ixpk= 2110, nxpk= 25, iat= 994, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 998, 999,1000,
&end
#
# 101 ILE HN 65 MET HA 3.50 (# 2111:25 Unique 2.06, 2.32 A)
&rst
ixpk= 2111, nxpk= 25, iat=1555,1006, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 MET HN 65 MET HA 4.50 (# 2112:25 Unique 2.89, 2.92 A)
&rst
ixpk= 2112, nxpk= 25, iat=1004,1006, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 TYR HD 65 MET HA 5.50 (# 2113:25 Unique 4.65, 6.51 A)
&rst
ixpk= 2113, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 896, 905,
&end
#
# 100 LEU HA 65 MET HA 4.50 (# 2115:25 Unique 3.38, 3.71 A)
&rst
ixpk= 2115, nxpk= 25, iat=1538,1006, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2116 65 MET HA 4.50 (# 2116:25 Single Ambig)
&rst
ixpk= 2116, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1557, 996,
&end
#
# 102 GLY HA- 65 MET HA 5.50 (# 2117:25 Unique 4.33, 5.18 A)
&rst
ixpk= 2117, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1576,1577,
&end
#
# 57 TYR HB+ 65 MET HA 5.50 (# 2118:25 Unique 4.36, 5.56 A)
&rst
ixpk= 2118, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 892, 893,
&end
#
# 66 PRO HD- 65 MET HA 3.50 (# 2119:25 Unique 2.16, 2.51 A)
&rst
ixpk= 2119, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1022,1023,
&end
#
# 66 PRO HD+ 65 MET HA 3.50 (# 2120:25 Unique 2.16, 2.51 A)
&rst
ixpk= 2120, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1022,1023,
&end
#
# 0 AMB 25-2:2121 65 MET HA 2.80 (# 2121:25 Single Ambig)
&rst
ixpk= 2121, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1008,1009,1011,1012,
&end
#
# 65 MET HG- 65 MET HA 4.50 (# 2122:25 Unique 2.44, 2.84 A)
&rst
ixpk= 2122, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1011,1012,
&end
#
# 0 AMB 25-2:2123 65 MET HA 4.50 (# 2123:25 Single Ambig)
&rst
ixpk= 2123, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1025,1026, 455, 456, 457,
&end
#
# 0 AMB 25-2:2124 65 MET HA 3.50 (# 2124:25 Single Ambig)
&rst
ixpk= 2124, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1559,1540,1541,
&end
#
# 65 MET HB- 65 MET HA 3.50 (# 2125:25 Unique 2.34, 2.72 A)
&rst
ixpk= 2125, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1008,1009,
&end
#
# 100 LEU HB- 65 MET HA 5.50 (# 2126:25 Unique 3.38, 4.65 A)
&rst
ixpk= 2126, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1540,1541,
&end
#
# 0 AMB 25-2:2127 65 MET HA 3.50 (# 2127:25 Single Ambig)
&rst
ixpk= 2127, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1561,1562,1563, 998, 999,1000,
&end
#
# 0 AMB 25-2:2128 65 MET HA 4.50 (# 2128:25 Single Ambig)
&rst
ixpk= 2128, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 937, 938, 939, 941, 942, 943,1568,1569,1570,
&end
#
# 0 AMB 25-2:2129 65 MET HA 3.50 (# 2129:25 Single Ambig)
&rst
ixpk= 2129, nxpk= 25, iat= -1,1006, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 937, 938, 939, 941, 942, 943,1545,1546,1547,1549,
1550,1551,
&end
#
# 0 AMB 25-2:2130 0 AMB 25-1:2130 2.80 (# 2130:25 Double Ambig)
&rst
ixpk= 2130, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 937, 938, 939, 941, 942, 943,1927,1928,1929,
igr2=1008,1009,1876,1877,
&end
#
# 59 LEU MDY 65 MET HB+ 2.80 (# 2131:25 Unique 2.08, 3.97 A)
&rst
ixpk= 2131, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 937, 938, 939, 941, 942, 943,
igr2=1008,1009,
&end
#
# 124 GLU HA 124 GLU HG+ 3.50 (# 2135:25 Unique 2.54, 3.30 A)
&rst
ixpk= 2135, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1876,1877,
&end
#
# 65 MET HA 65 MET HB+ 4.50 (# 2136:25 Unique 2.34, 2.72 A)
&rst
ixpk= 2136, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1008,1009,
&end
#
# 0 AMB 25-2:2137 0 AMB 25-1:2137 3.50 (# 2137:25 Double Ambig)
&rst
ixpk= 2137, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1914,1869,
igr2=1876,1877,1876,1877,
&end
#
# 65 MET HN 65 MET HB- 4.50 (# 2138:25 Unique 2.78, 3.13 A)
&rst
ixpk= 2138, nxpk= 25, iat=1004, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1008,1009,
&end
#
# 71 GLU HN 71 GLU HG+ 4.50 (# 2140:25 Unique 1.99, 2.79 A)
&rst
ixpk= 2140, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1107,1108,
&end
#
# 65 MET HA 65 MET HB- 3.50 (# 2141:25 Unique 2.34, 2.72 A)
&rst
ixpk= 2141, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1008,1009,
&end
#
# 118 LEU MDX 65 MET HG+ 3.50 (# 2143:25 Unique 2.20, 4.57 A)
&rst
ixpk= 2143, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1784,1785,1786,1788,1789,1790,
igr2=1011,1012,
&end
#
# 101 ILE QG2 65 MET HG+ 4.50 (# 2145:25 Unique 2.20, 4.16 A)
&rst
ixpk= 2145, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1561,1562,1563,
igr2=1011,1012,
&end
#
# 101 ILE QG2 65 MET HG- 4.50 (# 2146:25 Unique 2.20, 4.16 A)
&rst
ixpk= 2146, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1561,1562,1563,
igr2=1011,1012,
&end
#
# 103 LEU HB+ 65 MET HG+ 4.50 (# 2147:25 Unique 3.74, 4.37 A)
&rst
ixpk= 2147, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1585,1586,
igr2=1011,1012,
&end
#
# 65 MET HB- 65 MET HG+ 2.80 (# 2148:25 Unique 2.20, 2.74 A)
&rst
ixpk= 2148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1008,1009,
igr2=1011,1012,
&end
#
# 65 MET HB- 65 MET HG- 2.80 (# 2149:25 Unique 2.20, 2.74 A)
&rst
ixpk= 2149, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1008,1009,
igr2=1011,1012,
&end
#
# 65 MET ME 65 MET HG+ 3.50 (# 2150:25 Unique 2.58, 3.78 A)
&rst
ixpk= 2150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1015,1016,1017,
igr2=1011,1012,
&end
#
# 101 ILE HB 65 MET HG+ 2.80 (# 2151:25 Unique 2.46, 3.57 A)
&rst
ixpk= 2151, nxpk= 25, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1011,1012,
&end
#
# 65 MET HN 65 MET HG+ 5.50 (# 2152:25 Unique 4.45, 4.75 A)
&rst
ixpk= 2152, nxpk= 25, iat=1004, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1011,1012,
&end
#
# 65 MET HN 65 MET HG- 5.50 (# 2153:25 Unique 4.45, 4.75 A)
&rst
ixpk= 2153, nxpk= 25, iat=1004, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1011,1012,
&end
#
# 46 ILE QD1 66 PRO HA 5.50 (# 2154:25 Unique 4.27, 5.73 A)
&rst
ixpk= 2154, nxpk= 25, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 734, 735, 736,
&end
#
# 46 ILE QG2 66 PRO HA 4.50 (# 2155:25 Unique 3.01, 4.25 A)
&rst
ixpk= 2155, nxpk= 25, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 727, 728, 729,
&end
#
# 64 ALA MB 66 PRO HA 5.50 (# 2157:25 Unique 4.10, 5.38 A)
&rst
ixpk= 2157, nxpk= 25, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 998, 999,1000,
&end
#
# 25 ILE QD1 66 PRO HA 5.50 (# 2158:25 Unique 4.50, 6.16 A)
&rst
ixpk= 2158, nxpk= 25, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 395, 396, 397,
&end
#
# 66 PRO HB- 66 PRO HA 2.80 (# 2159:25 Unique 2.27, 2.67 A)
&rst
ixpk= 2159, nxpk= 25, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1028,1029,
&end
#
# 66 PRO HB+ 66 PRO HA 3.50 (# 2160:25 Unique 2.27, 2.67 A)
&rst
ixpk= 2160, nxpk= 25, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1028,1029,
&end
#
# 66 PRO HG+ 66 PRO HA 4.50 (# 2161:25 Unique 2.87, 3.53 A)
&rst
ixpk= 2161, nxpk= 25, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1025,1026,
&end
#
# 66 PRO HD+ 66 PRO HA 5.50 (# 2162:25 Unique 3.26, 3.74 A)
&rst
ixpk= 2162, nxpk= 25, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1022,1023,
&end
#
# 66 PRO HD- 66 PRO HA 5.50 (# 2163:25 Unique 3.26, 3.74 A)
&rst
ixpk= 2163, nxpk= 25, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1022,1023,
&end
#
# 57 TYR HA 66 PRO HA 5.50 (# 2165:25 Unique 5.20, 5.57 A)
&rst
ixpk= 2165, nxpk= 25, iat= 890,1031, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 MET HA 66 PRO HA 5.50 (# 2166:25 Unique 4.55, 4.62 A)
&rst
ixpk= 2166, nxpk= 25, iat=1006,1031, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 HIS HN 66 PRO HB+ 5.50 (# 2168:25 Unique 1.79, 2.93 A)
&rst
ixpk= 2168, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1028,1029,
&end
#
# 67 HIS HN 66 PRO HB- 4.50 (# 2169:25 Unique 1.79, 2.93 A)
&rst
ixpk= 2169, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1028,1029,
&end
#
# 0 AMB 25-2:2170 0 AMB 25-1:2170 4.50 (# 2170:25 Double Ambig)
&rst
ixpk= 2170, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1022,1023,1576,1577,
igr2=1028,1029,1028,1029,
&end
#
# 0 AMB 25-2:2171 66 PRO HB- 4.50 (# 2171:25 Single Ambig)
&rst
ixpk= 2171, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1022,1023,1576,1577,
igr2=1028,1029,
&end
#
# 66 PRO HD+ 66 PRO HB- 5.50 (# 2172:25 Unique 2.80, 3.70 A)
&rst
ixpk= 2172, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1022,1023,
igr2=1028,1029,
&end
#
# 66 PRO HD+ 66 PRO HB+ 4.50 (# 2173:25 Unique 2.80, 3.70 A)
&rst
ixpk= 2173, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1022,1023,
igr2=1028,1029,
&end
#
# 66 PRO HA 66 PRO HB+ 3.50 (# 2174:25 Unique 2.27, 2.67 A)
&rst
ixpk= 2174, nxpk= 25, iat=1031, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1028,1029,
&end
#
# 66 PRO HA 66 PRO HB- 3.50 (# 2175:25 Unique 2.27, 2.67 A)
&rst
ixpk= 2175, nxpk= 25, iat=1031, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1028,1029,
&end
#
# 0 AMB 25-2:2177 66 PRO HB- 2.80 (# 2177:25 Single Ambig)
&rst
ixpk= 2177, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=1025,1026, 455, 456, 457,
igr2=1028,1029,
&end
#
# 25 ILE QD1 66 PRO HB- 3.50 (# 2179:25 Unique 2.47, 4.68 A)
&rst
ixpk= 2179, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 395, 396, 397,
igr2=1028,1029,
&end
#
# 25 ILE QD1 66 PRO HB+ 4.50 (# 2180:25 Unique 2.47, 4.68 A)
&rst
ixpk= 2180, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 395, 396, 397,
igr2=1028,1029,
&end
#
# 46 ILE QG2 66 PRO HB+ 3.50 (# 2182:25 Unique 2.13, 3.10 A)
&rst
ixpk= 2182, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 727, 728, 729,
igr2=1028,1029,
&end
#
# 46 ILE QG2 66 PRO HB- 3.50 (# 2183:25 Unique 2.13, 3.10 A)
&rst
ixpk= 2183, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 727, 728, 729,
igr2=1028,1029,
&end
#
# 46 ILE QD1 66 PRO HB+ 4.50 (# 2184:25 Unique 2.25, 4.08 A)
&rst
ixpk= 2184, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 734, 735, 736,
igr2=1028,1029,
&end
#
# 46 ILE QD1 66 PRO HB- 4.50 (# 2185:25 Unique 2.25, 4.08 A)
&rst
ixpk= 2185, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 734, 735, 736,
igr2=1028,1029,
&end
#
# 100 LEU MDY 66 PRO HG+ 3.50 (# 2186:25 Unique 2.25, 4.67 A)
&rst
ixpk= 2186, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1545,1546,1547,1549,1550,1551,
igr2=1025,1026,
&end
#
# 25 ILE QD1 66 PRO HG+ 4.50 (# 2187:25 Unique 3.95, 5.56 A)
&rst
ixpk= 2187, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 395, 396, 397,
igr2=1025,1026,
&end
#
# 66 PRO HA 66 PRO HG- 4.50 (# 2189:25 Unique 2.87, 3.53 A)
&rst
ixpk= 2189, nxpk= 25, iat=1031, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1025,1026,
&end
#
# 66 PRO HD+ 66 PRO HG+ 3.50 (# 2190:25 Unique 2.24, 2.59 A)
&rst
ixpk= 2190, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1022,1023,
igr2=1025,1026,
&end
#
# 66 PRO HD+ 66 PRO HG- 3.50 (# 2191:25 Unique 2.24, 2.59 A)
&rst
ixpk= 2191, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1022,1023,
igr2=1025,1026,
&end
#
# 66 PRO HD- 66 PRO HG- 4.50 (# 2192:25 Unique 2.24, 2.59 A)
&rst
ixpk= 2192, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1022,1023,
igr2=1025,1026,
&end
#
# 66 PRO HD- 66 PRO HG+ 3.50 (# 2193:25 Unique 2.24, 2.59 A)
&rst
ixpk= 2193, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1022,1023,
igr2=1025,1026,
&end
#
# 65 MET HA 66 PRO HG+ 5.50 (# 2195:25 Unique 4.37, 4.62 A)
&rst
ixpk= 2195, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1025,1026,
&end
#
# 65 MET HA 66 PRO HG- 5.50 (# 2196:25 Unique 4.37, 4.62 A)
&rst
ixpk= 2196, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1025,1026,
&end
#
# 67 HIS HN 66 PRO HG- 5.50 (# 2197:25 Unique 1.94, 4.11 A)
&rst
ixpk= 2197, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1025,1026,
&end
#
# 67 HIS HN 66 PRO HG+ 5.50 (# 2198:25 Unique 1.94, 4.11 A)
&rst
ixpk= 2198, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1025,1026,
&end
#
# 101 ILE HN 66 PRO HD- 4.50 (# 2199:25 Unique 2.62, 3.38 A)
&rst
ixpk= 2199, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1022,1023,
&end
#
# 101 ILE HN 66 PRO HD+ 4.50 (# 2200:25 Unique 2.62, 3.38 A)
&rst
ixpk= 2200, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1022,1023,
&end
#
# 65 MET HN 66 PRO HD- 5.50 (# 2202:25 Unique 2.85, 3.73 A)
&rst
ixpk= 2202, nxpk= 25, iat=1004, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1022,1023,
&end
#
# 65 MET HN 66 PRO HD+ 4.50 (# 2203:25 Unique 2.85, 3.73 A)
&rst
ixpk= 2203, nxpk= 25, iat=1004, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1022,1023,
&end
#
# 103 LEU HN 66 PRO HD- 5.50 (# 2205:25 Unique 4.50, 6.12 A)
&rst
ixpk= 2205, nxpk= 25, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1022,1023,
&end
#
# 67 HIS HN 66 PRO HD- 5.50 (# 2206:25 Unique 2.77, 3.71 A)
&rst
ixpk= 2206, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1022,1023,
&end
#
# 67 HIS HN 66 PRO HD+ 5.50 (# 2207:25 Unique 2.77, 3.71 A)
&rst
ixpk= 2207, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1022,1023,
&end
#
# 65 MET HA 66 PRO HD- 3.50 (# 2208:25 Unique 2.16, 2.51 A)
&rst
ixpk= 2208, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1022,1023,
&end
#
# 65 MET HA 66 PRO HD+ 3.50 (# 2209:25 Unique 2.16, 2.51 A)
&rst
ixpk= 2209, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1022,1023,
&end
#
# 0 AMB 25-2:2210 66 PRO HD- 5.50 (# 2210:25 Single Ambig)
&rst
ixpk= 2210, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1557, 996,
igr2=1022,1023,
&end
#
# 100 LEU HA 66 PRO HD+ 4.50 (# 2211:25 Unique 2.89, 3.79 A)
&rst
ixpk= 2211, nxpk= 25, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1022,1023,
&end
#
# 0 AMB 25-2:2212 0 AMB 25-1:2212 5.50 (# 2212:25 Double Ambig)
&rst
ixpk= 2212, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1557, 996,
igr2=1022,1023,1022,1023,
&end
#
# 100 LEU HA 66 PRO HD- 4.50 (# 2213:25 Unique 2.89, 3.79 A)
&rst
ixpk= 2213, nxpk= 25, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1022,1023,
&end
#
# 66 PRO HA 66 PRO HD+ 5.50 (# 2218:25 Unique 3.26, 3.74 A)
&rst
ixpk= 2218, nxpk= 25, iat=1031, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1022,1023,
&end
#
# 0 AMB 25-2:2219 0 AMB 25-1:2219 5.50 (# 2219:25 Double Ambig)
&rst
ixpk= 2219, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1011,1012,1008,1009,
igr2=1022,1023,1022,1023,
&end
#
# 66 PRO HG+ 66 PRO HD+ 3.50 (# 2220:25 Unique 2.24, 2.59 A)
&rst
ixpk= 2220, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1025,1026,
igr2=1022,1023,
&end
#
# 0 AMB 25-2:2221 0 AMB 25-1:2221 4.50 (# 2221:25 Double Ambig)
&rst
ixpk= 2221, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1540,1541,1028,1029,
igr2=1022,1023,1022,1023,
&end
#
# 66 PRO HG- 66 PRO HD+ 3.50 (# 2222:25 Unique 2.24, 2.59 A)
&rst
ixpk= 2222, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1025,1026,
igr2=1022,1023,
&end
#
# 100 LEU HB- 66 PRO HD+ 5.50 (# 2223:25 Unique 2.26, 3.50 A)
&rst
ixpk= 2223, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1540,1541,
igr2=1022,1023,
&end
#
# 64 ALA MB 66 PRO HD+ 3.50 (# 2224:25 Unique 2.53, 4.41 A)
&rst
ixpk= 2224, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 998, 999,1000,
igr2=1022,1023,
&end
#
# 100 LEU MDY 66 PRO HD+ 3.50 (# 2225:25 Unique 2.16, 5.22 A)
&rst
ixpk= 2225, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1545,1546,1547,1549,1550,1551,
igr2=1022,1023,
&end
#
# 66 PRO HG+ 66 PRO HD- 3.50 (# 2226:25 Unique 2.24, 2.59 A)
&rst
ixpk= 2226, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1025,1026,
igr2=1022,1023,
&end
#
# 68 ALA HN 67 HIS HB+ 4.50 (# 2235:25 Unique 2.36, 3.71 A)
&rst
ixpk= 2235, nxpk= 25, iat=1052, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1039,1040,
&end
#
# 68 ALA HN 67 HIS HB- 3.50 (# 2236:25 Unique 2.36, 3.71 A)
&rst
ixpk= 2236, nxpk= 25, iat=1052, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1039,1040,
&end
#
# 103 LEU HN 67 HIS HB+ 5.50 (# 2237:25 Unique 2.01, 2.91 A)
&rst
ixpk= 2237, nxpk= 25, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1039,1040,
&end
#
# 103 LEU HN 67 HIS HB- 5.50 (# 2238:25 Unique 2.01, 2.91 A)
&rst
ixpk= 2238, nxpk= 25, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1039,1040,
&end
#
# 103 LEU HB- 67 HIS HB+ 4.50 (# 2247:25 Unique 2.32, 3.49 A)
&rst
ixpk= 2247, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1585,1586,
igr2=1039,1040,
&end
#
# 103 LEU HB- 67 HIS HB- 4.50 (# 2248:25 Unique 2.32, 3.49 A)
&rst
ixpk= 2248, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1585,1586,
igr2=1039,1040,
&end
#
# 103 LEU HB+ 67 HIS HB+ 4.50 (# 2250:25 Unique 2.32, 3.49 A)
&rst
ixpk= 2250, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1585,1586,
igr2=1039,1040,
&end
#
# 103 LEU HG 67 HIS HB- 5.50 (# 2251:25 Unique 5.33, 5.87 A)
&rst
ixpk= 2251, nxpk= 25, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1039,1040,
&end
#
# 103 LEU MDY 67 HIS HB+ 5.50 (# 2252:25 Unique 3.95, 5.50 A)
&rst
ixpk= 2252, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1039,1040,
&end
#
# 0 AMB 25-2:2253 0 AMB 25-1:2253 4.50 (# 2253:25 Double Ambig)
&rst
ixpk= 2253, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
igr2=1039,1040,1039,1040,
&end
#
# 0 AMB 25-2:2254 67 HIS HB- 4.50 (# 2254:25 Single Ambig)
&rst
ixpk= 2254, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
igr2=1039,1040,
&end
#
# 68 ALA MB 68 ALA HA 2.80 (# 2255:25 Unique 2.34, 2.64 A)
&rst
ixpk= 2255, nxpk= 25, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1056,1057,1058,
&end
#
# 69 ARG HB+ 68 ALA HA 4.50 (# 2256:25 Unique 4.69, 5.32 A)
&rst
ixpk= 2256, nxpk= 25, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1066,1067,
&end
#
# 69 ARG HN 68 ALA HA 2.80 (# 2258:25 Unique 2.33, 2.42 A)
&rst
ixpk= 2258, nxpk= 25, iat=1062,1054, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 ALA HN 68 ALA HA 3.50 (# 2259:25 Unique 2.90, 2.96 A)
&rst
ixpk= 2259, nxpk= 25, iat=1052,1054, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 ALA HN 68 ALA MB 3.50 (# 2260:25 Unique 2.36, 3.27 A)
&rst
ixpk= 2260, nxpk= 25, iat=1052, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1056,1057,1058,
&end
#
# 83 LEU HN 82 THR MG2 2.80 (# 2261:25 Unique 2.52, 3.38 A)
&rst
ixpk= 2261, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1258,1259,1260,
&end
#
# 69 ARG HN 68 ALA MB 2.80 (# 2262:25 Unique 2.26, 3.34 A)
&rst
ixpk= 2262, nxpk= 25, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1056,1057,1058,
&end
#
# 46 ILE HN 68 ALA MB 4.50 (# 2263:25 Unique 3.64, 4.57 A)
&rst
ixpk= 2263, nxpk= 25, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1056,1057,1058,
&end
#
# 67 HIS HD2 68 ALA MB 5.50 (# 2265:25 Unique 5.22, 6.05 A)
&rst
ixpk= 2265, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1056,1057,1058,
&end
#
# 67 HIS HN 68 ALA MB 5.50 (# 2267:25 Unique 5.86, 6.66 A)
&rst
ixpk= 2267, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1056,1057,1058,
&end
#
# 0 AMB 25-2:2268 82 THR MG2 4.50 (# 2268:25 Single Ambig)
&rst
ixpk= 2268, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 211, 200,
igr2=1258,1259,1260,
&end
#
# 68 ALA HA 68 ALA MB 2.80 (# 2270:25 Unique 2.34, 2.64 A)
&rst
ixpk= 2270, nxpk= 25, iat=1054, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1056,1057,1058,
&end
#
# 13 SER HB- 82 THR MG2 4.50 (# 2271:25 Unique 3.15, 5.49 A)
&rst
ixpk= 2271, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 202, 203,
igr2=1258,1259,1260,
&end
#
# 27 PHE HB- 82 THR MG2 3.50 (# 2272:25 Unique 2.58, 4.50 A)
&rst
ixpk= 2272, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 417, 418,
igr2=1258,1259,1260,
&end
#
# 46 ILE HG1- 68 ALA MB 2.80 (# 2274:25 Unique 2.17, 3.32 A)
&rst
ixpk= 2274, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 731, 732,
igr2=1056,1057,1058,
&end
#
# 15 ILE HB 82 THR MG2 3.50 (# 2275:25 Unique 3.71, 4.35 A)
&rst
ixpk= 2275, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1258,1259,1260,
&end
#
# 45 ALA MB 68 ALA MB 2.80 (# 2276:25 Unique 2.84, 3.99 A)
&rst
ixpk= 2276, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 715, 716, 717,
igr2=1056,1057,1058,
&end
#
# 74 ALA MB 70 PRO HA 2.80 (# 2277:25 Unique 2.22, 2.74 A)
&rst
ixpk= 2277, nxpk= 25, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1137,1138,1139,
&end
#
# 70 PRO HB- 70 PRO HA 3.50 (# 2278:25 Unique 2.41, 2.75 A)
&rst
ixpk= 2278, nxpk= 25, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1093,1094,
&end
#
# 70 PRO HG+ 70 PRO HA 4.50 (# 2279:25 Unique 2.74, 3.32 A)
&rst
ixpk= 2279, nxpk= 25, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1090,1091,
&end
#
# 70 PRO HB+ 70 PRO HA 2.80 (# 2280:25 Unique 2.41, 2.75 A)
&rst
ixpk= 2280, nxpk= 25, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1093,1094,
&end
#
# 106 ALA HA 70 PRO HA 4.50 (# 2282:25 Unique 4.52, 4.53 A)
&rst
ixpk= 2282, nxpk= 25, iat=1623,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 HIS HD2 70 PRO HA 5.50 (# 2285:25 Unique 5.62, 5.66 A)
&rst
ixpk= 2285, nxpk= 25, iat=1048,1096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2287 70 PRO HA 5.50 (# 2287:25 Single Ambig)
&rst
ixpk= 2287, nxpk= 25, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1126,1621,
&end
#
# 74 ALA HN 70 PRO HA 4.50 (# 2288:25 Unique 3.27, 3.36 A)
&rst
ixpk= 2288, nxpk= 25, iat=1133,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 CYS HN 70 PRO HA 4.50 (# 2289:25 Unique 3.82, 3.89 A)
&rst
ixpk= 2289, nxpk= 25, iat=1115,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 GLU HN 70 PRO HA 5.50 (# 2290:25 Unique 3.53, 3.60 A)
&rst
ixpk= 2290, nxpk= 25, iat=1100,1096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 71 GLU HN 70 PRO HB+ 4.50 (# 2291:25 Unique 2.30, 3.10 A)
&rst
ixpk= 2291, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1093,1094,
&end
#
# 71 GLU HN 70 PRO HB- 4.50 (# 2292:25 Unique 2.30, 3.10 A)
&rst
ixpk= 2292, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1093,1094,
&end
#
# 107 ASP HN 70 PRO HB+ 5.50 (# 2293:25 Unique 3.86, 4.66 A)
&rst
ixpk= 2293, nxpk= 25, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1093,1094,
&end
#
# 70 PRO HA 70 PRO HB+ 2.80 (# 2294:25 Unique 2.41, 2.75 A)
&rst
ixpk= 2294, nxpk= 25, iat=1096, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1093,1094,
&end
#
# 70 PRO HA 70 PRO HB- 2.80 (# 2295:25 Unique 2.41, 2.75 A)
&rst
ixpk= 2295, nxpk= 25, iat=1096, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1093,1094,
&end
#
# 70 PRO HD- 70 PRO HB- 3.50 (# 2296:25 Unique 2.80, 3.67 A)
&rst
ixpk= 2296, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1087,1088,
igr2=1093,1094,
&end
#
# 70 PRO HD+ 70 PRO HB- 3.50 (# 2297:25 Unique 2.80, 3.67 A)
&rst
ixpk= 2297, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1087,1088,
igr2=1093,1094,
&end
#
# 106 ALA HA 70 PRO HB+ 3.50 (# 2298:25 Unique 3.27, 4.27 A)
&rst
ixpk= 2298, nxpk= 25, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1093,1094,
&end
#
# 70 PRO HG+ 70 PRO HB+ 2.80 (# 2302:25 Unique 2.37, 2.63 A)
&rst
ixpk= 2302, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1090,1091,
igr2=1093,1094,
&end
#
# 105 ALA MB 70 PRO HB+ 5.50 (# 2303:25 Unique 4.08, 5.56 A)
&rst
ixpk= 2303, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1615,1616,1617,
igr2=1093,1094,
&end
#
# 74 ALA MB 70 PRO HB+ 3.50 (# 2304:25 Unique 2.97, 4.60 A)
&rst
ixpk= 2304, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1137,1138,1139,
igr2=1093,1094,
&end
#
# 74 ALA MB 70 PRO HG+ 4.50 (# 2305:25 Unique 4.24, 5.34 A)
&rst
ixpk= 2305, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1137,1138,1139,
igr2=1090,1091,
&end
#
# 70 PRO HB+ 70 PRO HG+ 2.80 (# 2306:25 Unique 2.37, 2.63 A)
&rst
ixpk= 2306, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1093,1094,
igr2=1090,1091,
&end
#
# 70 PRO HB+ 70 PRO HG- 2.80 (# 2307:25 Unique 2.37, 2.63 A)
&rst
ixpk= 2307, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1093,1094,
igr2=1090,1091,
&end
#
# 70 PRO HD+ 70 PRO HG+ 2.80 (# 2309:25 Unique 2.31, 2.61 A)
&rst
ixpk= 2309, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1087,1088,
igr2=1090,1091,
&end
#
# 70 PRO HD- 70 PRO HG- 2.80 (# 2310:25 Unique 2.31, 2.61 A)
&rst
ixpk= 2310, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1087,1088,
igr2=1090,1091,
&end
#
# 70 PRO HD+ 70 PRO HG- 2.80 (# 2311:25 Unique 2.31, 2.61 A)
&rst
ixpk= 2311, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1087,1088,
igr2=1090,1091,
&end
#
# 71 GLU HA 71 GLU HB+ 2.80 (# 2312:25 Unique 2.37, 2.54 A)
&rst
ixpk= 2312, nxpk= 25, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1104,1105,
&end
#
# 70 PRO HA 70 PRO HG- 4.50 (# 2314:25 Unique 2.74, 3.32 A)
&rst
ixpk= 2314, nxpk= 25, iat=1096, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1090,1091,
&end
#
# 71 GLU HN 71 GLU HB+ 3.50 (# 2315:25 Unique 2.28, 2.99 A)
&rst
ixpk= 2315, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1104,1105,
&end
#
# 71 GLU HN 70 PRO HG- 4.50 (# 2316:25 Unique 4.10, 4.43 A)
&rst
ixpk= 2316, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1090,1091,
&end
#
# 71 GLU HN 70 PRO HD+ 5.50 (# 2317:25 Unique 2.90, 3.66 A)
&rst
ixpk= 2317, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1087,1088,
&end
#
# 71 GLU HN 70 PRO HD- 4.50 (# 2318:25 Unique 2.90, 3.66 A)
&rst
ixpk= 2318, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1087,1088,
&end
#
# 69 ARG HN 70 PRO HD+ 5.50 (# 2319:25 Unique 4.88, 5.03 A)
&rst
ixpk= 2319, nxpk= 25, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1087,1088,
&end
#
# 69 ARG HN 70 PRO HD- 5.50 (# 2320:25 Unique 4.88, 5.03 A)
&rst
ixpk= 2320, nxpk= 25, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1087,1088,
&end
#
# 69 ARG HA 70 PRO HD+ 2.80 (# 2321:25 Unique 2.12, 2.44 A)
&rst
ixpk= 2321, nxpk= 25, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1087,1088,
&end
#
# 69 ARG HA 70 PRO HD- 2.80 (# 2322:25 Unique 2.12, 2.44 A)
&rst
ixpk= 2322, nxpk= 25, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1087,1088,
&end
#
# 70 PRO HB+ 70 PRO HD+ 5.50 (# 2323:25 Unique 2.80, 3.67 A)
&rst
ixpk= 2323, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1093,1094,
igr2=1087,1088,
&end
#
# 70 PRO HB+ 70 PRO HD- 4.50 (# 2324:25 Unique 2.80, 3.67 A)
&rst
ixpk= 2324, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1093,1094,
igr2=1087,1088,
&end
#
# 70 PRO HG+ 70 PRO HD+ 2.80 (# 2325:25 Unique 2.31, 2.61 A)
&rst
ixpk= 2325, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1090,1091,
igr2=1087,1088,
&end
#
# 70 PRO HG- 70 PRO HD+ 2.80 (# 2326:25 Unique 2.31, 2.61 A)
&rst
ixpk= 2326, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1090,1091,
igr2=1087,1088,
&end
#
# 70 PRO HG- 70 PRO HD- 2.80 (# 2327:25 Unique 2.31, 2.61 A)
&rst
ixpk= 2327, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1090,1091,
igr2=1087,1088,
&end
#
# 70 PRO HG+ 70 PRO HD- 2.80 (# 2328:25 Unique 2.31, 2.61 A)
&rst
ixpk= 2328, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1090,1091,
igr2=1087,1088,
&end
#
# 69 ARG HB+ 70 PRO HD+ 2.80 (# 2329:25 Unique 2.32, 3.72 A)
&rst
ixpk= 2329, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1066,1067,
igr2=1087,1088,
&end
#
# 69 ARG HB+ 70 PRO HD- 2.80 (# 2330:25 Unique 2.32, 3.72 A)
&rst
ixpk= 2330, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1066,1067,
igr2=1087,1088,
&end
#
# 71 GLU HB+ 71 GLU HA 2.80 (# 2331:25 Unique 2.37, 2.54 A)
&rst
ixpk= 2331, nxpk= 25, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1104,1105,
&end
#
# 71 GLU HG- 71 GLU HA 3.50 (# 2332:25 Unique 2.48, 3.54 A)
&rst
ixpk= 2332, nxpk= 25, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1107,1108,
&end
#
# 71 GLU HG+ 71 GLU HA 3.50 (# 2333:25 Unique 2.48, 3.54 A)
&rst
ixpk= 2333, nxpk= 25, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1107,1108,
&end
#
# 70 PRO HB+ 71 GLU HA 5.50 (# 2334:25 Unique 3.88, 4.37 A)
&rst
ixpk= 2334, nxpk= 25, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1093,1094,
&end
#
# 73 GLY HN 71 GLU HA 4.50 (# 2335:25 Unique 3.35, 3.51 A)
&rst
ixpk= 2335, nxpk= 25, iat=1126,1102, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 ALA HN 71 GLU HA 5.50 (# 2336:25 Unique 4.21, 4.47 A)
&rst
ixpk= 2336, nxpk= 25, iat=1133,1102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 CYS HN 71 GLU HA 3.50 (# 2337:25 Unique 3.38, 3.43 A)
&rst
ixpk= 2337, nxpk= 25, iat=1115,1102, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 GLU HN 71 GLU HA 3.50 (# 2338:25 Unique 2.76, 2.79 A)
&rst
ixpk= 2338, nxpk= 25, iat=1100,1102, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 GLU HA 71 GLU HG- 3.50 (# 2339:25 Unique 2.48, 3.54 A)
&rst
ixpk= 2339, nxpk= 25, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1107,1108,
&end
#
# 72 CYS HN 71 GLU HG+ 4.50 (# 2340:25 Unique 2.94, 3.84 A)
&rst
ixpk= 2340, nxpk= 25, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1107,1108,
&end
#
# 72 CYS HN 71 GLU HG- 4.50 (# 2341:25 Unique 2.94, 3.84 A)
&rst
ixpk= 2341, nxpk= 25, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1107,1108,
&end
#
# 71 GLU HN 71 GLU HG- 4.50 (# 2342:25 Unique 1.99, 2.79 A)
&rst
ixpk= 2342, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1107,1108,
&end
#
# 72 CYS HN 72 CYS HA 3.50 (# 2343:25 Unique 2.93, 2.94 A)
&rst
ixpk= 2343, nxpk= 25, iat=1115,1117, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 CYS HB+ 72 CYS HA 2.80 (# 2345:25 Unique 2.44, 2.76 A)
&rst
ixpk= 2345, nxpk= 25, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1119,1120,
&end
#
# 45 ALA MB 72 CYS HA 4.50 (# 2346:25 Unique 4.11, 4.71 A)
&rst
ixpk= 2346, nxpk= 25, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 715, 716, 717,
&end
#
# 68 ALA MB 72 CYS HB+ 3.50 (# 2347:25 Unique 2.30, 3.39 A)
&rst
ixpk= 2347, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1056,1057,1058,
igr2=1119,1120,
&end
#
# 45 ALA MB 72 CYS HB+ 2.80 (# 2348:25 Unique 2.34, 3.37 A)
&rst
ixpk= 2348, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 715, 716, 717,
igr2=1119,1120,
&end
#
# 72 CYS HA 72 CYS HB+ 2.80 (# 2349:25 Unique 2.44, 2.76 A)
&rst
ixpk= 2349, nxpk= 25, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1119,1120,
&end
#
# 72 CYS HN 72 CYS HB+ 3.50 (# 2350:25 Unique 2.41, 3.04 A)
&rst
ixpk= 2350, nxpk= 25, iat=1115, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1119,1120,
&end
#
# 73 GLY HN 72 CYS HB+ 4.50 (# 2351:25 Unique 3.46, 3.96 A)
&rst
ixpk= 2351, nxpk= 25, iat=1126, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1119,1120,
&end
#
# 75 LEU HN 74 ALA HA 2.80 (# 2360:25 Unique 2.18, 2.23 A)
&rst
ixpk= 2360, nxpk= 25, iat=1143,1135, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:2361 74 ALA HA 3.50 (# 2361:25 Single Ambig)
&rst
ixpk= 2361, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 614,1162,
&end
#
# 74 ALA HN 74 ALA HA 3.50 (# 2362:25 Unique 2.92, 2.93 A)
&rst
ixpk= 2362, nxpk= 25, iat=1133,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:2363 74 ALA HA 5.50 (# 2363:25 Single Ambig)
&rst
ixpk= 2363, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1126,1621,
&end
#
# 38 ILE HA 74 ALA HA 3.50 (# 2364:25 Unique 2.27, 2.35 A)
&rst
ixpk= 2364, nxpk= 25, iat= 597,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 SER HB+ 74 ALA HA 5.50 (# 2365:25 Unique 3.18, 3.97 A)
&rst
ixpk= 2365, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1604,1605,
&end
#
# 0 AMB 25-2:2366 74 ALA HA 5.50 (# 2366:25 Single Ambig)
&rst
ixpk= 2366, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1604,1605, 658, 659,
&end
#
# 38 ILE HB 74 ALA HA 4.50 (# 2367:25 Unique 3.61, 3.65 A)
&rst
ixpk= 2367, nxpk= 25, iat= 599,1135, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2368 74 ALA HA 3.50 (# 2368:25 Single Ambig)
&rst
ixpk= 2368, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1150,1147,1148,
&end
#
# 74 ALA MB 74 ALA HA 2.80 (# 2369:25 Unique 2.40, 2.65 A)
&rst
ixpk= 2369, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1137,1138,1139,
&end
#
# 75 LEU MDX 74 ALA HA 5.50 (# 2370:25 Unique 4.67, 5.71 A)
&rst
ixpk= 2370, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 38 ILE QG2 74 ALA HA 2.80 (# 2371:25 Unique 2.06, 3.32 A)
&rst
ixpk= 2371, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 601, 602, 603,
&end
#
# 38 ILE QG2 74 ALA MB 4.50 (# 2372:25 Unique 3.20, 4.87 A)
&rst
ixpk= 2372, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 601, 602, 603,
igr2=1137,1138,1139,
&end
#
# 74 ALA HA 74 ALA MB 2.80 (# 2373:25 Unique 2.40, 2.65 A)
&rst
ixpk= 2373, nxpk= 25, iat=1135, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1137,1138,1139,
&end
#
# 106 ALA HA 74 ALA MB 2.80 (# 2374:25 Unique 3.06, 3.68 A)
&rst
ixpk= 2374, nxpk= 25, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1137,1138,1139,
&end
#
# 70 PRO HA 74 ALA MB 2.80 (# 2375:25 Unique 2.22, 2.74 A)
&rst
ixpk= 2375, nxpk= 25, iat=1096, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1137,1138,1139,
&end
#
# 67 HIS HD2 74 ALA MB 5.50 (# 2376:25 Unique 5.36, 6.28 A)
&rst
ixpk= 2376, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1137,1138,1139,
&end
#
# 0 AMB 25-2:2377 74 ALA MB 4.50 (# 2377:25 Single Ambig)
&rst
ixpk= 2377, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1126,1621,
igr2=1137,1138,1139,
&end
#
# 74 ALA HN 74 ALA MB 3.50 (# 2378:25 Unique 2.45, 2.93 A)
&rst
ixpk= 2378, nxpk= 25, iat=1133, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1137,1138,1139,
&end
#
# 105 ALA HN 74 ALA MB 2.80 (# 2379:25 Unique 2.29, 2.89 A)
&rst
ixpk= 2379, nxpk= 25, iat=1611, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1137,1138,1139,
&end
#
# 76 LYS HN 75 LEU HA 3.50 (# 2381:25 Unique 3.54, 3.56 A)
&rst
ixpk= 2381, nxpk= 25, iat=1162,1145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:2383 75 LEU HA 2.80 (# 2383:25 Single Ambig)
&rst
ixpk= 2383, nxpk= 25, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1147,1148,1150,
&end
#
# 75 LEU MDX 75 LEU HB+ 2.80 (# 2385:25 Unique 2.42, 3.32 A)
&rst
ixpk= 2385, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1152,1153,1154,1156,1157,1158,
igr2=1147,1148,
&end
#
# 15 ILE QG2 15 ILE HB 2.80 (# 2386:25 Unique 2.32, 2.62 A)
&rst
ixpk= 2386, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 231, 232, 233,
&end
#
# 115 ILE HA 118 LEU HB- 5.50 (# 2388:25 Unique 2.48, 4.31 A)
&rst
ixpk= 2388, nxpk= 25, iat=1731, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1779,1780,
&end
#
# 0 AMB 25-2:2389 0 AMB 25-1:2389 2.80 (# 2389:25 Double Ambig)
&rst
ixpk= 2389, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1777,2005,
igr2=1779,1780,2007,2008,
&end
#
# 75 LEU HA 75 LEU HB+ 3.50 (# 2390:25 Unique 2.45, 2.75 A)
&rst
ixpk= 2390, nxpk= 25, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1147,1148,
&end
#
# 75 LEU HA 75 LEU HB- 2.80 (# 2391:25 Unique 2.45, 2.75 A)
&rst
ixpk= 2391, nxpk= 25, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1147,1148,
&end
#
# 133 THR HN 132 LEU HB+ 4.50 (# 2392:25 Unique 3.18, 3.78 A)
&rst
ixpk= 2392, nxpk= 25, iat=2022, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2007,2008,
&end
#
# 132 LEU HN 132 LEU HB+ 3.50 (# 2393:25 Unique 2.41, 3.03 A)
&rst
ixpk= 2393, nxpk= 25, iat=2003, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2007,2008,
&end
#
# 118 LEU HN 118 LEU HB- 3.50 (# 2394:25 Unique 2.37, 3.08 A)
&rst
ixpk= 2394, nxpk= 25, iat=1775, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1779,1780,
&end
#
# 0 AMB 25-2:2395 0 AMB 25-1:2395 3.50 (# 2395:25 Double Ambig)
&rst
ixpk= 2395, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1143,1794,
igr2=1147,1148,1779,1780,
&end
#
# 0 AMB 25-2:2396 0 AMB 25-1:2396 2.80 (# 2396:25 Double Ambig)
&rst
ixpk= 2396, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 507,1143,
igr2= 511, 512,1147,1148,
&end
#
# 76 LYS HN 75 LEU HB+ 3.50 (# 2397:25 Unique 2.75, 3.35 A)
&rst
ixpk= 2397, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1147,1148,
&end
#
# 76 LYS HN 75 LEU HB- 3.50 (# 2398:25 Unique 2.75, 3.35 A)
&rst
ixpk= 2398, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1147,1148,
&end
#
# 75 LEU HN 75 LEU HG 3.50 (# 2399:25 Unique 2.88, 2.97 A)
&rst
ixpk= 2399, nxpk= 25, iat=1143,1150, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:2400 75 LEU HG 3.50 (# 2400:25 Single Ambig)
&rst
ixpk= 2400, nxpk= 25, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 614,1162,
&end
#
# 38 ILE HA 75 LEU HG 2.80 (# 2401:25 Unique 2.49, 2.64 A)
&rst
ixpk= 2401, nxpk= 25, iat= 597,1150, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 LEU HA 75 LEU HG 3.50 (# 2402:25 Unique 3.18, 3.20 A)
&rst
ixpk= 2402, nxpk= 25, iat=1145,1150, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ALA HA 75 LEU HG 3.50 (# 2403:25 Unique 3.51, 3.53 A)
&rst
ixpk= 2403, nxpk= 25, iat=1135,1150, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 LEU MDY 75 LEU HG 2.80 (# 2404:25 Unique 2.43, 2.66 A)
&rst
ixpk= 2404, nxpk= 25, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 75 LEU HB+ 75 LEU MDY 2.80 (# 2406:25 Unique 2.42, 3.32 A)
&rst
ixpk= 2406, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1147,1148,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 0 AMB 25-2:2407 75 LEU MDY 2.80 (# 2407:25 Single Ambig)
&rst
ixpk= 2407, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1147,1148,1150,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 75 LEU HA 75 LEU MDY 2.80 (# 2408:25 Unique 2.27, 3.91 A)
&rst
ixpk= 2408, nxpk= 25, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 14 VAL HA 14 VAL MGY 2.80 (# 2409:25 Unique 2.47, 3.17 A)
&rst
ixpk= 2409, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 38 ILE HA 75 LEU MDY 4.50 (# 2410:25 Unique 3.48, 4.75 A)
&rst
ixpk= 2410, nxpk= 25, iat= 597, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 75 LEU HN 75 LEU MDY 4.50 (# 2411:25 Unique 4.04, 4.87 A)
&rst
ixpk= 2411, nxpk= 25, iat=1143, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1152,1153,1154,1156,1157,1158,
&end
#
# 77 THR HN 76 LYS HA 2.80 (# 2413:25 Unique 2.36, 2.43 A)
&rst
ixpk= 2413, nxpk= 25, iat=1184,1164, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 76 LYS HN 76 LYS HA 2.80 (# 2414:25 Unique 2.91, 2.93 A)
&rst
ixpk= 2414, nxpk= 25, iat=1162,1164, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 77 THR HA 76 LYS HA 5.50 (# 2415:25 Unique 4.31, 4.37 A)
&rst
ixpk= 2415, nxpk= 25, iat=1186,1164, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2416 76 LYS HA 4.50 (# 2416:25 Single Ambig)
&rst
ixpk= 2416, nxpk= 25, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 576,1188,
&end
#
# 76 LYS HB+ 76 LYS HA 2.80 (# 2417:25 Unique 2.39, 2.75 A)
&rst
ixpk= 2417, nxpk= 25, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1166,1167,
&end
#
# 0 AMB 25-2:2418 76 LYS HA 2.80 (# 2418:25 Single Ambig)
&rst
ixpk= 2418, nxpk= 25, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1166,1167,1169,1170,
&end
#
# 106 ALA MB 76 LYS HA 2.80 (# 2419:25 Unique 2.23, 3.40 A)
&rst
ixpk= 2419, nxpk= 25, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1625,1626,1627,
&end
#
# 76 LYS HE- 76 LYS HB+ 5.50 (# 2424:25 Unique 2.14, 3.74 A)
&rst
ixpk= 2424, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1175,1176,
igr2=1166,1167,
&end
#
# 76 LYS HE- 76 LYS HB- 5.50 (# 2425:25 Unique 2.14, 3.74 A)
&rst
ixpk= 2425, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1175,1176,
igr2=1166,1167,
&end
#
# 76 LYS HE+ 76 LYS HB+ 5.50 (# 2426:25 Unique 2.14, 3.74 A)
&rst
ixpk= 2426, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1175,1176,
igr2=1166,1167,
&end
#
# 76 LYS HE+ 76 LYS HB- 5.50 (# 2427:25 Unique 2.14, 3.74 A)
&rst
ixpk= 2427, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1175,1176,
igr2=1166,1167,
&end
#
# 37 TYR HB- 76 LYS HB+ 5.50 (# 2428:25 Unique 3.11, 4.65 A)
&rst
ixpk= 2428, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 578, 579,
igr2=1166,1167,
&end
#
# 37 TYR HB- 76 LYS HB- 5.50 (# 2429:25 Unique 3.11, 4.65 A)
&rst
ixpk= 2429, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 578, 579,
igr2=1166,1167,
&end
#
# 37 TYR HA 76 LYS HB+ 3.50 (# 2430:25 Unique 2.01, 2.93 A)
&rst
ixpk= 2430, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1166,1167,
&end
#
# 76 LYS HA 76 LYS HB+ 3.50 (# 2431:25 Unique 2.39, 2.75 A)
&rst
ixpk= 2431, nxpk= 25, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1166,1167,
&end
#
# 37 TYR HA 76 LYS HB- 3.50 (# 2432:25 Unique 2.01, 2.93 A)
&rst
ixpk= 2432, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1166,1167,
&end
#
# 76 LYS HA 76 LYS HB- 3.50 (# 2433:25 Unique 2.39, 2.75 A)
&rst
ixpk= 2433, nxpk= 25, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1166,1167,
&end
#
# 37 TYR HD 76 LYS HB+ 4.50 (# 2435:25 Unique 2.23, 4.17 A)
&rst
ixpk= 2435, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 582, 591,
igr2=1166,1167,
&end
#
# 37 TYR HD 76 LYS HB- 4.50 (# 2437:25 Unique 2.23, 4.17 A)
&rst
ixpk= 2437, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 582, 591,
igr2=1166,1167,
&end
#
# 76 LYS HN 76 LYS HB+ 4.50 (# 2440:25 Unique 2.73, 3.34 A)
&rst
ixpk= 2440, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1166,1167,
&end
#
# 77 THR HN 76 LYS HB+ 4.50 (# 2441:25 Unique 2.46, 3.20 A)
&rst
ixpk= 2441, nxpk= 25, iat=1184, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1166,1167,
&end
#
# 76 LYS HN 76 LYS HB- 4.50 (# 2442:25 Unique 2.73, 3.34 A)
&rst
ixpk= 2442, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1166,1167,
&end
#
# 77 THR HN 76 LYS HB- 4.50 (# 2443:25 Unique 2.46, 3.20 A)
&rst
ixpk= 2443, nxpk= 25, iat=1184, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1166,1167,
&end
#
# 75 LEU HN 76 LYS HB- 5.50 (# 2444:25 Unique 4.43, 5.15 A)
&rst
ixpk= 2444, nxpk= 25, iat=1143, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1166,1167,
&end
#
# 75 LEU HN 76 LYS HB+ 5.50 (# 2445:25 Unique 4.43, 5.15 A)
&rst
ixpk= 2445, nxpk= 25, iat=1143, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1166,1167,
&end
#
# 76 LYS HA 76 LYS HG- 3.50 (# 2446:25 Unique 2.49, 2.98 A)
&rst
ixpk= 2446, nxpk= 25, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1169,1170,
&end
#
# 37 TYR HA 76 LYS HG- 3.50 (# 2447:25 Unique 2.46, 3.59 A)
&rst
ixpk= 2447, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1169,1170,
&end
#
# 33 LEU HA 38 ILE HG1+ 5.50 (# 2448:25 Unique 2.16, 2.37 A)
&rst
ixpk= 2448, nxpk= 25, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 605, 606,
&end
#
# 76 LYS HA 76 LYS HG+ 4.50 (# 2449:25 Unique 2.49, 2.98 A)
&rst
ixpk= 2449, nxpk= 25, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1169,1170,
&end
#
# 76 LYS HE+ 76 LYS HG+ 5.50 (# 2450:25 Unique 2.37, 3.19 A)
&rst
ixpk= 2450, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1175,1176,
igr2=1169,1170,
&end
#
# 76 LYS HE+ 76 LYS HG- 4.50 (# 2451:25 Unique 2.37, 3.19 A)
&rst
ixpk= 2451, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1175,1176,
igr2=1169,1170,
&end
#
# 76 LYS HE- 76 LYS HG+ 4.50 (# 2452:25 Unique 2.37, 3.19 A)
&rst
ixpk= 2452, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1175,1176,
igr2=1169,1170,
&end
#
# 76 LYS HE- 76 LYS HG- 4.50 (# 2453:25 Unique 2.37, 3.19 A)
&rst
ixpk= 2453, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1175,1176,
igr2=1169,1170,
&end
#
# 76 LYS HE+ 76 LYS HD- 3.50 (# 2454:25 Unique 2.36, 2.73 A)
&rst
ixpk= 2454, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1175,1176,
igr2=1172,1173,
&end
#
# 76 LYS HE- 76 LYS HD- 3.50 (# 2455:25 Unique 2.36, 2.73 A)
&rst
ixpk= 2455, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1175,1176,
igr2=1172,1173,
&end
#
# 76 LYS HA 76 LYS HD- 4.50 (# 2456:25 Unique 4.21, 4.63 A)
&rst
ixpk= 2456, nxpk= 25, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1172,1173,
&end
#
# 0 AMB 25-2:2457 76 LYS HD- 4.50 (# 2457:25 Single Ambig)
&rst
ixpk= 2457, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 569, 570, 582, 591,
igr2=1172,1173,
&end
#
# 76 LYS HN 76 LYS HD- 5.50 (# 2458:25 Unique 4.61, 5.36 A)
&rst
ixpk= 2458, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1172,1173,
&end
#
# 0 AMB 25-2:2459 0 AMB 25-1:2459 5.50 (# 2459:25 Double Ambig)
&rst
ixpk= 2459, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 569, 570, 582, 591,
igr2=1175,1176,1175,1176,
&end
#
# 0 AMB 25-2:2460 76 LYS HE- 5.50 (# 2460:25 Single Ambig)
&rst
ixpk= 2460, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 569, 570, 582, 591,
igr2=1175,1176,
&end
#
# 0 AMB 25-2:2464 0 AMB 25-1:2464 5.50 (# 2464:25 Double Ambig)
&rst
ixpk= 2464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 562,1164,
igr2=1175,1176,1175,1176,
&end
#
# 0 AMB 25-2:2465 76 LYS HE- 5.50 (# 2465:25 Single Ambig)
&rst
ixpk= 2465, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 562,1164,
igr2=1175,1176,
&end
#
# 37 TYR HA 76 LYS HE+ 4.50 (# 2466:25 Unique 2.31, 3.50 A)
&rst
ixpk= 2466, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1175,1176,
&end
#
# 37 TYR HA 76 LYS HE- 4.50 (# 2467:25 Unique 2.31, 3.50 A)
&rst
ixpk= 2467, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1175,1176,
&end
#
# 76 LYS HB+ 76 LYS HE+ 4.50 (# 2470:25 Unique 2.14, 3.74 A)
&rst
ixpk= 2470, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1166,1167,
igr2=1175,1176,
&end
#
# 0 AMB 25-2:2471 0 AMB 25-1:2471 2.80 (# 2471:25 Double Ambig)
&rst
ixpk= 2471, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1166,1167,1172,1173,1169,1170,
igr2=1175,1176,1175,1176,1175,1176,
&end
#
# 76 LYS HB+ 76 LYS HE- 4.50 (# 2473:25 Unique 2.14, 3.74 A)
&rst
ixpk= 2473, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1166,1167,
igr2=1175,1176,
&end
#
# 77 THR MG2 77 THR HA 2.80 (# 2474:25 Unique 2.54, 3.16 A)
&rst
ixpk= 2474, nxpk= 25, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1190,1191,1192,
&end
#
# 104 SER HB- 77 THR HA 5.50 (# 2475:25 Unique 4.02, 4.83 A)
&rst
ixpk= 2475, nxpk= 25, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1604,1605,
&end
#
# 104 SER HB+ 77 THR HA 4.50 (# 2476:25 Unique 4.02, 4.83 A)
&rst
ixpk= 2476, nxpk= 25, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1604,1605,
&end
#
# 0 AMB 25-2:2479 77 THR HA 4.50 (# 2479:25 Single Ambig)
&rst
ixpk= 2479, nxpk= 25, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1164,1602,
&end
#
# 106 ALA HN 77 THR HA 4.50 (# 2482:25 Unique 3.07, 3.19 A)
&rst
ixpk= 2482, nxpk= 25, iat=1621,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 THR HN 77 THR HA 3.50 (# 2483:25 Unique 2.84, 2.87 A)
&rst
ixpk= 2483, nxpk= 25, iat=1184,1186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 SER HN 77 THR HA 4.50 (# 2484:25 Unique 4.18, 4.23 A)
&rst
ixpk= 2484, nxpk= 25, iat=1600,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 GLY HN 77 THR HA 2.80 (# 2485:25 Unique 2.18, 2.20 A)
&rst
ixpk= 2485, nxpk= 25, iat=1198,1186, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 GLY HN 77 THR HB 5.50 (# 2486:25 Unique 4.28, 4.36 A)
&rst
ixpk= 2486, nxpk= 25, iat=1198,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 THR HN 77 THR HB 3.50 (# 2487:25 Unique 2.23, 2.27 A)
&rst
ixpk= 2487, nxpk= 25, iat=1184,1188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 ALA HN 77 THR HB 5.50 (# 2488:25 Unique 3.76, 3.84 A)
&rst
ixpk= 2488, nxpk= 25, iat=1621,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 THR HA 77 THR HB 4.50 (# 2489:25 Unique 3.02, 3.03 A)
&rst
ixpk= 2489, nxpk= 25, iat=1186,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 ALA HA 77 THR HB 4.50 (# 2490:25 Unique 3.86, 3.92 A)
&rst
ixpk= 2490, nxpk= 25, iat=1613,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2492 77 THR HB 5.50 (# 2492:25 Single Ambig)
&rst
ixpk= 2492, nxpk= 25, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1164,1667,
&end
#
# 77 THR MG2 77 THR HB 2.80 (# 2494:25 Unique 2.39, 2.65 A)
&rst
ixpk= 2494, nxpk= 25, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1190,1191,1192,
&end
#
# 0 AMB 25-2:2495 77 THR HB 4.50 (# 2495:25 Single Ambig)
&rst
ixpk= 2495, nxpk= 25, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1625,1626,1627,1169,1170,
&end
#
# 78 GLY HN 77 THR MG2 3.50 (# 2496:25 Unique 3.05, 3.73 A)
&rst
ixpk= 2496, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1190,1191,1192,
&end
#
# 77 THR HN 77 THR MG2 4.50 (# 2497:25 Unique 4.19, 4.39 A)
&rst
ixpk= 2497, nxpk= 25, iat=1184, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1190,1191,1192,
&end
#
# 0 AMB 25-2:2498 77 THR MG2 4.50 (# 2498:25 Single Ambig)
&rst
ixpk= 2498, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1621,1719,
igr2=1190,1191,1192,
&end
#
# 6 TYR HD 77 THR MG2 4.50 (# 2500:25 Unique 2.36, 5.34 A)
&rst
ixpk= 2500, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 95, 104,
igr2=1190,1191,1192,
&end
#
# 77 THR HA 77 THR MG2 3.50 (# 2505:25 Unique 2.54, 3.16 A)
&rst
ixpk= 2505, nxpk= 25, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1190,1191,1192,
&end
#
# 105 ALA HA 77 THR MG2 3.50 (# 2506:25 Unique 2.39, 3.40 A)
&rst
ixpk= 2506, nxpk= 25, iat=1613, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1190,1191,1192,
&end
#
# 78 GLY HA+ 77 THR MG2 4.50 (# 2508:25 Unique 3.58, 5.18 A)
&rst
ixpk= 2508, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1200,1201,
igr2=1190,1191,1192,
&end
#
# 110 SER HA 77 THR MG2 4.50 (# 2509:25 Unique 3.48, 4.56 A)
&rst
ixpk= 2509, nxpk= 25, iat=1667, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1190,1191,1192,
&end
#
# 77 THR HB 77 THR MG2 2.80 (# 2510:25 Unique 2.39, 2.65 A)
&rst
ixpk= 2510, nxpk= 25, iat=1188, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1190,1191,1192,
&end
#
# 0 AMB 25-2:2511 77 THR MG2 5.50 (# 2511:25 Single Ambig)
&rst
ixpk= 2511, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1678,1714,1715,
igr2=1190,1191,1192,
&end
#
# 110 SER HB+ 77 THR MG2 3.50 (# 2515:25 Unique 2.10, 3.56 A)
&rst
ixpk= 2515, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1669,1670,
igr2=1190,1191,1192,
&end
#
# 0 AMB 25-2:2517 77 THR MG2 5.50 (# 2517:25 Single Ambig)
&rst
ixpk= 2517, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1721,1604,1605,
igr2=1190,1191,1192,
&end
#
# 114 ALA MB 77 THR MG2 4.50 (# 2518:25 Unique 3.10, 4.36 A)
&rst
ixpk= 2518, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1723,1724,1725,
igr2=1190,1191,1192,
&end
#
# 103 LEU MDY 77 THR MG2 4.50 (# 2519:25 Unique 3.61, 6.33 A)
&rst
ixpk= 2519, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1190,1191,1192,
&end
#
# 32 LEU MDY 78 GLY HA+ 4.50 (# 2520:25 Unique 2.79, 5.17 A)
&rst
ixpk= 2520, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1200,1201,
&end
#
# 32 LEU MDY 78 GLY HA- 4.50 (# 2521:25 Unique 2.79, 5.17 A)
&rst
ixpk= 2521, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1200,1201,
&end
#
# 79 MET HB- 79 MET HA 3.50 (# 2523:25 Unique 2.50, 2.80 A)
&rst
ixpk= 2523, nxpk= 25, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1209,1210,
&end
#
# 32 LEU MDX 79 MET HA 3.50 (# 2524:25 Unique 2.37, 3.89 A)
&rst
ixpk= 2524, nxpk= 25, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 79 MET HG- 79 MET HA 2.80 (# 2526:25 Unique 2.26, 2.73 A)
&rst
ixpk= 2526, nxpk= 25, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1212,1213,
&end
#
# 79 MET HG+ 79 MET HA 3.50 (# 2527:25 Unique 2.26, 2.73 A)
&rst
ixpk= 2527, nxpk= 25, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1212,1213,
&end
#
# 0 AMB 25-2:2528 79 MET HA 5.50 (# 2528:25 Single Ambig)
&rst
ixpk= 2528, nxpk= 25, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1226,1227,1604,1605,1039,1040,
&end
#
# 103 LEU HA 79 MET HA 3.50 (# 2529:25 Unique 1.95, 2.08 A)
&rst
ixpk= 2529, nxpk= 25, iat=1583,1207, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 MET HN 79 MET HA 4.50 (# 2530:25 Unique 2.93, 2.95 A)
&rst
ixpk= 2530, nxpk= 25, iat=1205,1207, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 GLY HN 79 MET HA 5.50 (# 2531:25 Unique 4.59, 4.78 A)
&rst
ixpk= 2531, nxpk= 25, iat=1574,1207, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 SER HN 79 MET HA 2.80 (# 2532:25 Unique 2.41, 2.47 A)
&rst
ixpk= 2532, nxpk= 25, iat=1222,1207, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 104 SER HN 79 MET HA 4.50 (# 2533:25 Unique 3.37, 3.48 A)
&rst
ixpk= 2533, nxpk= 25, iat=1600,1207, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 SER HN 79 MET HB+ 4.50 (# 2534:25 Unique 2.27, 3.03 A)
&rst
ixpk= 2534, nxpk= 25, iat=1222, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 80 SER HN 79 MET HB- 4.50 (# 2535:25 Unique 2.27, 3.03 A)
&rst
ixpk= 2535, nxpk= 25, iat=1222, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 79 MET HN 79 MET HB- 4.50 (# 2536:25 Unique 2.64, 3.31 A)
&rst
ixpk= 2536, nxpk= 25, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 79 MET HN 79 MET HB+ 4.50 (# 2537:25 Unique 2.64, 3.31 A)
&rst
ixpk= 2537, nxpk= 25, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 0 AMB 25-2:2542 79 MET HB- 5.50 (# 2542:25 Single Ambig)
&rst
ixpk= 2542, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 116, 124, 108,
igr2=1209,1210,
&end
#
# 79 MET HA 79 MET HB+ 3.50 (# 2545:25 Unique 2.50, 2.80 A)
&rst
ixpk= 2545, nxpk= 25, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1209,1210,
&end
#
# 79 MET HA 79 MET HB- 4.50 (# 2546:25 Unique 2.50, 2.80 A)
&rst
ixpk= 2546, nxpk= 25, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 103 LEU HA 79 MET HB- 5.50 (# 2547:25 Unique 3.60, 4.13 A)
&rst
ixpk= 2547, nxpk= 25, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1209,1210,
&end
#
# 103 LEU HA 79 MET HB+ 5.50 (# 2548:25 Unique 3.60, 4.13 A)
&rst
ixpk= 2548, nxpk= 25, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1209,1210,
&end
#
# 6 TYR HB+ 79 MET HB- 5.50 (# 2549:25 Unique 2.29, 3.36 A)
&rst
ixpk= 2549, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 91, 92,
igr2=1209,1210,
&end
#
# 79 MET HG+ 79 MET HB+ 3.50 (# 2551:25 Unique 2.28, 2.75 A)
&rst
ixpk= 2551, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1212,1213,
igr2=1209,1210,
&end
#
# 79 MET HG+ 79 MET HB- 3.50 (# 2552:25 Unique 2.28, 2.75 A)
&rst
ixpk= 2552, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1212,1213,
igr2=1209,1210,
&end
#
# 79 MET HG- 79 MET HB- 3.50 (# 2553:25 Unique 2.28, 2.75 A)
&rst
ixpk= 2553, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1212,1213,
igr2=1209,1210,
&end
#
# 103 LEU HG 79 MET HB+ 4.50 (# 2557:25 Unique 4.34, 4.72 A)
&rst
ixpk= 2557, nxpk= 25, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 0 AMB 25-2:2558 0 AMB 25-1:2558 4.50 (# 2558:25 Double Ambig)
&rst
ixpk= 2558, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1561,1562,1563, 54, 55, 56, 58, 59, 60,
igr2=1209,1210,1209,1210,
&end
#
# 103 LEU MDY 79 MET HB+ 5.50 (# 2559:25 Unique 5.37, 6.80 A)
&rst
ixpk= 2559, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1209,1210,
&end
#
# 103 LEU HG 79 MET HB- 4.50 (# 2560:25 Unique 4.34, 4.72 A)
&rst
ixpk= 2560, nxpk= 25, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 0 AMB 25-2:2561 79 MET HB- 4.50 (# 2561:25 Single Ambig)
&rst
ixpk= 2561, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1561,1562,1563, 54, 55, 56, 58, 59, 60,
igr2=1209,1210,
&end
#
# 0 AMB 25-2:2562 79 MET HB- 5.50 (# 2562:25 Single Ambig)
&rst
ixpk= 2562, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1784,1785,1786,1788,1789,1790,1242,1243,1244,1246,
1247,1248,
igr2=1209,1210,
&end
#
# 103 LEU MDY 79 MET HB- 5.50 (# 2563:25 Unique 5.37, 6.80 A)
&rst
ixpk= 2563, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1209,1210,
&end
#
# 79 MET HB- 79 MET HG+ 4.50 (# 2566:25 Unique 2.28, 2.75 A)
&rst
ixpk= 2566, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1209,1210,
igr2=1212,1213,
&end
#
# 79 MET HB- 79 MET HG- 3.50 (# 2567:25 Unique 2.28, 2.75 A)
&rst
ixpk= 2567, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1209,1210,
igr2=1212,1213,
&end
#
# 103 LEU MDY 79 MET HG+ 3.50 (# 2568:25 Unique 3.22, 4.62 A)
&rst
ixpk= 2568, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1212,1213,
&end
#
# 103 LEU MDY 79 MET HG- 3.50 (# 2569:25 Unique 3.22, 4.62 A)
&rst
ixpk= 2569, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1212,1213,
&end
#
# 0 AMB 25-2:2570 79 MET HG- 4.50 (# 2570:25 Single Ambig)
&rst
ixpk= 2570, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1561,1562,1563, 54, 55, 56, 58, 59, 60,
igr2=1212,1213,
&end
#
# 0 AMB 25-2:2571 0 AMB 25-1:2571 4.50 (# 2571:25 Double Ambig)
&rst
ixpk= 2571, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1561,1562,1563, 54, 55, 56, 58, 59, 60,
igr2=1212,1213,1212,1213,
&end
#
# 103 LEU HG 79 MET HG+ 3.50 (# 2572:25 Unique 2.06, 2.45 A)
&rst
ixpk= 2572, nxpk= 25, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1212,1213,
&end
#
# 103 LEU HG 79 MET HG- 3.50 (# 2573:25 Unique 2.06, 2.45 A)
&rst
ixpk= 2573, nxpk= 25, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1212,1213,
&end
#
# 0 AMB 25-2:2575 0 AMB 25-1:2575 2.80 (# 2575:25 Double Ambig)
&rst
ixpk= 2575, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1209,1210,1585,1586,
igr2=1212,1213,1212,1213,
&end
#
# 0 AMB 25-2:2576 79 MET HG- 3.50 (# 2576:25 Single Ambig)
&rst
ixpk= 2576, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1209,1210,1585,1586,
igr2=1212,1213,
&end
#
# 6 TYR HB+ 79 MET HG- 5.50 (# 2579:25 Unique 2.01, 3.52 A)
&rst
ixpk= 2579, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 91, 92,
igr2=1212,1213,
&end
#
# 103 LEU HA 79 MET HG- 4.50 (# 2580:25 Unique 1.94, 2.69 A)
&rst
ixpk= 2580, nxpk= 25, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1212,1213,
&end
#
# 79 MET HA 79 MET HG- 4.50 (# 2581:25 Unique 2.26, 2.73 A)
&rst
ixpk= 2581, nxpk= 25, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1212,1213,
&end
#
# 103 LEU HA 79 MET HG+ 4.50 (# 2582:25 Unique 1.94, 2.69 A)
&rst
ixpk= 2582, nxpk= 25, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1212,1213,
&end
#
# 79 MET HA 79 MET HG+ 3.50 (# 2583:25 Unique 2.26, 2.73 A)
&rst
ixpk= 2583, nxpk= 25, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1212,1213,
&end
#
# 79 MET HN 79 MET HG+ 5.50 (# 2584:25 Unique 3.42, 3.94 A)
&rst
ixpk= 2584, nxpk= 25, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1212,1213,
&end
#
# 79 MET HN 79 MET HG- 4.50 (# 2585:25 Unique 3.42, 3.94 A)
&rst
ixpk= 2585, nxpk= 25, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1212,1213,
&end
#
# 80 SER HN 79 MET HG- 5.50 (# 2586:25 Unique 3.64, 4.29 A)
&rst
ixpk= 2586, nxpk= 25, iat=1222, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1212,1213,
&end
#
# 80 SER HN 79 MET HG+ 4.50 (# 2587:25 Unique 3.64, 4.29 A)
&rst
ixpk= 2587, nxpk= 25, iat=1222, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1212,1213,
&end
#
# 104 SER HN 79 MET HG+ 5.50 (# 2588:25 Unique 3.29, 3.87 A)
&rst
ixpk= 2588, nxpk= 25, iat=1600, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1212,1213,
&end
#
# 104 SER HN 79 MET HG- 5.50 (# 2589:25 Unique 3.29, 3.87 A)
&rst
ixpk= 2589, nxpk= 25, iat=1600, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1212,1213,
&end
#
# 81 LEU HN 80 SER HA 2.80 (# 2590:25 Unique 2.29, 2.42 A)
&rst
ixpk= 2590, nxpk= 25, iat=1233,1224, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 SER HN 80 SER HA 4.50 (# 2591:25 Unique 2.87, 2.92 A)
&rst
ixpk= 2591, nxpk= 25, iat=1222,1224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 PHE HD 80 SER HA 3.50 (# 2593:25 Unique 2.04, 4.36 A)
&rst
ixpk= 2593, nxpk= 25, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 116, 124,
&end
#
# 0 AMB 25-2:2597 80 SER HA 5.50 (# 2597:25 Single Ambig)
&rst
ixpk= 2597, nxpk= 25, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1235,1207,
&end
#
# 80 SER HB+ 80 SER HA 2.80 (# 2598:25 Unique 2.35, 2.66 A)
&rst
ixpk= 2598, nxpk= 25, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1226,1227,
&end
#
# 11 SER HB+ 80 SER HA 3.50 (# 2599:25 Unique 2.07, 3.18 A)
&rst
ixpk= 2599, nxpk= 25, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 172, 173,
&end
#
# 80 SER HB- 80 SER HA 3.50 (# 2600:25 Unique 2.35, 2.66 A)
&rst
ixpk= 2600, nxpk= 25, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1226,1227,
&end
#
# 7 PHE HB+ 80 SER HA 4.50 (# 2601:25 Unique 2.61, 4.82 A)
&rst
ixpk= 2601, nxpk= 25, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 112, 113,
&end
#
# 81 LEU HB- 80 SER HA 4.50 (# 2602:25 Unique 3.79, 4.72 A)
&rst
ixpk= 2602, nxpk= 25, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1237,1238,
&end
#
# 0 AMB 25-2:2603 80 SER HA 4.50 (# 2603:25 Single Ambig)
&rst
ixpk= 2603, nxpk= 25, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1237,1238,1209,1210,
&end
#
# 0 AMB 25-2:2605 80 SER HA 5.50 (# 2605:25 Single Ambig)
&rst
ixpk= 2605, nxpk= 25, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 189, 190, 497, 498, 499, 501, 502, 503,1240,
&end
#
# 32 LEU MDY 80 SER HA 5.50 (# 2606:25 Unique 4.60, 5.89 A)
&rst
ixpk= 2606, nxpk= 25, iat= -1,1224, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 32 LEU MDY 80 SER HB+ 5.50 (# 2607:25 Unique 3.20, 5.11 A)
&rst
ixpk= 2607, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1226,1227,
&end
#
# 32 LEU MDY 80 SER HB- 5.50 (# 2608:25 Unique 3.20, 5.11 A)
&rst
ixpk= 2608, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1226,1227,
&end
#
# 0 AMB 25-2:2609 0 AMB 25-1:2609 5.50 (# 2609:25 Double Ambig)
&rst
ixpk= 2609, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1= 497, 498, 499, 501, 502, 503, 189, 190,
igr2=1226,1227,1226,1227,
&end
#
# 0 AMB 25-2:2610 80 SER HB- 4.50 (# 2610:25 Single Ambig)
&rst
ixpk= 2610, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 497, 498, 499, 501, 502, 503, 189, 190,
igr2=1226,1227,
&end
#
# 32 LEU HG 80 SER HB+ 5.50 (# 2611:25 Unique 2.33, 3.50 A)
&rst
ixpk= 2611, nxpk= 25, iat= 495, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1226,1227,
&end
#
# 32 LEU HG 80 SER HB- 4.50 (# 2612:25 Unique 2.33, 3.50 A)
&rst
ixpk= 2612, nxpk= 25, iat= 495, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1226,1227,
&end
#
# 0 AMB 25-2:2615 0 AMB 25-1:2615 4.50 (# 2615:25 Double Ambig)
&rst
ixpk= 2615, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 172, 173, 129, 130,
igr2=1226,1227,1226,1227,
&end
#
# 0 AMB 25-2:2617 80 SER HB- 4.50 (# 2617:25 Single Ambig)
&rst
ixpk= 2617, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 172, 173, 129, 130,
igr2=1226,1227,
&end
#
# 80 SER HA 80 SER HB+ 3.50 (# 2620:25 Unique 2.35, 2.66 A)
&rst
ixpk= 2620, nxpk= 25, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1226,1227,
&end
#
# 80 SER HA 80 SER HB- 3.50 (# 2622:25 Unique 2.35, 2.66 A)
&rst
ixpk= 2622, nxpk= 25, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1226,1227,
&end
#
# 80 SER HN 80 SER HB+ 5.50 (# 2625:25 Unique 2.83, 3.54 A)
&rst
ixpk= 2625, nxpk= 25, iat=1222, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1226,1227,
&end
#
# 80 SER HN 80 SER HB- 5.50 (# 2626:25 Unique 2.83, 3.54 A)
&rst
ixpk= 2626, nxpk= 25, iat=1222, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1226,1227,
&end
#
# 81 LEU HN 80 SER HB+ 4.50 (# 2627:25 Unique 2.33, 3.16 A)
&rst
ixpk= 2627, nxpk= 25, iat=1233, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1226,1227,
&end
#
# 81 LEU HN 80 SER HB- 4.50 (# 2628:25 Unique 2.33, 3.16 A)
&rst
ixpk= 2628, nxpk= 25, iat=1233, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1226,1227,
&end
#
# 0 AMB 25-2:2629 81 LEU HA 2.80 (# 2629:25 Single Ambig)
&rst
ixpk= 2629, nxpk= 25, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1252,1233,
&end
#
# 100 LEU HN 81 LEU HA 5.50 (# 2630:25 Unique 4.51, 4.67 A)
&rst
ixpk= 2630, nxpk= 25, iat=1536,1235, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 GLY HN 81 LEU HA 5.50 (# 2631:25 Unique 3.27, 3.46 A)
&rst
ixpk= 2631, nxpk= 25, iat=1574,1235, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2636 81 LEU HA 5.50 (# 2636:25 Single Ambig)
&rst
ixpk= 2636, nxpk= 25, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1256, 437, 438,
&end
#
# 81 LEU HB- 81 LEU HA 3.50 (# 2637:25 Unique 2.67, 2.88 A)
&rst
ixpk= 2637, nxpk= 25, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1237,1238,
&end
#
# 81 LEU HB+ 81 LEU HA 2.80 (# 2638:25 Unique 2.67, 2.88 A)
&rst
ixpk= 2638, nxpk= 25, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1237,1238,
&end
#
# 101 ILE QG2 81 LEU HA 4.50 (# 2639:25 Unique 3.81, 5.12 A)
&rst
ixpk= 2639, nxpk= 25, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1561,1562,1563,
&end
#
# 0 AMB 25-2:2640 81 LEU HA 2.80 (# 2640:25 Single Ambig)
&rst
ixpk= 2640, nxpk= 25, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1242,1243,1244,1246,1247,1248,1568,1569,1570,
&end
#
# 12 ILE QD1 81 LEU HB- 4.50 (# 2641:25 Unique 2.68, 4.31 A)
&rst
ixpk= 2641, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 192, 193, 194,
igr2=1237,1238,
&end
#
# 12 ILE QD1 81 LEU HB+ 4.50 (# 2642:25 Unique 2.68, 4.31 A)
&rst
ixpk= 2642, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 192, 193, 194,
igr2=1237,1238,
&end
#
# 0 AMB 25-2:2643 81 LEU HB- 2.80 (# 2643:25 Single Ambig)
&rst
ixpk= 2643, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1242,1243,1244,1246,1247,1248, 185, 186, 187,
igr2=1237,1238,
&end
#
# 0 AMB 25-2:2644 0 AMB 25-1:2644 2.80 (# 2644:25 Double Ambig)
&rst
ixpk= 2644, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1242,1243,1244,1246,1247,1248, 185, 186, 187,
igr2=1237,1238,1237,1238,
&end
#
# 81 LEU HA 81 LEU HB- 3.50 (# 2649:25 Unique 2.67, 2.88 A)
&rst
ixpk= 2649, nxpk= 25, iat=1235, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1237,1238,
&end
#
# 81 LEU HA 81 LEU HB+ 3.50 (# 2650:25 Unique 2.67, 2.88 A)
&rst
ixpk= 2650, nxpk= 25, iat=1235, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1237,1238,
&end
#
# 7 PHE HD 81 LEU HB+ 5.50 (# 2657:25 Unique 2.70, 6.19 A)
&rst
ixpk= 2657, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 116, 124,
igr2=1237,1238,
&end
#
# 7 PHE HD 81 LEU HB- 5.50 (# 2658:25 Unique 2.70, 6.19 A)
&rst
ixpk= 2658, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 116, 124,
igr2=1237,1238,
&end
#
# 0 AMB 25-2:2659 81 LEU HB- 3.50 (# 2659:25 Single Ambig)
&rst
ixpk= 2659, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1233,1252,
igr2=1237,1238,
&end
#
# 0 AMB 25-2:2660 0 AMB 25-1:2660 3.50 (# 2660:25 Double Ambig)
&rst
ixpk= 2660, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1233,1252,
igr2=1237,1238,1237,1238,
&end
#
# 101 ILE HG1+ 81 LEU HG 4.50 (# 2661:25 Unique 2.15, 3.08 A)
&rst
ixpk= 2661, nxpk= 25, iat= -1,1240, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1565,1566,
&end
#
# 140 LEU HG 0 AMB 25-1:2662 4.50 (# 2662:25 Single Ambig)
&rst
ixpk= 2662, nxpk= 25, iat=2129, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 189, 190,1240,
&end
#
# 0 AMB 25-2:2663 81 LEU MDX 4.50 (# 2663:25 Single Ambig)
&rst
ixpk= 2663, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1252,1233,
igr2=1242,1243,1244,1246,1247,1248,
&end
#
# 81 LEU HA 81 LEU MDX 3.50 (# 2666:25 Unique 2.04, 3.91 A)
&rst
ixpk= 2666, nxpk= 25, iat=1235, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1242,1243,1244,1246,1247,1248,
&end
#
# 101 ILE HA 81 LEU MDX 3.50 (# 2667:25 Unique 2.55, 5.26 A)
&rst
ixpk= 2667, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1242,1243,1244,1246,1247,1248,
&end
#
# 12 ILE QD1 81 LEU MDX 3.50 (# 2668:25 Unique 2.41, 5.62 A)
&rst
ixpk= 2668, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 192, 193, 194,
igr2=1242,1243,1244,1246,1247,1248,
&end
#
# 82 THR MG2 82 THR HA 2.80 (# 2670:25 Unique 2.44, 3.17 A)
&rst
ixpk= 2670, nxpk= 25, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1258,1259,1260,
&end
#
# 83 LEU HB+ 82 THR HA 4.50 (# 2671:25 Unique 4.24, 4.63 A)
&rst
ixpk= 2671, nxpk= 25, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1270,1271,
&end
#
# 13 SER HB- 82 THR HA 4.50 (# 2672:25 Unique 3.43, 4.73 A)
&rst
ixpk= 2672, nxpk= 25, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 202, 203,
&end
#
# 13 SER HB+ 82 THR HA 5.50 (# 2673:25 Unique 3.43, 4.73 A)
&rst
ixpk= 2673, nxpk= 25, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 202, 203,
&end
#
# 82 THR HB 82 THR HA 4.50 (# 2674:25 Unique 3.04, 3.06 A)
&rst
ixpk= 2674, nxpk= 25, iat=1256,1254, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 LEU HN 82 THR HA 2.80 (# 2678:25 Unique 2.16, 2.23 A)
&rst
ixpk= 2678, nxpk= 25, iat=1266,1254, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:2679 82 THR HA 2.80 (# 2679:25 Single Ambig)
&rst
ixpk= 2679, nxpk= 25, iat= -1,1254, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 198,1252,
&end
#
# 100 LEU HN 82 THR HB 4.50 (# 2680:25 Unique 2.94, 3.23 A)
&rst
ixpk= 2680, nxpk= 25, iat=1536,1256, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 THR HN 82 THR HB 3.50 (# 2681:25 Unique 2.53, 2.70 A)
&rst
ixpk= 2681, nxpk= 25, iat=1252,1256, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 LEU HN 82 THR HB 5.50 (# 2682:25 Unique 3.91, 4.12 A)
&rst
ixpk= 2682, nxpk= 25, iat=1266,1256, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2684 82 THR HB 4.50 (# 2684:25 Single Ambig)
&rst
ixpk= 2684, nxpk= 25, iat= -1,1256, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1235,1519,1538,
&end
#
# 0 AMB 25-2:2685 82 THR HB 4.50 (# 2685:25 Single Ambig)
&rst
ixpk= 2685, nxpk= 25, iat= -1,1256, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1254,1268,
&end
#
# 28 SER HA 82 THR HB 5.50 (# 2687:25 Unique 2.88, 3.34 A)
&rst
ixpk= 2687, nxpk= 25, iat= 435,1256, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 LEU HB+ 82 THR HB 3.50 (# 2689:25 Unique 2.07, 3.07 A)
&rst
ixpk= 2689, nxpk= 25, iat= -1,1256, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1540,1541,
&end
#
# 100 LEU HG 82 THR HB 4.50 (# 2690:25 Unique 4.31, 4.54 A)
&rst
ixpk= 2690, nxpk= 25, iat=1543,1256, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 LEU HB- 82 THR HB 4.50 (# 2691:25 Unique 2.07, 3.07 A)
&rst
ixpk= 2691, nxpk= 25, iat= -1,1256, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1540,1541,
&end
#
# 0 AMB 25-2:2692 82 THR HB 2.80 (# 2692:25 Single Ambig)
&rst
ixpk= 2692, nxpk= 25, iat= -1,1256, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1258,1259,1260,1545,1546,1547,1549,1550,1551,
&end
#
# 0 AMB 25-2:2693 0 AMB 25-1:2693 2.80 (# 2693:25 Double Ambig)
&rst
ixpk= 2693, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 731, 732, 238, 239, 240,
igr2=1056,1057,1058,1258,1259,1260,
&end
#
# 0 AMB 25-2:2695 82 THR MG2 2.80 (# 2695:25 Single Ambig)
&rst
ixpk= 2695, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1254,1268,
igr2=1258,1259,1260,
&end
#
# 0 AMB 25-2:2696 82 THR MG2 4.50 (# 2696:25 Single Ambig)
&rst
ixpk= 2696, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 198,1252,
igr2=1258,1259,1260,
&end
#
# 15 ILE HN 82 THR MG2 4.50 (# 2697:25 Unique 4.67, 5.47 A)
&rst
ixpk= 2697, nxpk= 25, iat= 225, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1258,1259,1260,
&end
#
# 84 LEU HN 83 LEU HA 2.80 (# 2698:25 Unique 2.14, 2.19 A)
&rst
ixpk= 2698, nxpk= 25, iat=1285,1268, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 15 ILE HN 84 LEU HA 3.50 (# 2699:25 Unique 3.01, 3.28 A)
&rst
ixpk= 2699, nxpk= 25, iat= 225,1287, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 LEU HN 83 LEU HA 3.50 (# 2700:25 Unique 2.93, 2.97 A)
&rst
ixpk= 2700, nxpk= 25, iat=1266,1268, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 LEU HB+ 83 LEU HA 3.50 (# 2701:25 Unique 2.46, 2.79 A)
&rst
ixpk= 2701, nxpk= 25, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1270,1271,
&end
#
# 83 LEU HB- 83 LEU HA 2.80 (# 2702:25 Unique 2.46, 2.79 A)
&rst
ixpk= 2702, nxpk= 25, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1270,1271,
&end
#
# 83 LEU MDY 83 LEU HA 2.80 (# 2704:25 Unique 2.09, 4.00 A)
&rst
ixpk= 2704, nxpk= 25, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 100 LEU MDX 83 LEU HA 3.50 (# 2705:25 Unique 3.40, 6.06 A)
&rst
ixpk= 2705, nxpk= 25, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1545,1546,1547,1549,1550,1551,
&end
#
# 83 LEU MDX 83 LEU HB+ 2.80 (# 2706:25 Unique 2.38, 3.31 A)
&rst
ixpk= 2706, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1270,1271,
&end
#
# 0 AMB 25-2:2708 0 AMB 25-1:2708 2.80 (# 2708:25 Double Ambig)
&rst
ixpk= 2708, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=2131,2132,2133,2135,2136,2137, 215, 216, 217, 219,
220, 221,
igr2=1270,1271,1270,1271,
&end
#
# 83 LEU HG 83 LEU HB+ 2.80 (# 2709:25 Unique 2.50, 2.81 A)
&rst
ixpk= 2709, nxpk= 25, iat=1273, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1270,1271,
&end
#
# 14 VAL HA 83 LEU HB+ 4.50 (# 2711:25 Unique 2.28, 3.21 A)
&rst
ixpk= 2711, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1270,1271,
&end
#
# 83 LEU HA 83 LEU HB+ 3.50 (# 2712:25 Unique 2.46, 2.79 A)
&rst
ixpk= 2712, nxpk= 25, iat=1268, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1270,1271,
&end
#
# 83 LEU HN 83 LEU HB+ 3.50 (# 2714:25 Unique 2.68, 2.91 A)
&rst
ixpk= 2714, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1270,1271,
&end
#
# 15 ILE HN 83 LEU HB+ 5.50 (# 2715:25 Unique 3.03, 4.28 A)
&rst
ixpk= 2715, nxpk= 25, iat= 225, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1270,1271,
&end
#
# 0 AMB 25-2:2717 83 LEU HB- 4.50 (# 2717:25 Single Ambig)
&rst
ixpk= 2717, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1285,1536,
igr2=1270,1271,
&end
#
# 83 LEU HN 83 LEU HB- 4.50 (# 2718:25 Unique 2.68, 2.91 A)
&rst
ixpk= 2718, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1270,1271,
&end
#
# 83 LEU HA 83 LEU HB- 3.50 (# 2719:25 Unique 2.46, 2.79 A)
&rst
ixpk= 2719, nxpk= 25, iat=1268, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1270,1271,
&end
#
# 0 AMB 25-2:2721 0 AMB 25-1:2721 2.80 (# 2721:25 Double Ambig)
&rst
ixpk= 2721, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=2131,2132,2133,2135,2136,2137,1590,1591,1592,1594,
1595,1596, 215, 216, 217, 219, 220, 221,
igr2=1270,1271,1585,1586,
&end
#
# 0 AMB 25-2:2722 0 AMB 25-1:2722 2.80 (# 2722:25 Double Ambig)
&rst
ixpk= 2722, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1275,1276,1277,1279,1280,1281,1561,1562,1563,
igr2=1270,1271,1585,1586,
&end
#
# 83 LEU HA 83 LEU HG 2.80 (# 2724:25 Unique 2.17, 2.57 A)
&rst
ixpk= 2724, nxpk= 25, iat=1268,1273, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 LEU HN 83 LEU HG 5.50 (# 2725:25 Unique 4.53, 4.63 A)
&rst
ixpk= 2725, nxpk= 25, iat=1266,1273, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 LEU HN 83 LEU HG 4.50 (# 2726:25 Unique 2.26, 2.89 A)
&rst
ixpk= 2726, nxpk= 25, iat=1285,1273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2727 0 AMB 25-1:2727 3.50 (# 2727:25 Double Ambig)
&rst
ixpk= 2727, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1=1268,1287,
igr2=1275,1276,1277,1279,1280,1281,1292,
&end
#
# 0 AMB 25-2:2728 0 AMB 25-1:2728 3.50 (# 2728:25 Double Ambig)
&rst
ixpk= 2728, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 263,1497,2048,
igr2=1292,1275,1276,1277,1279,1280,1281,
&end
#
# 83 LEU HB+ 83 LEU MDX 2.80 (# 2729:25 Unique 2.38, 3.31 A)
&rst
ixpk= 2729, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1270,1271,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 83 LEU HB+ 83 LEU MDY 2.80 (# 2730:25 Unique 2.38, 3.31 A)
&rst
ixpk= 2730, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1270,1271,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 132 LEU HA 83 LEU MDY 2.80 (# 2731:25 Unique 2.11, 4.04 A)
&rst
ixpk= 2731, nxpk= 25, iat=2005, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 25-2:2732 83 LEU MDY 5.50 (# 2732:25 Single Ambig)
&rst
ixpk= 2732, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1497,2048,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 14 VAL HA 83 LEU MDY 5.50 (# 2734:25 Unique 3.99, 5.53 A)
&rst
ixpk= 2734, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 83 LEU HN 83 LEU MDY 4.50 (# 2737:25 Unique 4.77, 5.51 A)
&rst
ixpk= 2737, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 101 ILE HN 64 ALA MB 4.50 (# 2738:25 Unique 4.12, 5.18 A)
&rst
ixpk= 2738, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 998, 999,1000,
&end
#
# 84 LEU HN 83 LEU MDY 2.80 (# 2739:25 Unique 2.30, 4.50 A)
&rst
ixpk= 2739, nxpk= 25, iat=1285, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 85 GLU HN 84 LEU HA 2.80 (# 2741:25 Unique 2.10, 2.18 A)
&rst
ixpk= 2741, nxpk= 25, iat=1304,1287, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 86 GLN HN 84 LEU HA 4.50 (# 2742:25 Unique 3.55, 3.71 A)
&rst
ixpk= 2742, nxpk= 25, iat=1319,1287, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2745 84 LEU HA 4.50 (# 2745:25 Single Ambig)
&rst
ixpk= 2745, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 246, 227,
&end
#
# 0 AMB 25-2:2746 84 LEU HA 4.50 (# 2746:25 Single Ambig)
&rst
ixpk= 2746, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1306,1256,
&end
#
# 85 GLU HB+ 84 LEU HA 5.50 (# 2747:25 Unique 4.34, 5.12 A)
&rst
ixpk= 2747, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1308,1309,
&end
#
# 85 GLU HG+ 84 LEU HA 4.50 (# 2748:25 Unique 3.87, 4.65 A)
&rst
ixpk= 2748, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1311,1312,
&end
#
# 0 AMB 25-2:2749 84 LEU HA 4.50 (# 2749:25 Single Ambig)
&rst
ixpk= 2749, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1311,1312,1308,1309,
&end
#
# 84 LEU HB- 84 LEU HA 2.80 (# 2750:25 Unique 2.42, 2.85 A)
&rst
ixpk= 2750, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1289,1290,
&end
#
# 84 LEU HB+ 84 LEU HA 2.80 (# 2751:25 Unique 2.42, 2.85 A)
&rst
ixpk= 2751, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1289,1290,
&end
#
# 84 LEU MDX 84 LEU HA 2.80 (# 2752:25 Unique 2.04, 3.56 A)
&rst
ixpk= 2752, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 15 ILE QD1 84 LEU HA 5.50 (# 2753:25 Unique 5.22, 6.22 A)
&rst
ixpk= 2753, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 238, 239, 240,
&end
#
# 0 AMB 25-2:2757 0 AMB 25-1:2757 2.80 (# 2757:25 Double Ambig)
&rst
ixpk= 2757, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
igr1=1292,1545,1546,1547,1549,1550,1551,
igr2=1289,1290,1289,1290,
&end
#
# 0 AMB 25-2:2758 0 AMB 25-1:2758 2.80 (# 2758:25 Double Ambig)
&rst
ixpk= 2758, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1=1784,1785,1786,1788,1789,1790,2012,2013,2014,2016,
2017,2018,2012,2013,2014,2016,2017,2018,
igr2=1779,1780,2007,2008,2007,2008,
&end
#
# 84 LEU MDX 84 LEU HB+ 3.50 (# 2759:25 Unique 2.25, 3.41 A)
&rst
ixpk= 2759, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1289,1290,
&end
#
# 98 LYS HA 84 LEU HB- 3.50 (# 2760:25 Unique 2.09, 3.05 A)
&rst
ixpk= 2760, nxpk= 25, iat=1497, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1289,1290,
&end
#
# 0 AMB 25-2:2761 0 AMB 25-1:2761 4.50 (# 2761:25 Double Ambig)
&rst
ixpk= 2761, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1497, 263,
igr2=1289,1290,1289,1290,
&end
#
# 84 LEU HA 84 LEU HB- 3.50 (# 2762:25 Unique 2.42, 2.85 A)
&rst
ixpk= 2762, nxpk= 25, iat=1287, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1289,1290,
&end
#
# 84 LEU HA 84 LEU HB+ 3.50 (# 2763:25 Unique 2.42, 2.85 A)
&rst
ixpk= 2763, nxpk= 25, iat=1287, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1289,1290,
&end
#
# 86 GLN HN 84 LEU HB- 4.50 (# 2764:25 Unique 3.07, 4.26 A)
&rst
ixpk= 2764, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1289,1290,
&end
#
# 86 GLN HN 84 LEU HB+ 4.50 (# 2765:25 Unique 3.07, 4.26 A)
&rst
ixpk= 2765, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1289,1290,
&end
#
# 85 GLU HN 84 LEU HB- 4.50 (# 2766:25 Unique 3.64, 4.30 A)
&rst
ixpk= 2766, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1289,1290,
&end
#
# 85 GLU HN 84 LEU HB+ 4.50 (# 2767:25 Unique 3.64, 4.30 A)
&rst
ixpk= 2767, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1289,1290,
&end
#
# 84 LEU HN 84 LEU HB- 3.50 (# 2768:25 Unique 2.42, 3.05 A)
&rst
ixpk= 2768, nxpk= 25, iat=1285, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1289,1290,
&end
#
# 84 LEU HN 84 LEU HB+ 4.50 (# 2769:25 Unique 2.42, 3.05 A)
&rst
ixpk= 2769, nxpk= 25, iat=1285, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1289,1290,
&end
#
# 100 LEU HN 100 LEU MDX 2.80 (# 2770:25 Unique 2.36, 4.49 A)
&rst
ixpk= 2770, nxpk= 25, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1545,1546,1547,1549,1550,1551,
&end
#
# 88 VAL HN 0 AMB 25-1:2771 4.50 (# 2771:25 Single Ambig)
&rst
ixpk= 2771, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr2=1292,1545,1546,1547,1549,1550,1551,
&end
#
# 83 LEU HN 0 AMB 25-1:2772 4.50 (# 2772:25 Single Ambig)
&rst
ixpk= 2772, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
igr2=1275,1276,1277,1279,1280,1281,1545,1546,1547,1549,
1550,1551,1292,
&end
#
# 15 ILE QD1 84 LEU MDX 3.50 (# 2775:25 Unique 2.62, 5.48 A)
&rst
ixpk= 2775, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 238, 239, 240,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 37 TYR HB- 32 LEU MDX 5.50 (# 2776:25 Unique 2.55, 4.36 A)
&rst
ixpk= 2776, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 578, 579,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 17 SER HA 84 LEU MDX 3.50 (# 2779:25 Unique 2.19, 4.60 A)
&rst
ixpk= 2779, nxpk= 25, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 84 LEU HA 84 LEU MDX 2.80 (# 2781:25 Unique 2.04, 3.56 A)
&rst
ixpk= 2781, nxpk= 25, iat=1287, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 85 GLU HN 84 LEU MDX 4.50 (# 2783:25 Unique 3.11, 5.38 A)
&rst
ixpk= 2783, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 15 ILE HN 84 LEU MDX 4.50 (# 2784:25 Unique 3.24, 5.50 A)
&rst
ixpk= 2784, nxpk= 25, iat= 225, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 25-2:2785 84 LEU MDX 3.50 (# 2785:25 Single Ambig)
&rst
ixpk= 2785, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 272,1285,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 85 GLU HN 85 GLU HA 2.80 (# 2786:25 Unique 2.76, 2.80 A)
&rst
ixpk= 2786, nxpk= 25, iat=1304,1306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 86 GLN HN 85 GLU HA 3.50 (# 2787:25 Unique 3.43, 3.49 A)
&rst
ixpk= 2787, nxpk= 25, iat=1319,1306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:2788 85 GLU HA 4.50 (# 2788:25 Single Ambig)
&rst
ixpk= 2788, nxpk= 25, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1287,1268,
&end
#
# 84 LEU HA 85 GLU HB+ 5.50 (# 2789:25 Unique 4.34, 5.12 A)
&rst
ixpk= 2789, nxpk= 25, iat=1287, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1308,1309,
&end
#
# 16 HIS HA 85 GLU HB+ 3.50 (# 2792:25 Unique 2.08, 3.09 A)
&rst
ixpk= 2792, nxpk= 25, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1308,1309,
&end
#
# 0 AMB 25-2:2793 0 AMB 25-1:2793 3.50 (# 2793:25 Double Ambig)
&rst
ixpk= 2793, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 627,1306,
igr2= 629, 630,1308,1309,
&end
#
# 14 VAL MGX 85 GLU HG+ 3.50 (# 2794:25 Unique 2.62, 5.34 A)
&rst
ixpk= 2794, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 215, 216, 217, 219, 220, 221,
igr2=1311,1312,
&end
#
# 85 GLU HA 85 GLU HG+ 2.80 (# 2795:25 Unique 2.48, 2.92 A)
&rst
ixpk= 2795, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1311,1312,
&end
#
# 16 HIS HA 85 GLU HG+ 3.50 (# 2797:25 Unique 2.83, 3.84 A)
&rst
ixpk= 2797, nxpk= 25, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1311,1312,
&end
#
# 0 AMB 25-2:2798 0 AMB 25-1:2798 5.50 (# 2798:25 Double Ambig)
&rst
ixpk= 2798, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1287,1268,
igr2=1311,1312,1311,1312,
&end
#
# 85 GLU HN 85 GLU HG+ 3.50 (# 2799:25 Unique 2.07, 2.78 A)
&rst
ixpk= 2799, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1311,1312,
&end
#
# 126 GLU HN 126 GLU HG+ 2.80 (# 2800:25 Unique 2.10, 2.76 A)
&rst
ixpk= 2800, nxpk= 25, iat=1899, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1906,1907,
&end
#
# 85 GLU HN 85 GLU HG- 3.50 (# 2801:25 Unique 2.07, 2.78 A)
&rst
ixpk= 2801, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1311,1312,
&end
#
# 86 GLN HN 85 GLU HG- 4.50 (# 2802:25 Unique 4.31, 4.87 A)
&rst
ixpk= 2802, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1311,1312,
&end
#
# 0 AMB 25-2:2803 85 GLU HG- 5.50 (# 2803:25 Single Ambig)
&rst
ixpk= 2803, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1287,1268,
igr2=1311,1312,
&end
#
# 16 HIS HA 85 GLU HG- 3.50 (# 2804:25 Unique 2.83, 3.84 A)
&rst
ixpk= 2804, nxpk= 25, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1311,1312,
&end
#
# 98 LYS HG- 86 GLN HA 5.50 (# 2806:25 Unique 3.33, 5.11 A)
&rst
ixpk= 2806, nxpk= 25, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1502,1503,
&end
#
# 86 GLN HB+ 86 GLN HA 2.80 (# 2807:25 Unique 2.38, 2.73 A)
&rst
ixpk= 2807, nxpk= 25, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1323,1324,
&end
#
# 86 GLN HB- 86 GLN HA 2.80 (# 2808:25 Unique 2.38, 2.73 A)
&rst
ixpk= 2808, nxpk= 25, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1323,1324,
&end
#
# 86 GLN HG+ 86 GLN HA 2.80 (# 2809:25 Unique 2.46, 3.08 A)
&rst
ixpk= 2809, nxpk= 25, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1326,1327,
&end
#
# 0 AMB 25-2:2810 86 GLN HA 4.50 (# 2810:25 Single Ambig)
&rst
ixpk= 2810, nxpk= 25, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1338,1339,1508,1509,
&end
#
# 87 GLY HA+ 86 GLN HA 5.50 (# 2812:25 Unique 4.19, 4.62 A)
&rst
ixpk= 2812, nxpk= 25, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1338,1339,
&end
#
# 86 GLN HN 86 GLN HA 3.50 (# 2813:25 Unique 2.95, 2.98 A)
&rst
ixpk= 2813, nxpk= 25, iat=1319,1321, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 87 GLY HN 86 GLN HA 3.50 (# 2814:25 Unique 2.18, 2.67 A)
&rst
ixpk= 2814, nxpk= 25, iat=1336,1321, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 ALA HN 86 GLN HB- 5.50 (# 2815:25 Unique 4.29, 5.58 A)
&rst
ixpk= 2815, nxpk= 25, iat= 272, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1323,1324,
&end
#
# 18 ALA HN 86 GLN HB+ 5.50 (# 2816:25 Unique 4.29, 5.58 A)
&rst
ixpk= 2816, nxpk= 25, iat= 272, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1323,1324,
&end
#
# 87 GLY HN 86 GLN HB- 4.50 (# 2817:25 Unique 3.32, 4.17 A)
&rst
ixpk= 2817, nxpk= 25, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1323,1324,
&end
#
# 87 GLY HN 86 GLN HB+ 4.50 (# 2818:25 Unique 3.32, 4.17 A)
&rst
ixpk= 2818, nxpk= 25, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1323,1324,
&end
#
# 86 GLN HN 86 GLN HB- 2.80 (# 2819:25 Unique 2.43, 3.27 A)
&rst
ixpk= 2819, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1323,1324,
&end
#
# 86 GLN HN 86 GLN HB+ 2.80 (# 2820:25 Unique 2.43, 3.27 A)
&rst
ixpk= 2820, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1323,1324,
&end
#
# 86 GLN HA 86 GLN HB- 2.80 (# 2821:25 Unique 2.38, 2.73 A)
&rst
ixpk= 2821, nxpk= 25, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1323,1324,
&end
#
# 86 GLN HA 86 GLN HB+ 2.80 (# 2822:25 Unique 2.38, 2.73 A)
&rst
ixpk= 2822, nxpk= 25, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1323,1324,
&end
#
# 17 SER HB- 86 GLN HB+ 3.50 (# 2824:25 Unique 2.06, 3.99 A)
&rst
ixpk= 2824, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 265, 266,
igr2=1323,1324,
&end
#
# 86 GLN HB+ 86 GLN HG+ 2.80 (# 2825:25 Unique 2.31, 2.72 A)
&rst
ixpk= 2825, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1323,1324,
igr2=1326,1327,
&end
#
# 86 GLN HB- 86 GLN HG+ 2.80 (# 2826:25 Unique 2.31, 2.72 A)
&rst
ixpk= 2826, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1323,1324,
igr2=1326,1327,
&end
#
# 17 SER HB- 86 GLN HG+ 4.50 (# 2827:25 Unique 3.25, 5.32 A)
&rst
ixpk= 2827, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 265, 266,
igr2=1326,1327,
&end
#
# 17 SER HB+ 86 GLN HG+ 4.50 (# 2828:25 Unique 3.25, 5.32 A)
&rst
ixpk= 2828, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 265, 266,
igr2=1326,1327,
&end
#
# 86 GLN HA 86 GLN HG+ 3.50 (# 2829:25 Unique 2.46, 3.08 A)
&rst
ixpk= 2829, nxpk= 25, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1326,1327,
&end
#
# 17 SER HA 86 GLN HG+ 4.50 (# 2830:25 Unique 4.26, 5.13 A)
&rst
ixpk= 2830, nxpk= 25, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1326,1327,
&end
#
# 86 GLN HN 86 GLN HG+ 3.50 (# 2833:25 Unique 2.61, 3.40 A)
&rst
ixpk= 2833, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1326,1327,
&end
#
# 87 GLY HN 86 GLN HG+ 4.50 (# 2834:25 Unique 4.57, 5.05 A)
&rst
ixpk= 2834, nxpk= 25, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1326,1327,
&end
#
# 97 ILE HN 87 GLY HA+ 4.50 (# 2835:25 Unique 2.16, 3.31 A)
&rst
ixpk= 2835, nxpk= 25, iat=1476, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1338,1339,
&end
#
# 97 ILE HN 87 GLY HA- 5.50 (# 2836:25 Unique 2.16, 3.31 A)
&rst
ixpk= 2836, nxpk= 25, iat=1476, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1338,1339,
&end
#
# 0 AMB 25-2:2837 87 GLY HA- 2.80 (# 2837:25 Single Ambig)
&rst
ixpk= 2837, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1343,1336,
igr2=1338,1339,
&end
#
# 88 VAL HN 87 GLY HA+ 2.80 (# 2838:25 Unique 2.04, 2.58 A)
&rst
ixpk= 2838, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1338,1339,
&end
#
# 98 LYS HA 87 GLY HA+ 4.50 (# 2839:25 Unique 2.47, 3.94 A)
&rst
ixpk= 2839, nxpk= 25, iat=1497, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1338,1339,
&end
#
# 0 AMB 25-2:2842 0 AMB 25-1:2842 4.50 (# 2842:25 Double Ambig)
&rst
ixpk= 2842, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1347,1499,1500,
igr2=1338,1339,1338,1339,
&end
#
# 84 LEU HB- 87 GLY HA+ 4.50 (# 2843:25 Unique 1.96, 3.56 A)
&rst
ixpk= 2843, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1289,1290,
igr2=1338,1339,
&end
#
# 0 AMB 25-2:2844 0 AMB 25-1:2844 4.50 (# 2844:25 Double Ambig)
&rst
ixpk= 2844, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1289,1290,1502,1503,
igr2=1338,1339,1338,1339,
&end
#
# 96 PRO HB- 87 GLY HA+ 4.50 (# 2845:25 Unique 2.06, 3.46 A)
&rst
ixpk= 2845, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1469,1470,
igr2=1338,1339,
&end
#
# 0 AMB 25-2:2846 0 AMB 25-1:2846 3.50 (# 2846:25 Double Ambig)
&rst
ixpk= 2846, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1469,1470,1292,
igr2=1338,1339,1338,1339,
&end
#
# 0 AMB 25-2:2847 87 GLY HA- 3.50 (# 2847:25 Single Ambig)
&rst
ixpk= 2847, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1469,1470,1292,
igr2=1338,1339,
&end
#
# 96 PRO HB- 87 GLY HA- 3.50 (# 2848:25 Unique 2.06, 3.46 A)
&rst
ixpk= 2848, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1469,1470,
igr2=1338,1339,
&end
#
# 0 AMB 25-2:2849 87 GLY HA- 4.50 (# 2849:25 Single Ambig)
&rst
ixpk= 2849, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1289,1290,1502,1503,
igr2=1338,1339,
&end
#
# 96 PRO HG- 87 GLY HA- 4.50 (# 2850:25 Unique 2.26, 5.11 A)
&rst
ixpk= 2850, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1466,1467,
igr2=1338,1339,
&end
#
# 84 LEU HB- 87 GLY HA- 4.50 (# 2851:25 Unique 1.96, 3.56 A)
&rst
ixpk= 2851, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1289,1290,
igr2=1338,1339,
&end
#
# 0 AMB 25-2:2852 87 GLY HA- 5.50 (# 2852:25 Single Ambig)
&rst
ixpk= 2852, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1347,1499,1500,
igr2=1338,1339,
&end
#
# 97 ILE HB 87 GLY HA- 5.50 (# 2853:25 Unique 3.46, 4.59 A)
&rst
ixpk= 2853, nxpk= 25, iat=1480, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1338,1339,
&end
#
# 86 GLN HA 87 GLY HA- 4.50 (# 2856:25 Unique 4.19, 4.62 A)
&rst
ixpk= 2856, nxpk= 25, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1338,1339,
&end
#
# 98 LYS HA 87 GLY HA- 4.50 (# 2857:25 Unique 2.47, 3.94 A)
&rst
ixpk= 2857, nxpk= 25, iat=1497, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1338,1339,
&end
#
# 84 LEU MDX 88 VAL HB 4.50 (# 2864:25 Unique 2.25, 5.26 A)
&rst
ixpk= 2864, nxpk= 25, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 88 VAL MGY 88 VAL HB 2.80 (# 2865:25 Unique 2.24, 2.63 A)
&rst
ixpk= 2865, nxpk= 25, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 88 VAL MGX 88 VAL HB 2.80 (# 2866:25 Unique 2.24, 2.63 A)
&rst
ixpk= 2866, nxpk= 25, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 18 ALA MB 88 VAL HB 3.50 (# 2867:25 Unique 2.19, 3.83 A)
&rst
ixpk= 2867, nxpk= 25, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 276, 277, 278,
&end
#
# 21 TRP HA 88 VAL HB 5.50 (# 2869:25 Unique 2.78, 4.04 A)
&rst
ixpk= 2869, nxpk= 25, iat= 318,1347, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 ASP HA 88 VAL HB 5.50 (# 2871:25 Unique 3.58, 4.88 A)
&rst
ixpk= 2871, nxpk= 25, iat= 306,1347, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HN 88 VAL HB 5.50 (# 2874:25 Unique 3.55, 5.26 A)
&rst
ixpk= 2874, nxpk= 25, iat= 316,1347, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 VAL HN 88 VAL HB 3.50 (# 2875:25 Unique 2.53, 3.15 A)
&rst
ixpk= 2875, nxpk= 25, iat=1343,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 TYR HN 88 VAL HB 4.50 (# 2876:25 Unique 2.04, 3.43 A)
&rst
ixpk= 2876, nxpk= 25, iat=1359,1347, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 ALA HN 88 VAL HB 4.50 (# 2877:25 Unique 2.59, 3.59 A)
&rst
ixpk= 2877, nxpk= 25, iat= 272,1347, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 ILE HN 88 VAL MGX 5.50 (# 2878:25 Unique 5.44, 6.91 A)
&rst
ixpk= 2878, nxpk= 25, iat=1476, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 88 VAL HN 88 VAL MGX 2.80 (# 2880:25 Unique 2.63, 4.25 A)
&rst
ixpk= 2880, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 20 ASP HN 88 VAL MGX 4.50 (# 2884:25 Unique 3.17, 5.08 A)
&rst
ixpk= 2884, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 21 TRP HA 88 VAL MGX 4.50 (# 2889:25 Unique 2.15, 4.63 A)
&rst
ixpk= 2889, nxpk= 25, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 21 TRP HB+ 88 VAL MGX 5.50 (# 2890:25 Unique 2.50, 5.97 A)
&rst
ixpk= 2890, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 320, 321,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 88 VAL HB 88 VAL MGX 2.80 (# 2891:25 Unique 2.24, 2.63 A)
&rst
ixpk= 2891, nxpk= 25, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 86 GLN HB- 88 VAL MGX 4.50 (# 2892:25 Unique 3.76, 6.77 A)
&rst
ixpk= 2892, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1323,1324,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 24 ALA MB 88 VAL MGX 2.80 (# 2893:25 Unique 2.22, 4.83 A)
&rst
ixpk= 2893, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 376, 377, 378,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 18 ALA MB 88 VAL MGY 2.80 (# 2894:25 Unique 2.10, 4.45 A)
&rst
ixpk= 2894, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 276, 277, 278,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 24 ALA MB 88 VAL MGY 2.80 (# 2895:25 Unique 2.22, 4.83 A)
&rst
ixpk= 2895, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 376, 377, 378,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 88 VAL HB 88 VAL MGY 2.80 (# 2896:25 Unique 2.24, 2.63 A)
&rst
ixpk= 2896, nxpk= 25, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 21 TRP HB+ 88 VAL MGY 4.50 (# 2897:25 Unique 2.50, 5.97 A)
&rst
ixpk= 2897, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 320, 321,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 0 AMB 25-2:2898 88 VAL MGY 4.50 (# 2898:25 Single Ambig)
&rst
ixpk= 2898, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1363,1364, 308, 309,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 0 AMB 25-2:2899 88 VAL MGY 5.50 (# 2899:25 Single Ambig)
&rst
ixpk= 2899, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1338,1339, 308, 309,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 21 TRP HA 88 VAL MGY 4.50 (# 2900:25 Unique 2.15, 4.63 A)
&rst
ixpk= 2900, nxpk= 25, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 20 ASP HA 88 VAL MGY 3.50 (# 2901:25 Unique 2.51, 4.36 A)
&rst
ixpk= 2901, nxpk= 25, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 20 ASP HN 88 VAL MGY 4.50 (# 2904:25 Unique 3.17, 5.08 A)
&rst
ixpk= 2904, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 21 TRP HN 88 VAL MGY 4.50 (# 2905:25 Unique 3.00, 5.12 A)
&rst
ixpk= 2905, nxpk= 25, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 88 VAL HN 88 VAL MGY 4.50 (# 2906:25 Unique 2.63, 4.25 A)
&rst
ixpk= 2906, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 89 TYR HN 88 VAL MGY 3.50 (# 2907:25 Unique 1.89, 4.35 A)
&rst
ixpk= 2907, nxpk= 25, iat=1359, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 89 TYR HN 89 TYR HA 3.50 (# 2910:25 Unique 2.20, 2.71 A)
&rst
ixpk= 2910, nxpk= 25, iat=1359,1361, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 TYR HB+ 89 TYR HA 3.50 (# 2915:25 Unique 2.30, 2.76 A)
&rst
ixpk= 2915, nxpk= 25, iat= -1,1361, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1363,1364,
&end
#
# 89 TYR HB- 89 TYR HA 4.50 (# 2917:25 Unique 2.30, 2.76 A)
&rst
ixpk= 2917, nxpk= 25, iat= -1,1361, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1363,1364,
&end
#
# 89 TYR HA 89 TYR HB+ 3.50 (# 2920:25 Unique 2.30, 2.76 A)
&rst
ixpk= 2920, nxpk= 25, iat=1361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1363,1364,
&end
#
# 89 TYR HA 89 TYR HB- 3.50 (# 2921:25 Unique 2.30, 2.76 A)
&rst
ixpk= 2921, nxpk= 25, iat=1361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1363,1364,
&end
#
# 89 TYR HD 89 TYR HB+ 4.50 (# 2922:25 Unique 2.30, 3.09 A)
&rst
ixpk= 2922, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1367,1376,
igr2=1363,1364,
&end
#
# 89 TYR HD 89 TYR HB- 4.50 (# 2924:25 Unique 2.30, 3.09 A)
&rst
ixpk= 2924, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1367,1376,
igr2=1363,1364,
&end
#
# 89 TYR HN 89 TYR HB+ 3.50 (# 2926:25 Unique 2.09, 2.91 A)
&rst
ixpk= 2926, nxpk= 25, iat=1359, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1363,1364,
&end
#
# 89 TYR HN 89 TYR HB- 3.50 (# 2927:25 Unique 2.09, 2.91 A)
&rst
ixpk= 2927, nxpk= 25, iat=1359, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1363,1364,
&end
#
# 90 PHE HN 89 TYR HB+ 4.50 (# 2928:25 Unique 2.15, 3.22 A)
&rst
ixpk= 2928, nxpk= 25, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1363,1364,
&end
#
# 90 PHE HN 89 TYR HB- 4.50 (# 2929:25 Unique 2.15, 3.22 A)
&rst
ixpk= 2929, nxpk= 25, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1363,1364,
&end
#
# 90 PHE HN 90 PHE HA 4.50 (# 2930:25 Unique 2.14, 2.84 A)
&rst
ixpk= 2930, nxpk= 25, iat=1380,1382, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 PRO HD- 90 PHE HA 4.50 (# 2931:25 Unique 2.33, 4.53 A)
&rst
ixpk= 2931, nxpk= 25, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 854, 855,
&end
#
# 21 TRP HB+ 90 PHE HA 4.50 (# 2932:25 Unique 2.41, 4.10 A)
&rst
ixpk= 2932, nxpk= 25, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 320, 321,
&end
#
# 50 THR MG2 90 PHE HA 5.50 (# 2933:25 Unique 2.42, 3.46 A)
&rst
ixpk= 2933, nxpk= 25, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 791, 792, 793,
&end
#
# 58 ILE QD1 90 PHE HB- 4.50 (# 2934:25 Unique 3.00, 5.18 A)
&rst
ixpk= 2934, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 922, 923, 924,
igr2=1384,1385,
&end
#
# 97 ILE QD1 90 PHE HB- 5.50 (# 2935:25 Unique 3.00, 5.68 A)
&rst
ixpk= 2935, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1489,1490,1491,
igr2=1384,1385,
&end
#
# 58 ILE QD1 90 PHE HB+ 5.50 (# 2936:25 Unique 3.00, 5.18 A)
&rst
ixpk= 2936, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 922, 923, 924,
igr2=1384,1385,
&end
#
# 97 ILE HG1+ 90 PHE HB- 5.50 (# 2937:25 Unique 2.29, 4.17 A)
&rst
ixpk= 2937, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1486,1487,
igr2=1384,1385,
&end
#
# 55 PRO HB+ 90 PHE HB- 5.50 (# 2938:25 Unique 2.13, 4.19 A)
&rst
ixpk= 2938, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 860, 861,
igr2=1384,1385,
&end
#
# 97 ILE HG1- 90 PHE HB- 5.50 (# 2939:25 Unique 2.29, 4.17 A)
&rst
ixpk= 2939, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1486,1487,
igr2=1384,1385,
&end
#
# 55 PRO HG- 90 PHE HB- 5.50 (# 2940:25 Unique 2.16, 4.08 A)
&rst
ixpk= 2940, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 857, 858,
igr2=1384,1385,
&end
#
# 23 GLU HG- 26 ASP HB- 3.50 (# 2941:25 Unique 3.39, 5.14 A)
&rst
ixpk= 2941, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 364, 365,
igr2= 405, 406,
&end
#
# 90 PHE HA 90 PHE HB- 4.50 (# 2945:25 Unique 2.24, 2.70 A)
&rst
ixpk= 2945, nxpk= 25, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1384,1385,
&end
#
# 90 PHE HA 90 PHE HB+ 3.50 (# 2946:25 Unique 2.24, 2.70 A)
&rst
ixpk= 2946, nxpk= 25, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1384,1385,
&end
#
# 90 PHE HD 90 PHE HB- 4.50 (# 2948:25 Unique 2.11, 3.09 A)
&rst
ixpk= 2948, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1388,1396,
igr2=1384,1385,
&end
#
# 89 TYR HD 90 PHE HB- 3.50 (# 2949:25 Unique 2.02, 5.41 A)
&rst
ixpk= 2949, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1367,1376,
igr2=1384,1385,
&end
#
# 90 PHE HN 90 PHE HB+ 3.50 (# 2950:25 Unique 2.14, 3.10 A)
&rst
ixpk= 2950, nxpk= 25, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1384,1385,
&end
#
# 90 PHE HN 90 PHE HB- 4.50 (# 2951:25 Unique 2.14, 3.10 A)
&rst
ixpk= 2951, nxpk= 25, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1384,1385,
&end
#
# 91 PRO HG+ 91 PRO HA 4.50 (# 2952:25 Unique 2.92, 3.93 A)
&rst
ixpk= 2952, nxpk= 25, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1404,1405,
&end
#
# 91 PRO HG- 91 PRO HA 3.50 (# 2953:25 Unique 2.92, 3.93 A)
&rst
ixpk= 2953, nxpk= 25, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1404,1405,
&end
#
# 91 PRO HB- 91 PRO HA 3.50 (# 2954:25 Unique 2.25, 2.55 A)
&rst
ixpk= 2954, nxpk= 25, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1407,1408,
&end
#
# 91 PRO HD+ 91 PRO HA 3.50 (# 2956:25 Unique 3.16, 3.74 A)
&rst
ixpk= 2956, nxpk= 25, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1401,1402,
&end
#
# 93 ASN HN 91 PRO HA 4.50 (# 2959:25 Unique 3.38, 4.13 A)
&rst
ixpk= 2959, nxpk= 25, iat=1421,1410, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 GLY HN 91 PRO HB+ 4.50 (# 2961:25 Unique 3.00, 4.00 A)
&rst
ixpk= 2961, nxpk= 25, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1407,1408,
&end
#
# 92 GLY HN 91 PRO HB- 5.50 (# 2962:25 Unique 3.00, 4.00 A)
&rst
ixpk= 2962, nxpk= 25, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1407,1408,
&end
#
# 91 PRO HA 91 PRO HB+ 2.80 (# 2963:25 Unique 2.25, 2.55 A)
&rst
ixpk= 2963, nxpk= 25, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1407,1408,
&end
#
# 91 PRO HA 91 PRO HB- 3.50 (# 2964:25 Unique 2.25, 2.55 A)
&rst
ixpk= 2964, nxpk= 25, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1407,1408,
&end
#
# 54 GLY HA- 91 PRO HB- 5.50 (# 2965:25 Unique 4.93, 6.47 A)
&rst
ixpk= 2965, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 848, 849,
igr2=1407,1408,
&end
#
# 0 AMB 25-2:2966 91 PRO HB- 5.50 (# 2966:25 Single Ambig)
&rst
ixpk= 2966, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 854, 855, 318,
igr2=1407,1408,
&end
#
# 55 PRO HD+ 91 PRO HB- 5.50 (# 2967:25 Unique 5.18, 6.79 A)
&rst
ixpk= 2967, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 854, 855,
igr2=1407,1408,
&end
#
# 55 PRO HD+ 91 PRO HB+ 5.50 (# 2968:25 Unique 5.18, 6.79 A)
&rst
ixpk= 2968, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 854, 855,
igr2=1407,1408,
&end
#
# 91 PRO HG- 91 PRO HB+ 3.50 (# 2971:25 Unique 2.35, 2.64 A)
&rst
ixpk= 2971, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1404,1405,
igr2=1407,1408,
&end
#
# 91 PRO HG+ 91 PRO HB+ 3.50 (# 2972:25 Unique 2.35, 2.64 A)
&rst
ixpk= 2972, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1404,1405,
igr2=1407,1408,
&end
#
# 91 PRO HG+ 91 PRO HB- 3.50 (# 2973:25 Unique 2.35, 2.64 A)
&rst
ixpk= 2973, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1404,1405,
igr2=1407,1408,
&end
#
# 50 THR MG2 91 PRO HB+ 5.50 (# 2974:25 Unique 4.64, 6.30 A)
&rst
ixpk= 2974, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 791, 792, 793,
igr2=1407,1408,
&end
#
# 50 THR MG2 91 PRO HB- 5.50 (# 2975:25 Unique 4.64, 6.30 A)
&rst
ixpk= 2975, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 791, 792, 793,
igr2=1407,1408,
&end
#
# 91 PRO HB+ 91 PRO HG- 2.80 (# 2976:25 Unique 2.35, 2.64 A)
&rst
ixpk= 2976, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1407,1408,
igr2=1404,1405,
&end
#
# 91 PRO HD+ 91 PRO HG- 2.80 (# 2977:25 Unique 2.31, 2.62 A)
&rst
ixpk= 2977, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1401,1402,
igr2=1404,1405,
&end
#
# 91 PRO HB+ 91 PRO HG+ 2.80 (# 2978:25 Unique 2.35, 2.64 A)
&rst
ixpk= 2978, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1407,1408,
igr2=1404,1405,
&end
#
# 91 PRO HD+ 91 PRO HG+ 2.80 (# 2979:25 Unique 2.31, 2.62 A)
&rst
ixpk= 2979, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1401,1402,
igr2=1404,1405,
&end
#
# 55 PRO HD+ 91 PRO HG+ 5.50 (# 2980:25 Unique 3.74, 5.60 A)
&rst
ixpk= 2980, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 854, 855,
igr2=1404,1405,
&end
#
# 67 HIS HB- 103 LEU HG 5.50 (# 2981:25 Unique 5.33, 5.87 A)
&rst
ixpk= 2981, nxpk= 25, iat= -1,1588, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1039,1040,
&end
#
# 91 PRO HA 91 PRO HG+ 4.50 (# 2983:25 Unique 2.92, 3.93 A)
&rst
ixpk= 2983, nxpk= 25, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1404,1405,
&end
#
# 90 PHE HA 91 PRO HG- 4.50 (# 2984:25 Unique 3.80, 4.39 A)
&rst
ixpk= 2984, nxpk= 25, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1404,1405,
&end
#
# 90 PHE HA 91 PRO HG+ 4.50 (# 2985:25 Unique 3.80, 4.39 A)
&rst
ixpk= 2985, nxpk= 25, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1404,1405,
&end
#
# 0 AMB 25-2:2986 0 AMB 25-1:2986 2.80 (# 2986:25 Double Ambig)
&rst
ixpk= 2986, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1235,1538,
igr2=1565,1566,1543,
&end
#
# 0 AMB 25-2:2987 0 AMB 25-1:2987 5.50 (# 2987:25 Double Ambig)
&rst
ixpk= 2987, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1252,1233,
igr2=1565,1566,1565,1566,
&end
#
# 104 SER HN 103 LEU HG 4.50 (# 2988:25 Unique 3.22, 3.53 A)
&rst
ixpk= 2988, nxpk= 25, iat=1600,1588, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 101 ILE HN 0 AMB 25-1:2989 3.50 (# 2989:25 Single Ambig)
&rst
ixpk= 2989, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1565,1566,1543,
&end
#
# 21 TRP HE1 91 PRO HG- 4.50 (# 2990:25 Unique 3.71, 4.91 A)
&rst
ixpk= 2990, nxpk= 25, iat= 326, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1404,1405,
&end
#
# 21 TRP HE1 91 PRO HG+ 4.50 (# 2991:25 Unique 3.71, 4.91 A)
&rst
ixpk= 2991, nxpk= 25, iat= 326, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1404,1405,
&end
#
# 21 TRP HE1 91 PRO HD+ 5.50 (# 2992:25 Unique 3.96, 5.56 A)
&rst
ixpk= 2992, nxpk= 25, iat= 326, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1401,1402,
&end
#
# 90 PHE HN 91 PRO HD+ 5.50 (# 2993:25 Unique 2.88, 4.27 A)
&rst
ixpk= 2993, nxpk= 25, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1401,1402,
&end
#
# 21 TRP HD1 91 PRO HD+ 4.50 (# 2994:25 Unique 3.29, 4.40 A)
&rst
ixpk= 2994, nxpk= 25, iat= 324, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1401,1402,
&end
#
# 90 PHE HD 91 PRO HD+ 4.50 (# 2995:25 Unique 3.07, 5.32 A)
&rst
ixpk= 2995, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1388,1396,
igr2=1401,1402,
&end
#
# 89 TYR HD 91 PRO HD+ 5.50 (# 2998:25 Unique 4.88, 6.58 A)
&rst
ixpk= 2998, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1367,1376,
igr2=1401,1402,
&end
#
# 90 PHE HA 91 PRO HD+ 2.80 (# 2999:25 Unique 1.91, 2.44 A)
&rst
ixpk= 2999, nxpk= 25, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1401,1402,
&end
#
# 91 PRO HA 91 PRO HD+ 5.50 (# 3000:25 Unique 3.16, 3.74 A)
&rst
ixpk= 3000, nxpk= 25, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1401,1402,
&end
#
# 55 PRO HD+ 91 PRO HD+ 5.50 (# 3001:25 Unique 2.34, 5.20 A)
&rst
ixpk= 3001, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 854, 855,
igr2=1401,1402,
&end
#
# 90 PHE HB+ 91 PRO HD+ 4.50 (# 3002:25 Unique 2.21, 4.44 A)
&rst
ixpk= 3002, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1384,1385,
igr2=1401,1402,
&end
#
# 21 TRP HB+ 91 PRO HD+ 3.50 (# 3003:25 Unique 2.13, 3.47 A)
&rst
ixpk= 3003, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 320, 321,
igr2=1401,1402,
&end
#
# 91 PRO HG- 91 PRO HD+ 2.80 (# 3004:25 Unique 2.31, 2.62 A)
&rst
ixpk= 3004, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1404,1405,
igr2=1401,1402,
&end
#
# 91 PRO HB- 91 PRO HD+ 3.50 (# 3005:25 Unique 2.67, 3.65 A)
&rst
ixpk= 3005, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1407,1408,
igr2=1401,1402,
&end
#
# 91 PRO HG+ 91 PRO HD+ 3.50 (# 3006:25 Unique 2.31, 2.62 A)
&rst
ixpk= 3006, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1404,1405,
igr2=1401,1402,
&end
#
# 50 THR MG2 91 PRO HD+ 3.50 (# 3007:25 Unique 2.18, 3.46 A)
&rst
ixpk= 3007, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 791, 792, 793,
igr2=1401,1402,
&end
#
# 92 GLY HN 92 GLY HA- 3.50 (# 3008:25 Unique 2.26, 2.69 A)
&rst
ixpk= 3008, nxpk= 25, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1416,1417,
&end
#
# 92 GLY HN 92 GLY HA+ 3.50 (# 3009:25 Unique 2.26, 2.69 A)
&rst
ixpk= 3009, nxpk= 25, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1416,1417,
&end
#
# 93 ASN HN 92 GLY HA- 4.50 (# 3010:25 Unique 2.75, 3.34 A)
&rst
ixpk= 3010, nxpk= 25, iat=1421, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1416,1417,
&end
#
# 93 ASN HN 92 GLY HA+ 4.50 (# 3011:25 Unique 2.75, 3.34 A)
&rst
ixpk= 3011, nxpk= 25, iat=1421, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1416,1417,
&end
#
# 93 ASN HB+ 93 ASN HA 3.50 (# 3014:25 Unique 2.41, 2.82 A)
&rst
ixpk= 3014, nxpk= 25, iat= -1,1423, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1425,1426,
&end
#
# 93 ASN HB- 93 ASN HA 2.80 (# 3015:25 Unique 2.41, 2.82 A)
&rst
ixpk= 3015, nxpk= 25, iat= -1,1423, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1425,1426,
&end
#
# 94 ASP HA 93 ASN HA 4.50 (# 3016:25 Unique 4.15, 4.35 A)
&rst
ixpk= 3016, nxpk= 25, iat=1437,1423, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ASN HD2+ 93 ASN HA 4.50 (# 3018:25 Unique 2.26, 3.39 A)
&rst
ixpk= 3018, nxpk= 25, iat= -1,1423, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1430,1431,
&end
#
# 93 ASN HN 93 ASN HA 3.50 (# 3019:25 Unique 2.86, 2.94 A)
&rst
ixpk= 3019, nxpk= 25, iat=1421,1423, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 GLU HN 93 ASN HA 4.50 (# 3020:25 Unique 3.80, 4.36 A)
&rst
ixpk= 3020, nxpk= 25, iat=1447,1423, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 ASP HN 93 ASN HA 3.50 (# 3021:25 Unique 2.23, 2.48 A)
&rst
ixpk= 3021, nxpk= 25, iat=1435,1423, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 PHE HN 93 ASN HB- 5.50 (# 3022:25 Unique 3.53, 5.25 A)
&rst
ixpk= 3022, nxpk= 25, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1425,1426,
&end
#
# 90 PHE HN 93 ASN HB+ 5.50 (# 3023:25 Unique 3.53, 5.25 A)
&rst
ixpk= 3023, nxpk= 25, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1425,1426,
&end
#
# 94 ASP HN 93 ASN HB+ 5.50 (# 3024:25 Unique 2.73, 3.67 A)
&rst
ixpk= 3024, nxpk= 25, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1425,1426,
&end
#
# 95 GLU HN 93 ASN HB+ 5.50 (# 3025:25 Unique 2.56, 3.82 A)
&rst
ixpk= 3025, nxpk= 25, iat=1447, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1425,1426,
&end
#
# 93 ASN HN 93 ASN HB- 3.50 (# 3027:25 Unique 2.38, 2.73 A)
&rst
ixpk= 3027, nxpk= 25, iat=1421, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1425,1426,
&end
#
# 93 ASN HN 93 ASN HB+ 3.50 (# 3028:25 Unique 2.38, 2.73 A)
&rst
ixpk= 3028, nxpk= 25, iat=1421, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1425,1426,
&end
#
# 93 ASN HD2+ 93 ASN HB+ 3.50 (# 3029:25 Unique 2.20, 3.41 A)
&rst
ixpk= 3029, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1430,1431,
igr2=1425,1426,
&end
#
# 93 ASN HD2+ 93 ASN HB- 3.50 (# 3030:25 Unique 2.20, 3.41 A)
&rst
ixpk= 3030, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1430,1431,
igr2=1425,1426,
&end
#
# 93 ASN HA 93 ASN HB- 3.50 (# 3031:25 Unique 2.41, 2.82 A)
&rst
ixpk= 3031, nxpk= 25, iat=1423, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1425,1426,
&end
#
# 93 ASN HA 93 ASN HB+ 3.50 (# 3032:25 Unique 2.41, 2.82 A)
&rst
ixpk= 3032, nxpk= 25, iat=1423, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1425,1426,
&end
#
# 55 PRO HG- 93 ASN HB+ 5.50 (# 3038:25 Unique 2.14, 4.46 A)
&rst
ixpk= 3038, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 857, 858,
igr2=1425,1426,
&end
#
# 97 ILE QD1 93 ASN HB- 5.50 (# 3040:25 Unique 2.97, 4.97 A)
&rst
ixpk= 3040, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1489,1490,1491,
igr2=1425,1426,
&end
#
# 58 ILE QD1 93 ASN HB- 4.50 (# 3041:25 Unique 3.37, 5.39 A)
&rst
ixpk= 3041, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 922, 923, 924,
igr2=1425,1426,
&end
#
# 58 ILE QD1 93 ASN HB+ 4.50 (# 3042:25 Unique 3.37, 5.39 A)
&rst
ixpk= 3042, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 922, 923, 924,
igr2=1425,1426,
&end
#
# 97 ILE QD1 93 ASN HB+ 5.50 (# 3043:25 Unique 2.97, 4.97 A)
&rst
ixpk= 3043, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1489,1490,1491,
igr2=1425,1426,
&end
#
# 94 ASP HB+ 94 ASP HA 3.50 (# 3045:25 Unique 2.42, 2.75 A)
&rst
ixpk= 3045, nxpk= 25, iat= -1,1437, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1439,1440,
&end
#
# 95 GLU HN 94 ASP HA 3.50 (# 3049:25 Unique 3.51, 3.54 A)
&rst
ixpk= 3049, nxpk= 25, iat=1447,1437, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 ASP HN 94 ASP HA 4.50 (# 3051:25 Unique 2.12, 2.82 A)
&rst
ixpk= 3051, nxpk= 25, iat=1435,1437, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 ASP HN 94 ASP HB- 3.50 (# 3052:25 Unique 2.39, 2.56 A)
&rst
ixpk= 3052, nxpk= 25, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1439,1440,
&end
#
# 34 ASP HN 34 ASP HB+ 2.80 (# 3053:25 Unique 2.31, 2.44 A)
&rst
ixpk= 3053, nxpk= 25, iat= 526, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 530, 531,
&end
#
# 95 GLU HN 94 ASP HB- 3.50 (# 3054:25 Unique 2.73, 3.49 A)
&rst
ixpk= 3054, nxpk= 25, iat=1447, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1439,1440,
&end
#
# 95 GLU HN 94 ASP HB+ 3.50 (# 3055:25 Unique 2.73, 3.49 A)
&rst
ixpk= 3055, nxpk= 25, iat=1447, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1439,1440,
&end
#
# 94 ASP HA 94 ASP HB- 2.80 (# 3056:25 Unique 2.42, 2.75 A)
&rst
ixpk= 3056, nxpk= 25, iat=1437, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1439,1440,
&end
#
# 94 ASP HA 94 ASP HB+ 2.80 (# 3057:25 Unique 2.42, 2.75 A)
&rst
ixpk= 3057, nxpk= 25, iat=1437, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1439,1440,
&end
#
# 97 ILE HN 96 PRO HA 2.80 (# 3058:25 Unique 2.24, 2.33 A)
&rst
ixpk= 3058, nxpk= 25, iat=1476,1472, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:3061 0 AMB 25-1:3061 3.50 (# 3061:25 Double Ambig)
&rst
ixpk= 3061, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1924,1925,1466,1467,1486,1487,
igr2=1916,1472,
&end
#
# 96 PRO HB- 96 PRO HA 2.80 (# 3062:25 Unique 2.29, 2.56 A)
&rst
ixpk= 3062, nxpk= 25, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1469,1470,
&end
#
# 96 PRO HB+ 96 PRO HA 2.80 (# 3063:25 Unique 2.29, 2.56 A)
&rst
ixpk= 3063, nxpk= 25, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1469,1470,
&end
#
# 96 PRO HG- 96 PRO HB- 3.50 (# 3066:25 Unique 2.32, 2.62 A)
&rst
ixpk= 3066, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1466,1467,
igr2=1469,1470,
&end
#
# 96 PRO HG+ 96 PRO HB- 3.50 (# 3067:25 Unique 2.32, 2.62 A)
&rst
ixpk= 3067, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1466,1467,
igr2=1469,1470,
&end
#
# 96 PRO HG- 96 PRO HB+ 3.50 (# 3068:25 Unique 2.32, 2.62 A)
&rst
ixpk= 3068, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1466,1467,
igr2=1469,1470,
&end
#
# 96 PRO HG+ 96 PRO HB+ 3.50 (# 3069:25 Unique 2.32, 2.62 A)
&rst
ixpk= 3069, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1466,1467,
igr2=1469,1470,
&end
#
# 87 GLY HA- 96 PRO HB- 3.50 (# 3070:25 Unique 2.06, 3.46 A)
&rst
ixpk= 3070, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1338,1339,
igr2=1469,1470,
&end
#
# 87 GLY HA- 96 PRO HB+ 4.50 (# 3071:25 Unique 2.06, 3.46 A)
&rst
ixpk= 3071, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1338,1339,
igr2=1469,1470,
&end
#
# 96 PRO HD+ 96 PRO HB- 3.50 (# 3072:25 Unique 2.75, 3.69 A)
&rst
ixpk= 3072, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1463,1464,
igr2=1469,1470,
&end
#
# 96 PRO HD+ 96 PRO HB+ 4.50 (# 3073:25 Unique 2.75, 3.69 A)
&rst
ixpk= 3073, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1463,1464,
igr2=1469,1470,
&end
#
# 96 PRO HA 96 PRO HB- 2.80 (# 3074:25 Unique 2.29, 2.56 A)
&rst
ixpk= 3074, nxpk= 25, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1469,1470,
&end
#
# 96 PRO HA 96 PRO HB+ 2.80 (# 3075:25 Unique 2.29, 2.56 A)
&rst
ixpk= 3075, nxpk= 25, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1469,1470,
&end
#
# 87 GLY HA+ 96 PRO HB- 5.50 (# 3076:25 Unique 2.06, 3.46 A)
&rst
ixpk= 3076, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1338,1339,
igr2=1469,1470,
&end
#
# 87 GLY HA+ 96 PRO HB+ 5.50 (# 3077:25 Unique 2.06, 3.46 A)
&rst
ixpk= 3077, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1338,1339,
igr2=1469,1470,
&end
#
# 95 GLU HA 96 PRO HB+ 5.50 (# 3081:25 Unique 4.68, 5.31 A)
&rst
ixpk= 3081, nxpk= 25, iat=1449, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1469,1470,
&end
#
# 95 GLU HA 96 PRO HB- 5.50 (# 3082:25 Unique 4.68, 5.31 A)
&rst
ixpk= 3082, nxpk= 25, iat=1449, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1469,1470,
&end
#
# 88 VAL HN 96 PRO HB- 4.50 (# 3083:25 Unique 3.25, 4.84 A)
&rst
ixpk= 3083, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1469,1470,
&end
#
# 88 VAL HN 96 PRO HB+ 4.50 (# 3084:25 Unique 3.25, 4.84 A)
&rst
ixpk= 3084, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1469,1470,
&end
#
# 97 ILE HN 96 PRO HB- 4.50 (# 3085:25 Unique 2.30, 3.55 A)
&rst
ixpk= 3085, nxpk= 25, iat=1476, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1469,1470,
&end
#
# 97 ILE HN 96 PRO HB+ 4.50 (# 3086:25 Unique 2.30, 3.55 A)
&rst
ixpk= 3086, nxpk= 25, iat=1476, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1469,1470,
&end
#
# 97 ILE HN 96 PRO HG+ 5.50 (# 3087:25 Unique 4.00, 5.20 A)
&rst
ixpk= 3087, nxpk= 25, iat=1476, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1466,1467,
&end
#
# 97 ILE HN 96 PRO HG- 5.50 (# 3088:25 Unique 4.00, 5.20 A)
&rst
ixpk= 3088, nxpk= 25, iat=1476, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1466,1467,
&end
#
# 0 AMB 25-2:3090 0 AMB 25-1:3090 2.80 (# 3090:25 Double Ambig)
&rst
ixpk= 3090, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1463,1464,1986,
igr2=1466,1467,1991,
&end
#
# 96 PRO HD+ 96 PRO HG+ 2.80 (# 3091:25 Unique 2.29, 2.60 A)
&rst
ixpk= 3091, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1463,1464,
igr2=1466,1467,
&end
#
# 95 GLU HA 96 PRO HG+ 4.50 (# 3092:25 Unique 4.11, 4.58 A)
&rst
ixpk= 3092, nxpk= 25, iat=1449, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1466,1467,
&end
#
# 140 LEU HN 140 LEU HG 2.80 (# 3095:25 Unique 2.27, 2.58 A)
&rst
ixpk= 3095, nxpk= 25, iat=2122,2129, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 96 PRO HB- 96 PRO HG+ 2.80 (# 3096:25 Unique 2.32, 2.62 A)
&rst
ixpk= 3096, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1469,1470,
igr2=1466,1467,
&end
#
# 96 PRO HB- 96 PRO HG- 2.80 (# 3097:25 Unique 2.32, 2.62 A)
&rst
ixpk= 3097, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1469,1470,
igr2=1466,1467,
&end
#
# 96 PRO HB+ 96 PRO HG+ 2.80 (# 3098:25 Unique 2.32, 2.62 A)
&rst
ixpk= 3098, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1469,1470,
igr2=1466,1467,
&end
#
# 96 PRO HB+ 96 PRO HD- 5.50 (# 3099:25 Unique 2.75, 3.69 A)
&rst
ixpk= 3099, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1469,1470,
igr2=1463,1464,
&end
#
# 96 PRO HB+ 96 PRO HD+ 4.50 (# 3100:25 Unique 2.75, 3.69 A)
&rst
ixpk= 3100, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1469,1470,
igr2=1463,1464,
&end
#
# 96 PRO HB- 96 PRO HD- 4.50 (# 3101:25 Unique 2.75, 3.69 A)
&rst
ixpk= 3101, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1469,1470,
igr2=1463,1464,
&end
#
# 96 PRO HG- 96 PRO HD- 3.50 (# 3103:25 Unique 2.29, 2.60 A)
&rst
ixpk= 3103, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1466,1467,
igr2=1463,1464,
&end
#
# 96 PRO HG- 96 PRO HD+ 3.50 (# 3104:25 Unique 2.29, 2.60 A)
&rst
ixpk= 3104, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1466,1467,
igr2=1463,1464,
&end
#
# 96 PRO HG+ 96 PRO HD- 2.80 (# 3105:25 Unique 2.29, 2.60 A)
&rst
ixpk= 3105, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1466,1467,
igr2=1463,1464,
&end
#
# 96 PRO HG+ 96 PRO HD+ 2.80 (# 3106:25 Unique 2.29, 2.60 A)
&rst
ixpk= 3106, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1466,1467,
igr2=1463,1464,
&end
#
# 0 AMB 25-2:3109 0 AMB 25-1:3109 2.80 (# 3109:25 Double Ambig)
&rst
ixpk= 3109, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1451,1452,1451,1452,
igr2=1463,1464,1463,1464,
&end
#
# 95 GLU HG+ 96 PRO HD+ 2.80 (# 3110:25 Unique 2.28, 4.13 A)
&rst
ixpk= 3110, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1454,1455,
igr2=1463,1464,
&end
#
# 95 GLU HA 96 PRO HD- 2.80 (# 3111:25 Unique 2.06, 2.47 A)
&rst
ixpk= 3111, nxpk= 25, iat=1449, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1463,1464,
&end
#
# 95 GLU HA 96 PRO HD+ 2.80 (# 3112:25 Unique 2.06, 2.47 A)
&rst
ixpk= 3112, nxpk= 25, iat=1449, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1463,1464,
&end
#
# 95 GLU HN 96 PRO HD- 5.50 (# 3115:25 Unique 4.25, 4.85 A)
&rst
ixpk= 3115, nxpk= 25, iat=1447, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1463,1464,
&end
#
# 0 AMB 25-2:3116 97 ILE HA 3.50 (# 3116:25 Single Ambig)
&rst
ixpk= 3116, nxpk= 25, iat= -1,1478, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1476, 971,
&end
#
# 98 LYS HN 97 ILE HA 2.80 (# 3117:25 Unique 1.91, 2.17 A)
&rst
ixpk= 3117, nxpk= 25, iat=1495,1478, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 GLY HA+ 97 ILE HA 2.80 (# 3118:25 Unique 2.14, 2.97 A)
&rst
ixpk= 3118, nxpk= 25, iat= -1,1478, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 973, 974,
&end
#
# 97 ILE QD1 97 ILE HA 2.80 (# 3119:25 Unique 2.19, 3.04 A)
&rst
ixpk= 3119, nxpk= 25, iat= -1,1478, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1489,1490,1491,
&end
#
# 97 ILE QG2 97 ILE HB 2.80 (# 3120:25 Unique 2.38, 2.66 A)
&rst
ixpk= 3120, nxpk= 25, iat= -1,1480, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1482,1483,1484,
&end
#
# 100 LEU MDX 97 ILE HB 3.50 (# 3121:25 Unique 3.09, 4.71 A)
&rst
ixpk= 3121, nxpk= 25, iat= -1,1480, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1545,1546,1547,1549,1550,1551,
&end
#
# 97 ILE HG1- 97 ILE HB 2.80 (# 3122:25 Unique 2.33, 2.42 A)
&rst
ixpk= 3122, nxpk= 25, iat= -1,1480, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1486,1487,
&end
#
# 90 PHE HD 97 ILE HB 4.50 (# 3124:25 Unique 3.60, 5.92 A)
&rst
ixpk= 3124, nxpk= 25, iat= -1,1480, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1388,1396,
&end
#
# 98 LYS HN 97 ILE HB 5.50 (# 3125:25 Unique 4.09, 4.45 A)
&rst
ixpk= 3125, nxpk= 25, iat=1495,1480, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 VAL HN 97 ILE HB 4.50 (# 3126:25 Unique 3.47, 4.01 A)
&rst
ixpk= 3126, nxpk= 25, iat=1343,1480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 ILE HN 97 ILE HB 2.80 (# 3127:25 Unique 2.39, 2.56 A)
&rst
ixpk= 3127, nxpk= 25, iat=1476,1480, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 ILE HN 97 ILE HG1- 3.50 (# 3128:25 Unique 2.17, 3.21 A)
&rst
ixpk= 3128, nxpk= 25, iat=1476, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1486,1487,
&end
#
# 90 PHE HD 97 ILE HG1- 4.50 (# 3129:25 Unique 2.13, 4.66 A)
&rst
ixpk= 3129, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1388,1396,
igr2=1486,1487,
&end
#
# 97 ILE QD1 97 ILE HG1- 2.80 (# 3130:25 Unique 2.39, 2.66 A)
&rst
ixpk= 3130, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1489,1490,1491,
igr2=1486,1487,
&end
#
# 97 ILE HB 97 ILE HG1+ 3.50 (# 3132:25 Unique 2.33, 2.42 A)
&rst
ixpk= 3132, nxpk= 25, iat=1480, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1486,1487,
&end
#
# 90 PHE HD 97 ILE HG1+ 4.50 (# 3135:25 Unique 2.13, 4.66 A)
&rst
ixpk= 3135, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1388,1396,
igr2=1486,1487,
&end
#
# 7 PHE HD 0 AMB 25-1:3136 4.50 (# 3136:25 Single Ambig)
&rst
ixpk= 3136, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 116, 124,
igr2= 189, 190,1240,
&end
#
# 97 ILE HN 97 ILE HG1+ 4.50 (# 3137:25 Unique 2.17, 3.21 A)
&rst
ixpk= 3137, nxpk= 25, iat=1476, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1486,1487,
&end
#
# 0 AMB 25-2:3138 97 ILE QD1 3.50 (# 3138:25 Single Ambig)
&rst
ixpk= 3138, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 971,1476,
igr2=1489,1490,1491,
&end
#
# 63 VAL HN 97 ILE QD1 4.50 (# 3139:25 Unique 2.66, 3.86 A)
&rst
ixpk= 3139, nxpk= 25, iat= 978, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1489,1490,1491,
&end
#
# 98 LYS HN 97 ILE QD1 4.50 (# 3140:25 Unique 3.97, 5.05 A)
&rst
ixpk= 3140, nxpk= 25, iat=1495, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1489,1490,1491,
&end
#
# 0 AMB 25-2:3141 97 ILE QD1 4.50 (# 3141:25 Single Ambig)
&rst
ixpk= 3141, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1447,1517, 947,
igr2=1489,1490,1491,
&end
#
# 93 ASN HD2+ 97 ILE QD1 4.50 (# 3142:25 Unique 2.19, 5.22 A)
&rst
ixpk= 3142, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1430,1431,
igr2=1489,1490,1491,
&end
#
# 90 PHE HD 97 ILE QD1 4.50 (# 3143:25 Unique 2.67, 6.08 A)
&rst
ixpk= 3143, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1388,1396,
igr2=1489,1490,1491,
&end
#
# 64 ALA HA 97 ILE QD1 5.50 (# 3144:25 Unique 4.37, 5.58 A)
&rst
ixpk= 3144, nxpk= 25, iat= 996, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1489,1490,1491,
&end
#
# 63 VAL HA 97 ILE QD1 5.50 (# 3145:25 Unique 3.78, 5.19 A)
&rst
ixpk= 3145, nxpk= 25, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1489,1490,1491,
&end
#
# 62 GLY HA+ 97 ILE QD1 3.50 (# 3148:25 Unique 2.19, 3.97 A)
&rst
ixpk= 3148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 973, 974,
igr2=1489,1490,1491,
&end
#
# 97 ILE HA 97 ILE QD1 3.50 (# 3149:25 Unique 2.19, 3.04 A)
&rst
ixpk= 3149, nxpk= 25, iat=1478, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1489,1490,1491,
&end
#
# 90 PHE HB+ 97 ILE QD1 5.50 (# 3150:25 Unique 3.00, 5.68 A)
&rst
ixpk= 3150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1384,1385,
igr2=1489,1490,1491,
&end
#
# 0 AMB 25-2:3152 97 ILE QD1 4.50 (# 3152:25 Single Ambig)
&rst
ixpk= 3152, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1425,1426,1384,1385,
igr2=1489,1490,1491,
&end
#
# 97 ILE HB 97 ILE QD1 3.50 (# 3153:25 Unique 3.79, 3.99 A)
&rst
ixpk= 3153, nxpk= 25, iat=1480, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1489,1490,1491,
&end
#
# 0 AMB 25-2:3154 97 ILE QD1 5.50 (# 3154:25 Single Ambig)
&rst
ixpk= 3154, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 982, 964, 965, 913,
igr2=1489,1490,1491,
&end
#
# 64 ALA MB 97 ILE QD1 3.50 (# 3160:25 Unique 2.54, 4.90 A)
&rst
ixpk= 3160, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 998, 999,1000,
igr2=1489,1490,1491,
&end
#
# 58 ILE QD1 97 ILE QD1 2.80 (# 3162:25 Unique 2.23, 3.80 A)
&rst
ixpk= 3162, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 922, 923, 924,
igr2=1489,1490,1491,
&end
#
# 100 LEU HG 97 ILE QG2 2.80 (# 3163:25 Unique 2.21, 2.82 A)
&rst
ixpk= 3163, nxpk= 25, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1482,1483,1484,
&end
#
# 97 ILE HB 97 ILE QG2 2.80 (# 3164:25 Unique 2.38, 2.66 A)
&rst
ixpk= 3164, nxpk= 25, iat=1480, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1482,1483,1484,
&end
#
# 97 ILE HA 97 ILE QG2 3.50 (# 3165:25 Unique 2.33, 3.11 A)
&rst
ixpk= 3165, nxpk= 25, iat=1478, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1482,1483,1484,
&end
#
# 99 LEU HN 97 ILE QG2 3.50 (# 3168:25 Unique 2.03, 3.27 A)
&rst
ixpk= 3168, nxpk= 25, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1482,1483,1484,
&end
#
# 98 LYS HN 97 ILE QG2 3.50 (# 3169:25 Unique 3.06, 4.27 A)
&rst
ixpk= 3169, nxpk= 25, iat=1495, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1482,1483,1484,
&end
#
# 64 ALA HN 97 ILE QG2 3.50 (# 3170:25 Unique 2.80, 3.44 A)
&rst
ixpk= 3170, nxpk= 25, iat= 994, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1482,1483,1484,
&end
#
# 84 LEU HN 98 LYS HA 3.50 (# 3171:25 Unique 1.94, 2.31 A)
&rst
ixpk= 3171, nxpk= 25, iat=1285,1497, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 LYS HN 98 LYS HA 4.50 (# 3172:25 Unique 2.77, 2.81 A)
&rst
ixpk= 3172, nxpk= 25, iat=1495,1497, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 GLU HN 94 ASP HA 3.50 (# 3173:25 Unique 3.51, 3.54 A)
&rst
ixpk= 3173, nxpk= 25, iat=1447,1437, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:3174 98 LYS HA 4.50 (# 3174:25 Single Ambig)
&rst
ixpk= 3174, nxpk= 25, iat= -1,1497, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1268,1287,
&end
#
# 87 GLY HA+ 98 LYS HA 5.50 (# 3175:25 Unique 2.47, 3.94 A)
&rst
ixpk= 3175, nxpk= 25, iat= -1,1497, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1338,1339,
&end
#
# 98 LYS HB+ 98 LYS HA 3.50 (# 3176:25 Unique 2.36, 2.74 A)
&rst
ixpk= 3176, nxpk= 25, iat= -1,1497, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1499,1500,
&end
#
# 84 LEU HB- 98 LYS HA 3.50 (# 3177:25 Unique 2.09, 3.05 A)
&rst
ixpk= 3177, nxpk= 25, iat= -1,1497, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1289,1290,
&end
#
# 98 LYS HB- 98 LYS HA 3.50 (# 3178:25 Unique 2.36, 2.74 A)
&rst
ixpk= 3178, nxpk= 25, iat= -1,1497, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1499,1500,
&end
#
# 0 AMB 25-2:3179 98 LYS HA 3.50 (# 3179:25 Single Ambig)
&rst
ixpk= 3179, nxpk= 25, iat= -1,1497, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1289,1290,1502,1503,
&end
#
# 98 LYS HG- 98 LYS HA 3.50 (# 3180:25 Unique 2.37, 3.06 A)
&rst
ixpk= 3180, nxpk= 25, iat= -1,1497, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1502,1503,
&end
#
# 0 AMB 25-2:3181 98 LYS HA 3.50 (# 3181:25 Single Ambig)
&rst
ixpk= 3181, nxpk= 25, iat= -1,1497, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1275,1276,1277,1279,1280,1281,1545,1546,1547,1549,
1550,1551,1292,1469,1470,
&end
#
# 97 ILE QG2 98 LYS HA 4.50 (# 3182:25 Unique 3.83, 5.23 A)
&rst
ixpk= 3182, nxpk= 25, iat= -1,1497, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1482,1483,1484,
&end
#
# 98 LYS HG- 98 LYS HB+ 2.80 (# 3183:25 Unique 2.25, 2.76 A)
&rst
ixpk= 3183, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1502,1503,
igr2=1499,1500,
&end
#
# 98 LYS HG+ 98 LYS HB+ 2.80 (# 3184:25 Unique 2.25, 2.76 A)
&rst
ixpk= 3184, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1502,1503,
igr2=1499,1500,
&end
#
# 98 LYS HE- 98 LYS HB+ 3.50 (# 3186:25 Unique 1.99, 3.60 A)
&rst
ixpk= 3186, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1508,1509,
igr2=1499,1500,
&end
#
# 83 LEU MDY 98 LYS HB- 3.50 (# 3188:25 Unique 2.29, 4.75 A)
&rst
ixpk= 3188, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1499,1500,
&end
#
# 98 LYS HG- 98 LYS HB- 3.50 (# 3189:25 Unique 2.25, 2.76 A)
&rst
ixpk= 3189, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1502,1503,
igr2=1499,1500,
&end
#
# 98 LYS HE- 98 LYS HB- 4.50 (# 3191:25 Unique 1.99, 3.60 A)
&rst
ixpk= 3191, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1508,1509,
igr2=1499,1500,
&end
#
# 98 LYS HE- 98 LYS HB- 4.50 (# 3192:25 Unique 1.99, 3.60 A)
&rst
ixpk= 3192, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1508,1509,
igr2=1499,1500,
&end
#
# 98 LYS HA 98 LYS HB- 4.50 (# 3193:25 Unique 2.36, 2.74 A)
&rst
ixpk= 3193, nxpk= 25, iat=1497, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1499,1500,
&end
#
# 98 LYS HA 98 LYS HB+ 2.80 (# 3194:25 Unique 2.36, 2.74 A)
&rst
ixpk= 3194, nxpk= 25, iat=1497, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1499,1500,
&end
#
# 99 LEU HN 98 LYS HB+ 4.50 (# 3196:25 Unique 2.38, 3.51 A)
&rst
ixpk= 3196, nxpk= 25, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1499,1500,
&end
#
# 98 LYS HN 98 LYS HB+ 3.50 (# 3197:25 Unique 2.27, 3.08 A)
&rst
ixpk= 3197, nxpk= 25, iat=1495, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1499,1500,
&end
#
# 98 LYS HN 98 LYS HB- 3.50 (# 3198:25 Unique 2.27, 3.08 A)
&rst
ixpk= 3198, nxpk= 25, iat=1495, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1499,1500,
&end
#
# 84 LEU HN 98 LYS HB- 5.50 (# 3199:25 Unique 2.41, 3.77 A)
&rst
ixpk= 3199, nxpk= 25, iat=1285, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1499,1500,
&end
#
# 84 LEU HN 98 LYS HB+ 4.50 (# 3200:25 Unique 2.41, 3.77 A)
&rst
ixpk= 3200, nxpk= 25, iat=1285, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1499,1500,
&end
#
# 87 GLY HN 98 LYS HG- 4.50 (# 3201:25 Unique 2.31, 3.91 A)
&rst
ixpk= 3201, nxpk= 25, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1502,1503,
&end
#
# 87 GLY HN 98 LYS HG+ 4.50 (# 3202:25 Unique 2.31, 3.91 A)
&rst
ixpk= 3202, nxpk= 25, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1502,1503,
&end
#
# 98 LYS HA 98 LYS HG+ 4.50 (# 3203:25 Unique 2.37, 3.06 A)
&rst
ixpk= 3203, nxpk= 25, iat=1497, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1502,1503,
&end
#
# 98 LYS HA 98 LYS HG- 3.50 (# 3204:25 Unique 2.37, 3.06 A)
&rst
ixpk= 3204, nxpk= 25, iat=1497, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1502,1503,
&end
#
# 0 AMB 25-2:3205 0 AMB 25-1:3205 5.50 (# 3205:25 Double Ambig)
&rst
ixpk= 3205, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1382,1321,
igr2= 320, 321,1502,1503,
&end
#
# 87 GLY HA+ 98 LYS HG- 4.50 (# 3206:25 Unique 2.55, 4.64 A)
&rst
ixpk= 3206, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1338,1339,
igr2=1502,1503,
&end
#
# 98 LYS HB+ 98 LYS HG- 3.50 (# 3208:25 Unique 2.25, 2.76 A)
&rst
ixpk= 3208, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1499,1500,
igr2=1502,1503,
&end
#
# 0 AMB 25-2:3209 0 AMB 25-1:3209 2.80 (# 3209:25 Double Ambig)
&rst
ixpk= 3209, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1=1526,1527,1528,1530,1531,1532,2012,2013,2014,2016,
2017,2018,2012,2013,2014,2016,2017,2018,
igr2=1521,1522,1521,1522,1521,1522,
&end
#
# 0 AMB 25-2:3210 99 LEU HB- 2.80 (# 3210:25 Single Ambig)
&rst
ixpk= 3210, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1526,1527,1528,1530,1531,1532,2012,2013,2014,2016,
2017,2018,2012,2013,2014,2016,2017,2018,
igr2=1521,1522,
&end
#
# 99 LEU HG 99 LEU HB- 2.80 (# 3212:25 Unique 2.23, 2.59 A)
&rst
ixpk= 3212, nxpk= 25, iat=1524, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1521,1522,
&end
#
# 63 VAL HA 99 LEU HB- 3.50 (# 3215:25 Unique 2.19, 3.27 A)
&rst
ixpk= 3215, nxpk= 25, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1521,1522,
&end
#
# 99 LEU HA 99 LEU HB- 3.50 (# 3216:25 Unique 2.42, 2.79 A)
&rst
ixpk= 3216, nxpk= 25, iat=1519, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1521,1522,
&end
#
# 63 VAL HA 99 LEU HB+ 3.50 (# 3217:25 Unique 2.19, 3.27 A)
&rst
ixpk= 3217, nxpk= 25, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1521,1522,
&end
#
# 99 LEU HA 99 LEU HB+ 3.50 (# 3218:25 Unique 2.42, 2.79 A)
&rst
ixpk= 3218, nxpk= 25, iat=1519, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1521,1522,
&end
#
# 99 LEU HN 99 LEU HB+ 3.50 (# 3219:25 Unique 2.31, 2.85 A)
&rst
ixpk= 3219, nxpk= 25, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1521,1522,
&end
#
# 99 LEU HN 99 LEU HB- 3.50 (# 3220:25 Unique 2.31, 2.85 A)
&rst
ixpk= 3220, nxpk= 25, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1521,1522,
&end
#
# 64 ALA HN 99 LEU HB+ 4.50 (# 3221:25 Unique 3.26, 4.47 A)
&rst
ixpk= 3221, nxpk= 25, iat= 994, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1521,1522,
&end
#
# 100 LEU HN 99 LEU HB+ 5.50 (# 3222:25 Unique 3.03, 4.13 A)
&rst
ixpk= 3222, nxpk= 25, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1521,1522,
&end
#
# 64 ALA HN 99 LEU HB- 5.50 (# 3223:25 Unique 3.26, 4.47 A)
&rst
ixpk= 3223, nxpk= 25, iat= 994, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1521,1522,
&end
#
# 100 LEU HN 99 LEU HB- 4.50 (# 3224:25 Unique 3.03, 4.13 A)
&rst
ixpk= 3224, nxpk= 25, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1521,1522,
&end
#
# 100 LEU HN 99 LEU HA 2.80 (# 3225:25 Unique 2.00, 2.10 A)
&rst
ixpk= 3225, nxpk= 25, iat=1536,1519, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 82 THR HN 99 LEU HA 5.50 (# 3226:25 Unique 4.10, 4.42 A)
&rst
ixpk= 3226, nxpk= 25, iat=1252,1519, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 LEU HN 99 LEU HA 5.50 (# 3227:25 Unique 4.85, 5.03 A)
&rst
ixpk= 3227, nxpk= 25, iat=1266,1519, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 LYS HN 99 LEU HA 5.50 (# 3228:25 Unique 4.99, 5.30 A)
&rst
ixpk= 3228, nxpk= 25, iat=1495,1519, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 LEU HN 99 LEU HA 4.50 (# 3229:25 Unique 2.93, 2.97 A)
&rst
ixpk= 3229, nxpk= 25, iat=1517,1519, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3230 100 LEU HA 4.50 (# 3230:25 Single Ambig)
&rst
ixpk= 3230, nxpk= 25, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 437, 438,1256,
&end
#
# 99 LEU HB+ 99 LEU HA 3.50 (# 3231:25 Unique 2.42, 2.79 A)
&rst
ixpk= 3231, nxpk= 25, iat= -1,1519, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1521,1522,
&end
#
# 99 LEU HG 99 LEU HA 3.50 (# 3232:25 Unique 2.73, 3.40 A)
&rst
ixpk= 3232, nxpk= 25, iat=1524,1519, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 LEU HB- 99 LEU HA 2.80 (# 3233:25 Unique 2.42, 2.79 A)
&rst
ixpk= 3233, nxpk= 25, iat= -1,1519, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1521,1522,
&end
#
# 0 AMB 25-2:3234 99 LEU HA 2.80 (# 3234:25 Single Ambig)
&rst
ixpk= 3234, nxpk= 25, iat= -1,1519, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1526,1527,1528,1530,1531,1532,1545,1546,1547,1549,
1550,1551,
&end
#
# 0 AMB 25-2:3235 99 LEU HA 3.50 (# 3235:25 Single Ambig)
&rst
ixpk= 3235, nxpk= 25, iat= -1,1519, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1482,1483,1484,2131,2132,2133,2135,2136,2137,
&end
#
# 0 AMB 25-2:3237 0 AMB 25-1:3237 3.50 (# 3237:25 Double Ambig)
&rst
ixpk= 3237, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
2017,2018,
igr2=1508,1509,1508,1509,
&end
#
# 83 LEU MDY 98 LYS HE+ 5.50 (# 3238:25 Unique 2.89, 6.17 A)
&rst
ixpk= 3238, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1508,1509,
&end
#
# 0 AMB 25-2:3239 98 LYS HE- 4.50 (# 3239:25 Single Ambig)
&rst
ixpk= 3239, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
2017,2018,
igr2=1508,1509,
&end
#
# 83 LEU MDY 98 LYS HE- 5.50 (# 3240:25 Unique 2.89, 6.17 A)
&rst
ixpk= 3240, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1508,1509,
&end
#
# 98 LYS HG- 98 LYS HE+ 4.50 (# 3241:25 Unique 2.16, 3.21 A)
&rst
ixpk= 3241, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1502,1503,
igr2=1508,1509,
&end
#
# 98 LYS HG- 98 LYS HE- 4.50 (# 3242:25 Unique 2.16, 3.21 A)
&rst
ixpk= 3242, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1502,1503,
igr2=1508,1509,
&end
#
# 0 AMB 25-2:3243 0 AMB 25-1:3243 2.80 (# 3243:25 Double Ambig)
&rst
ixpk= 3243, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1502,1503,2007,2008,
igr2=1508,1509,1508,1509,
&end
#
# 98 LYS HB- 98 LYS HE+ 3.50 (# 3244:25 Unique 1.99, 3.60 A)
&rst
ixpk= 3244, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1499,1500,
igr2=1508,1509,
&end
#
# 19 LYS HG- 19 LYS HE+ 3.50 (# 3245:25 Unique 2.37, 3.13 A)
&rst
ixpk= 3245, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 289, 290,
igr2= 295, 296,
&end
#
# 98 LYS HB+ 98 LYS HE+ 3.50 (# 3248:25 Unique 1.99, 3.60 A)
&rst
ixpk= 3248, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1499,1500,
igr2=1508,1509,
&end
#
# 98 LYS HB+ 98 LYS HE- 4.50 (# 3249:25 Unique 1.99, 3.60 A)
&rst
ixpk= 3249, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1499,1500,
igr2=1508,1509,
&end
#
# 85 GLU HA 98 LYS HE+ 5.50 (# 3250:25 Unique 1.98, 3.83 A)
&rst
ixpk= 3250, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1508,1509,
&end
#
# 132 LEU HA 98 LYS HE+ 5.50 (# 3251:25 Unique 3.03, 5.29 A)
&rst
ixpk= 3251, nxpk= 25, iat=2005, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1508,1509,
&end
#
# 87 GLY HN 98 LYS HE+ 5.50 (# 3256:25 Unique 4.07, 5.74 A)
&rst
ixpk= 3256, nxpk= 25, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1508,1509,
&end
#
# 87 GLY HN 98 LYS HE- 5.50 (# 3257:25 Unique 4.07, 5.74 A)
&rst
ixpk= 3257, nxpk= 25, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1508,1509,
&end
#
# 83 LEU HA 99 LEU MDX 3.50 (# 3260:25 Unique 2.25, 5.03 A)
&rst
ixpk= 3260, nxpk= 25, iat=1268, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 99 LEU HA 99 LEU MDX 2.80 (# 3261:25 Unique 2.14, 3.69 A)
&rst
ixpk= 3261, nxpk= 25, iat=1519, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 82 THR HN 99 LEU MDX 4.50 (# 3262:25 Unique 2.74, 5.18 A)
&rst
ixpk= 3262, nxpk= 25, iat=1252, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 100 LEU HN 99 LEU MDX 2.80 (# 3263:25 Unique 2.09, 4.15 A)
&rst
ixpk= 3263, nxpk= 25, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 101 ILE HN 100 LEU HA 2.80 (# 3264:25 Unique 2.14, 2.23 A)
&rst
ixpk= 3264, nxpk= 25, iat=1555,1538, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 ALA HN 100 LEU HA 3.50 (# 3265:25 Unique 2.64, 2.83 A)
&rst
ixpk= 3265, nxpk= 25, iat= 994,1538, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 MET HA 100 LEU HA 4.50 (# 3266:25 Unique 3.38, 3.71 A)
&rst
ixpk= 3266, nxpk= 25, iat=1006,1538, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 PRO HD- 100 LEU HA 4.50 (# 3267:25 Unique 2.89, 3.79 A)
&rst
ixpk= 3267, nxpk= 25, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1022,1023,
&end
#
# 66 PRO HD+ 100 LEU HA 5.50 (# 3268:25 Unique 2.89, 3.79 A)
&rst
ixpk= 3268, nxpk= 25, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1022,1023,
&end
#
# 100 LEU HB+ 100 LEU HA 2.80 (# 3269:25 Unique 2.31, 2.70 A)
&rst
ixpk= 3269, nxpk= 25, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1540,1541,
&end
#
# 100 LEU HG 100 LEU HA 2.80 (# 3270:25 Unique 2.46, 2.60 A)
&rst
ixpk= 3270, nxpk= 25, iat=1543,1538, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 LEU HB- 100 LEU HA 2.80 (# 3271:25 Unique 2.31, 2.70 A)
&rst
ixpk= 3271, nxpk= 25, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1540,1541,
&end
#
# 83 LEU MDY 99 LEU HA 4.50 (# 3272:25 Unique 2.30, 5.20 A)
&rst
ixpk= 3272, nxpk= 25, iat= -1,1519, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 25-2:3273 100 LEU HA 3.50 (# 3273:25 Single Ambig)
&rst
ixpk= 3273, nxpk= 25, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1526,1527,1528,1530,1531,1532,1545,1546,1547,1549,
1550,1551,
&end
#
# 101 ILE HN 100 LEU HB+ 5.50 (# 3274:25 Unique 2.62, 3.51 A)
&rst
ixpk= 3274, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1540,1541,
&end
#
# 100 LEU HN 100 LEU HB+ 3.50 (# 3275:25 Unique 2.70, 3.43 A)
&rst
ixpk= 3275, nxpk= 25, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1540,1541,
&end
#
# 100 LEU HN 100 LEU HB- 4.50 (# 3276:25 Unique 2.70, 3.43 A)
&rst
ixpk= 3276, nxpk= 25, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1540,1541,
&end
#
# 101 ILE HN 100 LEU HB- 4.50 (# 3277:25 Unique 2.62, 3.51 A)
&rst
ixpk= 3277, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1540,1541,
&end
#
# 82 THR HN 100 LEU HB+ 5.50 (# 3278:25 Unique 3.37, 4.31 A)
&rst
ixpk= 3278, nxpk= 25, iat=1252, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1540,1541,
&end
#
# 82 THR HN 100 LEU HB- 5.50 (# 3279:25 Unique 3.37, 4.31 A)
&rst
ixpk= 3279, nxpk= 25, iat=1252, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1540,1541,
&end
#
# 100 LEU HA 100 LEU HB+ 3.50 (# 3282:25 Unique 2.31, 2.70 A)
&rst
ixpk= 3282, nxpk= 25, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1540,1541,
&end
#
# 100 LEU HA 100 LEU HB- 3.50 (# 3283:25 Unique 2.31, 2.70 A)
&rst
ixpk= 3283, nxpk= 25, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1540,1541,
&end
#
# 0 AMB 25-2:3286 0 AMB 25-1:3286 3.50 (# 3286:25 Double Ambig)
&rst
ixpk= 3286, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1256, 437, 438,
igr2=1540,1541,1540,1541,
&end
#
# 0 AMB 25-2:3287 100 LEU HB- 3.50 (# 3287:25 Single Ambig)
&rst
ixpk= 3287, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1256, 437, 438,
igr2=1540,1541,
&end
#
# 66 PRO HD+ 100 LEU HB- 5.50 (# 3288:25 Unique 2.26, 3.50 A)
&rst
ixpk= 3288, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1022,1023,
igr2=1540,1541,
&end
#
# 100 LEU HG 100 LEU HB+ 3.50 (# 3291:25 Unique 2.64, 2.86 A)
&rst
ixpk= 3291, nxpk= 25, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1540,1541,
&end
#
# 100 LEU HG 100 LEU HB- 3.50 (# 3292:25 Unique 2.64, 2.86 A)
&rst
ixpk= 3292, nxpk= 25, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1540,1541,
&end
#
# 100 LEU MDY 100 LEU HB- 2.80 (# 3294:25 Unique 2.31, 3.30 A)
&rst
ixpk= 3294, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1545,1546,1547,1549,1550,1551,
igr2=1540,1541,
&end
#
# 100 LEU MDX 100 LEU HB+ 2.80 (# 3295:25 Unique 2.31, 3.30 A)
&rst
ixpk= 3295, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1545,1546,1547,1549,1550,1551,
igr2=1540,1541,
&end
#
# 134 ALA HN 83 LEU MDX 4.50 (# 3298:25 Unique 2.48, 4.58 A)
&rst
ixpk= 3298, nxpk= 25, iat=2036, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 25-2:3302 101 ILE HA 3.50 (# 3302:25 Single Ambig)
&rst
ixpk= 3302, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1568,1569,1570,1242,1243,1244,1246,1247,1248,
&end
#
# 101 ILE QG2 101 ILE HA 2.80 (# 3303:25 Unique 2.64, 3.33 A)
&rst
ixpk= 3303, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1561,1562,1563,
&end
#
# 101 ILE HG1+ 101 ILE HA 3.50 (# 3304:25 Unique 2.07, 2.69 A)
&rst
ixpk= 3304, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1565,1566,
&end
#
# 0 AMB 25-2:3305 101 ILE HA 3.50 (# 3305:25 Single Ambig)
&rst
ixpk= 3305, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1559,1540,1541,
&end
#
# 0 AMB 25-2:3306 101 ILE HA 5.50 (# 3306:25 Single Ambig)
&rst
ixpk= 3306, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1011,1012,1008,1009,1212,1213,
&end
#
# 0 AMB 25-2:3307 101 ILE HA 4.50 (# 3307:25 Single Ambig)
&rst
ixpk= 3307, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1022,1023,1576,1577,
&end
#
# 65 MET HA 101 ILE HA 5.50 (# 3311:25 Unique 4.43, 4.66 A)
&rst
ixpk= 3311, nxpk= 25, iat=1006,1557, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 GLY HN 101 ILE HA 2.80 (# 3312:25 Unique 2.03, 2.09 A)
&rst
ixpk= 3312, nxpk= 25, iat=1574,1557, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 SER HN 101 ILE HA 4.50 (# 3313:25 Unique 4.15, 4.28 A)
&rst
ixpk= 3313, nxpk= 25, iat=1222,1557, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3314 101 ILE HA 4.50 (# 3314:25 Single Ambig)
&rst
ixpk= 3314, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1252,1233,
&end
#
# 101 ILE HN 101 ILE HA 4.50 (# 3315:25 Unique 2.95, 2.97 A)
&rst
ixpk= 3315, nxpk= 25, iat=1555,1557, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 101 ILE HN 101 ILE HB 3.50 (# 3316:25 Unique 2.30, 2.57 A)
&rst
ixpk= 3316, nxpk= 25, iat=1555,1559, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 MET HA 101 ILE HB 3.50 (# 3317:25 Unique 3.23, 3.47 A)
&rst
ixpk= 3317, nxpk= 25, iat=1006,1559, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 ILE HA 101 ILE HB 3.50 (# 3318:25 Unique 3.04, 3.05 A)
&rst
ixpk= 3318, nxpk= 25, iat=1557,1559, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:3320 101 ILE HB 3.50 (# 3320:25 Single Ambig)
&rst
ixpk= 3320, nxpk= 25, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1011,1012,1008,1009,
&end
#
# 0 AMB 25-2:3321 0 AMB 25-1:3321 3.50 (# 3321:25 Double Ambig)
&rst
ixpk= 3321, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1011,1012,2075,2076,
igr2=1559, 183,
&end
#
# 101 ILE QG2 101 ILE HB 2.80 (# 3322:25 Unique 2.31, 2.63 A)
&rst
ixpk= 3322, nxpk= 25, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1561,1562,1563,
&end
#
# 101 ILE HA 101 ILE HG1+ 3.50 (# 3323:25 Unique 2.07, 2.69 A)
&rst
ixpk= 3323, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1565,1566,
&end
#
# 101 ILE HA 101 ILE HG1- 3.50 (# 3324:25 Unique 2.07, 2.69 A)
&rst
ixpk= 3324, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1565,1566,
&end
#
# 101 ILE HN 101 ILE HG1- 4.50 (# 3325:25 Unique 3.21, 3.73 A)
&rst
ixpk= 3325, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 101 ILE HN 101 ILE QD1 4.50 (# 3326:25 Unique 2.63, 5.06 A)
&rst
ixpk= 3326, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1568,1569,1570,
&end
#
# 101 ILE HA 101 ILE QD1 4.50 (# 3327:25 Unique 2.50, 4.10 A)
&rst
ixpk= 3327, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1568,1569,1570,
&end
#
# 0 AMB 25-2:3328 101 ILE QD1 4.50 (# 3328:25 Single Ambig)
&rst
ixpk= 3328, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1235,1538,
igr2=1568,1569,1570,
&end
#
# 101 ILE HB 101 ILE QD1 2.80 (# 3329:25 Unique 2.52, 3.44 A)
&rst
ixpk= 3329, nxpk= 25, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1568,1569,1570,
&end
#
# 79 MET HB- 101 ILE QG2 4.50 (# 3330:25 Unique 2.97, 4.87 A)
&rst
ixpk= 3330, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1209,1210,
igr2=1561,1562,1563,
&end
#
# 101 ILE HB 101 ILE QG2 2.80 (# 3331:25 Unique 2.31, 2.63 A)
&rst
ixpk= 3331, nxpk= 25, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1561,1562,1563,
&end
#
# 101 ILE HG1+ 101 ILE QG2 3.50 (# 3332:25 Unique 2.33, 3.56 A)
&rst
ixpk= 3332, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1565,1566,
igr2=1561,1562,1563,
&end
#
# 65 MET HG- 101 ILE QG2 4.50 (# 3333:25 Unique 2.20, 4.16 A)
&rst
ixpk= 3333, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1011,1012,
igr2=1561,1562,1563,
&end
#
# 65 MET HG+ 101 ILE QG2 3.50 (# 3334:25 Unique 2.20, 4.16 A)
&rst
ixpk= 3334, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1011,1012,
igr2=1561,1562,1563,
&end
#
# 0 AMB 25-2:3335 101 ILE QG2 5.50 (# 3335:25 Single Ambig)
&rst
ixpk= 3335, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1576,1577,1022,1023,
igr2=1561,1562,1563,
&end
#
# 103 LEU HA 101 ILE QG2 5.50 (# 3336:25 Unique 4.75, 5.46 A)
&rst
ixpk= 3336, nxpk= 25, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1561,1562,1563,
&end
#
# 101 ILE HA 101 ILE QG2 3.50 (# 3337:25 Unique 2.64, 3.33 A)
&rst
ixpk= 3337, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1561,1562,1563,
&end
#
# 81 LEU HA 101 ILE QG2 4.50 (# 3338:25 Unique 3.81, 5.12 A)
&rst
ixpk= 3338, nxpk= 25, iat=1235, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1561,1562,1563,
&end
#
# 65 MET HA 101 ILE QG2 5.50 (# 3339:25 Unique 3.99, 5.12 A)
&rst
ixpk= 3339, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1561,1562,1563,
&end
#
# 102 GLY HN 101 ILE QG2 4.50 (# 3344:25 Unique 2.63, 3.73 A)
&rst
ixpk= 3344, nxpk= 25, iat=1574, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1561,1562,1563,
&end
#
# 80 SER HN 101 ILE QG2 4.50 (# 3345:25 Unique 3.11, 4.33 A)
&rst
ixpk= 3345, nxpk= 25, iat=1222, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1561,1562,1563,
&end
#
# 101 ILE HN 101 ILE QG2 4.50 (# 3346:25 Unique 3.92, 4.55 A)
&rst
ixpk= 3346, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1561,1562,1563,
&end
#
# 80 SER HN 102 GLY HA+ 4.50 (# 3347:25 Unique 3.32, 3.98 A)
&rst
ixpk= 3347, nxpk= 25, iat=1222, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1576,1577,
&end
#
# 103 LEU HN 102 GLY HA- 2.80 (# 3348:25 Unique 2.25, 2.61 A)
&rst
ixpk= 3348, nxpk= 25, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1576,1577,
&end
#
# 102 GLY HN 102 GLY HA+ 2.80 (# 3349:25 Unique 2.33, 2.68 A)
&rst
ixpk= 3349, nxpk= 25, iat=1574, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1576,1577,
&end
#
# 101 ILE HA 102 GLY HA+ 5.50 (# 3353:25 Unique 4.31, 4.39 A)
&rst
ixpk= 3353, nxpk= 25, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1576,1577,
&end
#
# 0 AMB 25-2:3354 0 AMB 25-1:3354 5.50 (# 3354:25 Double Ambig)
&rst
ixpk= 3354, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1207,1235,
igr2=1576,1577,1576,1577,
&end
#
# 103 LEU HA 102 GLY HA+ 5.50 (# 3355:25 Unique 4.40, 4.53 A)
&rst
ixpk= 3355, nxpk= 25, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1576,1577,
&end
#
# 66 PRO HD+ 102 GLY HA+ 5.50 (# 3361:25 Unique 2.56, 4.73 A)
&rst
ixpk= 3361, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1022,1023,
igr2=1576,1577,
&end
#
# 29 MET ME 102 GLY HA+ 3.50 (# 3362:25 Unique 2.12, 3.03 A)
&rst
ixpk= 3362, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 455, 456, 457,
igr2=1576,1577,
&end
#
# 29 MET ME 102 GLY HA- 3.50 (# 3363:25 Unique 2.12, 3.03 A)
&rst
ixpk= 3363, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 455, 456, 457,
igr2=1576,1577,
&end
#
# 0 AMB 25-2:3364 0 AMB 25-1:3364 5.50 (# 3364:25 Double Ambig)
&rst
ixpk= 3364, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1585,1586,1209,1210,
igr2=1576,1577,1576,1577,
&end
#
# 32 LEU HG 102 GLY HA+ 5.50 (# 3365:25 Unique 4.35, 5.40 A)
&rst
ixpk= 3365, nxpk= 25, iat= 495, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1576,1577,
&end
#
# 0 AMB 25-2:3366 0 AMB 25-1:3366 5.50 (# 3366:25 Double Ambig)
&rst
ixpk= 3366, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1585,1586,1540,1541, 492, 493,
igr2=1576,1577,1576,1577,1576,1577,
&end
#
# 101 ILE QG2 102 GLY HA+ 5.50 (# 3367:25 Unique 3.78, 5.18 A)
&rst
ixpk= 3367, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1561,1562,1563,
igr2=1576,1577,
&end
#
# 32 LEU MDX 102 GLY HA+ 4.50 (# 3368:25 Unique 3.04, 5.60 A)
&rst
ixpk= 3368, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1576,1577,
&end
#
# 118 LEU MDX 102 GLY HA+ 5.50 (# 3369:25 Unique 5.28, 7.73 A)
&rst
ixpk= 3369, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1784,1785,1786,1788,1789,1790,
igr2=1576,1577,
&end
#
# 32 LEU MDX 102 GLY HA- 5.50 (# 3370:25 Unique 3.04, 5.60 A)
&rst
ixpk= 3370, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1576,1577,
&end
#
# 0 AMB 25-2:3375 0 AMB 25-1:3375 5.50 (# 3375:25 Double Ambig)
&rst
ixpk= 3375, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1028,1029,1540,1541,
igr2=1576,1577,1576,1577,
&end
#
# 66 PRO HD+ 102 GLY HA- 5.50 (# 3376:25 Unique 2.56, 4.73 A)
&rst
ixpk= 3376, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1022,1023,
igr2=1576,1577,
&end
#
# 32 LEU MDY 103 LEU HA 5.50 (# 3377:25 Unique 3.05, 4.58 A)
&rst
ixpk= 3377, nxpk= 25, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 103 LEU MDX 103 LEU HA 4.50 (# 3378:25 Unique 2.82, 4.22 A)
&rst
ixpk= 3378, nxpk= 25, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 103 LEU MDY 103 LEU HA 2.80 (# 3379:25 Unique 2.82, 4.22 A)
&rst
ixpk= 3379, nxpk= 25, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 25-2:3380 103 LEU HA 2.80 (# 3380:25 Single Ambig)
&rst
ixpk= 3380, nxpk= 25, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1588,1585,1586,
&end
#
# 0 AMB 25-2:3381 103 LEU HA 3.50 (# 3381:25 Single Ambig)
&rst
ixpk= 3381, nxpk= 25, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1585,1586,1209,1210,
&end
#
# 79 MET HG- 103 LEU HA 4.50 (# 3382:25 Unique 1.94, 2.69 A)
&rst
ixpk= 3382, nxpk= 25, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1212,1213,
&end
#
# 79 MET HG+ 103 LEU HA 3.50 (# 3384:25 Unique 1.94, 2.69 A)
&rst
ixpk= 3384, nxpk= 25, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1212,1213,
&end
#
# 104 SER HB- 103 LEU HA 5.50 (# 3385:25 Unique 4.62, 5.26 A)
&rst
ixpk= 3385, nxpk= 25, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1604,1605,
&end
#
# 0 AMB 25-2:3386 103 LEU HA 5.50 (# 3386:25 Single Ambig)
&rst
ixpk= 3386, nxpk= 25, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1604,1605,1226,1227,
&end
#
# 79 MET HA 103 LEU HA 3.50 (# 3390:25 Unique 1.95, 2.08 A)
&rst
ixpk= 3390, nxpk= 25, iat=1207,1583, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 LEU HN 103 LEU HA 4.50 (# 3391:25 Unique 2.88, 2.90 A)
&rst
ixpk= 3391, nxpk= 25, iat=1581,1583, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 SER HN 103 LEU HA 4.50 (# 3392:25 Unique 3.77, 3.87 A)
&rst
ixpk= 3392, nxpk= 25, iat=1222,1583, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 104 SER HN 103 LEU HA 2.80 (# 3393:25 Unique 2.20, 2.26 A)
&rst
ixpk= 3393, nxpk= 25, iat=1600,1583, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 GLY HN 103 LEU HA 5.50 (# 3394:25 Unique 4.41, 4.47 A)
&rst
ixpk= 3394, nxpk= 25, iat=1198,1583, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 SER HN 103 LEU HB+ 5.50 (# 3396:25 Unique 3.75, 4.16 A)
&rst
ixpk= 3396, nxpk= 25, iat=1600, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1585,1586,
&end
#
# 103 LEU HN 103 LEU HB+ 4.50 (# 3397:25 Unique 2.83, 3.11 A)
&rst
ixpk= 3397, nxpk= 25, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1585,1586,
&end
#
# 103 LEU HN 103 LEU HB- 4.50 (# 3398:25 Unique 2.83, 3.11 A)
&rst
ixpk= 3398, nxpk= 25, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1585,1586,
&end
#
# 103 LEU HA 103 LEU HB- 4.50 (# 3399:25 Unique 2.51, 2.81 A)
&rst
ixpk= 3399, nxpk= 25, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1585,1586,
&end
#
# 67 HIS HB+ 103 LEU HB+ 4.50 (# 3402:25 Unique 2.32, 3.49 A)
&rst
ixpk= 3402, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1039,1040,
igr2=1585,1586,
&end
#
# 67 HIS HB+ 103 LEU HB- 4.50 (# 3403:25 Unique 2.32, 3.49 A)
&rst
ixpk= 3403, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1039,1040,
igr2=1585,1586,
&end
#
# 67 HIS HB- 103 LEU HB- 4.50 (# 3404:25 Unique 2.32, 3.49 A)
&rst
ixpk= 3404, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1039,1040,
igr2=1585,1586,
&end
#
# 67 HIS HB- 103 LEU HB+ 5.50 (# 3405:25 Unique 2.32, 3.49 A)
&rst
ixpk= 3405, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1039,1040,
igr2=1585,1586,
&end
#
# 79 MET HG+ 103 LEU HB- 5.50 (# 3406:25 Unique 2.45, 4.05 A)
&rst
ixpk= 3406, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1212,1213,
igr2=1585,1586,
&end
#
# 65 MET HG- 103 LEU HB- 5.50 (# 3407:25 Unique 3.74, 4.37 A)
&rst
ixpk= 3407, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1011,1012,
igr2=1585,1586,
&end
#
# 65 MET HG- 103 LEU HB+ 5.50 (# 3408:25 Unique 3.74, 4.37 A)
&rst
ixpk= 3408, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1011,1012,
igr2=1585,1586,
&end
#
# 79 MET HG+ 103 LEU HB+ 4.50 (# 3409:25 Unique 2.45, 4.05 A)
&rst
ixpk= 3409, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1212,1213,
igr2=1585,1586,
&end
#
# 103 LEU MDY 103 LEU HB- 3.50 (# 3413:25 Unique 2.26, 3.30 A)
&rst
ixpk= 3413, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1585,1586,
&end
#
# 103 LEU MDX 103 LEU HB- 3.50 (# 3415:25 Unique 2.26, 3.30 A)
&rst
ixpk= 3415, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1585,1586,
&end
#
# 103 LEU MDX 103 LEU HB+ 3.50 (# 3416:25 Unique 2.26, 3.30 A)
&rst
ixpk= 3416, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1585,1586,
&end
#
# 50 THR MG2 91 PRO HG+ 4.50 (# 3417:25 Unique 2.48, 4.43 A)
&rst
ixpk= 3417, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 791, 792, 793,
igr2=1404,1405,
&end
#
# 103 LEU MDX 103 LEU HG 2.80 (# 3418:25 Unique 2.21, 2.66 A)
&rst
ixpk= 3418, nxpk= 25, iat= -1,1588, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 103 LEU MDY 103 LEU HG 2.80 (# 3419:25 Unique 2.21, 2.66 A)
&rst
ixpk= 3419, nxpk= 25, iat= -1,1588, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 25-2:3420 0 AMB 25-1:3420 3.50 (# 3420:25 Double Ambig)
&rst
ixpk= 3420, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.98, r4= 6.73,
igr1= 854, 855, 318,1039,1040,
igr2=1404,1405,1404,1405,1588,
&end
#
# 103 LEU HA 103 LEU HG 4.50 (# 3421:25 Unique 2.51, 2.78 A)
&rst
ixpk= 3421, nxpk= 25, iat=1583,1588, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3422 103 LEU HG 5.50 (# 3422:25 Single Ambig)
&rst
ixpk= 3422, nxpk= 25, iat= -1,1588, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1581,1765,
&end
#
# 92 GLY HN 91 PRO HG+ 5.50 (# 3423:25 Unique 2.44, 4.58 A)
&rst
ixpk= 3423, nxpk= 25, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1404,1405,
&end
#
# 104 SER HN 103 LEU MDX 5.50 (# 3424:25 Unique 1.87, 4.20 A)
&rst
ixpk= 3424, nxpk= 25, iat=1600, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 68 ALA HN 103 LEU MDX 5.50 (# 3425:25 Unique 5.23, 7.21 A)
&rst
ixpk= 3425, nxpk= 25, iat=1052, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 105 ALA HN 103 LEU MDX 5.50 (# 3426:25 Unique 3.91, 5.86 A)
&rst
ixpk= 3426, nxpk= 25, iat=1611, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 25-2:3427 103 LEU MDX 4.50 (# 3427:25 Single Ambig)
&rst
ixpk= 3427, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1581,1765,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 67 HIS HD2 103 LEU MDX 5.50 (# 3431:25 Unique 2.39, 4.26 A)
&rst
ixpk= 3431, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 103 LEU HA 103 LEU MDX 4.50 (# 3432:25 Unique 2.82, 4.22 A)
&rst
ixpk= 3432, nxpk= 25, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 105 ALA HA 103 LEU MDX 5.50 (# 3433:25 Unique 4.07, 6.02 A)
&rst
ixpk= 3433, nxpk= 25, iat=1613, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 104 SER HA 103 LEU MDX 5.50 (# 3435:25 Unique 2.99, 5.07 A)
&rst
ixpk= 3435, nxpk= 25, iat=1602, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 110 SER HB+ 103 LEU MDX 5.50 (# 3436:25 Unique 5.69, 7.56 A)
&rst
ixpk= 3436, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1669,1670,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 111 HIS HA 103 LEU MDX 4.50 (# 3437:25 Unique 2.23, 3.88 A)
&rst
ixpk= 3437, nxpk= 25, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 67 HIS HB+ 103 LEU MDX 4.50 (# 3438:25 Unique 3.95, 5.50 A)
&rst
ixpk= 3438, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1039,1040,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 67 HIS HB- 103 LEU MDX 4.50 (# 3439:25 Unique 3.95, 5.50 A)
&rst
ixpk= 3439, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1039,1040,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 25-2:3440 103 LEU MDX 4.50 (# 3440:25 Single Ambig)
&rst
ixpk= 3440, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1212,1213,1011,1012,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 65 MET HG- 103 LEU MDX 5.50 (# 3441:25 Unique 4.21, 6.51 A)
&rst
ixpk= 3441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1011,1012,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 65 MET ME 103 LEU MDX 4.50 (# 3444:25 Unique 4.28, 7.68 A)
&rst
ixpk= 3444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1015,1016,1017,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 25-2:3445 103 LEU MDX 3.50 (# 3445:25 Single Ambig)
&rst
ixpk= 3445, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1585,1586,1782,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 105 ALA MB 103 LEU MDX 3.50 (# 3446:25 Unique 2.50, 5.08 A)
&rst
ixpk= 3446, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1615,1616,1617,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 103 LEU HG 103 LEU MDX 2.80 (# 3447:25 Unique 2.21, 2.66 A)
&rst
ixpk= 3447, nxpk= 25, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 114 ALA MB 103 LEU MDX 3.50 (# 3448:25 Unique 2.14, 3.66 A)
&rst
ixpk= 3448, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1723,1724,1725,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 114 ALA MB 103 LEU MDY 2.80 (# 3450:25 Unique 2.14, 3.66 A)
&rst
ixpk= 3450, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1723,1724,1725,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 103 LEU HG 103 LEU MDY 2.80 (# 3451:25 Unique 2.21, 2.66 A)
&rst
ixpk= 3451, nxpk= 25, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 105 ALA MB 103 LEU MDY 2.80 (# 3452:25 Unique 2.50, 5.08 A)
&rst
ixpk= 3452, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1615,1616,1617,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 25-2:3453 103 LEU MDY 3.50 (# 3453:25 Single Ambig)
&rst
ixpk= 3453, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1585,1586,1782,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 79 MET HG- 103 LEU MDY 2.80 (# 3454:25 Unique 3.22, 4.62 A)
&rst
ixpk= 3454, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1212,1213,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 25-2:3455 103 LEU MDY 3.50 (# 3455:25 Single Ambig)
&rst
ixpk= 3455, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1212,1213,1011,1012,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 25-2:3456 103 LEU MDY 4.50 (# 3456:25 Single Ambig)
&rst
ixpk= 3456, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1721,1604,1605,1695,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 111 HIS HA 103 LEU MDY 5.50 (# 3457:25 Unique 2.23, 3.88 A)
&rst
ixpk= 3457, nxpk= 25, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 103 LEU HA 103 LEU MDY 3.50 (# 3458:25 Unique 2.82, 4.22 A)
&rst
ixpk= 3458, nxpk= 25, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 25-2:3459 103 LEU MDY 4.50 (# 3459:25 Single Ambig)
&rst
ixpk= 3459, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1581,1765,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 104 SER HN 103 LEU MDY 3.50 (# 3460:25 Unique 1.87, 4.20 A)
&rst
ixpk= 3460, nxpk= 25, iat=1600, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 104 SER HN 104 SER HA 4.50 (# 3462:25 Unique 2.91, 2.93 A)
&rst
ixpk= 3462, nxpk= 25, iat=1600,1602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 ALA HN 104 SER HA 2.80 (# 3463:25 Unique 2.32, 2.35 A)
&rst
ixpk= 3463, nxpk= 25, iat=1611,1602, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 HIS HD2 104 SER HA 4.50 (# 3465:25 Unique 2.37, 2.96 A)
&rst
ixpk= 3465, nxpk= 25, iat=1048,1602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 104 SER HB+ 104 SER HA 3.50 (# 3466:25 Unique 2.36, 2.50 A)
&rst
ixpk= 3466, nxpk= 25, iat= -1,1602, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1604,1605,
&end
#
# 104 SER HB- 104 SER HA 3.50 (# 3467:25 Unique 2.36, 2.50 A)
&rst
ixpk= 3467, nxpk= 25, iat= -1,1602, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1604,1605,
&end
#
# 0 AMB 25-2:3468 121 LEU HA 3.50 (# 3468:25 Single Ambig)
&rst
ixpk= 3468, nxpk= 25, iat= -1,1822, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1873,1874,1809,1810,
&end
#
# 0 AMB 25-2:3469 104 SER HA 3.50 (# 3469:25 Single Ambig)
&rst
ixpk= 3469, nxpk= 25, iat= -1,1602, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1137,1138,1139,1588,
&end
#
# 0 AMB 25-2:3470 104 SER HA 4.50 (# 3470:25 Single Ambig)
&rst
ixpk= 3470, nxpk= 25, iat= -1,1602, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1590,1591,1592,1594,1595,1596, 601, 602, 603,
&end
#
# 103 LEU MDY 104 SER HA 3.50 (# 3471:25 Unique 2.99, 5.07 A)
&rst
ixpk= 3471, nxpk= 25, iat= -1,1602, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 25-2:3472 121 LEU HA 3.50 (# 3472:25 Single Ambig)
&rst
ixpk= 3472, nxpk= 25, iat= -1,1822, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1920,1921,1922,1829,1830,1831,1833,1834,1835,
&end
#
# 121 LEU MDY 121 LEU HA 2.80 (# 3473:25 Unique 2.30, 3.86 A)
&rst
ixpk= 3473, nxpk= 25, iat= -1,1822, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1829,1830,1831,1833,1834,1835,
&end
#
# 121 LEU HB+ 121 LEU HA 3.50 (# 3475:25 Unique 2.40, 2.73 A)
&rst
ixpk= 3475, nxpk= 25, iat= -1,1822, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1824,1825,
&end
#
# 32 LEU MDY 104 SER HB+ 5.50 (# 3476:25 Unique 2.16, 4.66 A)
&rst
ixpk= 3476, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1604,1605,
&end
#
# 32 LEU MDY 104 SER HB- 5.50 (# 3477:25 Unique 2.16, 4.66 A)
&rst
ixpk= 3477, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1604,1605,
&end
#
# 38 ILE QG2 104 SER HB+ 3.50 (# 3478:25 Unique 2.30, 2.73 A)
&rst
ixpk= 3478, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 601, 602, 603,
igr2=1604,1605,
&end
#
# 38 ILE QG2 104 SER HB- 3.50 (# 3479:25 Unique 2.30, 2.73 A)
&rst
ixpk= 3479, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 601, 602, 603,
igr2=1604,1605,
&end
#
# 32 LEU MDX 104 SER HB- 4.50 (# 3480:25 Unique 2.16, 4.66 A)
&rst
ixpk= 3480, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1604,1605,
&end
#
# 32 LEU MDX 104 SER HB+ 2.80 (# 3481:25 Unique 2.16, 4.66 A)
&rst
ixpk= 3481, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1604,1605,
&end
#
# 38 ILE QD1 104 SER HB- 4.50 (# 3482:25 Unique 3.92, 5.54 A)
&rst
ixpk= 3482, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 608, 609, 610,
igr2=1604,1605,
&end
#
# 0 AMB 25-2:3483 104 SER HB- 4.50 (# 3483:25 Single Ambig)
&rst
ixpk= 3483, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1137,1138,1139, 492, 493,
igr2=1604,1605,
&end
#
# 0 AMB 25-2:3484 104 SER HB- 5.50 (# 3484:25 Single Ambig)
&rst
ixpk= 3484, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 495,1147,1148,1190,1191,1192,
igr2=1604,1605,
&end
#
# 0 AMB 25-2:3485 104 SER HB- 4.50 (# 3485:25 Single Ambig)
&rst
ixpk= 3485, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 492, 493, 455, 456, 457,
igr2=1604,1605,
&end
#
# 37 TYR HB- 104 SER HB- 5.50 (# 3486:25 Unique 2.79, 4.25 A)
&rst
ixpk= 3486, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 578, 579,
igr2=1604,1605,
&end
#
# 74 ALA HA 104 SER HB- 3.50 (# 3490:25 Unique 3.18, 3.97 A)
&rst
ixpk= 3490, nxpk= 25, iat=1135, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1604,1605,
&end
#
# 104 SER HA 104 SER HB- 4.50 (# 3491:25 Unique 2.36, 2.50 A)
&rst
ixpk= 3491, nxpk= 25, iat=1602, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1604,1605,
&end
#
# 74 ALA HA 104 SER HB+ 3.50 (# 3492:25 Unique 3.18, 3.97 A)
&rst
ixpk= 3492, nxpk= 25, iat=1135, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1604,1605,
&end
#
# 104 SER HA 104 SER HB+ 3.50 (# 3493:25 Unique 2.36, 2.50 A)
&rst
ixpk= 3493, nxpk= 25, iat=1602, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1604,1605,
&end
#
# 77 THR HA 104 SER HB- 5.50 (# 3494:25 Unique 4.02, 4.83 A)
&rst
ixpk= 3494, nxpk= 25, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1604,1605,
&end
#
# 77 THR HA 104 SER HB+ 4.50 (# 3495:25 Unique 4.02, 4.83 A)
&rst
ixpk= 3495, nxpk= 25, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1604,1605,
&end
#
# 67 HIS HD2 104 SER HB- 5.50 (# 3496:25 Unique 4.61, 5.23 A)
&rst
ixpk= 3496, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1604,1605,
&end
#
# 37 TYR HD 104 SER HB- 5.50 (# 3497:25 Unique 4.03, 6.13 A)
&rst
ixpk= 3497, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 582, 591,
igr2=1604,1605,
&end
#
# 37 TYR HD 104 SER HB+ 5.50 (# 3499:25 Unique 4.03, 6.13 A)
&rst
ixpk= 3499, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 582, 591,
igr2=1604,1605,
&end
#
# 105 ALA HN 104 SER HB- 4.50 (# 3500:25 Unique 2.87, 3.49 A)
&rst
ixpk= 3500, nxpk= 25, iat=1611, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1604,1605,
&end
#
# 105 ALA HN 104 SER HB+ 5.50 (# 3501:25 Unique 2.87, 3.49 A)
&rst
ixpk= 3501, nxpk= 25, iat=1611, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1604,1605,
&end
#
# 104 SER HN 104 SER HB+ 4.50 (# 3502:25 Unique 2.92, 3.60 A)
&rst
ixpk= 3502, nxpk= 25, iat=1600, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1604,1605,
&end
#
# 104 SER HN 104 SER HB- 4.50 (# 3503:25 Unique 2.92, 3.60 A)
&rst
ixpk= 3503, nxpk= 25, iat=1600, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1604,1605,
&end
#
# 78 GLY HN 104 SER HB+ 4.50 (# 3504:25 Unique 3.62, 4.51 A)
&rst
ixpk= 3504, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1604,1605,
&end
#
# 78 GLY HN 104 SER HB- 5.50 (# 3505:25 Unique 3.62, 4.51 A)
&rst
ixpk= 3505, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1604,1605,
&end
#
# 105 ALA HN 105 ALA HA 5.50 (# 3507:25 Unique 2.91, 2.93 A)
&rst
ixpk= 3507, nxpk= 25, iat=1611,1613, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 ALA HN 105 ALA HA 3.50 (# 3508:25 Unique 2.18, 2.20 A)
&rst
ixpk= 3508, nxpk= 25, iat=1621,1613, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 ASP HN 105 ALA HA 5.50 (# 3509:25 Unique 3.70, 3.78 A)
&rst
ixpk= 3509, nxpk= 25, iat=1631,1613, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 ALA MB 105 ALA HA 2.80 (# 3511:25 Unique 2.38, 2.65 A)
&rst
ixpk= 3511, nxpk= 25, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1615,1616,1617,
&end
#
# 103 LEU MDX 105 ALA MB 3.50 (# 3513:25 Unique 2.50, 5.08 A)
&rst
ixpk= 3513, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1615,1616,1617,
&end
#
# 0 AMB 25-2:3514 0 AMB 25-1:3514 3.50 (# 3514:25 Double Ambig)
&rst
ixpk= 3514, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1590,1591,1592,1594,1595,1596,2131,2132,2133,2135,
2136,2137, 215, 216, 217, 219, 220, 221,
igr2=1615,1616,1617,2040,2041,2042,
&end
#
# 139 GLN HB+ 134 ALA MB 3.50 (# 3515:25 Unique 2.15, 3.12 A)
&rst
ixpk= 3515, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2109,2110,
igr2=2040,2041,2042,
&end
#
# 139 GLN HB- 134 ALA MB 2.80 (# 3516:25 Unique 2.15, 3.12 A)
&rst
ixpk= 3516, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2109,2110,
igr2=2040,2041,2042,
&end
#
# 139 GLN HG+ 134 ALA MB 3.50 (# 3517:25 Unique 2.94, 4.93 A)
&rst
ixpk= 3517, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2112,2113,
igr2=2040,2041,2042,
&end
#
# 111 HIS HB- 105 ALA MB 3.50 (# 3518:25 Unique 2.21, 3.32 A)
&rst
ixpk= 3518, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1680,1681,
igr2=1615,1616,1617,
&end
#
# 111 HIS HB+ 105 ALA MB 4.50 (# 3519:25 Unique 2.21, 3.32 A)
&rst
ixpk= 3519, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1680,1681,
igr2=1615,1616,1617,
&end
#
# 111 HIS HA 105 ALA MB 2.80 (# 3520:25 Unique 2.27, 2.82 A)
&rst
ixpk= 3520, nxpk= 25, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1615,1616,1617,
&end
#
# 134 ALA HA 134 ALA MB 2.80 (# 3521:25 Unique 2.36, 2.63 A)
&rst
ixpk= 3521, nxpk= 25, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2040,2041,2042,
&end
#
# 0 AMB 25-2:3522 105 ALA MB 4.50 (# 3522:25 Single Ambig)
&rst
ixpk= 3522, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1602,1667,
igr2=1615,1616,1617,
&end
#
# 0 AMB 25-2:3523 0 AMB 25-1:3523 5.50 (# 3523:25 Double Ambig)
&rst
ixpk= 3523, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1096,2024,
igr2=1615,1616,1617,2040,2041,2042,
&end
#
# 135 SER HA 134 ALA MB 4.50 (# 3524:25 Unique 4.49, 5.37 A)
&rst
ixpk= 3524, nxpk= 25, iat=2048, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2040,2041,2042,
&end
#
# 105 ALA HA 105 ALA MB 2.80 (# 3525:25 Unique 2.38, 2.65 A)
&rst
ixpk= 3525, nxpk= 25, iat=1613, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1615,1616,1617,
&end
#
# 77 THR HA 105 ALA MB 4.50 (# 3527:25 Unique 3.81, 4.35 A)
&rst
ixpk= 3527, nxpk= 25, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1615,1616,1617,
&end
#
# 134 ALA HN 134 ALA MB 2.80 (# 3528:25 Unique 2.37, 2.87 A)
&rst
ixpk= 3528, nxpk= 25, iat=2036, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2040,2041,2042,
&end
#
# 136 SER HN 134 ALA MB 3.50 (# 3529:25 Unique 2.57, 3.99 A)
&rst
ixpk= 3529, nxpk= 25, iat=2057, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2040,2041,2042,
&end
#
# 133 THR HN 134 ALA MB 4.50 (# 3530:25 Unique 4.07, 4.75 A)
&rst
ixpk= 3530, nxpk= 25, iat=2022, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2040,2041,2042,
&end
#
# 140 LEU HN 134 ALA MB 4.50 (# 3531:25 Unique 2.97, 4.14 A)
&rst
ixpk= 3531, nxpk= 25, iat=2122, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2040,2041,2042,
&end
#
# 0 AMB 25-2:3532 0 AMB 25-1:3532 5.50 (# 3532:25 Double Ambig)
&rst
ixpk= 3532, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1693,2163,
igr2=1615,1616,1617,2040,2041,2042,
&end
#
# 106 ALA HN 105 ALA MB 3.50 (# 3533:25 Unique 3.04, 3.82 A)
&rst
ixpk= 3533, nxpk= 25, iat=1621, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1615,1616,1617,
&end
#
# 111 HIS HN 105 ALA MB 4.50 (# 3534:25 Unique 2.51, 3.16 A)
&rst
ixpk= 3534, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1615,1616,1617,
&end
#
# 105 ALA HN 105 ALA MB 3.50 (# 3535:25 Unique 2.74, 3.36 A)
&rst
ixpk= 3535, nxpk= 25, iat=1611, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1615,1616,1617,
&end
#
# 135 SER HN 134 ALA MB 3.50 (# 3536:25 Unique 2.85, 4.05 A)
&rst
ixpk= 3536, nxpk= 25, iat=2046, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2040,2041,2042,
&end
#
# 106 ALA HN 106 ALA HA 3.50 (# 3537:25 Unique 2.87, 2.89 A)
&rst
ixpk= 3537, nxpk= 25, iat=1621,1623, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 ASP HN 106 ALA HA 4.50 (# 3538:25 Unique 3.45, 3.48 A)
&rst
ixpk= 3538, nxpk= 25, iat=1631,1623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 ALA HA 106 ALA HA 4.50 (# 3539:25 Unique 4.29, 4.33 A)
&rst
ixpk= 3539, nxpk= 25, iat=1613,1623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 PRO HA 106 ALA HA 4.50 (# 3540:25 Unique 4.52, 4.53 A)
&rst
ixpk= 3540, nxpk= 25, iat=1096,1623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3541 106 ALA HA 4.50 (# 3541:25 Single Ambig)
&rst
ixpk= 3541, nxpk= 25, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1164,1102,
&end
#
# 70 PRO HB+ 106 ALA HA 3.50 (# 3542:25 Unique 3.27, 4.27 A)
&rst
ixpk= 3542, nxpk= 25, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1093,1094,
&end
#
# 70 PRO HG+ 106 ALA HA 5.50 (# 3543:25 Unique 4.73, 5.30 A)
&rst
ixpk= 3543, nxpk= 25, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1090,1091,
&end
#
# 70 PRO HB- 106 ALA HA 4.50 (# 3544:25 Unique 3.27, 4.27 A)
&rst
ixpk= 3544, nxpk= 25, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1093,1094,
&end
#
# 0 AMB 25-2:3545 106 ALA HA 4.50 (# 3545:25 Single Ambig)
&rst
ixpk= 3545, nxpk= 25, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1615,1616,1617,1147,1148,1150,
&end
#
# 106 ALA MB 106 ALA HA 2.80 (# 3546:25 Unique 2.47, 2.67 A)
&rst
ixpk= 3546, nxpk= 25, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1625,1626,1627,
&end
#
# 106 ALA HA 106 ALA MB 2.80 (# 3547:25 Unique 2.47, 2.67 A)
&rst
ixpk= 3547, nxpk= 25, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1625,1626,1627,
&end
#
# 76 LYS HA 106 ALA MB 3.50 (# 3548:25 Unique 2.23, 3.40 A)
&rst
ixpk= 3548, nxpk= 25, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1625,1626,1627,
&end
#
# 105 ALA HA 106 ALA MB 4.50 (# 3550:25 Unique 4.42, 4.95 A)
&rst
ixpk= 3550, nxpk= 25, iat=1613, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1625,1626,1627,
&end
#
# 77 THR HA 106 ALA MB 4.50 (# 3551:25 Unique 4.57, 5.42 A)
&rst
ixpk= 3551, nxpk= 25, iat=1186, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1625,1626,1627,
&end
#
# 107 ASP HN 106 ALA MB 4.50 (# 3552:25 Unique 3.10, 3.88 A)
&rst
ixpk= 3552, nxpk= 25, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1625,1626,1627,
&end
#
# 106 ALA HN 106 ALA MB 2.80 (# 3553:25 Unique 2.47, 2.91 A)
&rst
ixpk= 3553, nxpk= 25, iat=1621, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1625,1626,1627,
&end
#
# 76 LYS HN 106 ALA MB 4.50 (# 3554:25 Unique 3.78, 5.01 A)
&rst
ixpk= 3554, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1625,1626,1627,
&end
#
# 77 THR HN 106 ALA MB 4.50 (# 3555:25 Unique 3.45, 4.33 A)
&rst
ixpk= 3555, nxpk= 25, iat=1184, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1625,1626,1627,
&end
#
# 106 ALA MB 107 ASP HA 5.50 (# 3556:25 Unique 4.95, 5.36 A)
&rst
ixpk= 3556, nxpk= 25, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1625,1626,1627,
&end
#
# 105 ALA MB 107 ASP HA 5.50 (# 3557:25 Unique 5.01, 5.84 A)
&rst
ixpk= 3557, nxpk= 25, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1615,1616,1617,
&end
#
# 108 ALA MB 107 ASP HA 4.50 (# 3558:25 Unique 4.53, 5.08 A)
&rst
ixpk= 3558, nxpk= 25, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1647,1648,1649,
&end
#
# 70 PRO HB- 107 ASP HA 3.50 (# 3559:25 Unique 3.43, 3.84 A)
&rst
ixpk= 3559, nxpk= 25, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1093,1094,
&end
#
# 70 PRO HG+ 107 ASP HA 4.50 (# 3560:25 Unique 3.34, 4.17 A)
&rst
ixpk= 3560, nxpk= 25, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1090,1091,
&end
#
# 70 PRO HB+ 107 ASP HA 4.50 (# 3561:25 Unique 3.43, 3.84 A)
&rst
ixpk= 3561, nxpk= 25, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1093,1094,
&end
#
# 107 ASP HB- 107 ASP HA 2.80 (# 3562:25 Unique 2.46, 2.76 A)
&rst
ixpk= 3562, nxpk= 25, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1635,1636,
&end
#
# 107 ASP HB+ 107 ASP HA 2.80 (# 3563:25 Unique 2.46, 2.76 A)
&rst
ixpk= 3563, nxpk= 25, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1635,1636,
&end
#
# 106 ALA HA 107 ASP HA 5.50 (# 3564:25 Unique 4.56, 4.60 A)
&rst
ixpk= 3564, nxpk= 25, iat=1623,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 SER HB+ 107 ASP HA 5.50 (# 3565:25 Unique 4.53, 5.51 A)
&rst
ixpk= 3565, nxpk= 25, iat= -1,1633, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1669,1670,
&end
#
# 108 ALA HA 107 ASP HA 5.50 (# 3566:25 Unique 4.28, 4.30 A)
&rst
ixpk= 3566, nxpk= 25, iat=1645,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 ASP HN 107 ASP HA 3.50 (# 3568:25 Unique 2.96, 2.97 A)
&rst
ixpk= 3568, nxpk= 25, iat=1631,1633, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 ALA HN 107 ASP HA 5.50 (# 3569:25 Unique 5.17, 5.23 A)
&rst
ixpk= 3569, nxpk= 25, iat=1621,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASP HN 107 ASP HA 5.50 (# 3570:25 Unique 4.30, 4.36 A)
&rst
ixpk= 3570, nxpk= 25, iat=1653,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 ALA HN 107 ASP HA 3.50 (# 3571:25 Unique 2.30, 2.35 A)
&rst
ixpk= 3571, nxpk= 25, iat=1643,1633, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 ASP HA 107 ASP HB+ 2.80 (# 3572:25 Unique 2.46, 2.76 A)
&rst
ixpk= 3572, nxpk= 25, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1635,1636,
&end
#
# 107 ASP HA 107 ASP HB- 2.80 (# 3573:25 Unique 2.46, 2.76 A)
&rst
ixpk= 3573, nxpk= 25, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1635,1636,
&end
#
# 107 ASP HN 107 ASP HB+ 4.50 (# 3574:25 Unique 2.76, 3.05 A)
&rst
ixpk= 3574, nxpk= 25, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1635,1636,
&end
#
# 107 ASP HN 107 ASP HB- 4.50 (# 3575:25 Unique 2.76, 3.05 A)
&rst
ixpk= 3575, nxpk= 25, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1635,1636,
&end
#
# 108 ALA HN 107 ASP HB+ 4.50 (# 3576:25 Unique 3.82, 3.92 A)
&rst
ixpk= 3576, nxpk= 25, iat=1643, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1635,1636,
&end
#
# 108 ALA HN 107 ASP HB- 3.50 (# 3577:25 Unique 3.82, 3.92 A)
&rst
ixpk= 3577, nxpk= 25, iat=1643, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1635,1636,
&end
#
# 108 ALA HN 108 ALA HA 3.50 (# 3578:25 Unique 2.79, 2.80 A)
&rst
ixpk= 3578, nxpk= 25, iat=1643,1645, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 ILE HN 108 ALA HA 5.50 (# 3580:25 Unique 4.02, 4.12 A)
&rst
ixpk= 3580, nxpk= 25, iat=1693,1645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 HIS HB+ 108 ALA HA 3.50 (# 3581:25 Unique 2.19, 2.88 A)
&rst
ixpk= 3581, nxpk= 25, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1680,1681,
&end
#
# 111 HIS HB- 108 ALA HA 3.50 (# 3582:25 Unique 2.19, 2.88 A)
&rst
ixpk= 3582, nxpk= 25, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1680,1681,
&end
#
# 70 PRO HG- 108 ALA HA 4.50 (# 3583:25 Unique 2.24, 3.11 A)
&rst
ixpk= 3583, nxpk= 25, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1090,1091,
&end
#
# 109 ASP HN 108 ALA HA 3.50 (# 3584:25 Unique 3.57, 3.58 A)
&rst
ixpk= 3584, nxpk= 25, iat=1653,1645, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 ALA HN 108 ALA MB 3.50 (# 3585:25 Unique 2.49, 2.87 A)
&rst
ixpk= 3585, nxpk= 25, iat=1643, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1647,1648,1649,
&end
#
# 109 ASP HN 108 ALA MB 3.50 (# 3586:25 Unique 2.88, 3.67 A)
&rst
ixpk= 3586, nxpk= 25, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1647,1648,1649,
&end
#
# 0 AMB 25-2:3588 108 ALA MB 4.50 (# 3588:25 Single Ambig)
&rst
ixpk= 3588, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1655,1633,
igr2=1647,1648,1649,
&end
#
# 108 ALA HA 108 ALA MB 2.80 (# 3589:25 Unique 2.45, 2.66 A)
&rst
ixpk= 3589, nxpk= 25, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1647,1648,1649,
&end
#
# 0 AMB 25-2:3590 108 ALA MB 4.50 (# 3590:25 Single Ambig)
&rst
ixpk= 3590, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1657,1658,1093,1094,
igr2=1647,1648,1649,
&end
#
# 70 PRO HG+ 108 ALA MB 4.50 (# 3591:25 Unique 3.28, 5.09 A)
&rst
ixpk= 3591, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1090,1091,
igr2=1647,1648,1649,
&end
#
# 70 PRO HG- 108 ALA MB 4.50 (# 3592:25 Unique 3.28, 5.09 A)
&rst
ixpk= 3592, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1090,1091,
igr2=1647,1648,1649,
&end
#
# 0 AMB 25-2:3593 109 ASP HA 3.50 (# 3593:25 Single Ambig)
&rst
ixpk= 3593, nxpk= 25, iat= -1,1655, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1699,1700,1701,1706,1707,1708,
&end
#
# 112 ILE HG1+ 109 ASP HA 4.50 (# 3594:25 Unique 2.84, 3.04 A)
&rst
ixpk= 3594, nxpk= 25, iat= -1,1655, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1703,1704,
&end
#
# 108 ALA MB 109 ASP HA 4.50 (# 3595:25 Unique 4.46, 4.93 A)
&rst
ixpk= 3595, nxpk= 25, iat= -1,1655, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1647,1648,1649,
&end
#
# 112 ILE HG1- 109 ASP HA 4.50 (# 3596:25 Unique 2.84, 3.04 A)
&rst
ixpk= 3596, nxpk= 25, iat= -1,1655, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1703,1704,
&end
#
# 112 ILE HB 109 ASP HA 3.50 (# 3597:25 Unique 2.08, 2.26 A)
&rst
ixpk= 3597, nxpk= 25, iat=1697,1655, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 ASP HB+ 109 ASP HA 2.80 (# 3598:25 Unique 2.37, 2.70 A)
&rst
ixpk= 3598, nxpk= 25, iat= -1,1655, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1657,1658,
&end
#
# 112 ILE HN 109 ASP HA 3.50 (# 3599:25 Unique 2.87, 2.97 A)
&rst
ixpk= 3599, nxpk= 25, iat=1693,1655, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:3600 109 ASP HA 4.50 (# 3600:25 Single Ambig)
&rst
ixpk= 3600, nxpk= 25, iat= -1,1655, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1712,1676,
&end
#
# 109 ASP HN 109 ASP HA 3.50 (# 3601:25 Unique 2.92, 2.94 A)
&rst
ixpk= 3601, nxpk= 25, iat=1653,1655, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 SER HN 109 ASP HA 4.50 (# 3602:25 Unique 3.53, 3.55 A)
&rst
ixpk= 3602, nxpk= 25, iat=1665,1655, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 110 SER HN 109 ASP HB+ 2.80 (# 3603:25 Unique 2.87, 3.50 A)
&rst
ixpk= 3603, nxpk= 25, iat=1665, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1657,1658,
&end
#
# 109 ASP HN 109 ASP HB+ 2.80 (# 3604:25 Unique 2.41, 2.59 A)
&rst
ixpk= 3604, nxpk= 25, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1657,1658,
&end
#
# 109 ASP HA 109 ASP HB+ 2.80 (# 3605:25 Unique 2.37, 2.70 A)
&rst
ixpk= 3605, nxpk= 25, iat=1655, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1657,1658,
&end
#
# 110 SER HN 110 SER HB+ 3.50 (# 3606:25 Unique 2.46, 3.10 A)
&rst
ixpk= 3606, nxpk= 25, iat=1665, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1669,1670,
&end
#
# 119 SER HN 119 SER HA 2.80 (# 3607:25 Unique 2.74, 2.82 A)
&rst
ixpk= 3607, nxpk= 25, iat=1794,1796, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:3608 0 AMB 25-1:3608 2.80 (# 3608:25 Double Ambig)
&rst
ixpk= 3608, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1839,1621,
igr2=1796,1669,1670,
&end
#
# 120 GLU HN 119 SER HA 3.50 (# 3609:25 Unique 3.49, 3.53 A)
&rst
ixpk= 3609, nxpk= 25, iat=1805,1796, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:3610 0 AMB 25-1:3610 3.50 (# 3610:25 Double Ambig)
&rst
ixpk= 3610, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1631,1858,
igr2=1669,1670,1796,
&end
#
# 10 SER HA 10 SER HB+ 2.80 (# 3612:25 Unique 2.36, 2.71 A)
&rst
ixpk= 3612, nxpk= 25, iat= 159, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 161, 162,
&end
#
# 122 LEU HB+ 119 SER HA 4.50 (# 3613:25 Unique 2.36, 4.00 A)
&rst
ixpk= 3613, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1843,1844,
&end
#
# 77 THR MG2 110 SER HB+ 2.80 (# 3614:25 Unique 2.10, 3.56 A)
&rst
ixpk= 3614, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1190,1191,1192,
igr2=1669,1670,
&end
#
# 0 AMB 25-2:3615 119 SER HA 4.50 (# 3615:25 Single Ambig)
&rst
ixpk= 3615, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1846,1735,1736,1737,
&end
#
# 118 LEU MDX 119 SER HA 5.50 (# 3616:25 Unique 2.79, 5.61 A)
&rst
ixpk= 3616, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 103 LEU MDX 111 HIS HA 4.50 (# 3617:25 Unique 2.23, 3.88 A)
&rst
ixpk= 3617, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 105 ALA MB 111 HIS HA 2.80 (# 3618:25 Unique 2.27, 2.82 A)
&rst
ixpk= 3618, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1615,1616,1617,
&end
#
# 111 HIS HB- 111 HIS HA 3.50 (# 3619:25 Unique 2.25, 2.63 A)
&rst
ixpk= 3619, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1680,1681,
&end
#
# 111 HIS HB+ 111 HIS HA 3.50 (# 3621:25 Unique 2.25, 2.63 A)
&rst
ixpk= 3621, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1680,1681,
&end
#
# 67 HIS HD2 111 HIS HA 5.50 (# 3623:25 Unique 5.32, 5.48 A)
&rst
ixpk= 3623, nxpk= 25, iat=1048,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 ILE HN 111 HIS HA 4.50 (# 3624:25 Unique 3.59, 3.61 A)
&rst
ixpk= 3624, nxpk= 25, iat=1693,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 114 ALA HN 111 HIS HA 4.50 (# 3625:25 Unique 3.41, 3.57 A)
&rst
ixpk= 3625, nxpk= 25, iat=1719,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 HIS HN 111 HIS HA 3.50 (# 3626:25 Unique 2.83, 2.85 A)
&rst
ixpk= 3626, nxpk= 25, iat=1676,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 HIS HN 111 HIS HB+ 4.50 (# 3627:25 Unique 2.04, 2.54 A)
&rst
ixpk= 3627, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1680,1681,
&end
#
# 112 ILE HN 111 HIS HB+ 3.50 (# 3628:25 Unique 2.58, 3.44 A)
&rst
ixpk= 3628, nxpk= 25, iat=1693, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1680,1681,
&end
#
# 112 ILE HN 111 HIS HB- 4.50 (# 3629:25 Unique 2.58, 3.44 A)
&rst
ixpk= 3629, nxpk= 25, iat=1693, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1680,1681,
&end
#
# 111 HIS HN 111 HIS HB- 4.50 (# 3630:25 Unique 2.04, 2.54 A)
&rst
ixpk= 3630, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1680,1681,
&end
#
# 67 HIS HD2 111 HIS HB+ 5.50 (# 3631:25 Unique 4.47, 5.76 A)
&rst
ixpk= 3631, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1680,1681,
&end
#
# 67 HIS HD2 111 HIS HB- 5.50 (# 3632:25 Unique 4.47, 5.76 A)
&rst
ixpk= 3632, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1680,1681,
&end
#
# 108 ALA HA 111 HIS HB+ 3.50 (# 3635:25 Unique 2.19, 2.88 A)
&rst
ixpk= 3635, nxpk= 25, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1680,1681,
&end
#
# 0 AMB 25-2:3636 0 AMB 25-1:3636 3.50 (# 3636:25 Double Ambig)
&rst
ixpk= 3636, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1678,1087,1088,
igr2=1680,1681,1680,1681,
&end
#
# 0 AMB 25-2:3637 111 HIS HB- 3.50 (# 3637:25 Single Ambig)
&rst
ixpk= 3637, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1678,1087,1088,
igr2=1680,1681,
&end
#
# 108 ALA HA 111 HIS HB- 4.50 (# 3638:25 Unique 2.19, 2.88 A)
&rst
ixpk= 3638, nxpk= 25, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1680,1681,
&end
#
# 0 AMB 25-2:3643 0 AMB 25-1:3643 5.50 (# 3643:25 Double Ambig)
&rst
ixpk= 3643, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1093,1094,1697,
igr2=1680,1681,1680,1681,
&end
#
# 112 ILE HG1- 111 HIS HB+ 5.50 (# 3644:25 Unique 3.64, 5.49 A)
&rst
ixpk= 3644, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1703,1704,
igr2=1680,1681,
&end
#
# 112 ILE HG1- 111 HIS HB- 5.50 (# 3645:25 Unique 3.64, 5.49 A)
&rst
ixpk= 3645, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1703,1704,
igr2=1680,1681,
&end
#
# 0 AMB 25-2:3646 111 HIS HB- 5.50 (# 3646:25 Single Ambig)
&rst
ixpk= 3646, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1093,1094,1697,
igr2=1680,1681,
&end
#
# 108 ALA MB 111 HIS HB- 4.50 (# 3647:25 Unique 3.99, 5.30 A)
&rst
ixpk= 3647, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1647,1648,1649,
igr2=1680,1681,
&end
#
# 105 ALA MB 111 HIS HB- 3.50 (# 3648:25 Unique 2.21, 3.32 A)
&rst
ixpk= 3648, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1615,1616,1617,
igr2=1680,1681,
&end
#
# 105 ALA MB 111 HIS HB+ 4.50 (# 3649:25 Unique 2.21, 3.32 A)
&rst
ixpk= 3649, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1615,1616,1617,
igr2=1680,1681,
&end
#
# 108 ALA MB 111 HIS HB+ 4.50 (# 3650:25 Unique 3.99, 5.30 A)
&rst
ixpk= 3650, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1647,1648,1649,
igr2=1680,1681,
&end
#
# 0 AMB 25-2:3651 0 AMB 25-1:3651 5.50 (# 3651:25 Double Ambig)
&rst
ixpk= 3651, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1706,1707,1708,1699,1700,1701,
igr2=1680,1681,1680,1681,
&end
#
# 114 ALA MB 111 HIS HB- 5.50 (# 3652:25 Unique 4.63, 6.15 A)
&rst
ixpk= 3652, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1723,1724,1725,
igr2=1680,1681,
&end
#
# 112 ILE QG2 111 HIS HB- 5.50 (# 3653:25 Unique 6.86, 7.72 A)
&rst
ixpk= 3653, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1699,1700,1701,
igr2=1680,1681,
&end
#
# 114 ALA MB 111 HIS HB+ 5.50 (# 3654:25 Unique 4.63, 6.15 A)
&rst
ixpk= 3654, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1723,1724,1725,
igr2=1680,1681,
&end
#
# 103 LEU MDX 111 HIS HB+ 5.50 (# 3655:25 Unique 3.34, 5.65 A)
&rst
ixpk= 3655, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1680,1681,
&end
#
# 103 LEU MDX 111 HIS HB- 5.50 (# 3656:25 Unique 3.34, 5.65 A)
&rst
ixpk= 3656, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1680,1681,
&end
#
# 0 AMB 25-2:3657 112 ILE HA 4.50 (# 3657:25 Single Ambig)
&rst
ixpk= 3657, nxpk= 25, iat= -1,1695, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
&end
#
# 115 ILE QG2 112 ILE HA 3.50 (# 3658:25 Unique 3.90, 4.41 A)
&rst
ixpk= 3658, nxpk= 25, iat= -1,1695, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1735,1736,1737,
&end
#
# 112 ILE QG2 112 ILE HA 2.80 (# 3659:25 Unique 2.66, 3.34 A)
&rst
ixpk= 3659, nxpk= 25, iat= -1,1695, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1699,1700,1701,
&end
#
# 0 AMB 25-2:3660 112 ILE HA 2.80 (# 3660:25 Single Ambig)
&rst
ixpk= 3660, nxpk= 25, iat= -1,1695, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1703,1704,1739,1740,
&end
#
# 115 ILE HB 112 ILE HA 2.80 (# 3661:25 Unique 2.48, 2.62 A)
&rst
ixpk= 3661, nxpk= 25, iat=1733,1695, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 112 ILE HB 112 ILE HA 3.50 (# 3662:25 Unique 3.01, 3.04 A)
&rst
ixpk= 3662, nxpk= 25, iat=1697,1695, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 SER HA 17 SER HB- 2.80 (# 3663:25 Unique 2.22, 2.60 A)
&rst
ixpk= 3663, nxpk= 25, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 265, 266,
&end
#
# 112 ILE HN 112 ILE HA 3.50 (# 3664:25 Unique 2.80, 2.82 A)
&rst
ixpk= 3664, nxpk= 25, iat=1693,1695, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 ILE HN 112 ILE HA 4.50 (# 3665:25 Unique 3.52, 3.66 A)
&rst
ixpk= 3665, nxpk= 25, iat=1729,1695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 GLY HN 112 ILE HA 4.50 (# 3666:25 Unique 3.63, 3.64 A)
&rst
ixpk= 3666, nxpk= 25, iat=1712,1695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 GLN HN 112 ILE HA 4.50 (# 3667:25 Unique 3.85, 3.94 A)
&rst
ixpk= 3667, nxpk= 25, iat=1748,1695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 GLY HN 112 ILE HB 2.80 (# 3668:25 Unique 2.46, 2.60 A)
&rst
ixpk= 3668, nxpk= 25, iat=1712,1697, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:3669 0 AMB 25-1:3669 5.50 (# 3669:25 Double Ambig)
&rst
ixpk= 3669, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1719, 401,
igr2=1697, 679,
&end
#
# 112 ILE HN 112 ILE HB 2.80 (# 3670:25 Unique 2.18, 2.34 A)
&rst
ixpk= 3670, nxpk= 25, iat=1693,1697, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 112 ILE QG2 112 ILE HB 2.80 (# 3671:25 Unique 2.31, 2.62 A)
&rst
ixpk= 3671, nxpk= 25, iat= -1,1697, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1699,1700,1701,
&end
#
# 0 AMB 25-2:3673 0 AMB 25-1:3673 2.80 (# 3673:25 Double Ambig)
&rst
ixpk= 3673, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1706,1707,1708,1699,1700,1701,
igr2=1703,1704,1703,1704,
&end
#
# 112 ILE HA 0 AMB 25-1:3675 2.80 (# 3675:25 Single Ambig)
&rst
ixpk= 3675, nxpk= 25, iat=1695, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1703,1704,1739,1740,
&end
#
# 112 ILE HA 112 ILE HG1- 3.50 (# 3676:25 Unique 2.72, 3.32 A)
&rst
ixpk= 3676, nxpk= 25, iat=1695, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1703,1704,
&end
#
# 109 ASP HA 112 ILE HG1+ 5.50 (# 3677:25 Unique 2.84, 3.04 A)
&rst
ixpk= 3677, nxpk= 25, iat=1655, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1703,1704,
&end
#
# 67 HIS HD2 115 ILE HG1- 5.50 (# 3678:25 Unique 5.30, 6.22 A)
&rst
ixpk= 3678, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1739,1740,
&end
#
# 112 ILE HN 112 ILE HG1- 3.50 (# 3679:25 Unique 2.25, 2.94 A)
&rst
ixpk= 3679, nxpk= 25, iat=1693, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1703,1704,
&end
#
# 112 ILE HN 112 ILE HG1+ 3.50 (# 3680:25 Unique 2.25, 2.94 A)
&rst
ixpk= 3680, nxpk= 25, iat=1693, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1703,1704,
&end
#
# 138 LYS HN 138 LYS HD- 4.50 (# 3681:25 Unique 1.73, 4.33 A)
&rst
ixpk= 3681, nxpk= 25, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2093,2094,
&end
#
# 0 AMB 25-2:3682 0 AMB 25-1:3682 5.50 (# 3682:25 Double Ambig)
&rst
ixpk= 3682, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1712,1676,
igr2=1703,1704,1703,1704,
&end
#
# 87 GLY HN 98 LYS HD+ 5.50 (# 3683:25 Unique 3.30, 5.42 A)
&rst
ixpk= 3683, nxpk= 25, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1505,1506,
&end
#
# 112 ILE HN 112 ILE QD1 4.50 (# 3684:25 Unique 3.91, 4.50 A)
&rst
ixpk= 3684, nxpk= 25, iat=1693, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1706,1707,1708,
&end
#
# 109 ASP HA 112 ILE QD1 4.50 (# 3685:25 Unique 5.06, 5.24 A)
&rst
ixpk= 3685, nxpk= 25, iat=1655, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1706,1707,1708,
&end
#
# 112 ILE HA 112 ILE QD1 4.50 (# 3686:25 Unique 2.20, 3.14 A)
&rst
ixpk= 3686, nxpk= 25, iat=1695, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1706,1707,1708,
&end
#
# 109 ASP HB+ 112 ILE QD1 5.50 (# 3687:25 Unique 6.86, 7.67 A)
&rst
ixpk= 3687, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1657,1658,
igr2=1706,1707,1708,
&end
#
# 112 ILE HB 112 ILE QD1 3.50 (# 3688:25 Unique 3.75, 3.95 A)
&rst
ixpk= 3688, nxpk= 25, iat=1697, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1706,1707,1708,
&end
#
# 112 ILE HG1- 112 ILE QD1 2.80 (# 3689:25 Unique 2.36, 2.64 A)
&rst
ixpk= 3689, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1703,1704,
igr2=1706,1707,1708,
&end
#
# 108 ALA MB 112 ILE QD1 4.50 (# 3690:25 Unique 5.20, 6.99 A)
&rst
ixpk= 3690, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1647,1648,1649,
igr2=1706,1707,1708,
&end
#
# 112 ILE HG1+ 112 ILE QD1 2.80 (# 3691:25 Unique 2.36, 2.64 A)
&rst
ixpk= 3691, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1703,1704,
igr2=1706,1707,1708,
&end
#
# 112 ILE HG1- 112 ILE QG2 3.50 (# 3694:25 Unique 2.46, 3.55 A)
&rst
ixpk= 3694, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1703,1704,
igr2=1699,1700,1701,
&end
#
# 112 ILE HB 112 ILE QG2 2.80 (# 3695:25 Unique 2.31, 2.62 A)
&rst
ixpk= 3695, nxpk= 25, iat=1697, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1699,1700,1701,
&end
#
# 116 GLN HG+ 112 ILE QG2 4.50 (# 3696:25 Unique 2.92, 3.98 A)
&rst
ixpk= 3696, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1755,1756,
igr2=1699,1700,1701,
&end
#
# 112 ILE HA 112 ILE QG2 2.80 (# 3697:25 Unique 2.66, 3.34 A)
&rst
ixpk= 3697, nxpk= 25, iat=1695, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1699,1700,1701,
&end
#
# 113 GLY HA+ 112 ILE QG2 3.50 (# 3698:25 Unique 3.13, 4.79 A)
&rst
ixpk= 3698, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1714,1715,
igr2=1699,1700,1701,
&end
#
# 109 ASP HA 112 ILE QG2 4.50 (# 3699:25 Unique 3.77, 4.53 A)
&rst
ixpk= 3699, nxpk= 25, iat=1655, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1699,1700,1701,
&end
#
# 112 ILE HN 112 ILE QG2 4.50 (# 3700:25 Unique 4.16, 4.48 A)
&rst
ixpk= 3700, nxpk= 25, iat=1693, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1699,1700,1701,
&end
#
# 113 GLY HN 112 ILE QG2 4.50 (# 3701:25 Unique 3.02, 3.95 A)
&rst
ixpk= 3701, nxpk= 25, iat=1712, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1699,1700,1701,
&end
#
# 116 GLN HN 112 ILE QG2 4.50 (# 3702:25 Unique 4.47, 5.18 A)
&rst
ixpk= 3702, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1699,1700,1701,
&end
#
# 113 GLY HN 113 GLY HA+ 2.80 (# 3703:25 Unique 2.29, 2.56 A)
&rst
ixpk= 3703, nxpk= 25, iat=1712, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1714,1715,
&end
#
# 113 GLY HN 113 GLY HA- 2.80 (# 3704:25 Unique 2.29, 2.56 A)
&rst
ixpk= 3704, nxpk= 25, iat=1712, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1714,1715,
&end
#
# 116 GLN HN 113 GLY HA+ 4.50 (# 3705:25 Unique 3.32, 4.15 A)
&rst
ixpk= 3705, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1714,1715,
&end
#
# 116 GLN HN 113 GLY HA- 4.50 (# 3706:25 Unique 3.32, 4.15 A)
&rst
ixpk= 3706, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1714,1715,
&end
#
# 114 ALA HN 113 GLY HA+ 2.80 (# 3707:25 Unique 2.83, 3.23 A)
&rst
ixpk= 3707, nxpk= 25, iat=1719, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1714,1715,
&end
#
# 114 ALA HN 113 GLY HA- 2.80 (# 3708:25 Unique 2.83, 3.23 A)
&rst
ixpk= 3708, nxpk= 25, iat=1719, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1714,1715,
&end
#
# 116 GLN HB+ 113 GLY HA+ 4.50 (# 3709:25 Unique 2.29, 4.18 A)
&rst
ixpk= 3709, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1752,1753,
igr2=1714,1715,
&end
#
# 116 GLN HB+ 113 GLY HA- 3.50 (# 3710:25 Unique 2.29, 4.18 A)
&rst
ixpk= 3710, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1752,1753,
igr2=1714,1715,
&end
#
# 116 GLN HB- 113 GLY HA+ 3.50 (# 3711:25 Unique 2.29, 4.18 A)
&rst
ixpk= 3711, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1752,1753,
igr2=1714,1715,
&end
#
# 116 GLN HB- 113 GLY HA- 3.50 (# 3712:25 Unique 2.29, 4.18 A)
&rst
ixpk= 3712, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1752,1753,
igr2=1714,1715,
&end
#
# 112 ILE QG2 113 GLY HA+ 3.50 (# 3713:25 Unique 3.13, 4.79 A)
&rst
ixpk= 3713, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1699,1700,1701,
igr2=1714,1715,
&end
#
# 112 ILE QG2 113 GLY HA- 4.50 (# 3714:25 Unique 3.13, 4.79 A)
&rst
ixpk= 3714, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1699,1700,1701,
igr2=1714,1715,
&end
#
# 114 ALA MB 113 GLY HA- 5.50 (# 3716:25 Unique 4.71, 5.75 A)
&rst
ixpk= 3716, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1723,1724,1725,
igr2=1714,1715,
&end
#
# 114 ALA MB 114 ALA HA 2.80 (# 3717:25 Unique 2.42, 2.66 A)
&rst
ixpk= 3717, nxpk= 25, iat= -1,1721, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1723,1724,1725,
&end
#
# 103 LEU HG 114 ALA HA 4.50 (# 3718:25 Unique 4.40, 4.47 A)
&rst
ixpk= 3718, nxpk= 25, iat=1588,1721, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 117 ALA MB 114 ALA HA 2.80 (# 3719:25 Unique 2.76, 3.61 A)
&rst
ixpk= 3719, nxpk= 25, iat= -1,1721, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1769,1770,1771,
&end
#
# 0 AMB 25-2:3724 114 ALA HA 2.80 (# 3724:25 Single Ambig)
&rst
ixpk= 3724, nxpk= 25, iat= -1,1721, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1719,1765,
&end
#
# 116 GLN HN 114 ALA HA 4.50 (# 3725:25 Unique 4.39, 4.46 A)
&rst
ixpk= 3725, nxpk= 25, iat=1748,1721, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3737 115 ILE HA 3.50 (# 3737:25 Single Ambig)
&rst
ixpk= 3737, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1742,1743,1744,1590,1591,1592,1594,1595,1596,
&end
#
# 115 ILE QG2 115 ILE HA 3.50 (# 3738:25 Unique 2.74, 3.44 A)
&rst
ixpk= 3738, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1735,1736,1737,
&end
#
# 115 ILE HG1+ 115 ILE HA 2.80 (# 3739:25 Unique 2.70, 3.25 A)
&rst
ixpk= 3739, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1739,1740,
&end
#
# 115 ILE HG1- 115 ILE HA 3.50 (# 3740:25 Unique 2.70, 3.25 A)
&rst
ixpk= 3740, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1739,1740,
&end
#
# 118 LEU HB- 115 ILE HA 4.50 (# 3741:25 Unique 2.48, 4.31 A)
&rst
ixpk= 3741, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1779,1780,
&end
#
# 118 LEU HB+ 115 ILE HA 4.50 (# 3742:25 Unique 2.48, 4.31 A)
&rst
ixpk= 3742, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1779,1780,
&end
#
# 115 ILE HB 115 ILE HA 2.80 (# 3743:25 Unique 2.92, 2.94 A)
&rst
ixpk= 3743, nxpk= 25, iat=1733,1731, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 115 ILE HN 115 ILE HA 2.80 (# 3744:25 Unique 2.72, 2.75 A)
&rst
ixpk= 3744, nxpk= 25, iat=1729,1731, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:3745 115 ILE HA 3.50 (# 3745:25 Single Ambig)
&rst
ixpk= 3745, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1775,1748,
&end
#
# 119 SER HN 115 ILE HA 4.50 (# 3746:25 Unique 3.90, 4.02 A)
&rst
ixpk= 3746, nxpk= 25, iat=1794,1731, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 GLN HN 115 ILE HB 3.50 (# 3747:25 Unique 2.54, 2.63 A)
&rst
ixpk= 3747, nxpk= 25, iat=1748,1733, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 ILE HN 115 ILE HB 2.80 (# 3748:25 Unique 2.04, 2.10 A)
&rst
ixpk= 3748, nxpk= 25, iat=1729,1733, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 144 ILE HN 144 ILE HB 2.80 (# 3749:25 Unique 2.15, 2.41 A)
&rst
ixpk= 3749, nxpk= 25, iat=2182,2186, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:3750 0 AMB 25-1:3750 4.50 (# 3750:25 Double Ambig)
&rst
ixpk= 3750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2163,1693,
igr2=2186,1733,
&end
#
# 146 ARG HN 144 ILE HB 5.50 (# 3751:25 Unique 4.87, 5.05 A)
&rst
ixpk= 3751, nxpk= 25, iat=2212,2186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3752 144 ILE HB 5.50 (# 3752:25 Single Ambig)
&rst
ixpk= 3752, nxpk= 25, iat= -1,2186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2203,2153,
&end
#
# 0 AMB 25-2:3753 0 AMB 25-1:3753 4.50 (# 3753:25 Double Ambig)
&rst
ixpk= 3753, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 66,1750,2205,2206,
igr2=2186,1733,
&end
#
# 0 AMB 25-2:3754 144 ILE HB 2.80 (# 3754:25 Single Ambig)
&rst
ixpk= 3754, nxpk= 25, iat= -1,2186, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2143,2184,
&end
#
# 115 ILE HA 115 ILE HB 2.80 (# 3755:25 Unique 2.92, 2.94 A)
&rst
ixpk= 3755, nxpk= 25, iat=1731,1733, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:3757 0 AMB 25-1:3757 4.50 (# 3757:25 Double Ambig)
&rst
ixpk= 3757, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2145,2146,2147,1779,1780,
igr2=2186,1733,
&end
#
# 115 ILE HG1- 115 ILE HB 3.50 (# 3758:25 Unique 2.35, 2.42 A)
&rst
ixpk= 3758, nxpk= 25, iat= -1,1733, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1739,1740,
&end
#
# 144 ILE HG1- 144 ILE HB 2.80 (# 3759:25 Unique 2.23, 2.43 A)
&rst
ixpk= 3759, nxpk= 25, iat= -1,2186, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2192,2193,
&end
#
# 0 AMB 25-2:3760 0 AMB 25-1:3760 2.80 (# 3760:25 Double Ambig)
&rst
ixpk= 3760, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2192,2193,1739,1740,
igr2=2186,1733,
&end
#
# 115 ILE QG2 115 ILE HB 2.80 (# 3761:25 Unique 2.27, 2.60 A)
&rst
ixpk= 3761, nxpk= 25, iat= -1,1733, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1735,1736,1737,
&end
#
# 144 ILE QG2 144 ILE HB 2.80 (# 3763:25 Unique 2.23, 2.63 A)
&rst
ixpk= 3763, nxpk= 25, iat= -1,2186, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2188,2189,2190,
&end
#
# 144 ILE QD1 144 ILE HB 3.50 (# 3764:25 Unique 3.64, 3.90 A)
&rst
ixpk= 3764, nxpk= 25, iat= -1,2186, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2195,2196,2197,
&end
#
# 0 AMB 25-2:3765 115 ILE HG1- 2.80 (# 3765:25 Single Ambig)
&rst
ixpk= 3765, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
igr2=1739,1740,
&end
#
# 0 AMB 25-2:3766 0 AMB 25-1:3766 2.80 (# 3766:25 Double Ambig)
&rst
ixpk= 3766, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
igr2=1739,1740,1739,1740,
&end
#
# 115 ILE HA 115 ILE HG1- 3.50 (# 3768:25 Unique 2.70, 3.25 A)
&rst
ixpk= 3768, nxpk= 25, iat=1731, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1739,1740,
&end
#
# 115 ILE HA 115 ILE HG1+ 3.50 (# 3770:25 Unique 2.70, 3.25 A)
&rst
ixpk= 3770, nxpk= 25, iat=1731, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1739,1740,
&end
#
# 112 ILE HA 115 ILE HG1+ 4.50 (# 3771:25 Unique 3.46, 3.96 A)
&rst
ixpk= 3771, nxpk= 25, iat=1695, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1739,1740,
&end
#
# 115 ILE HN 115 ILE HG1- 3.50 (# 3772:25 Unique 2.48, 3.14 A)
&rst
ixpk= 3772, nxpk= 25, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1739,1740,
&end
#
# 115 ILE HN 115 ILE HG1+ 3.50 (# 3773:25 Unique 2.48, 3.14 A)
&rst
ixpk= 3773, nxpk= 25, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1739,1740,
&end
#
# 116 GLN HN 115 ILE HG1+ 4.50 (# 3775:25 Unique 4.62, 4.83 A)
&rst
ixpk= 3775, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1739,1740,
&end
#
# 115 ILE HN 115 ILE QD1 4.50 (# 3776:25 Unique 4.01, 4.64 A)
&rst
ixpk= 3776, nxpk= 25, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1742,1743,1744,
&end
#
# 67 HIS HD2 115 ILE QD1 5.50 (# 3779:25 Unique 5.29, 6.46 A)
&rst
ixpk= 3779, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1742,1743,1744,
&end
#
# 0 AMB 25-2:3782 115 ILE QD1 5.50 (# 3782:25 Single Ambig)
&rst
ixpk= 3782, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1777,1796,
igr2=1742,1743,1744,
&end
#
# 111 HIS HA 115 ILE QD1 5.50 (# 3783:25 Unique 5.86, 6.48 A)
&rst
ixpk= 3783, nxpk= 25, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1742,1743,1744,
&end
#
# 0 AMB 25-2:3784 115 ILE QD1 5.50 (# 3784:25 Single Ambig)
&rst
ixpk= 3784, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1695,1721,
igr2=1742,1743,1744,
&end
#
# 115 ILE HA 115 ILE QD1 3.50 (# 3785:25 Unique 2.13, 3.07 A)
&rst
ixpk= 3785, nxpk= 25, iat=1731, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1742,1743,1744,
&end
#
# 0 AMB 25-2:3786 115 ILE QD1 5.50 (# 3786:25 Single Ambig)
&rst
ixpk= 3786, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1011,1012,1008,1009,
igr2=1742,1743,1744,
&end
#
# 115 ILE HB 115 ILE QD1 3.50 (# 3788:25 Unique 3.75, 3.96 A)
&rst
ixpk= 3788, nxpk= 25, iat=1733, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1742,1743,1744,
&end
#
# 0 AMB 25-2:3789 115 ILE QD1 5.50 (# 3789:25 Single Ambig)
&rst
ixpk= 3789, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1782,1585,1586,
igr2=1742,1743,1744,
&end
#
# 118 LEU HB- 115 ILE QD1 5.50 (# 3790:25 Unique 3.24, 6.04 A)
&rst
ixpk= 3790, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1779,1780,
igr2=1742,1743,1744,
&end
#
# 115 ILE HG1- 115 ILE QD1 2.80 (# 3791:25 Unique 2.39, 2.65 A)
&rst
ixpk= 3791, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1739,1740,
igr2=1742,1743,1744,
&end
#
# 103 LEU HB+ 115 ILE QD1 4.50 (# 3792:25 Unique 4.32, 5.22 A)
&rst
ixpk= 3792, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1585,1586,
igr2=1742,1743,1744,
&end
#
# 115 ILE HG1+ 115 ILE QD1 3.50 (# 3793:25 Unique 2.39, 2.65 A)
&rst
ixpk= 3793, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1739,1740,
igr2=1742,1743,1744,
&end
#
# 115 ILE QG2 115 ILE QD1 2.80 (# 3794:25 Unique 2.35, 3.71 A)
&rst
ixpk= 3794, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1735,1736,1737,
igr2=1742,1743,1744,
&end
#
# 115 ILE HA 115 ILE QG2 3.50 (# 3795:25 Unique 2.74, 3.44 A)
&rst
ixpk= 3795, nxpk= 25, iat=1731, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1735,1736,1737,
&end
#
# 115 ILE HN 115 ILE QG2 3.50 (# 3797:25 Unique 3.94, 4.32 A)
&rst
ixpk= 3797, nxpk= 25, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1735,1736,1737,
&end
#
# 132 LEU HN 129 GLU HA 3.50 (# 3799:25 Unique 3.31, 3.38 A)
&rst
ixpk= 3799, nxpk= 25, iat=2003,1954, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 129 GLU HN 129 GLU HA 2.80 (# 3800:25 Unique 2.85, 2.86 A)
&rst
ixpk= 3800, nxpk= 25, iat=1952,1954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:3801 0 AMB 25-1:3801 2.80 (# 3801:25 Double Ambig)
&rst
ixpk= 3801, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1748,2141,2151,
igr2=1750,2085,
&end
#
# 119 SER HN 116 GLN HA 4.50 (# 3802:25 Unique 3.15, 3.61 A)
&rst
ixpk= 3802, nxpk= 25, iat=1794,1750, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 GLN HN 116 GLN HB+ 2.80 (# 3803:25 Unique 2.28, 2.94 A)
&rst
ixpk= 3803, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1752,1753,
&end
#
# 0 AMB 25-2:3805 0 AMB 25-1:3805 3.50 (# 3805:25 Double Ambig)
&rst
ixpk= 3805, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1765,1719,
igr2=1752,1753,1752,1753,
&end
#
# 0 AMB 25-2:3806 116 GLN HB- 3.50 (# 3806:25 Single Ambig)
&rst
ixpk= 3806, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1765,1719,
igr2=1752,1753,
&end
#
# 116 GLN HA 116 GLN HB+ 2.80 (# 3807:25 Unique 2.57, 2.81 A)
&rst
ixpk= 3807, nxpk= 25, iat=1750, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1752,1753,
&end
#
# 116 GLN HA 116 GLN HB- 2.80 (# 3808:25 Unique 2.57, 2.81 A)
&rst
ixpk= 3808, nxpk= 25, iat=1750, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1752,1753,
&end
#
# 112 ILE QG2 116 GLN HB+ 5.50 (# 3809:25 Unique 4.13, 5.45 A)
&rst
ixpk= 3809, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1699,1700,1701,
igr2=1752,1753,
&end
#
# 112 ILE QG2 116 GLN HG- 4.50 (# 3811:25 Unique 2.92, 3.98 A)
&rst
ixpk= 3811, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1699,1700,1701,
igr2=1755,1756,
&end
#
# 116 GLN HA 116 GLN HG- 2.80 (# 3813:25 Unique 2.41, 3.09 A)
&rst
ixpk= 3813, nxpk= 25, iat=1750, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1755,1756,
&end
#
# 116 GLN HE2- 116 GLN HG+ 4.50 (# 3814:25 Unique 2.25, 3.29 A)
&rst
ixpk= 3814, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1760,1761,
igr2=1755,1756,
&end
#
# 116 GLN HE2- 116 GLN HG- 4.50 (# 3815:25 Unique 2.25, 3.29 A)
&rst
ixpk= 3815, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1760,1761,
igr2=1755,1756,
&end
#
# 116 GLN HE2+ 116 GLN HG+ 3.50 (# 3816:25 Unique 2.25, 3.29 A)
&rst
ixpk= 3816, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1760,1761,
igr2=1755,1756,
&end
#
# 116 GLN HE2+ 116 GLN HG- 3.50 (# 3817:25 Unique 2.25, 3.29 A)
&rst
ixpk= 3817, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1760,1761,
igr2=1755,1756,
&end
#
# 0 AMB 25-2:3818 116 GLN HG- 4.50 (# 3818:25 Single Ambig)
&rst
ixpk= 3818, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1765,1719,
igr2=1755,1756,
&end
#
# 116 GLN HN 116 GLN HG- 3.50 (# 3819:25 Unique 2.34, 3.00 A)
&rst
ixpk= 3819, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1755,1756,
&end
#
# 117 ALA HN 117 ALA HA 2.80 (# 3820:25 Unique 2.92, 2.93 A)
&rst
ixpk= 3820, nxpk= 25, iat=1765,1767, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 118 LEU HN 117 ALA HA 3.50 (# 3821:25 Unique 3.55, 3.60 A)
&rst
ixpk= 3821, nxpk= 25, iat=1775,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 GLU HN 117 ALA HA 4.50 (# 3822:25 Unique 3.51, 3.61 A)
&rst
ixpk= 3822, nxpk= 25, iat=1805,1767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 121 LEU HN 117 ALA HA 5.50 (# 3823:25 Unique 5.58, 5.64 A)
&rst
ixpk= 3823, nxpk= 25, iat=1820,1767, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 GLU HG+ 117 ALA HA 4.50 (# 3824:25 Unique 2.51, 3.08 A)
&rst
ixpk= 3824, nxpk= 25, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1812,1813,
&end
#
# 0 AMB 25-2:3825 117 ALA HA 4.50 (# 3825:25 Single Ambig)
&rst
ixpk= 3825, nxpk= 25, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1812,1813, 11, 12,
&end
#
# 120 GLU HB+ 117 ALA HA 4.50 (# 3826:25 Unique 3.90, 4.62 A)
&rst
ixpk= 3826, nxpk= 25, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1809,1810,
&end
#
# 117 ALA MB 117 ALA HA 2.80 (# 3827:25 Unique 2.38, 2.67 A)
&rst
ixpk= 3827, nxpk= 25, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1769,1770,1771,
&end
#
# 117 ALA HA 117 ALA MB 2.80 (# 3829:25 Unique 2.38, 2.67 A)
&rst
ixpk= 3829, nxpk= 25, iat=1767, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1769,1770,1771,
&end
#
# 117 ALA HN 117 ALA MB 2.80 (# 3831:25 Unique 2.50, 3.05 A)
&rst
ixpk= 3831, nxpk= 25, iat=1765, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1769,1770,1771,
&end
#
# 119 SER HN 118 LEU HA 4.50 (# 3832:25 Unique 3.40, 3.46 A)
&rst
ixpk= 3832, nxpk= 25, iat=1794,1777, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 LEU HN 118 LEU HA 3.50 (# 3833:25 Unique 2.84, 2.85 A)
&rst
ixpk= 3833, nxpk= 25, iat=1775,1777, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 132 LEU HN 132 LEU HA 3.50 (# 3834:25 Unique 2.78, 2.82 A)
&rst
ixpk= 3834, nxpk= 25, iat=2003,2005, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 GLU HN 118 LEU HA 5.50 (# 3835:25 Unique 3.40, 3.60 A)
&rst
ixpk= 3835, nxpk= 25, iat=1805,1777, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 LEU HN 118 LEU HA 3.50 (# 3836:25 Unique 3.06, 3.36 A)
&rst
ixpk= 3836, nxpk= 25, iat=1820,1777, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 ILE HA 118 LEU HA 5.50 (# 3837:25 Unique 5.28, 5.56 A)
&rst
ixpk= 3837, nxpk= 25, iat=1731,1777, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3839 118 LEU HA 2.80 (# 3839:25 Single Ambig)
&rst
ixpk= 3839, nxpk= 25, iat= -1,1777, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1779,1780,1824,1825,
&end
#
# 0 AMB 25-2:3840 0 AMB 25-1:3840 4.50 (# 3840:25 Double Ambig)
&rst
ixpk= 3840, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1779,1780,2007,2008,
igr2=1777,2005,
&end
#
# 83 LEU MDY 132 LEU HA 2.80 (# 3841:25 Unique 2.11, 4.04 A)
&rst
ixpk= 3841, nxpk= 25, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 25-2:3842 132 LEU HA 4.50 (# 3842:25 Single Ambig)
&rst
ixpk= 3842, nxpk= 25, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1521,1522,1988,1989,1502,1503,
&end
#
# 0 AMB 25-2:3843 0 AMB 25-1:3843 2.80 (# 3843:25 Double Ambig)
&rst
ixpk= 3843, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
2017,2018,1784,1785,1786,1788,1789,1790,
igr2=2005,1777,
&end
#
# 118 LEU MDX 0 AMB 25-1:3844 2.80 (# 3844:25 Single Ambig)
&rst
ixpk= 3844, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1784,1785,1786,1788,1789,1790,
igr2=1779,1780,1824,1825,
&end
#
# 0 AMB 25-2:3848 0 AMB 25-1:3848 4.50 (# 3848:25 Double Ambig)
&rst
ixpk= 3848, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1588,1988,1989,
igr2=1779,1780,1824,1825,
&end
#
# 0 AMB 25-2:3849 0 AMB 25-1:3849 3.50 (# 3849:25 Double Ambig)
&rst
ixpk= 3849, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1=2028,2029,2030,1988,1989,1502,1503,1588,
igr2=2007,2008,2007,2008,2007,2008,1779,1780,
&end
#
# 115 ILE HA 118 LEU HB+ 4.50 (# 3850:25 Unique 2.48, 4.31 A)
&rst
ixpk= 3850, nxpk= 25, iat=1731, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1779,1780,
&end
#
# 118 LEU HA 0 AMB 25-1:3851 2.80 (# 3851:25 Single Ambig)
&rst
ixpk= 3851, nxpk= 25, iat=1777, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1779,1780,1824,1825,
&end
#
# 121 LEU HA 121 LEU HB- 3.50 (# 3852:25 Unique 2.40, 2.73 A)
&rst
ixpk= 3852, nxpk= 25, iat=1822, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1824,1825,
&end
#
# 118 LEU HN 118 LEU HB+ 2.80 (# 3853:25 Unique 2.37, 3.08 A)
&rst
ixpk= 3853, nxpk= 25, iat=1775, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1779,1780,
&end
#
# 119 SER HN 118 LEU HB+ 3.50 (# 3854:25 Unique 2.74, 3.86 A)
&rst
ixpk= 3854, nxpk= 25, iat=1794, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1779,1780,
&end
#
# 118 LEU HN 118 LEU HG 2.80 (# 3855:25 Unique 2.01, 2.12 A)
&rst
ixpk= 3855, nxpk= 25, iat=1775,1782, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 118 LEU HA 0 AMB 25-1:3856 2.80 (# 3856:25 Single Ambig)
&rst
ixpk= 3856, nxpk= 25, iat=1777, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1827,1782,
&end
#
# 98 LYS HE- 132 LEU MDY 4.50 (# 3858:25 Unique 2.48, 5.90 A)
&rst
ixpk= 3858, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1508,1509,
igr2=2012,2013,2014,2016,2017,2018,
&end
#
# 0 AMB 25-2:3859 0 AMB 25-1:3859 2.80 (# 3859:25 Double Ambig)
&rst
ixpk= 3859, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=2005,1777,1796,
igr2=2012,2013,2014,2016,2017,2018,1784,1785,1786,1788,
1789,1790,
&end
#
# 62 GLY HA+ 132 LEU MDY 3.50 (# 3860:25 Unique 3.08, 5.44 A)
&rst
ixpk= 3860, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 973, 974,
igr2=2012,2013,2014,2016,2017,2018,
&end
#
# 0 AMB 25-2:3862 0 AMB 25-1:3862 3.50 (# 3862:25 Double Ambig)
&rst
ixpk= 3862, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2003,1839,1729,
igr2=2012,2013,2014,2016,2017,2018,1784,1785,1786,1788,
1789,1790,
&end
#
# 120 GLU HN 120 GLU HA 2.80 (# 3863:25 Unique 2.86, 2.87 A)
&rst
ixpk= 3863, nxpk= 25, iat=1805,1807, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 121 LEU HN 120 GLU HA 3.50 (# 3864:25 Unique 3.38, 3.43 A)
&rst
ixpk= 3864, nxpk= 25, iat=1820,1807, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 CYS HB+ 120 GLU HA 4.50 (# 3865:25 Unique 4.32, 5.41 A)
&rst
ixpk= 3865, nxpk= 25, iat= -1,1807, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1862,1863,
&end
#
# 120 GLU HN 120 GLU HB+ 2.80 (# 3866:25 Unique 2.47, 3.07 A)
&rst
ixpk= 3866, nxpk= 25, iat=1805, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1809,1810,
&end
#
# 120 GLU HB+ 120 GLU HG+ 2.80 (# 3868:25 Unique 2.37, 2.64 A)
&rst
ixpk= 3868, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1809,1810,
igr2=1812,1813,
&end
#
# 120 GLU HA 120 GLU HG+ 3.50 (# 3870:25 Unique 2.51, 3.38 A)
&rst
ixpk= 3870, nxpk= 25, iat=1807, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1812,1813,
&end
#
# 120 GLU HN 120 GLU HG+ 3.50 (# 3871:25 Unique 2.20, 2.89 A)
&rst
ixpk= 3871, nxpk= 25, iat=1805, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1812,1813,
&end
#
# 120 GLU HN 120 GLU HG- 3.50 (# 3872:25 Unique 2.20, 2.89 A)
&rst
ixpk= 3872, nxpk= 25, iat=1805, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1812,1813,
&end
#
# 121 LEU HN 120 GLU HG+ 5.50 (# 3873:25 Unique 4.32, 4.79 A)
&rst
ixpk= 3873, nxpk= 25, iat=1820, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1812,1813,
&end
#
# 0 AMB 25-2:3874 0 AMB 25-1:3874 3.50 (# 3874:25 Double Ambig)
&rst
ixpk= 3874, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1914,1820,
igr2=1906,1907,1812,1813,
&end
#
# 0 AMB 25-2:3875 0 AMB 25-1:3875 3.50 (# 3875:25 Double Ambig)
&rst
ixpk= 3875, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1839,1581,
igr2=1822,1602,
&end
#
# 0 AMB 25-2:3876 121 LEU HA 3.50 (# 3876:25 Single Ambig)
&rst
ixpk= 3876, nxpk= 25, iat= -1,1822, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1820,1869,
&end
#
# 0 AMB 25-2:3878 0 AMB 25-1:3878 2.80 (# 3878:25 Double Ambig)
&rst
ixpk= 3878, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1839,2003,
igr2=1824,1825,2007,2008,
&end
#
# 122 LEU HN 121 LEU HB- 3.50 (# 3879:25 Unique 2.11, 2.82 A)
&rst
ixpk= 3879, nxpk= 25, iat=1839, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1824,1825,
&end
#
# 120 GLU HN 121 LEU HB- 5.50 (# 3880:25 Unique 4.73, 5.40 A)
&rst
ixpk= 3880, nxpk= 25, iat=1805, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1824,1825,
&end
#
# 121 LEU HN 121 LEU HB- 3.50 (# 3881:25 Unique 2.54, 3.18 A)
&rst
ixpk= 3881, nxpk= 25, iat=1820, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1824,1825,
&end
#
# 121 LEU HN 121 LEU HB+ 2.80 (# 3882:25 Unique 2.54, 3.18 A)
&rst
ixpk= 3882, nxpk= 25, iat=1820, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1824,1825,
&end
#
# 121 LEU HA 121 LEU HB+ 3.50 (# 3883:25 Unique 2.40, 2.73 A)
&rst
ixpk= 3883, nxpk= 25, iat=1822, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1824,1825,
&end
#
# 0 AMB 25-2:3886 121 LEU MDX 4.50 (# 3886:25 Single Ambig)
&rst
ixpk= 3886, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2236,1839,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 121 LEU HN 121 LEU MDX 5.50 (# 3887:25 Unique 3.20, 4.60 A)
&rst
ixpk= 3887, nxpk= 25, iat=1820, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 121 LEU HA 121 LEU MDX 4.50 (# 3888:25 Unique 2.30, 3.86 A)
&rst
ixpk= 3888, nxpk= 25, iat=1822, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 118 LEU HA 121 LEU MDX 4.50 (# 3889:25 Unique 3.07, 4.96 A)
&rst
ixpk= 3889, nxpk= 25, iat=1777, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 144 ILE HA 121 LEU MDX 4.50 (# 3890:25 Unique 2.31, 4.09 A)
&rst
ixpk= 3890, nxpk= 25, iat=2184, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 146 ARG HD+ 121 LEU MDX 5.50 (# 3891:25 Unique 3.55, 7.44 A)
&rst
ixpk= 3891, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2222,2223,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 121 LEU HB+ 121 LEU MDX 2.80 (# 3892:25 Unique 2.33, 3.37 A)
&rst
ixpk= 3892, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1824,1825,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 0 AMB 25-2:3893 121 LEU MDX 2.80 (# 3893:25 Single Ambig)
&rst
ixpk= 3893, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1824,1825,2219,2220,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 0 AMB 25-2:3894 121 LEU MDX 2.80 (# 3894:25 Single Ambig)
&rst
ixpk= 3894, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1924,1925,1827,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 144 ILE QD1 121 LEU MDX 3.50 (# 3895:25 Unique 2.16, 4.60 A)
&rst
ixpk= 3895, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2195,2196,2197,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 144 ILE QD1 121 LEU MDY 4.50 (# 3896:25 Unique 2.16, 4.60 A)
&rst
ixpk= 3896, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=2195,2196,2197,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 146 ARG HD+ 121 LEU MDY 5.50 (# 3897:25 Unique 3.55, 7.44 A)
&rst
ixpk= 3897, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2222,2223,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 121 LEU HA 121 LEU MDY 2.80 (# 3898:25 Unique 2.30, 3.86 A)
&rst
ixpk= 3898, nxpk= 25, iat=1822, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 121 LEU HN 121 LEU MDY 4.50 (# 3899:25 Unique 3.20, 4.60 A)
&rst
ixpk= 3899, nxpk= 25, iat=1820, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1829,1830,1831,1833,1834,1835,
&end
#
# 122 LEU HN 122 LEU HA 3.50 (# 3901:25 Unique 2.80, 2.87 A)
&rst
ixpk= 3901, nxpk= 25, iat=1839,1841, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 CYS HN 122 LEU HA 4.50 (# 3902:25 Unique 3.28, 3.43 A)
&rst
ixpk= 3902, nxpk= 25, iat=1858,1841, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3903 122 LEU HA 3.50 (# 3903:25 Single Ambig)
&rst
ixpk= 3903, nxpk= 25, iat= -1,1841, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1869,1820,
&end
#
# 127 ILE HB 122 LEU HA 5.50 (# 3904:25 Unique 5.15, 5.46 A)
&rst
ixpk= 3904, nxpk= 25, iat=1918,1841, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3905 122 LEU HA 5.50 (# 3905:25 Single Ambig)
&rst
ixpk= 3905, nxpk= 25, iat= -1,1841, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1873,1874,1988,1989,
&end
#
# 122 LEU HB+ 122 LEU HA 2.80 (# 3906:25 Unique 2.36, 2.73 A)
&rst
ixpk= 3906, nxpk= 25, iat= -1,1841, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1843,1844,
&end
#
# 122 LEU HB- 122 LEU HA 2.80 (# 3907:25 Unique 2.36, 2.73 A)
&rst
ixpk= 3907, nxpk= 25, iat= -1,1841, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1843,1844,
&end
#
# 0 AMB 25-2:3908 122 LEU HA 2.80 (# 3908:25 Single Ambig)
&rst
ixpk= 3908, nxpk= 25, iat= -1,1841, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
1947,1948,
&end
#
# 0 AMB 25-2:3909 122 LEU HA 2.80 (# 3909:25 Single Ambig)
&rst
ixpk= 3909, nxpk= 25, iat= -1,1841, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 984, 985, 986, 988, 989, 990,1920,1921,1922, 937,
938, 939, 941, 942, 943,
&end
#
# 122 LEU MDX 122 LEU HA 2.80 (# 3910:25 Unique 2.14, 3.62 A)
&rst
ixpk= 3910, nxpk= 25, iat= -1,1841, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1848,1849,1850,1852,1853,1854,
&end
#
# 122 LEU MDX 122 LEU HB+ 2.80 (# 3911:25 Unique 2.24, 3.38 A)
&rst
ixpk= 3911, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1848,1849,1850,1852,1853,1854,
igr2=1843,1844,
&end
#
# 122 LEU HG 122 LEU HB- 2.80 (# 3912:25 Unique 2.33, 2.68 A)
&rst
ixpk= 3912, nxpk= 25, iat=1846, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1843,1844,
&end
#
# 122 LEU MDX 122 LEU HB- 2.80 (# 3913:25 Unique 2.24, 3.38 A)
&rst
ixpk= 3913, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1848,1849,1850,1852,1853,1854,
igr2=1843,1844,
&end
#
# 122 LEU HG 122 LEU HB+ 2.80 (# 3914:25 Unique 2.33, 2.68 A)
&rst
ixpk= 3914, nxpk= 25, iat=1846, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1843,1844,
&end
#
# 122 LEU HA 122 LEU HB- 2.80 (# 3915:25 Unique 2.36, 2.73 A)
&rst
ixpk= 3915, nxpk= 25, iat=1841, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1843,1844,
&end
#
# 0 AMB 25-2:3916 122 LEU HB- 5.50 (# 3916:25 Single Ambig)
&rst
ixpk= 3916, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1820,1869,
igr2=1843,1844,
&end
#
# 123 CYS HN 122 LEU HB- 5.50 (# 3917:25 Unique 2.99, 3.81 A)
&rst
ixpk= 3917, nxpk= 25, iat=1858, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1843,1844,
&end
#
# 123 CYS HN 122 LEU HB+ 4.50 (# 3918:25 Unique 2.99, 3.81 A)
&rst
ixpk= 3918, nxpk= 25, iat=1858, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1843,1844,
&end
#
# 122 LEU HN 122 LEU HB+ 3.50 (# 3920:25 Unique 2.26, 3.04 A)
&rst
ixpk= 3920, nxpk= 25, iat=1839, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1843,1844,
&end
#
# 122 LEU HN 122 LEU HB- 3.50 (# 3921:25 Unique 2.26, 3.04 A)
&rst
ixpk= 3921, nxpk= 25, iat=1839, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1843,1844,
&end
#
# 122 LEU HN 122 LEU HG 5.50 (# 3922:25 Unique 2.20, 2.55 A)
&rst
ixpk= 3922, nxpk= 25, iat=1839,1846, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3924 122 LEU HG 2.80 (# 3924:25 Single Ambig)
&rst
ixpk= 3924, nxpk= 25, iat= -1,1846, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1565,1566,1843,1844,
&end
#
# 101 ILE HB 122 LEU MDX 3.50 (# 3925:25 Unique 2.06, 3.58 A)
&rst
ixpk= 3925, nxpk= 25, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1848,1849,1850,1852,1853,1854,
&end
#
# 122 LEU HB- 122 LEU MDX 2.80 (# 3926:25 Unique 2.24, 3.38 A)
&rst
ixpk= 3926, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1843,1844,
igr2=1848,1849,1850,1852,1853,1854,
&end
#
# 0 AMB 25-2:3927 0 AMB 25-1:3927 2.80 (# 3927:25 Double Ambig)
&rst
ixpk= 3927, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1841, 618, 619,
igr2=1848,1849,1850,1852,1853,1854,1152,1153,1154,1156,
1157,1158,
&end
#
# 122 LEU HN 122 LEU MDX 3.50 (# 3928:25 Unique 2.07, 4.20 A)
&rst
ixpk= 3928, nxpk= 25, iat=1839, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1848,1849,1850,1852,1853,1854,
&end
#
# 123 CYS HN 123 CYS HA 3.50 (# 3929:25 Unique 2.97, 2.97 A)
&rst
ixpk= 3929, nxpk= 25, iat=1858,1860, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 GLU HN 123 CYS HA 2.80 (# 3930:25 Unique 2.89, 2.92 A)
&rst
ixpk= 3930, nxpk= 25, iat=1869,1860, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 85 GLU HA 16 HIS HA 5.50 (# 3932:25 Unique 4.81, 5.07 A)
&rst
ixpk= 3932, nxpk= 25, iat=1306, 246, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 123 CYS HB+ 123 CYS HA 2.80 (# 3933:25 Unique 2.41, 2.73 A)
&rst
ixpk= 3933, nxpk= 25, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1862,1863,
&end
#
# 0 AMB 25-2:3935 123 CYS HA 4.50 (# 3935:25 Single Ambig)
&rst
ixpk= 3935, nxpk= 25, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
1947,1948, 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 25-2:3936 16 HIS HA 4.50 (# 3936:25 Single Ambig)
&rst
ixpk= 3936, nxpk= 25, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 215, 216, 217, 219, 220, 221,1294,1295,1296,1298,
1299,1300,
&end
#
# 123 CYS HN 123 CYS HB+ 2.80 (# 3937:25 Unique 2.59, 3.26 A)
&rst
ixpk= 3937, nxpk= 25, iat=1858, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1862,1863,
&end
#
# 0 AMB 25-2:3938 0 AMB 25-1:3938 4.50 (# 3938:25 Double Ambig)
&rst
ixpk= 3938, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1869,1820,
igr2=1862,1863,1862,1863,
&end
#
# 123 CYS HA 123 CYS HB+ 2.80 (# 3940:25 Unique 2.41, 2.73 A)
&rst
ixpk= 3940, nxpk= 25, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1862,1863,
&end
#
# 120 GLU HA 123 CYS HB+ 4.50 (# 3941:25 Unique 4.32, 5.41 A)
&rst
ixpk= 3941, nxpk= 25, iat=1807, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1862,1863,
&end
#
# 42 TYR HA 72 CYS HB+ 3.50 (# 3942:25 Unique 2.51, 3.11 A)
&rst
ixpk= 3942, nxpk= 25, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1119,1120,
&end
#
# 70 PRO HD- 69 ARG HA 2.80 (# 3943:25 Unique 2.12, 2.44 A)
&rst
ixpk= 3943, nxpk= 25, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1087,1088,
&end
#
# 70 PRO HD+ 69 ARG HA 2.80 (# 3944:25 Unique 2.12, 2.44 A)
&rst
ixpk= 3944, nxpk= 25, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1087,1088,
&end
#
# 69 ARG HN 69 ARG HA 3.50 (# 3945:25 Unique 2.82, 2.86 A)
&rst
ixpk= 3945, nxpk= 25, iat=1062,1064, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:3946 0 AMB 25-1:3946 3.50 (# 3946:25 Double Ambig)
&rst
ixpk= 3946, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 560, 2,
igr2= 540, 23,
&end
#
# 124 GLU HA 124 GLU HB+ 2.80 (# 3947:25 Unique 2.53, 2.80 A)
&rst
ixpk= 3947, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1873,1874,
&end
#
# 0 AMB 25-2:3948 0 AMB 25-1:3948 3.50 (# 3948:25 Double Ambig)
&rst
ixpk= 3948, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1924,1925,1502,1503,
igr2=1873,1874,1308,1309,
&end
#
# 0 AMB 25-2:3949 0 AMB 25-1:3949 2.80 (# 3949:25 Double Ambig)
&rst
ixpk= 3949, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1827,1924,1925,
igr2=1809,1810,1873,1874,
&end
#
# 0 AMB 25-2:3950 0 AMB 25-1:3950 2.80 (# 3950:25 Double Ambig)
&rst
ixpk= 3950, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1927,1928,1929,1829,1830,1831,1833,1834,1835,
igr2=1873,1874,1809,1810,
&end
#
# 127 ILE QD1 124 GLU HG- 3.50 (# 3951:25 Unique 2.31, 4.44 A)
&rst
ixpk= 3951, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1927,1928,1929,
igr2=1876,1877,
&end
#
# 121 LEU MDY 124 GLU HG- 4.50 (# 3952:25 Unique 4.94, 7.81 A)
&rst
ixpk= 3952, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1829,1830,1831,1833,1834,1835,
igr2=1876,1877,
&end
#
# 127 ILE HG1+ 124 GLU HG+ 4.50 (# 3953:25 Unique 3.62, 5.25 A)
&rst
ixpk= 3953, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1924,1925,
igr2=1876,1877,
&end
#
# 127 ILE HG1+ 124 GLU HG- 5.50 (# 3954:25 Unique 3.62, 5.25 A)
&rst
ixpk= 3954, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1924,1925,
igr2=1876,1877,
&end
#
# 0 AMB 25-2:3955 124 GLU HG- 3.50 (# 3955:25 Single Ambig)
&rst
ixpk= 3955, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1914,1869,
igr2=1876,1877,
&end
#
# 125 GLU HN 124 GLU HG+ 4.50 (# 3956:25 Unique 3.92, 5.01 A)
&rst
ixpk= 3956, nxpk= 25, iat=1884, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1876,1877,
&end
#
# 126 GLU HN 125 GLU HA 3.50 (# 3958:25 Unique 3.49, 3.50 A)
&rst
ixpk= 3958, nxpk= 25, iat=1899,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 GLU HN 125 GLU HA 3.50 (# 3959:25 Unique 2.75, 2.79 A)
&rst
ixpk= 3959, nxpk= 25, iat=1884,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 GLU HN 125 GLU HB+ 2.80 (# 3960:25 Unique 2.42, 3.05 A)
&rst
ixpk= 3960, nxpk= 25, iat=1884, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1888,1889,
&end
#
# 126 GLU HN 125 GLU HG+ 3.50 (# 3962:25 Unique 2.50, 2.95 A)
&rst
ixpk= 3962, nxpk= 25, iat=1899, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1891,1892,
&end
#
# 125 GLU HN 125 GLU HG+ 2.80 (# 3965:25 Unique 2.21, 2.93 A)
&rst
ixpk= 3965, nxpk= 25, iat=1884, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1891,1892,
&end
#
# 0 AMB 25-2:3967 0 AMB 25-1:3967 2.80 (# 3967:25 Double Ambig)
&rst
ixpk= 3967, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1906,1907, 386,
igr2=1901, 403,
&end
#
# 126 GLU HB+ 126 GLU HA 2.80 (# 3968:25 Unique 2.44, 2.77 A)
&rst
ixpk= 3968, nxpk= 25, iat= -1,1901, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1903,1904,
&end
#
# 26 ASP HB+ 26 ASP HA 2.80 (# 3969:25 Unique 2.43, 2.74 A)
&rst
ixpk= 3969, nxpk= 25, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 405, 406,
&end
#
# 127 ILE HN 126 GLU HA 3.50 (# 3970:25 Unique 3.54, 3.55 A)
&rst
ixpk= 3970, nxpk= 25, iat=1914,1901, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 GLU HN 126 GLU HB+ 2.80 (# 3971:25 Unique 2.44, 3.07 A)
&rst
ixpk= 3971, nxpk= 25, iat=1899, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1903,1904,
&end
#
# 0 AMB 25-2:3972 0 AMB 25-1:3972 2.80 (# 3972:25 Double Ambig)
&rst
ixpk= 3972, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1901,1767,
igr2=1906,1907,1812,1813,
&end
#
# 130 GLN HE2+ 126 GLU HG+ 4.50 (# 3973:25 Unique 5.13, 5.76 A)
&rst
ixpk= 3973, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1979,1980,
igr2=1906,1907,
&end
#
# 127 ILE HG1+ 127 ILE HA 2.80 (# 3974:25 Unique 2.45, 3.09 A)
&rst
ixpk= 3974, nxpk= 25, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1924,1925,
&end
#
# 0 AMB 25-2:3975 127 ILE HA 2.80 (# 3975:25 Single Ambig)
&rst
ixpk= 3975, nxpk= 25, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1927,1928,1929,1920,1921,1922,
&end
#
# 127 ILE HB 127 ILE HA 2.80 (# 3977:25 Unique 2.98, 2.99 A)
&rst
ixpk= 3977, nxpk= 25, iat=1918,1916, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 130 GLN HG+ 127 ILE HA 4.50 (# 3978:25 Unique 3.45, 4.43 A)
&rst
ixpk= 3978, nxpk= 25, iat= -1,1916, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1974,1975,
&end
#
# 127 ILE HN 127 ILE HA 3.50 (# 3979:25 Unique 2.89, 2.89 A)
&rst
ixpk= 3979, nxpk= 25, iat=1914,1916, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 130 GLN HN 127 ILE HA 3.50 (# 3980:25 Unique 3.09, 3.27 A)
&rst
ixpk= 3980, nxpk= 25, iat=1967,1916, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 GLY HN 95 GLU HG+ 3.50 (# 3981:25 Unique 2.44, 3.32 A)
&rst
ixpk= 3981, nxpk= 25, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1454,1455,
&end
#
# 95 GLU HN 95 GLU HG+ 3.50 (# 3982:25 Unique 2.82, 3.64 A)
&rst
ixpk= 3982, nxpk= 25, iat=1447, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1454,1455,
&end
#
# 128 LEU HN 127 ILE HB 2.80 (# 3983:25 Unique 2.67, 2.79 A)
&rst
ixpk= 3983, nxpk= 25, iat=1933,1918, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 127 ILE HN 127 ILE HB 2.80 (# 3984:25 Unique 2.18, 2.23 A)
&rst
ixpk= 3984, nxpk= 25, iat=1914,1918, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 GLU HA 95 GLU HG+ 3.50 (# 3985:25 Unique 2.44, 3.61 A)
&rst
ixpk= 3985, nxpk= 25, iat=1449, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1454,1455,
&end
#
# 62 GLY HA+ 95 GLU HG+ 3.50 (# 3986:25 Unique 2.70, 3.81 A)
&rst
ixpk= 3986, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 973, 974,
igr2=1454,1455,
&end
#
# 61 PRO HA 95 GLU HG+ 3.50 (# 3987:25 Unique 2.52, 4.06 A)
&rst
ixpk= 3987, nxpk= 25, iat= 967, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1454,1455,
&end
#
# 0 AMB 25-2:3988 0 AMB 25-1:3988 2.80 (# 3988:25 Double Ambig)
&rst
ixpk= 3988, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1=1463,1464,1916,1969,
igr2=1454,1455,1918,1959,1960,
&end
#
# 96 PRO HD+ 95 GLU HG+ 2.80 (# 3989:25 Unique 2.28, 4.13 A)
&rst
ixpk= 3989, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1463,1464,
igr2=1454,1455,
&end
#
# 127 ILE HG1- 127 ILE HB 2.80 (# 3990:25 Unique 2.39, 2.73 A)
&rst
ixpk= 3990, nxpk= 25, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1924,1925,
&end
#
# 127 ILE HG1+ 127 ILE HB 2.80 (# 3991:25 Unique 2.39, 2.73 A)
&rst
ixpk= 3991, nxpk= 25, iat= -1,1918, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1924,1925,
&end
#
# 129 GLU HA 129 GLU HG+ 3.50 (# 3992:25 Unique 2.31, 2.57 A)
&rst
ixpk= 3992, nxpk= 25, iat=1954, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1959,1960,
&end
#
# 0 AMB 25-2:3993 127 ILE HG1- 2.80 (# 3993:25 Single Ambig)
&rst
ixpk= 3993, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1920,1921,1922,1927,1928,1929,1829,1830,1831,1833,
1834,1835,2169,2170,2171,
igr2=1924,1925,
&end
#
# 0 AMB 25-2:3994 0 AMB 25-1:3994 2.80 (# 3994:25 Double Ambig)
&rst
ixpk= 3994, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1920,1921,1922,1927,1928,1929,1829,1830,1831,1833,
1834,1835,2169,2170,2171,
igr2=1924,1925,1924,1925,1924,1925,1924,1925,
&end
#
# 127 ILE HB 127 ILE HG1+ 2.80 (# 3997:25 Unique 2.39, 2.73 A)
&rst
ixpk= 3997, nxpk= 25, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1924,1925,
&end
#
# 79 MET HG+ 103 LEU HG 3.50 (# 3998:25 Unique 2.06, 2.45 A)
&rst
ixpk= 3998, nxpk= 25, iat= -1,1588, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1212,1213,
&end
#
# 127 ILE HA 127 ILE HG1- 3.50 (# 4000:25 Unique 2.45, 3.09 A)
&rst
ixpk= 4000, nxpk= 25, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1924,1925,
&end
#
# 127 ILE HA 127 ILE HG1+ 3.50 (# 4001:25 Unique 2.45, 3.09 A)
&rst
ixpk= 4001, nxpk= 25, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1924,1925,
&end
#
# 127 ILE HN 127 ILE QD1 4.50 (# 4004:25 Unique 2.37, 3.11 A)
&rst
ixpk= 4004, nxpk= 25, iat=1914, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1927,1928,1929,
&end
#
# 127 ILE HA 127 ILE QD1 2.80 (# 4005:25 Unique 2.56, 3.42 A)
&rst
ixpk= 4005, nxpk= 25, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1927,1928,1929,
&end
#
# 146 ARG HD+ 127 ILE QD1 5.50 (# 4006:25 Unique 2.32, 4.95 A)
&rst
ixpk= 4006, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2222,2223,
igr2=1927,1928,1929,
&end
#
# 124 GLU HG+ 127 ILE QD1 4.50 (# 4007:25 Unique 2.31, 4.44 A)
&rst
ixpk= 4007, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1876,1877,
igr2=1927,1928,1929,
&end
#
# 127 ILE HB 127 ILE QD1 2.80 (# 4008:25 Unique 2.63, 3.31 A)
&rst
ixpk= 4008, nxpk= 25, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1927,1928,1929,
&end
#
# 124 GLU HB+ 127 ILE QD1 2.80 (# 4009:25 Unique 2.27, 4.08 A)
&rst
ixpk= 4009, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1873,1874,
igr2=1927,1928,1929,
&end
#
# 0 AMB 25-2:4010 127 ILE QD1 4.50 (# 4010:25 Single Ambig)
&rst
ixpk= 4010, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2173,2174,1824,1825,
igr2=1927,1928,1929,
&end
#
# 127 ILE HG1- 127 ILE QD1 2.80 (# 4011:25 Unique 2.34, 2.64 A)
&rst
ixpk= 4011, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1924,1925,
igr2=1927,1928,1929,
&end
#
# 127 ILE HG1+ 127 ILE QD1 2.80 (# 4012:25 Unique 2.34, 2.64 A)
&rst
ixpk= 4012, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1924,1925,
igr2=1927,1928,1929,
&end
#
# 46 ILE HG1+ 46 ILE QG2 2.80 (# 4013:25 Unique 2.36, 3.52 A)
&rst
ixpk= 4013, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 731, 732,
igr2= 727, 728, 729,
&end
#
# 127 ILE HG1- 127 ILE QG2 2.80 (# 4014:25 Unique 2.30, 3.05 A)
&rst
ixpk= 4014, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1924,1925,
igr2=1920,1921,1922,
&end
#
# 127 ILE HG1+ 127 ILE QG2 2.80 (# 4015:25 Unique 2.30, 3.05 A)
&rst
ixpk= 4015, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1924,1925,
igr2=1920,1921,1922,
&end
#
# 127 ILE HB 127 ILE QG2 2.80 (# 4016:25 Unique 2.33, 2.65 A)
&rst
ixpk= 4016, nxpk= 25, iat=1918, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1920,1921,1922,
&end
#
# 121 LEU HA 127 ILE QG2 4.50 (# 4018:25 Unique 2.15, 3.07 A)
&rst
ixpk= 4018, nxpk= 25, iat=1822, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1920,1921,1922,
&end
#
# 0 AMB 25-2:4019 127 ILE QG2 3.50 (# 4019:25 Single Ambig)
&rst
ixpk= 4019, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1914,1869,1820,
igr2=1920,1921,1922,
&end
#
# 128 LEU HN 127 ILE QG2 3.50 (# 4024:25 Unique 3.14, 4.05 A)
&rst
ixpk= 4024, nxpk= 25, iat=1933, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1920,1921,1922,
&end
#
# 128 LEU HN 128 LEU HA 2.80 (# 4025:25 Unique 2.74, 2.77 A)
&rst
ixpk= 4025, nxpk= 25, iat=1933,1935, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 129 GLU HN 128 LEU HA 3.50 (# 4027:25 Unique 3.55, 3.57 A)
&rst
ixpk= 4027, nxpk= 25, iat=1952,1935, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:4029 0 AMB 25-1:4029 2.80 (# 4029:25 Double Ambig)
&rst
ixpk= 4029, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 286, 287,1937,1938,
igr2= 284,1935,
&end
#
# 0 AMB 25-2:4030 128 LEU HA 2.80 (# 4030:25 Single Ambig)
&rst
ixpk= 4030, nxpk= 25, iat= -1,1935, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1940,1937,1938,
&end
#
# 0 AMB 25-2:4031 128 LEU HA 2.80 (# 4031:25 Single Ambig)
&rst
ixpk= 4031, nxpk= 25, iat= -1,1935, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
1947,1948,
&end
#
# 131 LEU MDX 128 LEU HA 2.80 (# 4032:25 Unique 2.07, 4.59 A)
&rst
ixpk= 4032, nxpk= 25, iat= -1,1935, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 25-2:4033 128 LEU HB- 2.80 (# 4033:25 Single Ambig)
&rst
ixpk= 4033, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
1947,1948, 984, 985, 986, 988, 989, 990,
igr2=1937,1938,
&end
#
# 0 AMB 25-2:4034 0 AMB 25-1:4034 2.80 (# 4034:25 Double Ambig)
&rst
ixpk= 4034, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
1947,1948, 984, 985, 986, 988, 989, 990,
igr2=1937,1938,1937,1938,1937,1938,
&end
#
# 0 AMB 25-2:4035 128 LEU HB- 2.80 (# 4035:25 Single Ambig)
&rst
ixpk= 4035, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1886,1935,
igr2=1937,1938,
&end
#
# 0 AMB 25-2:4036 0 AMB 25-1:4036 2.80 (# 4036:25 Double Ambig)
&rst
ixpk= 4036, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1886,1935,
igr2=1937,1938,1937,1938,
&end
#
# 0 AMB 25-2:4037 128 LEU HB- 4.50 (# 4037:25 Single Ambig)
&rst
ixpk= 4037, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1914,1869,
igr2=1937,1938,
&end
#
# 0 AMB 25-2:4038 0 AMB 25-1:4038 4.50 (# 4038:25 Double Ambig)
&rst
ixpk= 4038, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1914,1869,
igr2=1937,1938,1937,1938,
&end
#
# 129 GLU HN 128 LEU HB- 2.80 (# 4039:25 Unique 2.63, 3.13 A)
&rst
ixpk= 4039, nxpk= 25, iat=1952, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1937,1938,
&end
#
# 128 LEU HN 128 LEU HB- 2.80 (# 4040:25 Unique 2.40, 3.11 A)
&rst
ixpk= 4040, nxpk= 25, iat=1933, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1937,1938,
&end
#
# 129 GLU HN 128 LEU HB+ 3.50 (# 4041:25 Unique 2.63, 3.13 A)
&rst
ixpk= 4041, nxpk= 25, iat=1952, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1937,1938,
&end
#
# 128 LEU HN 128 LEU HB+ 2.80 (# 4042:25 Unique 2.40, 3.11 A)
&rst
ixpk= 4042, nxpk= 25, iat=1933, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1937,1938,
&end
#
# 128 LEU HN 128 LEU HG 3.50 (# 4043:25 Unique 2.25, 2.67 A)
&rst
ixpk= 4043, nxpk= 25, iat=1933,1940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:4044 128 LEU HG 2.80 (# 4044:25 Single Ambig)
&rst
ixpk= 4044, nxpk= 25, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1935,1886,
&end
#
# 0 AMB 25-2:4045 128 LEU MDX 2.80 (# 4045:25 Single Ambig)
&rst
ixpk= 4045, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1935,1886,
igr2=1942,1943,1944,1946,1947,1948,
&end
#
# 128 LEU HN 128 LEU MDX 4.50 (# 4046:25 Unique 2.18, 4.30 A)
&rst
ixpk= 4046, nxpk= 25, iat=1933, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1942,1943,1944,1946,1947,1948,
&end
#
# 128 LEU HN 128 LEU MDY 4.50 (# 4047:25 Unique 2.18, 4.30 A)
&rst
ixpk= 4047, nxpk= 25, iat=1933, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1942,1943,1944,1946,1947,1948,
&end
#
# 0 AMB 25-2:4048 0 AMB 25-1:4048 2.80 (# 4048:25 Double Ambig)
&rst
ixpk= 4048, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1841,1935,1886,2238,2239,
igr2=1942,1943,1944,1946,1947,1948,1829,1830,1831,1833,
1834,1835,
&end
#
# 0 AMB 25-2:4049 0 AMB 25-1:4049 3.50 (# 4049:25 Double Ambig)
&rst
ixpk= 4049, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1760,1761,1967,
igr2=1750,1954,
&end
#
# 133 THR HN 129 GLU HA 4.50 (# 4050:25 Unique 3.89, 4.26 A)
&rst
ixpk= 4050, nxpk= 25, iat=2022,1954, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:4051 138 LYS HA 2.80 (# 4051:25 Single Ambig)
&rst
ixpk= 4051, nxpk= 25, iat= -1,2085, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=2090,2091,2145,2146,2147,
&end
#
# 138 LYS HB- 138 LYS HA 2.80 (# 4052:25 Unique 2.43, 2.77 A)
&rst
ixpk= 4052, nxpk= 25, iat= -1,2085, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2087,2088,
&end
#
# 0 AMB 25-2:4053 138 LYS HA 2.80 (# 4053:25 Single Ambig)
&rst
ixpk= 4053, nxpk= 25, iat= -1,2085, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2093,2094,2087,2088,
&end
#
# 0 AMB 25-2:4055 0 AMB 25-1:4055 2.80 (# 4055:25 Double Ambig)
&rst
ixpk= 4055, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1959,1960,1752,1753,
igr2=1954,1750,
&end
#
# 129 GLU HN 129 GLU HB- 2.80 (# 4058:25 Unique 2.10, 2.85 A)
&rst
ixpk= 4058, nxpk= 25, iat=1952, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1956,1957,
&end
#
# 130 GLN HN 130 GLN HA 2.80 (# 4059:25 Unique 2.87, 2.88 A)
&rst
ixpk= 4059, nxpk= 25, iat=1967,1969, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 130 GLN HE2+ 130 GLN HA 5.50 (# 4060:25 Unique 4.70, 5.40 A)
&rst
ixpk= 4060, nxpk= 25, iat= -1,1969, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1979,1980,
&end
#
# 130 GLN HG+ 130 GLN HA 3.50 (# 4062:25 Unique 2.41, 2.65 A)
&rst
ixpk= 4062, nxpk= 25, iat= -1,1969, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1974,1975,
&end
#
# 130 GLN HB+ 130 GLN HA 2.80 (# 4063:25 Unique 2.52, 2.80 A)
&rst
ixpk= 4063, nxpk= 25, iat= -1,1969, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1971,1972,
&end
#
# 0 AMB 25-2:4064 130 GLN HA 2.80 (# 4064:25 Single Ambig)
&rst
ixpk= 4064, nxpk= 25, iat= -1,1969, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1974,1975,1971,1972,
&end
#
# 0 AMB 25-2:4065 130 GLN HB- 3.50 (# 4065:25 Single Ambig)
&rst
ixpk= 4065, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2176,2177,2178,2169,2170,2171,
igr2=1971,1972,
&end
#
# 0 AMB 25-2:4066 0 AMB 25-1:4066 2.80 (# 4066:25 Double Ambig)
&rst
ixpk= 4066, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2176,2177,2178,2169,2170,2171,
igr2=1971,1972,1971,1972,
&end
#
# 130 GLN HG+ 130 GLN HB- 3.50 (# 4069:25 Unique 2.37, 2.76 A)
&rst
ixpk= 4069, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1974,1975,
igr2=1971,1972,
&end
#
# 130 GLN HG+ 130 GLN HB+ 2.80 (# 4070:25 Unique 2.37, 2.76 A)
&rst
ixpk= 4070, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1974,1975,
igr2=1971,1972,
&end
#
# 0 AMB 25-2:4071 130 GLN HB- 2.80 (# 4071:25 Single Ambig)
&rst
ixpk= 4071, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1916,1969,
igr2=1971,1972,
&end
#
# 0 AMB 25-2:4072 0 AMB 25-1:4072 2.80 (# 4072:25 Double Ambig)
&rst
ixpk= 4072, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2070,1969,
igr2=2072,2073,1971,1972,
&end
#
# 130 GLN HN 130 GLN HB- 2.80 (# 4073:25 Unique 2.21, 2.89 A)
&rst
ixpk= 4073, nxpk= 25, iat=1967, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1971,1972,
&end
#
# 130 GLN HN 130 GLN HB+ 2.80 (# 4074:25 Unique 2.21, 2.89 A)
&rst
ixpk= 4074, nxpk= 25, iat=1967, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1971,1972,
&end
#
# 131 LEU HN 130 GLN HB+ 3.50 (# 4075:25 Unique 2.63, 3.28 A)
&rst
ixpk= 4075, nxpk= 25, iat=1984, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1971,1972,
&end
#
# 131 LEU HN 130 GLN HG- 4.50 (# 4078:25 Unique 4.47, 4.90 A)
&rst
ixpk= 4078, nxpk= 25, iat=1984, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1974,1975,
&end
#
# 131 LEU HN 130 GLN HG+ 4.50 (# 4079:25 Unique 4.47, 4.90 A)
&rst
ixpk= 4079, nxpk= 25, iat=1984, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1974,1975,
&end
#
# 129 GLU HN 130 GLN HG+ 5.50 (# 4080:25 Unique 4.29, 5.32 A)
&rst
ixpk= 4080, nxpk= 25, iat=1952, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1974,1975,
&end
#
# 130 GLN HN 130 GLN HG+ 3.50 (# 4081:25 Unique 2.42, 3.20 A)
&rst
ixpk= 4081, nxpk= 25, iat=1967, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1974,1975,
&end
#
# 130 GLN HN 130 GLN HG- 3.50 (# 4082:25 Unique 2.42, 3.20 A)
&rst
ixpk= 4082, nxpk= 25, iat=1967, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1974,1975,
&end
#
# 130 GLN HE2+ 130 GLN HG+ 3.50 (# 4083:25 Unique 2.19, 3.34 A)
&rst
ixpk= 4083, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1979,1980,
igr2=1974,1975,
&end
#
# 130 GLN HE2+ 130 GLN HG- 4.50 (# 4084:25 Unique 2.19, 3.34 A)
&rst
ixpk= 4084, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1979,1980,
igr2=1974,1975,
&end
#
# 130 GLN HE2- 130 GLN HG+ 4.50 (# 4085:25 Unique 2.19, 3.34 A)
&rst
ixpk= 4085, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1979,1980,
igr2=1974,1975,
&end
#
# 130 GLN HE2- 130 GLN HG- 4.50 (# 4086:25 Unique 2.19, 3.34 A)
&rst
ixpk= 4086, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1979,1980,
igr2=1974,1975,
&end
#
# 130 GLN HA 130 GLN HG+ 3.50 (# 4087:25 Unique 2.41, 2.65 A)
&rst
ixpk= 4087, nxpk= 25, iat=1969, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1974,1975,
&end
#
# 130 GLN HA 130 GLN HG- 2.80 (# 4088:25 Unique 2.41, 2.65 A)
&rst
ixpk= 4088, nxpk= 25, iat=1969, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1974,1975,
&end
#
# 130 GLN HB+ 130 GLN HG+ 2.80 (# 4092:25 Unique 2.37, 2.76 A)
&rst
ixpk= 4092, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1971,1972,
igr2=1974,1975,
&end
#
# 130 GLN HB+ 130 GLN HG- 2.80 (# 4093:25 Unique 2.37, 2.76 A)
&rst
ixpk= 4093, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1971,1972,
igr2=1974,1975,
&end
#
# 0 AMB 25-2:4094 0 AMB 25-1:4094 3.50 (# 4094:25 Double Ambig)
&rst
ixpk= 4094, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
igr1=2176,2177,2178,1927,1928,1929,1920,1921,1922,2169,
2170,2171,
igr2=1974,1975,1974,1975,1974,1975,1974,1975,
&end
#
# 0 AMB 25-2:4096 130 GLN HG- 3.50 (# 4096:25 Single Ambig)
&rst
ixpk= 4096, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2176,2177,2178,1927,1928,1929,1920,1921,1922,2169,
2170,2171,
igr2=1974,1975,
&end
#
# 143 ILE QD1 0 AMB 25-1:4097 2.80 (# 4097:25 Single Ambig)
&rst
ixpk= 4097, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2176,2177,2178,
igr2=2124,1986,
&end
#
# 131 LEU HB- 131 LEU HA 2.80 (# 4099:25 Unique 2.40, 2.74 A)
&rst
ixpk= 4099, nxpk= 25, iat= -1,1986, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1988,1989,
&end
#
# 134 ALA MB 131 LEU HA 2.80 (# 4100:25 Unique 2.35, 3.43 A)
&rst
ixpk= 4100, nxpk= 25, iat= -1,1986, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2040,2041,2042,
&end
#
# 0 AMB 25-2:4101 0 AMB 25-1:4101 3.50 (# 4101:25 Double Ambig)
&rst
ixpk= 4101, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1991,2173,2174,
igr2=1986,2124,
&end
#
# 0 AMB 25-2:4102 0 AMB 25-1:4102 2.80 (# 4102:25 Double Ambig)
&rst
ixpk= 4102, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1984,2141,
igr2=1986,2124,
&end
#
# 131 LEU HN 131 LEU HB+ 3.50 (# 4103:25 Unique 2.38, 3.08 A)
&rst
ixpk= 4103, nxpk= 25, iat=1984, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1988,1989,
&end
#
# 132 LEU HN 131 LEU HB+ 3.50 (# 4104:25 Unique 2.14, 2.78 A)
&rst
ixpk= 4104, nxpk= 25, iat=2003, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1988,1989,
&end
#
# 128 LEU HA 131 LEU HB+ 4.50 (# 4105:25 Unique 2.91, 3.88 A)
&rst
ixpk= 4105, nxpk= 25, iat=1935, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1988,1989,
&end
#
# 131 LEU HA 131 LEU HB+ 3.50 (# 4106:25 Unique 2.40, 2.74 A)
&rst
ixpk= 4106, nxpk= 25, iat=1986, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1988,1989,
&end
#
# 131 LEU HG 131 LEU HB+ 2.80 (# 4107:25 Unique 2.57, 2.84 A)
&rst
ixpk= 4107, nxpk= 25, iat=1991, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1988,1989,
&end
#
# 131 LEU MDX 131 LEU HB+ 2.80 (# 4109:25 Unique 2.21, 3.27 A)
&rst
ixpk= 4109, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1993,1994,1995,1997,1998,1999,
igr2=1988,1989,
&end
#
# 131 LEU MDX 131 LEU HB- 2.80 (# 4110:25 Unique 2.21, 3.27 A)
&rst
ixpk= 4110, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1993,1994,1995,1997,1998,1999,
igr2=1988,1989,
&end
#
# 0 AMB 25-2:4111 131 LEU HB- 4.50 (# 4111:25 Single Ambig)
&rst
ixpk= 4111, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=2131,2132,2133,2135,2136,2137,1942,1943,1944,1946,
1947,1948,2012,2013,2014,2016,2017,2018,
igr2=1988,1989,
&end
#
# 131 LEU HG 131 LEU HB- 2.80 (# 4113:25 Unique 2.57, 2.84 A)
&rst
ixpk= 4113, nxpk= 25, iat=1991, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1988,1989,
&end
#
# 131 LEU HA 131 LEU HB- 3.50 (# 4115:25 Unique 2.40, 2.74 A)
&rst
ixpk= 4115, nxpk= 25, iat=1986, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1988,1989,
&end
#
# 128 LEU HA 131 LEU HB- 3.50 (# 4116:25 Unique 2.91, 3.88 A)
&rst
ixpk= 4116, nxpk= 25, iat=1935, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1988,1989,
&end
#
# 132 LEU HN 131 LEU HB- 4.50 (# 4117:25 Unique 2.14, 2.78 A)
&rst
ixpk= 4117, nxpk= 25, iat=2003, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1988,1989,
&end
#
# 131 LEU HN 131 LEU HB- 3.50 (# 4118:25 Unique 2.38, 3.08 A)
&rst
ixpk= 4118, nxpk= 25, iat=1984, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1988,1989,
&end
#
# 104 SER HN 32 LEU MDX 4.50 (# 4123:25 Unique 3.17, 4.51 A)
&rst
ixpk= 4123, nxpk= 25, iat=1600, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 25-2:4124 32 LEU MDX 4.50 (# 4124:25 Single Ambig)
&rst
ixpk= 4124, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1222, 507,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 103 LEU HN 32 LEU MDX 4.50 (# 4125:25 Unique 3.13, 5.07 A)
&rst
ixpk= 4125, nxpk= 25, iat=1581, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 86 GLN HN 84 LEU MDX 4.50 (# 4126:25 Unique 3.12, 5.67 A)
&rst
ixpk= 4126, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 17 SER HN 84 LEU MDX 4.50 (# 4127:25 Unique 3.05, 5.60 A)
&rst
ixpk= 4127, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 79 MET HA 32 LEU MDX 4.50 (# 4129:25 Unique 2.37, 3.89 A)
&rst
ixpk= 4129, nxpk= 25, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 104 SER HB- 32 LEU MDX 4.50 (# 4131:25 Unique 2.16, 4.66 A)
&rst
ixpk= 4131, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1604,1605,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 133 THR HN 132 LEU HA 3.50 (# 4133:25 Unique 3.38, 3.43 A)
&rst
ixpk= 4133, nxpk= 25, iat=2022,2005, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 134 ALA HN 132 LEU HA 5.50 (# 4134:25 Unique 3.73, 3.89 A)
&rst
ixpk= 4134, nxpk= 25, iat=2036,2005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 LYS HE- 132 LEU HA 5.50 (# 4135:25 Unique 3.03, 5.29 A)
&rst
ixpk= 4135, nxpk= 25, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1508,1509,
&end
#
# 132 LEU HB- 132 LEU HA 2.80 (# 4136:25 Unique 2.54, 2.81 A)
&rst
ixpk= 4136, nxpk= 25, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2007,2008,
&end
#
# 0 AMB 25-2:4137 132 LEU HA 2.80 (# 4137:25 Single Ambig)
&rst
ixpk= 4137, nxpk= 25, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2010,1505,1506,
&end
#
# 132 LEU HB+ 132 LEU HA 4.50 (# 4138:25 Unique 2.54, 2.81 A)
&rst
ixpk= 4138, nxpk= 25, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2007,2008,
&end
#
# 132 LEU HN 132 LEU HG 2.80 (# 4140:25 Unique 2.30, 2.44 A)
&rst
ixpk= 4140, nxpk= 25, iat=2003,2010, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 132 LEU HA 132 LEU HG 2.80 (# 4141:25 Unique 2.73, 2.81 A)
&rst
ixpk= 4141, nxpk= 25, iat=2005,2010, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:4142 0 AMB 25-1:4142 2.80 (# 4142:25 Double Ambig)
&rst
ixpk= 4142, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2007,2008,1028,1029,
igr2=2010, 731, 732,
&end
#
# 129 GLU HA 132 LEU MDX 2.80 (# 4143:25 Unique 2.67, 4.91 A)
&rst
ixpk= 4143, nxpk= 25, iat=1954, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2012,2013,2014,2016,2017,2018,
&end
#
# 132 LEU HN 132 LEU MDX 4.50 (# 4144:25 Unique 3.58, 4.45 A)
&rst
ixpk= 4144, nxpk= 25, iat=2003, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2012,2013,2014,2016,2017,2018,
&end
#
# 119 SER HN 118 LEU MDX 4.50 (# 4145:25 Unique 2.09, 4.62 A)
&rst
ixpk= 4145, nxpk= 25, iat=1794, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 115 ILE HA 118 LEU MDX 4.50 (# 4146:25 Unique 2.28, 3.76 A)
&rst
ixpk= 4146, nxpk= 25, iat=1731, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 133 THR HN 133 THR HA 3.50 (# 4147:25 Unique 2.95, 2.96 A)
&rst
ixpk= 4147, nxpk= 25, iat=2022,2024, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 134 ALA HN 133 THR HA 4.50 (# 4148:25 Unique 3.15, 3.22 A)
&rst
ixpk= 4148, nxpk= 25, iat=2036,2024, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 133 THR MG2 133 THR HA 2.80 (# 4149:25 Unique 2.48, 3.13 A)
&rst
ixpk= 4149, nxpk= 25, iat= -1,2024, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2028,2029,2030,
&end
#
# 133 THR MG2 133 THR HB 2.80 (# 4150:25 Unique 2.42, 2.66 A)
&rst
ixpk= 4150, nxpk= 25, iat= -1,2026, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2028,2029,2030,
&end
#
# 134 ALA HN 133 THR HB 5.50 (# 4154:25 Unique 4.36, 4.47 A)
&rst
ixpk= 4154, nxpk= 25, iat=2036,2026, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 133 THR HN 133 THR HB 4.50 (# 4155:25 Unique 3.59, 3.75 A)
&rst
ixpk= 4155, nxpk= 25, iat=2022,2026, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 133 THR HN 133 THR MG2 3.50 (# 4156:25 Unique 2.76, 3.78 A)
&rst
ixpk= 4156, nxpk= 25, iat=2022, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2028,2029,2030,
&end
#
# 132 LEU HN 133 THR MG2 4.50 (# 4157:25 Unique 4.61, 5.71 A)
&rst
ixpk= 4157, nxpk= 25, iat=2003, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2028,2029,2030,
&end
#
# 134 ALA HN 133 THR MG2 4.50 (# 4158:25 Unique 4.88, 5.37 A)
&rst
ixpk= 4158, nxpk= 25, iat=2036, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2028,2029,2030,
&end
#
# 0 AMB 25-2:4160 133 THR MG2 2.80 (# 4160:25 Single Ambig)
&rst
ixpk= 4160, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2026,2024,
igr2=2028,2029,2030,
&end
#
# 129 GLU HA 133 THR MG2 4.50 (# 4161:25 Unique 3.20, 4.53 A)
&rst
ixpk= 4161, nxpk= 25, iat=1954, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2028,2029,2030,
&end
#
# 130 GLN HA 133 THR MG2 4.50 (# 4162:25 Unique 4.51, 5.31 A)
&rst
ixpk= 4162, nxpk= 25, iat=1969, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2028,2029,2030,
&end
#
# 129 GLU HG+ 133 THR MG2 3.50 (# 4163:25 Unique 2.68, 5.26 A)
&rst
ixpk= 4163, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1959,1960,
igr2=2028,2029,2030,
&end
#
# 129 GLU HB- 133 THR MG2 3.50 (# 4164:25 Unique 3.83, 5.37 A)
&rst
ixpk= 4164, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1956,1957,
igr2=2028,2029,2030,
&end
#
# 132 LEU HB- 133 THR MG2 4.50 (# 4165:25 Unique 3.12, 4.47 A)
&rst
ixpk= 4165, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2007,2008,
igr2=2028,2029,2030,
&end
#
# 0 AMB 25-2:4166 133 THR MG2 4.50 (# 4166:25 Single Ambig)
&rst
ixpk= 4166, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
2017,2018,
igr2=2028,2029,2030,
&end
#
# 0 AMB 25-2:4167 134 ALA HA 5.50 (# 4167:25 Single Ambig)
&rst
ixpk= 4167, nxpk= 25, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2176,2177,2178, 215, 216, 217, 219, 220, 221,
&end
#
# 140 LEU MDX 134 ALA HA 4.50 (# 4168:25 Unique 4.99, 6.59 A)
&rst
ixpk= 4168, nxpk= 25, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2131,2132,2133,2135,2136,2137,
&end
#
# 134 ALA MB 134 ALA HA 2.80 (# 4169:25 Unique 2.36, 2.63 A)
&rst
ixpk= 4169, nxpk= 25, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2040,2041,2042,
&end
#
# 139 GLN HB+ 134 ALA HA 4.50 (# 4170:25 Unique 2.46, 3.07 A)
&rst
ixpk= 4170, nxpk= 25, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2109,2110,
&end
#
# 139 GLN HB- 134 ALA HA 4.50 (# 4171:25 Unique 2.46, 3.07 A)
&rst
ixpk= 4171, nxpk= 25, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2109,2110,
&end
#
# 139 GLN HG+ 134 ALA HA 4.50 (# 4172:25 Unique 2.19, 3.69 A)
&rst
ixpk= 4172, nxpk= 25, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2112,2113,
&end
#
# 0 AMB 25-2:4173 134 ALA HA 5.50 (# 4173:25 Single Ambig)
&rst
ixpk= 4173, nxpk= 25, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1986,2050,2051,1969,2124,
&end
#
# 0 AMB 25-2:4174 134 ALA HA 4.50 (# 4174:25 Single Ambig)
&rst
ixpk= 4174, nxpk= 25, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2024,2026,
&end
#
# 135 SER HA 134 ALA HA 4.50 (# 4175:25 Unique 4.43, 4.48 A)
&rst
ixpk= 4175, nxpk= 25, iat=2048,2038, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 134 ALA HN 134 ALA HA 2.80 (# 4177:25 Unique 2.80, 2.84 A)
&rst
ixpk= 4177, nxpk= 25, iat=2036,2038, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 136 SER HN 134 ALA HA 3.50 (# 4178:25 Unique 3.04, 3.45 A)
&rst
ixpk= 4178, nxpk= 25, iat=2057,2038, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 133 THR HN 134 ALA HA 5.50 (# 4179:25 Unique 4.30, 4.48 A)
&rst
ixpk= 4179, nxpk= 25, iat=2022,2038, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 135 SER HN 134 ALA HA 2.80 (# 4180:25 Unique 2.14, 2.19 A)
&rst
ixpk= 4180, nxpk= 25, iat=2046,2038, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:4181 134 ALA MB 3.50 (# 4181:25 Single Ambig)
&rst
ixpk= 4181, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1270,1271,2173,2174,1991,
igr2=2040,2041,2042,
&end
#
# 135 SER HN 135 SER HA 3.50 (# 4182:25 Unique 2.80, 2.91 A)
&rst
ixpk= 4182, nxpk= 25, iat=2046,2048, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 137 GLU HN 137 GLU HA 3.50 (# 4183:25 Unique 2.75, 2.80 A)
&rst
ixpk= 4183, nxpk= 25, iat=2068,2070, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 141 ALA HN 137 GLU HA 4.50 (# 4184:25 Unique 4.10, 4.37 A)
&rst
ixpk= 4184, nxpk= 25, iat=2141,2070, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 138 LYS HN 137 GLU HA 4.50 (# 4185:25 Unique 3.43, 3.54 A)
&rst
ixpk= 4185, nxpk= 25, iat=2083,2070, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 140 LEU HN 137 GLU HA 4.50 (# 4186:25 Unique 3.21, 3.39 A)
&rst
ixpk= 4186, nxpk= 25, iat=2122,2070, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 137 GLU HB- 137 GLU HA 2.80 (# 4188:25 Unique 2.40, 2.78 A)
&rst
ixpk= 4188, nxpk= 25, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2072,2073,
&end
#
# 137 GLU HB+ 137 GLU HA 2.80 (# 4189:25 Unique 2.40, 2.78 A)
&rst
ixpk= 4189, nxpk= 25, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2072,2073,
&end
#
# 140 LEU HB+ 137 GLU HA 3.50 (# 4191:25 Unique 2.74, 4.05 A)
&rst
ixpk= 4191, nxpk= 25, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2126,2127,
&end
#
# 140 LEU HG 137 GLU HA 4.50 (# 4192:25 Unique 3.15, 4.00 A)
&rst
ixpk= 4192, nxpk= 25, iat=2129,2070, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:4193 137 GLU HA 4.50 (# 4193:25 Single Ambig)
&rst
ixpk= 4193, nxpk= 25, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2040,2041,2042,2145,2146,2147,2090,2091,
&end
#
# 140 LEU HB- 137 GLU HA 3.50 (# 4194:25 Unique 2.74, 4.05 A)
&rst
ixpk= 4194, nxpk= 25, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2126,2127,
&end
#
# 12 ILE QG2 137 GLU HA 2.80 (# 4195:25 Unique 2.34, 3.19 A)
&rst
ixpk= 4195, nxpk= 25, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 185, 186, 187,
&end
#
# 0 AMB 25-2:4196 137 GLU HA 3.50 (# 4196:25 Single Ambig)
&rst
ixpk= 4196, nxpk= 25, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 215, 216, 217, 219, 220, 221,2131,2132,2133,2135,
2136,2137,
&end
#
# 136 SER HN 135 SER HA 4.50 (# 4197:25 Unique 3.13, 3.41 A)
&rst
ixpk= 4197, nxpk= 25, iat=2057,2048, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:4199 135 SER HA 4.50 (# 4199:25 Single Ambig)
&rst
ixpk= 4199, nxpk= 25, iat= -1,2048, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2038,2061,2062,
&end
#
# 135 SER HB+ 135 SER HA 2.80 (# 4200:25 Unique 2.33, 2.71 A)
&rst
ixpk= 4200, nxpk= 25, iat= -1,2048, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2050,2051,
&end
#
# 135 SER HB- 135 SER HA 2.80 (# 4201:25 Unique 2.33, 2.71 A)
&rst
ixpk= 4201, nxpk= 25, iat= -1,2048, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2050,2051,
&end
#
# 84 LEU HG 17 SER HA 4.50 (# 4203:25 Unique 2.74, 3.98 A)
&rst
ixpk= 4203, nxpk= 25, iat=1292, 263, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 134 ALA MB 135 SER HB+ 5.50 (# 4205:25 Unique 5.53, 6.79 A)
&rst
ixpk= 4205, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2040,2041,2042,
igr2=2050,2051,
&end
#
# 134 ALA HA 135 SER HB+ 4.50 (# 4209:25 Unique 4.52, 5.16 A)
&rst
ixpk= 4209, nxpk= 25, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2050,2051,
&end
#
# 134 ALA HA 135 SER HB- 4.50 (# 4210:25 Unique 4.52, 5.16 A)
&rst
ixpk= 4210, nxpk= 25, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2050,2051,
&end
#
# 135 SER HA 135 SER HB+ 2.80 (# 4211:25 Unique 2.33, 2.71 A)
&rst
ixpk= 4211, nxpk= 25, iat=2048, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2050,2051,
&end
#
# 0 AMB 25-2:4212 0 AMB 25-1:4212 2.80 (# 4212:25 Double Ambig)
&rst
ixpk= 4212, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 263,2048,
igr2= 265, 266,2050,2051,
&end
#
# 136 SER HN 135 SER HB+ 5.50 (# 4215:25 Unique 2.95, 3.92 A)
&rst
ixpk= 4215, nxpk= 25, iat=2057, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2050,2051,
&end
#
# 135 SER HN 135 SER HB+ 4.50 (# 4216:25 Unique 2.42, 3.13 A)
&rst
ixpk= 4216, nxpk= 25, iat=2046, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2050,2051,
&end
#
# 135 SER HN 135 SER HB- 4.50 (# 4217:25 Unique 2.42, 3.13 A)
&rst
ixpk= 4217, nxpk= 25, iat=2046, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2050,2051,
&end
#
# 14 VAL MGY 136 SER HB+ 5.50 (# 4224:25 Unique 4.87, 6.76 A)
&rst
ixpk= 4224, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 215, 216, 217, 219, 220, 221,
igr2=2061,2062,
&end
#
# 138 LYS HB+ 136 SER HB+ 5.50 (# 4226:25 Unique 2.71, 4.14 A)
&rst
ixpk= 4226, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2087,2088,
igr2=2061,2062,
&end
#
# 138 LYS HB- 136 SER HB+ 5.50 (# 4227:25 Unique 2.71, 4.14 A)
&rst
ixpk= 4227, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2087,2088,
igr2=2061,2062,
&end
#
# 138 LYS HB+ 136 SER HB- 5.50 (# 4228:25 Unique 2.71, 4.14 A)
&rst
ixpk= 4228, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2087,2088,
igr2=2061,2062,
&end
#
# 138 LYS HB- 136 SER HB- 5.50 (# 4229:25 Unique 2.71, 4.14 A)
&rst
ixpk= 4229, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2087,2088,
igr2=2061,2062,
&end
#
# 0 AMB 25-2:4230 0 AMB 25-1:4230 5.50 (# 4230:25 Double Ambig)
&rst
ixpk= 4230, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2109,2110,2072,2073,
igr2=2061,2062,2061,2062,
&end
#
# 0 AMB 25-2:4232 0 AMB 25-1:4232 5.50 (# 4232:25 Double Ambig)
&rst
ixpk= 4232, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2112,2113,2075,2076,
igr2=2061,2062,2061,2062,
&end
#
# 0 AMB 25-2:4233 136 SER HB- 5.50 (# 4233:25 Single Ambig)
&rst
ixpk= 4233, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2112,2113,2075,2076,
igr2=2061,2062,
&end
#
# 136 SER HN 136 SER HB+ 4.50 (# 4239:25 Unique 2.67, 3.40 A)
&rst
ixpk= 4239, nxpk= 25, iat=2057, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2061,2062,
&end
#
# 136 SER HN 136 SER HB- 4.50 (# 4240:25 Unique 2.67, 3.40 A)
&rst
ixpk= 4240, nxpk= 25, iat=2057, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2061,2062,
&end
#
# 138 LYS HN 136 SER HB+ 4.50 (# 4241:25 Unique 2.40, 3.13 A)
&rst
ixpk= 4241, nxpk= 25, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2061,2062,
&end
#
# 138 LYS HN 136 SER HB- 4.50 (# 4242:25 Unique 2.40, 3.13 A)
&rst
ixpk= 4242, nxpk= 25, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2061,2062,
&end
#
# 137 GLU HN 136 SER HB+ 3.50 (# 4243:25 Unique 2.58, 3.31 A)
&rst
ixpk= 4243, nxpk= 25, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2061,2062,
&end
#
# 137 GLU HN 136 SER HB- 4.50 (# 4244:25 Unique 2.58, 3.31 A)
&rst
ixpk= 4244, nxpk= 25, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2061,2062,
&end
#
# 139 GLN HN 137 GLU HA 5.50 (# 4245:25 Unique 4.09, 4.25 A)
&rst
ixpk= 4245, nxpk= 25, iat=2105,2070, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:4246 137 GLU HA 4.50 (# 4246:25 Single Ambig)
&rst
ixpk= 4246, nxpk= 25, iat= -1,2070, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 200, 211,
&end
#
# 14 VAL MGY 137 GLU HB- 3.50 (# 4247:25 Unique 2.84, 6.30 A)
&rst
ixpk= 4247, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 215, 216, 217, 219, 220, 221,
igr2=2072,2073,
&end
#
# 14 VAL MGY 137 GLU HB+ 3.50 (# 4248:25 Unique 2.84, 6.30 A)
&rst
ixpk= 4248, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 215, 216, 217, 219, 220, 221,
igr2=2072,2073,
&end
#
# 137 GLU HA 137 GLU HB- 2.80 (# 4249:25 Unique 2.40, 2.78 A)
&rst
ixpk= 4249, nxpk= 25, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2072,2073,
&end
#
# 137 GLU HA 137 GLU HB+ 2.80 (# 4250:25 Unique 2.40, 2.78 A)
&rst
ixpk= 4250, nxpk= 25, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2072,2073,
&end
#
# 13 SER HA 137 GLU HB- 4.50 (# 4252:25 Unique 3.55, 4.29 A)
&rst
ixpk= 4252, nxpk= 25, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2072,2073,
&end
#
# 13 SER HA 137 GLU HB+ 3.50 (# 4254:25 Unique 3.55, 4.29 A)
&rst
ixpk= 4254, nxpk= 25, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2072,2073,
&end
#
# 138 LYS HN 137 GLU HB- 3.50 (# 4255:25 Unique 2.61, 3.34 A)
&rst
ixpk= 4255, nxpk= 25, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2072,2073,
&end
#
# 138 LYS HN 137 GLU HB+ 3.50 (# 4256:25 Unique 2.61, 3.34 A)
&rst
ixpk= 4256, nxpk= 25, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2072,2073,
&end
#
# 137 GLU HN 137 GLU HB- 3.50 (# 4257:25 Unique 2.13, 2.87 A)
&rst
ixpk= 4257, nxpk= 25, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2072,2073,
&end
#
# 137 GLU HN 137 GLU HB+ 3.50 (# 4258:25 Unique 2.13, 2.87 A)
&rst
ixpk= 4258, nxpk= 25, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2072,2073,
&end
#
# 137 GLU HN 137 GLU HG+ 4.50 (# 4259:25 Unique 2.09, 3.50 A)
&rst
ixpk= 4259, nxpk= 25, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2075,2076,
&end
#
# 137 GLU HN 137 GLU HG- 4.50 (# 4260:25 Unique 2.09, 3.50 A)
&rst
ixpk= 4260, nxpk= 25, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2075,2076,
&end
#
# 14 VAL HN 137 GLU HG+ 3.50 (# 4261:25 Unique 2.33, 3.25 A)
&rst
ixpk= 4261, nxpk= 25, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2075,2076,
&end
#
# 14 VAL HN 137 GLU HG- 3.50 (# 4262:25 Unique 2.33, 3.25 A)
&rst
ixpk= 4262, nxpk= 25, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2075,2076,
&end
#
# 138 LYS HN 137 GLU HG- 4.50 (# 4264:25 Unique 3.97, 4.92 A)
&rst
ixpk= 4264, nxpk= 25, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2075,2076,
&end
#
# 13 SER HA 137 GLU HG+ 3.50 (# 4265:25 Unique 2.15, 2.75 A)
&rst
ixpk= 4265, nxpk= 25, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2075,2076,
&end
#
# 13 SER HA 137 GLU HG- 3.50 (# 4266:25 Unique 2.15, 2.75 A)
&rst
ixpk= 4266, nxpk= 25, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2075,2076,
&end
#
# 137 GLU HA 137 GLU HG- 2.80 (# 4268:25 Unique 2.39, 2.96 A)
&rst
ixpk= 4268, nxpk= 25, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2075,2076,
&end
#
# 14 VAL MGY 137 GLU HG- 3.50 (# 4270:25 Unique 2.20, 5.41 A)
&rst
ixpk= 4270, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 215, 216, 217, 219, 220, 221,
igr2=2075,2076,
&end
#
# 12 ILE QG2 137 GLU HG- 2.80 (# 4272:25 Unique 2.08, 3.69 A)
&rst
ixpk= 4272, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 185, 186, 187,
igr2=2075,2076,
&end
#
# 138 LYS HN 138 LYS HA 2.80 (# 4274:25 Unique 2.75, 2.80 A)
&rst
ixpk= 4274, nxpk= 25, iat=2083,2085, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 139 GLN HN 138 LYS HA 3.50 (# 4275:25 Unique 3.56, 3.59 A)
&rst
ixpk= 4275, nxpk= 25, iat=2105,2085, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 138 LYS HG- 138 LYS HB- 2.80 (# 4276:25 Unique 2.26, 2.62 A)
&rst
ixpk= 4276, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2090,2091,
igr2=2087,2088,
&end
#
# 138 LYS HG- 138 LYS HB+ 2.80 (# 4277:25 Unique 2.26, 2.62 A)
&rst
ixpk= 4277, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2090,2091,
igr2=2087,2088,
&end
#
# 138 LYS HA 138 LYS HB- 2.80 (# 4278:25 Unique 2.43, 2.77 A)
&rst
ixpk= 4278, nxpk= 25, iat=2085, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2087,2088,
&end
#
# 138 LYS HA 138 LYS HB+ 2.80 (# 4279:25 Unique 2.43, 2.77 A)
&rst
ixpk= 4279, nxpk= 25, iat=2085, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2087,2088,
&end
#
# 139 GLN HN 138 LYS HB- 4.50 (# 4282:25 Unique 2.60, 3.39 A)
&rst
ixpk= 4282, nxpk= 25, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2087,2088,
&end
#
# 139 GLN HN 138 LYS HB+ 4.50 (# 4283:25 Unique 2.60, 3.39 A)
&rst
ixpk= 4283, nxpk= 25, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2087,2088,
&end
#
# 138 LYS HN 138 LYS HB- 3.50 (# 4284:25 Unique 2.28, 2.79 A)
&rst
ixpk= 4284, nxpk= 25, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2087,2088,
&end
#
# 138 LYS HN 138 LYS HB+ 3.50 (# 4285:25 Unique 2.28, 2.79 A)
&rst
ixpk= 4285, nxpk= 25, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2087,2088,
&end
#
# 0 AMB 25-2:4286 0 AMB 25-1:4286 2.80 (# 4286:25 Double Ambig)
&rst
ixpk= 4286, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1508,1509,2096,2097,
igr2=1505,1506,2093,2094,
&end
#
# 138 LYS HE+ 138 LYS HD+ 2.80 (# 4287:25 Unique 2.37, 2.73 A)
&rst
ixpk= 4287, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2096,2097,
igr2=2093,2094,
&end
#
# 138 LYS HA 138 LYS HD- 3.50 (# 4288:25 Unique 2.25, 3.09 A)
&rst
ixpk= 4288, nxpk= 25, iat=2085, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2093,2094,
&end
#
# 138 LYS HA 138 LYS HD+ 4.50 (# 4289:25 Unique 2.25, 3.09 A)
&rst
ixpk= 4289, nxpk= 25, iat=2085, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2093,2094,
&end
#
# 138 LYS HG- 138 LYS HE+ 2.80 (# 4290:25 Unique 2.40, 3.00 A)
&rst
ixpk= 4290, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2090,2091,
igr2=2096,2097,
&end
#
# 138 LYS HD+ 138 LYS HE+ 2.80 (# 4291:25 Unique 2.37, 2.73 A)
&rst
ixpk= 4291, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2093,2094,
igr2=2096,2097,
&end
#
# 0 AMB 25-2:4292 0 AMB 25-1:4292 2.80 (# 4292:25 Double Ambig)
&rst
ixpk= 4292, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2087,2088,2093,2094,
igr2=2096,2097,2096,2097,
&end
#
# 142 ASP HB+ 139 GLN HA 2.80 (# 4293:25 Unique 2.12, 2.99 A)
&rst
ixpk= 4293, nxpk= 25, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2155,2156,
&end
#
# 139 GLN HN 139 GLN HA 2.80 (# 4295:25 Unique 2.80, 2.85 A)
&rst
ixpk= 4295, nxpk= 25, iat=2105,2107, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:4296 139 GLN HA 3.50 (# 4296:25 Single Ambig)
&rst
ixpk= 4296, nxpk= 25, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2151,2141,
&end
#
# 139 GLN HN 139 GLN HB- 2.80 (# 4297:25 Unique 2.14, 2.89 A)
&rst
ixpk= 4297, nxpk= 25, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2109,2110,
&end
#
# 139 GLN HN 139 GLN HB+ 2.80 (# 4298:25 Unique 2.14, 2.89 A)
&rst
ixpk= 4298, nxpk= 25, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2109,2110,
&end
#
# 134 ALA MB 139 GLN HB- 2.80 (# 4299:25 Unique 2.15, 3.12 A)
&rst
ixpk= 4299, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2040,2041,2042,
igr2=2109,2110,
&end
#
# 134 ALA MB 139 GLN HG+ 3.50 (# 4300:25 Unique 2.94, 4.93 A)
&rst
ixpk= 4300, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2040,2041,2042,
igr2=2112,2113,
&end
#
# 139 GLN HB+ 139 GLN HG+ 2.80 (# 4301:25 Unique 2.24, 2.66 A)
&rst
ixpk= 4301, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2109,2110,
igr2=2112,2113,
&end
#
# 139 GLN HA 139 GLN HG+ 3.50 (# 4302:25 Unique 2.33, 2.80 A)
&rst
ixpk= 4302, nxpk= 25, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2112,2113,
&end
#
# 139 GLN HN 139 GLN HG+ 3.50 (# 4304:25 Unique 2.87, 3.49 A)
&rst
ixpk= 4304, nxpk= 25, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2112,2113,
&end
#
# 140 LEU HN 139 GLN HG+ 4.50 (# 4305:25 Unique 4.69, 4.99 A)
&rst
ixpk= 4305, nxpk= 25, iat=2122, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2112,2113,
&end
#
# 140 LEU HN 140 LEU HA 3.50 (# 4306:25 Unique 2.82, 2.86 A)
&rst
ixpk= 4306, nxpk= 25, iat=2122,2124, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 140 LEU HB- 140 LEU HA 2.80 (# 4310:25 Unique 2.42, 2.77 A)
&rst
ixpk= 4310, nxpk= 25, iat= -1,2124, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2126,2127,
&end
#
# 0 AMB 25-2:4313 140 LEU HB- 2.80 (# 4313:25 Single Ambig)
&rst
ixpk= 4313, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 185, 186, 187,1242,1243,1244,1246,1247,1248,
igr2=2126,2127,
&end
#
# 140 LEU MDY 140 LEU HB- 2.80 (# 4314:25 Unique 2.33, 3.34 A)
&rst
ixpk= 4314, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2131,2132,2133,2135,2136,2137,
igr2=2126,2127,
&end
#
# 0 AMB 25-2:4315 140 LEU HB- 3.50 (# 4315:25 Single Ambig)
&rst
ixpk= 4315, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2129,1237,1238,
igr2=2126,2127,
&end
#
# 140 LEU HA 140 LEU HB- 2.80 (# 4317:25 Unique 2.42, 2.77 A)
&rst
ixpk= 4317, nxpk= 25, iat=2124, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2126,2127,
&end
#
# 140 LEU HN 140 LEU HB- 3.50 (# 4318:25 Unique 2.29, 3.02 A)
&rst
ixpk= 4318, nxpk= 25, iat=2122, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2126,2127,
&end
#
# 141 ALA HN 140 LEU HB- 3.50 (# 4319:25 Unique 2.48, 3.06 A)
&rst
ixpk= 4319, nxpk= 25, iat=2141, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2126,2127,
&end
#
# 141 ALA HN 140 LEU HB+ 3.50 (# 4320:25 Unique 2.48, 3.06 A)
&rst
ixpk= 4320, nxpk= 25, iat=2141, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2126,2127,
&end
#
# 0 AMB 25-2:4321 140 LEU HG 2.80 (# 4321:25 Single Ambig)
&rst
ixpk= 4321, nxpk= 25, iat= -1,2129, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2131,2132,2133,2135,2136,2137, 215, 216, 217, 219,
220, 221,
&end
#
# 99 LEU MDX 140 LEU HG 4.50 (# 4322:25 Unique 4.86, 6.77 A)
&rst
ixpk= 4322, nxpk= 25, iat= -1,2129, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1526,1527,1528,1530,1531,1532,
&end
#
# 0 AMB 25-2:4323 0 AMB 25-1:4323 2.80 (# 4323:25 Double Ambig)
&rst
ixpk= 4323, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2124,1463,1464,1986,
igr2=2129,1466,1467,
&end
#
# 96 PRO HD+ 96 PRO HG- 3.50 (# 4324:25 Unique 2.29, 2.60 A)
&rst
ixpk= 4324, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1463,1464,
igr2=1466,1467,
&end
#
# 140 LEU HN 140 LEU MDX 3.50 (# 4325:25 Unique 1.80, 4.28 A)
&rst
ixpk= 4325, nxpk= 25, iat=2122, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2131,2132,2133,2135,2136,2137,
&end
#
# 144 ILE QD1 141 ALA HA 4.50 (# 4328:25 Unique 4.24, 5.21 A)
&rst
ixpk= 4328, nxpk= 25, iat= -1,2143, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2195,2196,2197,
&end
#
# 12 ILE QD1 141 ALA HA 2.80 (# 4329:25 Unique 2.29, 3.04 A)
&rst
ixpk= 4329, nxpk= 25, iat= -1,2143, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 192, 193, 194,
&end
#
# 0 AMB 25-2:4330 141 ALA HA 4.50 (# 4330:25 Single Ambig)
&rst
ixpk= 4330, nxpk= 25, iat= -1,2143, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 185, 186, 187,1242,1243,1244,1246,1247,1248,
&end
#
# 144 ILE HB 141 ALA HA 2.80 (# 4331:25 Unique 2.14, 2.46 A)
&rst
ixpk= 4331, nxpk= 25, iat=2186,2143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 140 LEU HN 141 ALA HA 5.50 (# 4332:25 Unique 5.16, 5.30 A)
&rst
ixpk= 4332, nxpk= 25, iat=2122,2143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 144 ILE HN 141 ALA HA 4.50 (# 4333:25 Unique 2.85, 3.25 A)
&rst
ixpk= 4333, nxpk= 25, iat=2182,2143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:4334 141 ALA HA 2.80 (# 4334:25 Single Ambig)
&rst
ixpk= 4334, nxpk= 25, iat= -1,2143, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2141,2151,
&end
#
# 0 AMB 25-2:4335 0 AMB 25-1:4335 4.50 (# 4335:25 Double Ambig)
&rst
ixpk= 4335, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2122, 108,
igr2=2145,2146,2147,1769,1770,1771,
&end
#
# 141 ALA HA 141 ALA MB 2.80 (# 4336:25 Unique 2.40, 2.65 A)
&rst
ixpk= 4336, nxpk= 25, iat=2143, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2145,2146,2147,
&end
#
# 142 ASP HB+ 141 ALA MB 5.50 (# 4337:25 Unique 4.49, 5.73 A)
&rst
ixpk= 4337, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2155,2156,
igr2=2145,2146,2147,
&end
#
# 12 ILE QD1 141 ALA MB 2.80 (# 4338:25 Unique 2.19, 4.08 A)
&rst
ixpk= 4338, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 192, 193, 194,
igr2=2145,2146,2147,
&end
#
# 144 ILE QD1 141 ALA MB 5.50 (# 4339:25 Unique 6.05, 7.64 A)
&rst
ixpk= 4339, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2195,2196,2197,
igr2=2145,2146,2147,
&end
#
# 142 ASP HN 142 ASP HA 2.80 (# 4340:25 Unique 2.83, 2.85 A)
&rst
ixpk= 4340, nxpk= 25, iat=2151,2153, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 143 ILE HN 142 ASP HA 4.50 (# 4341:25 Unique 3.57, 3.60 A)
&rst
ixpk= 4341, nxpk= 25, iat=2163,2153, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 145 SER HB+ 142 ASP HA 3.50 (# 4342:25 Unique 2.31, 3.42 A)
&rst
ixpk= 4342, nxpk= 25, iat= -1,2153, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2205,2206,
&end
#
# 142 ASP HB+ 142 ASP HA 2.80 (# 4343:25 Unique 2.33, 2.73 A)
&rst
ixpk= 4343, nxpk= 25, iat= -1,2153, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2155,2156,
&end
#
# 142 ASP HB- 142 ASP HA 2.80 (# 4344:25 Unique 2.33, 2.73 A)
&rst
ixpk= 4344, nxpk= 25, iat= -1,2153, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2155,2156,
&end
#
# 0 AMB 25-2:4345 142 ASP HA 4.50 (# 4345:25 Single Ambig)
&rst
ixpk= 4345, nxpk= 25, iat= -1,2153, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=2145,2146,2147,2090,2091,
&end
#
# 0 AMB 25-2:4346 0 AMB 25-1:4346 5.50 (# 4346:25 Double Ambig)
&rst
ixpk= 4346, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2176,2177,2178,2169,2170,2171,
igr2=2155,2156,2155,2156,
&end
#
# 0 AMB 25-2:4347 142 ASP HB- 5.50 (# 4347:25 Single Ambig)
&rst
ixpk= 4347, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2176,2177,2178,2169,2170,2171,
igr2=2155,2156,
&end
#
# 0 AMB 25-2:4350 0 AMB 25-1:4350 4.50 (# 4350:25 Double Ambig)
&rst
ixpk= 4350, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2090,2091,2145,2146,2147,
igr2=2155,2156,2155,2156,
&end
#
# 0 AMB 25-2:4351 142 ASP HB- 4.50 (# 4351:25 Single Ambig)
&rst
ixpk= 4351, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2090,2091,2145,2146,2147,
igr2=2155,2156,
&end
#
# 0 AMB 25-2:4352 0 AMB 25-1:4352 3.50 (# 4352:25 Double Ambig)
&rst
ixpk= 4352, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2173,2174,2087,2088,
igr2=2155,2156,2155,2156,
&end
#
# 0 AMB 25-2:4353 142 ASP HB- 3.50 (# 4353:25 Single Ambig)
&rst
ixpk= 4353, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2173,2174,2087,2088,
igr2=2155,2156,
&end
#
# 139 GLN HB+ 142 ASP HB- 5.50 (# 4354:25 Unique 4.15, 5.62 A)
&rst
ixpk= 4354, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2109,2110,
igr2=2155,2156,
&end
#
# 139 GLN HB- 142 ASP HB- 5.50 (# 4355:25 Unique 4.15, 5.62 A)
&rst
ixpk= 4355, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2109,2110,
igr2=2155,2156,
&end
#
# 143 ILE HA 142 ASP HB+ 5.50 (# 4356:25 Unique 4.31, 5.06 A)
&rst
ixpk= 4356, nxpk= 25, iat=2165, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2155,2156,
&end
#
# 143 ILE HA 142 ASP HB- 5.50 (# 4357:25 Unique 4.31, 5.06 A)
&rst
ixpk= 4357, nxpk= 25, iat=2165, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2155,2156,
&end
#
# 139 GLN HA 142 ASP HB+ 3.50 (# 4358:25 Unique 2.12, 2.99 A)
&rst
ixpk= 4358, nxpk= 25, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2155,2156,
&end
#
# 139 GLN HA 142 ASP HB- 3.50 (# 4359:25 Unique 2.12, 2.99 A)
&rst
ixpk= 4359, nxpk= 25, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2155,2156,
&end
#
# 142 ASP HA 142 ASP HB+ 2.80 (# 4360:25 Unique 2.33, 2.73 A)
&rst
ixpk= 4360, nxpk= 25, iat=2153, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2155,2156,
&end
#
# 142 ASP HA 142 ASP HB- 2.80 (# 4361:25 Unique 2.33, 2.73 A)
&rst
ixpk= 4361, nxpk= 25, iat=2153, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2155,2156,
&end
#
# 143 ILE HN 142 ASP HB+ 2.80 (# 4362:25 Unique 2.56, 3.32 A)
&rst
ixpk= 4362, nxpk= 25, iat=2163, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2155,2156,
&end
#
# 143 ILE HN 142 ASP HB- 3.50 (# 4363:25 Unique 2.56, 3.32 A)
&rst
ixpk= 4363, nxpk= 25, iat=2163, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2155,2156,
&end
#
# 142 ASP HN 142 ASP HB+ 2.80 (# 4364:25 Unique 2.24, 2.54 A)
&rst
ixpk= 4364, nxpk= 25, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2155,2156,
&end
#
# 142 ASP HN 142 ASP HB- 2.80 (# 4365:25 Unique 2.24, 2.54 A)
&rst
ixpk= 4365, nxpk= 25, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2155,2156,
&end
#
# 0 AMB 25-2:4366 143 ILE HA 5.50 (# 4366:25 Single Ambig)
&rst
ixpk= 4366, nxpk= 25, iat= -1,2165, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2151,1984,2141,
&end
#
# 145 SER HN 143 ILE HA 5.50 (# 4367:25 Unique 4.10, 4.30 A)
&rst
ixpk= 4367, nxpk= 25, iat=2201,2165, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 144 ILE HN 143 ILE HA 3.50 (# 4368:25 Unique 3.54, 3.57 A)
&rst
ixpk= 4368, nxpk= 25, iat=2182,2165, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 146 ARG HN 143 ILE HA 4.50 (# 4369:25 Unique 3.11, 3.44 A)
&rst
ixpk= 4369, nxpk= 25, iat=2212,2165, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 143 ILE HN 143 ILE HA 3.50 (# 4370:25 Unique 2.79, 2.83 A)
&rst
ixpk= 4370, nxpk= 25, iat=2163,2165, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 142 ASP HA 143 ILE HA 5.50 (# 4371:25 Unique 4.76, 4.81 A)
&rst
ixpk= 4371, nxpk= 25, iat=2153,2165, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 146 ARG HD+ 143 ILE HA 4.50 (# 4372:25 Unique 2.57, 4.02 A)
&rst
ixpk= 4372, nxpk= 25, iat= -1,2165, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2222,2223,
&end
#
# 142 ASP HB+ 143 ILE HA 5.50 (# 4373:25 Unique 4.31, 5.06 A)
&rst
ixpk= 4373, nxpk= 25, iat= -1,2165, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2155,2156,
&end
#
# 142 ASP HB- 143 ILE HA 5.50 (# 4374:25 Unique 4.31, 5.06 A)
&rst
ixpk= 4374, nxpk= 25, iat= -1,2165, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2155,2156,
&end
#
# 0 AMB 25-2:4375 143 ILE HA 2.80 (# 4375:25 Single Ambig)
&rst
ixpk= 4375, nxpk= 25, iat= -1,2165, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2219,2220,2173,2174,
&end
#
# 143 ILE HG1- 143 ILE HA 2.80 (# 4376:25 Unique 2.53, 2.68 A)
&rst
ixpk= 4376, nxpk= 25, iat= -1,2165, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2173,2174,
&end
#
# 143 ILE QG2 143 ILE HA 2.80 (# 4377:25 Unique 2.58, 3.25 A)
&rst
ixpk= 4377, nxpk= 25, iat= -1,2165, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2169,2170,2171,
&end
#
# 0 AMB 25-2:4378 143 ILE HB 4.50 (# 4378:25 Single Ambig)
&rst
ixpk= 4378, nxpk= 25, iat= -1,2167, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2151,2141,1984,
&end
#
# 143 ILE HN 143 ILE HB 2.80 (# 4380:25 Unique 2.18, 2.21 A)
&rst
ixpk= 4380, nxpk= 25, iat=2163,2167, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 144 ILE HN 143 ILE HB 2.80 (# 4381:25 Unique 2.74, 2.84 A)
&rst
ixpk= 4381, nxpk= 25, iat=2182,2167, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 143 ILE HA 143 ILE HB 3.50 (# 4382:25 Unique 3.02, 3.03 A)
&rst
ixpk= 4382, nxpk= 25, iat=2165,2167, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:4383 143 ILE HB 2.80 (# 4383:25 Single Ambig)
&rst
ixpk= 4383, nxpk= 25, iat= -1,2167, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2169,2170,2171,2176,2177,2178,
&end
#
# 0 AMB 25-2:4384 0 AMB 25-1:4384 2.80 (# 4384:25 Double Ambig)
&rst
ixpk= 4384, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2176,2177,2178,2169,2170,2171,
igr2=2173,2174,2173,2174,
&end
#
# 143 ILE HA 143 ILE HG1+ 2.80 (# 4386:25 Unique 2.53, 2.68 A)
&rst
ixpk= 4386, nxpk= 25, iat=2165, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2173,2174,
&end
#
# 0 AMB 25-2:4388 0 AMB 25-1:4388 5.50 (# 4388:25 Double Ambig)
&rst
ixpk= 4388, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2151,1984,
igr2=2173,2174,2173,2174,
&end
#
# 143 ILE HN 143 ILE HG1- 3.50 (# 4389:25 Unique 2.25, 2.97 A)
&rst
ixpk= 4389, nxpk= 25, iat=2163, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2173,2174,
&end
#
# 0 AMB 25-2:4391 143 ILE QD1 2.80 (# 4391:25 Single Ambig)
&rst
ixpk= 4391, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1971,1972,2109,2110,
igr2=2176,2177,2178,
&end
#
# 130 GLN HB- 143 ILE QD1 3.50 (# 4393:25 Unique 2.16, 3.21 A)
&rst
ixpk= 4393, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1971,1972,
igr2=2176,2177,2178,
&end
#
# 143 ILE HA 143 ILE QD1 4.50 (# 4394:25 Unique 4.56, 4.66 A)
&rst
ixpk= 4394, nxpk= 25, iat=2165, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2176,2177,2178,
&end
#
# 0 AMB 25-2:4395 143 ILE QD1 2.80 (# 4395:25 Single Ambig)
&rst
ixpk= 4395, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2124,1986,
igr2=2176,2177,2178,
&end
#
# 143 ILE HN 143 ILE QD1 3.50 (# 4396:25 Unique 3.39, 4.12 A)
&rst
ixpk= 4396, nxpk= 25, iat=2163, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2176,2177,2178,
&end
#
# 143 ILE HN 143 ILE QD1 3.50 (# 4397:25 Unique 3.39, 4.12 A)
&rst
ixpk= 4397, nxpk= 25, iat=2163, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2176,2177,2178,
&end
#
# 131 LEU HN 143 ILE QD1 4.50 (# 4398:25 Unique 2.97, 3.86 A)
&rst
ixpk= 4398, nxpk= 25, iat=1984, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2176,2177,2178,
&end
#
# 144 ILE HN 143 ILE QG2 3.50 (# 4400:25 Unique 3.47, 4.34 A)
&rst
ixpk= 4400, nxpk= 25, iat=2182, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2169,2170,2171,
&end
#
# 143 ILE HA 143 ILE QG2 2.80 (# 4401:25 Unique 2.58, 3.25 A)
&rst
ixpk= 4401, nxpk= 25, iat=2165, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2169,2170,2171,
&end
#
# 0 AMB 25-2:4402 0 AMB 25-1:4402 2.80 (# 4402:25 Double Ambig)
&rst
ixpk= 4402, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 723,1916,
igr2= 727, 728, 729,1920,1921,1922,
&end
#
# 146 ARG HD+ 143 ILE QG2 5.50 (# 4403:25 Unique 3.00, 5.64 A)
&rst
ixpk= 4403, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2222,2223,
igr2=2169,2170,2171,
&end
#
# 144 ILE QD1 144 ILE HA 2.80 (# 4404:25 Unique 2.09, 2.93 A)
&rst
ixpk= 4404, nxpk= 25, iat= -1,2184, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2195,2196,2197,
&end
#
# 144 ILE QG2 144 ILE HA 2.80 (# 4405:25 Unique 2.56, 3.36 A)
&rst
ixpk= 4405, nxpk= 25, iat= -1,2184, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2188,2189,2190,
&end
#
# 121 LEU MDX 144 ILE HA 2.80 (# 4407:25 Unique 2.31, 4.09 A)
&rst
ixpk= 4407, nxpk= 25, iat= -1,2184, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1829,1830,1831,1833,1834,1835,
&end
#
# 0 AMB 25-2:4408 144 ILE HA 2.80 (# 4408:25 Single Ambig)
&rst
ixpk= 4408, nxpk= 25, iat= -1,2184, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 49, 50,2186,
&end
#
# 144 ILE HN 144 ILE HA 3.50 (# 4409:25 Unique 2.83, 2.87 A)
&rst
ixpk= 4409, nxpk= 25, iat=2182,2184, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 145 SER HN 144 ILE HA 3.50 (# 4410:25 Unique 3.52, 3.54 A)
&rst
ixpk= 4410, nxpk= 25, iat=2201,2184, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:4417 144 ILE QD1 5.50 (# 4417:25 Single Ambig)
&rst
ixpk= 4417, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2141,2151,
igr2=2195,2196,2197,
&end
#
# 4 SER HN 144 ILE QD1 5.50 (# 4418:25 Unique 4.48, 6.14 A)
&rst
ixpk= 4418, nxpk= 25, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2195,2196,2197,
&end
#
# 81 LEU HN 144 ILE QD1 5.50 (# 4419:25 Unique 4.78, 6.47 A)
&rst
ixpk= 4419, nxpk= 25, iat=1233, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2195,2196,2197,
&end
#
# 0 AMB 25-2:4420 144 ILE QD1 5.50 (# 4420:25 Single Ambig)
&rst
ixpk= 4420, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2201,1574,
igr2=2195,2196,2197,
&end
#
# 144 ILE HN 144 ILE QD1 4.50 (# 4421:25 Unique 3.17, 4.24 A)
&rst
ixpk= 4421, nxpk= 25, iat=2182, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2195,2196,2197,
&end
#
# 7 PHE HD 144 ILE QD1 4.50 (# 4423:25 Unique 2.34, 4.55 A)
&rst
ixpk= 4423, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 116, 124,
igr2=2195,2196,2197,
&end
#
# 81 LEU HA 144 ILE QD1 5.50 (# 4428:25 Unique 4.59, 6.34 A)
&rst
ixpk= 4428, nxpk= 25, iat=1235, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2195,2196,2197,
&end
#
# 0 AMB 25-2:4429 144 ILE QD1 5.50 (# 4429:25 Single Ambig)
&rst
ixpk= 4429, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2203,1822,
igr2=2195,2196,2197,
&end
#
# 4 SER HA 144 ILE QD1 4.50 (# 4430:25 Unique 4.37, 5.67 A)
&rst
ixpk= 4430, nxpk= 25, iat= 66, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2195,2196,2197,
&end
#
# 144 ILE HA 144 ILE QD1 3.50 (# 4431:25 Unique 2.09, 2.93 A)
&rst
ixpk= 4431, nxpk= 25, iat=2184, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2195,2196,2197,
&end
#
# 7 PHE HB+ 144 ILE QD1 5.50 (# 4432:25 Unique 2.97, 5.28 A)
&rst
ixpk= 4432, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 112, 113,
igr2=2195,2196,2197,
&end
#
# 3 LEU HB- 144 ILE QD1 3.50 (# 4433:25 Unique 2.29, 4.13 A)
&rst
ixpk= 4433, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 49, 50,
igr2=2195,2196,2197,
&end
#
# 81 LEU HB+ 144 ILE QD1 4.50 (# 4434:25 Unique 2.20, 5.22 A)
&rst
ixpk= 4434, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1237,1238,
igr2=2195,2196,2197,
&end
#
# 0 AMB 25-2:4435 144 ILE QD1 4.50 (# 4435:25 Single Ambig)
&rst
ixpk= 4435, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=2145,2146,2147,1779,1780,
igr2=2195,2196,2197,
&end
#
# 144 ILE HG1- 144 ILE QD1 2.80 (# 4436:25 Unique 2.25, 2.64 A)
&rst
ixpk= 4436, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2192,2193,
igr2=2195,2196,2197,
&end
#
# 144 ILE HG1+ 144 ILE QD1 2.80 (# 4437:25 Unique 2.25, 2.64 A)
&rst
ixpk= 4437, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2192,2193,
igr2=2195,2196,2197,
&end
#
# 0 AMB 25-2:4438 144 ILE QD1 2.80 (# 4438:25 Single Ambig)
&rst
ixpk= 4438, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1=1829,1830,1831,1833,1834,1835,2169,2170,2171,
igr2=2195,2196,2197,
&end
#
# 0 AMB 25-2:4439 144 ILE QD1 2.80 (# 4439:25 Single Ambig)
&rst
ixpk= 4439, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=2188,2189,2190, 192, 193, 194,
igr2=2195,2196,2197,
&end
#
# 144 ILE QD1 144 ILE QG2 2.80 (# 4440:25 Unique 2.20, 3.77 A)
&rst
ixpk= 4440, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=2195,2196,2197,
igr2=2188,2189,2190,
&end
#
# 144 ILE HG1+ 144 ILE QG2 2.80 (# 4441:25 Unique 2.26, 3.49 A)
&rst
ixpk= 4441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2192,2193,
igr2=2188,2189,2190,
&end
#
# 144 ILE HG1- 144 ILE QG2 3.50 (# 4442:25 Unique 2.26, 3.49 A)
&rst
ixpk= 4442, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2192,2193,
igr2=2188,2189,2190,
&end
#
# 0 AMB 25-2:4443 144 ILE QG2 2.80 (# 4443:25 Single Ambig)
&rst
ixpk= 4443, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 49, 50,2186,
igr2=2188,2189,2190,
&end
#
# 0 AMB 25-2:4444 144 ILE QG2 2.80 (# 4444:25 Single Ambig)
&rst
ixpk= 4444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2184,2143,
igr2=2188,2189,2190,
&end
#
# 0 AMB 25-2:4445 144 ILE QG2 3.50 (# 4445:25 Single Ambig)
&rst
ixpk= 4445, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 68, 69, 66,
igr2=2188,2189,2190,
&end
#
# 145 SER HA 144 ILE QG2 4.50 (# 4446:25 Unique 3.01, 4.11 A)
&rst
ixpk= 4446, nxpk= 25, iat=2203, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2188,2189,2190,
&end
#
# 7 PHE HD 144 ILE QG2 4.50 (# 4450:25 Unique 2.44, 4.48 A)
&rst
ixpk= 4450, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 116, 124,
igr2=2188,2189,2190,
&end
#
# 144 ILE HN 144 ILE QG2 4.50 (# 4452:25 Unique 4.18, 4.56 A)
&rst
ixpk= 4452, nxpk= 25, iat=2182, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2188,2189,2190,
&end
#
# 145 SER HN 144 ILE QG2 4.50 (# 4453:25 Unique 2.84, 4.09 A)
&rst
ixpk= 4453, nxpk= 25, iat=2201, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2188,2189,2190,
&end
#
# 4 SER HN 144 ILE QG2 5.50 (# 4454:25 Unique 2.33, 3.74 A)
&rst
ixpk= 4454, nxpk= 25, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2188,2189,2190,
&end
#
# 145 SER HN 145 SER HA 3.50 (# 4455:25 Unique 2.78, 2.82 A)
&rst
ixpk= 4455, nxpk= 25, iat=2201,2203, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 146 ARG HN 145 SER HA 4.50 (# 4456:25 Unique 3.39, 3.53 A)
&rst
ixpk= 4456, nxpk= 25, iat=2212,2203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 SER HB+ 145 SER HA 3.50 (# 4457:25 Unique 2.33, 4.07 A)
&rst
ixpk= 4457, nxpk= 25, iat= -1,2203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 68, 69,
&end
#
# 144 ILE QD1 145 SER HA 5.50 (# 4458:25 Unique 6.09, 6.86 A)
&rst
ixpk= 4458, nxpk= 25, iat= -1,2203, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2195,2196,2197,
&end
#
# 145 SER HN 145 SER HB+ 2.80 (# 4459:25 Unique 2.52, 3.08 A)
&rst
ixpk= 4459, nxpk= 25, iat=2201, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2205,2206,
&end
#
# 146 ARG HN 145 SER HB+ 3.50 (# 4460:25 Unique 2.85, 3.59 A)
&rst
ixpk= 4460, nxpk= 25, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2205,2206,
&end
#
# 0 AMB 25-2:4462 0 AMB 25-1:4462 2.80 (# 4462:25 Double Ambig)
&rst
ixpk= 4462, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2153,2203,
igr2=2205,2206,2205,2206,
&end
#
# 142 ASP HB+ 145 SER HB+ 5.50 (# 4464:25 Unique 4.59, 5.97 A)
&rst
ixpk= 4464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2155,2156,
igr2=2205,2206,
&end
#
# 142 ASP HB- 145 SER HB+ 5.50 (# 4465:25 Unique 4.59, 5.97 A)
&rst
ixpk= 4465, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2155,2156,
igr2=2205,2206,
&end
#
# 0 AMB 25-2:4466 0 AMB 25-1:4466 4.50 (# 4466:25 Double Ambig)
&rst
ixpk= 4466, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2219,2220,2186,
igr2=2205,2206,2205,2206,
&end
#
# 144 ILE QG2 145 SER HB+ 4.50 (# 4467:25 Unique 4.61, 6.12 A)
&rst
ixpk= 4467, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2188,2189,2190,
igr2=2205,2206,
&end
#
# 146 ARG HG- 146 ARG HA 2.80 (# 4468:25 Unique 2.26, 2.93 A)
&rst
ixpk= 4468, nxpk= 25, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2219,2220,
&end
#
# 146 ARG HB- 146 ARG HA 2.80 (# 4469:25 Unique 2.20, 2.74 A)
&rst
ixpk= 4469, nxpk= 25, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2216,2217,
&end
#
# 146 ARG HG+ 146 ARG HA 2.80 (# 4470:25 Unique 2.26, 2.93 A)
&rst
ixpk= 4470, nxpk= 25, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2219,2220,
&end
#
# 146 ARG HD+ 146 ARG HA 4.50 (# 4471:25 Unique 2.52, 4.49 A)
&rst
ixpk= 4471, nxpk= 25, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2222,2223,
&end
#
# 146 ARG HN 146 ARG HA 2.80 (# 4472:25 Unique 2.70, 2.80 A)
&rst
ixpk= 4472, nxpk= 25, iat=2212,2214, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 147 GLY HN 146 ARG HA 3.50 (# 4473:25 Unique 3.36, 3.50 A)
&rst
ixpk= 4473, nxpk= 25, iat=2236,2214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 146 ARG HN 146 ARG HB- 2.80 (# 4474:25 Unique 1.91, 2.74 A)
&rst
ixpk= 4474, nxpk= 25, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2216,2217,
&end
#
# 146 ARG HN 146 ARG HB+ 2.80 (# 4475:25 Unique 1.91, 2.74 A)
&rst
ixpk= 4475, nxpk= 25, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2216,2217,
&end
#
# 146 ARG HA 146 ARG HB- 2.80 (# 4476:25 Unique 2.20, 2.74 A)
&rst
ixpk= 4476, nxpk= 25, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2216,2217,
&end
#
# 0 AMB 25-2:4477 0 AMB 25-1:4477 2.80 (# 4477:25 Double Ambig)
&rst
ixpk= 4477, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2214, 967,
igr2=2216,2217, 964, 965,
&end
#
# 146 ARG HD+ 146 ARG HB- 2.80 (# 4478:25 Unique 2.26, 3.05 A)
&rst
ixpk= 4478, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2222,2223,
igr2=2216,2217,
&end
#
# 146 ARG HD+ 146 ARG HB+ 3.50 (# 4479:25 Unique 2.26, 3.05 A)
&rst
ixpk= 4479, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2222,2223,
igr2=2216,2217,
&end
#
# 146 ARG HN 146 ARG HG+ 3.50 (# 4482:25 Unique 1.84, 3.38 A)
&rst
ixpk= 4482, nxpk= 25, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2219,2220,
&end
#
# 146 ARG HN 146 ARG HG- 3.50 (# 4483:25 Unique 1.84, 3.38 A)
&rst
ixpk= 4483, nxpk= 25, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2219,2220,
&end
#
# 146 ARG HA 146 ARG HG+ 3.50 (# 4484:25 Unique 2.26, 2.93 A)
&rst
ixpk= 4484, nxpk= 25, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2219,2220,
&end
#
# 146 ARG HA 146 ARG HG- 2.80 (# 4485:25 Unique 2.26, 2.93 A)
&rst
ixpk= 4485, nxpk= 25, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2219,2220,
&end
#
# 146 ARG HD+ 146 ARG HG+ 2.80 (# 4488:25 Unique 2.37, 2.70 A)
&rst
ixpk= 4488, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2222,2223,
igr2=2219,2220,
&end
#
# 146 ARG HD+ 146 ARG HG- 2.80 (# 4489:25 Unique 2.37, 2.70 A)
&rst
ixpk= 4489, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2222,2223,
igr2=2219,2220,
&end
#
# 147 GLY HN 146 ARG HD+ 5.50 (# 4490:25 Unique 4.11, 5.64 A)
&rst
ixpk= 4490, nxpk= 25, iat=2236, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2222,2223,
&end
#
# 146 ARG HN 146 ARG HD+ 4.50 (# 4491:25 Unique 4.03, 4.76 A)
&rst
ixpk= 4491, nxpk= 25, iat=2212, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2222,2223,
&end
#
# 130 GLN HE2- 146 ARG HD+ 5.50 (# 4493:25 Unique 3.28, 5.51 A)
&rst
ixpk= 4493, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1979,1980,
igr2=2222,2223,
&end
#
# 146 ARG HA 146 ARG HD+ 4.50 (# 4495:25 Unique 2.52, 4.49 A)
&rst
ixpk= 4495, nxpk= 25, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2222,2223,
&end
#
# 0 AMB 25-2:4496 0 AMB 25-1:4496 2.80 (# 4496:25 Double Ambig)
&rst
ixpk= 4496, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2216,2217,2216,2217,
igr2=2222,2223,2222,2223,
&end
#
# 146 ARG HG+ 146 ARG HD+ 2.80 (# 4497:25 Unique 2.37, 2.70 A)
&rst
ixpk= 4497, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2219,2220,
igr2=2222,2223,
&end
#
# 146 ARG HG- 146 ARG HD+ 2.80 (# 4498:25 Unique 2.37, 2.70 A)
&rst
ixpk= 4498, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2219,2220,
igr2=2222,2223,
&end
#
# 0 AMB 25-2:4499 0 AMB 25-1:4499 3.50 (# 4499:25 Double Ambig)
&rst
ixpk= 4499, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1927,1928,1929,2169,2170,2171,
igr2=2222,2223,2222,2223,
&end
#
# 121 LEU MDY 146 ARG HD+ 4.50 (# 4500:25 Unique 3.55, 7.44 A)
&rst
ixpk= 4500, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1829,1830,1831,1833,1834,1835,
igr2=2222,2223,
&end
#
# 147 GLY HN 147 GLY HA+ 2.80 (# 4501:25 Unique 2.20, 2.54 A)
&rst
ixpk= 4501, nxpk= 25, iat=2236, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2238,2239,
&end
#
# 147 GLY HN 147 GLY HA- 2.80 (# 4502:25 Unique 2.20, 2.54 A)
&rst
ixpk= 4502, nxpk= 25, iat=2236, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2238,2239,
&end
#
# 3 LEU HB+ 147 GLY HA- 4.50 (# 4506:25 Unique 2.17, 4.29 A)
&rst
ixpk= 4506, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 49, 50,
igr2=2238,2239,
&end
#
# 146 ARG HG+ 147 GLY HA- 5.50 (# 4507:25 Unique 3.06, 5.70 A)
&rst
ixpk= 4507, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2219,2220,
igr2=2238,2239,
&end
#
# 0 AMB 25-2:4508 0 AMB 25-1:4508 5.50 (# 4508:25 Double Ambig)
&rst
ixpk= 4508, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 49, 50,2219,2220,
igr2=2238,2239,2238,2239,
&end
#
# 3 LEU HB+ 147 GLY HA+ 4.50 (# 4509:25 Unique 2.17, 4.29 A)
&rst
ixpk= 4509, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 49, 50,
igr2=2238,2239,
&end
#
# 3 LEU HG 147 GLY HA+ 4.50 (# 4510:25 Unique 2.82, 3.94 A)
&rst
ixpk= 4510, nxpk= 25, iat= 52, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2238,2239,
&end
#
# 121 LEU MDY 147 GLY HA+ 3.50 (# 4511:25 Unique 2.81, 5.90 A)
&rst
ixpk= 4511, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1829,1830,1831,1833,1834,1835,
igr2=2238,2239,
&end
#
# 121 LEU MDX 147 GLY HA+ 4.50 (# 4512:25 Unique 2.81, 5.90 A)
&rst
ixpk= 4512, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1829,1830,1831,1833,1834,1835,
igr2=2238,2239,
&end
#
# 121 LEU MDX 147 GLY HA- 4.50 (# 4513:25 Unique 2.81, 5.90 A)
&rst
ixpk= 4513, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1829,1830,1831,1833,1834,1835,
igr2=2238,2239,
&end
#
# 3 LEU HG 147 GLY HA- 3.50 (# 4514:25 Unique 2.82, 3.94 A)
&rst
ixpk= 4514, nxpk= 25, iat= 52, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2238,2239,
&end
#
# 121 LEU MDY 147 GLY HA- 4.50 (# 4515:25 Unique 2.81, 5.90 A)
&rst
ixpk= 4515, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1829,1830,1831,1833,1834,1835,
igr2=2238,2239,
&end
#
# 0 AMB 25-2:4517 13 SER HB- 5.50 (# 4517:25 Single Ambig)
&rst
ixpk= 4517, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 213,1270,1271,
igr2= 202, 203,
&end
#
# 137 GLU HG- 13 SER HB- 5.50 (# 4518:25 Unique 4.30, 5.28 A)
&rst
ixpk= 4518, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2075,2076,
igr2= 202, 203,
&end
#
# 138 LYS HG- 136 SER HB+ 5.50 (# 4519:25 Unique 3.01, 5.22 A)
&rst
ixpk= 4519, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2090,2091,
igr2=2061,2062,
&end
#
# 42 TYR HB- 39 SER HB- 5.50 (# 4520:25 Unique 3.22, 4.92 A)
&rst
ixpk= 4520, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 658, 659,
igr2= 618, 619,
&end
#
# 0 AMB 25-2:4521 39 SER HB- 5.50 (# 4521:25 Single Ambig)
&rst
ixpk= 4521, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 516, 517, 518, 520, 521, 522, 514,
igr2= 618, 619,
&end
#
# 75 LEU MDX 39 SER HB- 4.50 (# 4522:25 Unique 2.46, 5.30 A)
&rst
ixpk= 4522, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1152,1153,1154,1156,1157,1158,
igr2= 618, 619,
&end
#
# 38 ILE HA 39 SER HB+ 5.50 (# 4523:25 Unique 4.60, 5.27 A)
&rst
ixpk= 4523, nxpk= 25, iat= 597, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 618, 619,
&end
#
# 55 PRO HD+ 50 THR HA 5.50 (# 4525:25 Unique 3.11, 5.17 A)
&rst
ixpk= 4525, nxpk= 25, iat= -1, 787, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 854, 855,
&end
#
# 12 ILE HA 11 SER HB+ 5.50 (# 4536:25 Unique 4.27, 5.22 A)
&rst
ixpk= 4536, nxpk= 25, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 172, 173,
&end
#
# 37 TYR HB+ 104 SER HB- 5.50 (# 4540:25 Unique 2.79, 4.25 A)
&rst
ixpk= 4540, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 578, 579,
igr2=1604,1605,
&end
#
# 43 ILE QG2 43 ILE HA 2.80 (# 4541:25 Unique 2.61, 3.20 A)
&rst
ixpk= 4541, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 681, 682, 683,
&end
#
# 47 LYS HN 46 ILE HA 4.50 (# 4543:25 Unique 3.56, 3.62 A)
&rst
ixpk= 4543, nxpk= 25, iat= 740, 723, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 ALA MB 46 ILE HA 4.50 (# 4546:25 Unique 4.14, 4.88 A)
&rst
ixpk= 4546, nxpk= 25, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 715, 716, 717,
&end
#
# 0 AMB 25-2:4548 51 ILE HA 5.50 (# 4548:25 Single Ambig)
&rst
ixpk= 4548, nxpk= 25, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 822, 823, 766, 767,
&end
#
# 51 ILE HN 51 ILE HA 3.50 (# 4549:25 Unique 2.84, 2.87 A)
&rst
ixpk= 4549, nxpk= 25, iat= 799, 801, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 ASN HN 51 ILE HA 4.50 (# 4550:25 Unique 3.56, 3.59 A)
&rst
ixpk= 4550, nxpk= 25, iat= 818, 801, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 ILE HB 51 ILE HA 3.50 (# 4551:25 Unique 3.03, 3.04 A)
&rst
ixpk= 4551, nxpk= 25, iat= 803, 801, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:4552 51 ILE HA 2.80 (# 4552:25 Single Ambig)
&rst
ixpk= 4552, nxpk= 25, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1404,1405, 809, 810,
&end
#
# 51 ILE QG2 51 ILE HA 2.80 (# 4553:25 Unique 2.66, 3.33 A)
&rst
ixpk= 4553, nxpk= 25, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 805, 806, 807,
&end
#
# 50 THR MG2 51 ILE HA 4.50 (# 4554:25 Unique 3.58, 5.22 A)
&rst
ixpk= 4554, nxpk= 25, iat= -1, 801, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 791, 792, 793,
&end
#
# 7 PHE HB+ 11 SER HB+ 5.50 (# 4555:25 Unique 2.22, 3.55 A)
&rst
ixpk= 4555, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 112, 113,
igr2= 172, 173,
&end
#
# 116 GLN HG+ 112 ILE HA 5.50 (# 4559:25 Unique 3.75, 4.44 A)
&rst
ixpk= 4559, nxpk= 25, iat= -1,1695, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1755,1756,
&end
#
# 100 LEU HG 28 SER HB+ 5.50 (# 4560:25 Unique 4.52, 5.55 A)
&rst
ixpk= 4560, nxpk= 25, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 437, 438,
&end
#
# 93 ASN HD2+ 61 PRO HA 5.50 (# 4562:25 Unique 4.06, 5.99 A)
&rst
ixpk= 4562, nxpk= 25, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1430,1431,
&end
#
# 0 AMB 25-2:4564 49 SER HB- 5.50 (# 4564:25 Single Ambig)
&rst
ixpk= 4564, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 822, 823, 766, 767,
igr2= 778, 779,
&end
#
# 53 ASN HD2+ 49 SER HB- 5.50 (# 4570:25 Unique 2.82, 5.84 A)
&rst
ixpk= 4570, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 841, 842,
igr2= 778, 779,
&end
#
# 50 THR HN 49 SER HB- 4.50 (# 4571:25 Unique 2.55, 3.29 A)
&rst
ixpk= 4571, nxpk= 25, iat= 785, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 778, 779,
&end
#
# 49 SER HN 49 SER HB- 3.50 (# 4572:25 Unique 2.44, 3.07 A)
&rst
ixpk= 4572, nxpk= 25, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 778, 779,
&end
#
# 53 ASN HD2+ 49 SER HB+ 5.50 (# 4573:25 Unique 2.82, 5.84 A)
&rst
ixpk= 4573, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 841, 842,
igr2= 778, 779,
&end
#
# 0 AMB 25-2:4575 47 LYS HA 4.50 (# 4575:25 Single Ambig)
&rst
ixpk= 4575, nxpk= 25, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 750, 751, 344, 345,
&end
#
# 74 ALA HN 106 ALA HA 5.50 (# 4598:25 Unique 5.18, 5.30 A)
&rst
ixpk= 4598, nxpk= 25, iat=1133,1623, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 ALA HN 106 ALA HA 5.50 (# 4599:25 Unique 4.42, 4.49 A)
&rst
ixpk= 4599, nxpk= 25, iat=1611,1623, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 ASP HB- 106 ALA HA 5.50 (# 4601:25 Unique 5.15, 5.46 A)
&rst
ixpk= 4601, nxpk= 25, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1635,1636,
&end
#
# 77 THR HN 106 ALA HA 5.50 (# 4603:25 Unique 5.36, 5.48 A)
&rst
ixpk= 4603, nxpk= 25, iat=1184,1623, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 ASP HA 106 ALA MB 4.50 (# 4604:25 Unique 4.95, 5.36 A)
&rst
ixpk= 4604, nxpk= 25, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1625,1626,1627,
&end
#
# 107 ASP HA 106 ALA MB 4.50 (# 4605:25 Unique 4.95, 5.36 A)
&rst
ixpk= 4605, nxpk= 25, iat=1633, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1625,1626,1627,
&end
#
# 107 ASP HB- 106 ALA MB 5.50 (# 4606:25 Unique 4.00, 4.97 A)
&rst
ixpk= 4606, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1635,1636,
igr2=1625,1626,1627,
&end
#
# 70 PRO HB+ 106 ALA MB 5.50 (# 4607:25 Unique 5.28, 6.48 A)
&rst
ixpk= 4607, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1093,1094,
igr2=1625,1626,1627,
&end
#
# 109 ASP HN 107 ASP HB+ 4.50 (# 4609:25 Unique 3.46, 4.09 A)
&rst
ixpk= 4609, nxpk= 25, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1635,1636,
&end
#
# 109 ASP HN 107 ASP HB- 5.50 (# 4610:25 Unique 3.46, 4.09 A)
&rst
ixpk= 4610, nxpk= 25, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1635,1636,
&end
#
# 108 ALA MB 108 ALA HA 2.80 (# 4611:25 Unique 2.45, 2.66 A)
&rst
ixpk= 4611, nxpk= 25, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1647,1648,1649,
&end
#
# 110 SER HN 108 ALA HA 5.50 (# 4613:25 Unique 4.28, 4.36 A)
&rst
ixpk= 4613, nxpk= 25, iat=1665,1645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 SER HN 108 ALA MB 5.50 (# 4615:25 Unique 5.06, 5.57 A)
&rst
ixpk= 4615, nxpk= 25, iat=1665, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1647,1648,1649,
&end
#
# 108 ALA MB 109 ASP HB+ 4.50 (# 4618:25 Unique 4.41, 5.57 A)
&rst
ixpk= 4618, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1647,1648,1649,
igr2=1657,1658,
&end
#
# 0 AMB 25-2:4619 0 AMB 25-1:4619 4.50 (# 4619:25 Double Ambig)
&rst
ixpk= 4619, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1699,1700,1701,1706,1707,1708,
igr2=1657,1658,1657,1658,
&end
#
# 0 AMB 25-2:4623 119 SER HA 5.50 (# 4623:25 Single Ambig)
&rst
ixpk= 4623, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1775,1748,
&end
#
# 121 LEU HN 119 SER HA 5.50 (# 4624:25 Unique 3.35, 3.56 A)
&rst
ixpk= 4624, nxpk= 25, iat=1820,1796, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:4626 0 AMB 25-1:4626 5.50 (# 4626:25 Double Ambig)
&rst
ixpk= 4626, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1090,1091,1873,1874,1809,1810,
igr2=1669,1670,1796,
&end
#
# 106 ALA MB 110 SER HB+ 5.50 (# 4627:25 Unique 4.18, 5.56 A)
&rst
ixpk= 4627, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1625,1626,1627,
igr2=1669,1670,
&end
#
# 103 LEU MDY 111 HIS HA 4.50 (# 4629:25 Unique 2.23, 3.88 A)
&rst
ixpk= 4629, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 110 SER HB+ 111 HIS HB- 5.50 (# 4630:25 Unique 4.52, 5.38 A)
&rst
ixpk= 4630, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1669,1670,
igr2=1680,1681,
&end
#
# 110 SER HB+ 111 HIS HB+ 5.50 (# 4631:25 Unique 4.52, 5.38 A)
&rst
ixpk= 4631, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1669,1670,
igr2=1680,1681,
&end
#
# 0 AMB 25-2:4634 43 ILE HB 5.50 (# 4634:25 Single Ambig)
&rst
ixpk= 4634, nxpk= 25, iat= -1, 679, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 642, 618, 619,
&end
#
# 111 HIS HB+ 112 ILE HB 5.50 (# 4635:25 Unique 4.87, 5.72 A)
&rst
ixpk= 4635, nxpk= 25, iat= -1,1697, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1680,1681,
&end
#
# 0 AMB 25-2:4636 0 AMB 25-1:4636 5.50 (# 4636:25 Double Ambig)
&rst
ixpk= 4636, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 658, 659,1680,1681,
igr2= 679,1697,
&end
#
# 112 ILE HB 112 ILE HG1+ 2.80 (# 4639:25 Unique 2.32, 2.44 A)
&rst
ixpk= 4639, nxpk= 25, iat=1697, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1703,1704,
&end
#
# 0 AMB 25-2:4644 112 ILE QD1 5.50 (# 4644:25 Single Ambig)
&rst
ixpk= 4644, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1712,1676,
igr2=1706,1707,1708,
&end
#
# 0 AMB 25-2:4645 112 ILE QD1 5.50 (# 4645:25 Single Ambig)
&rst
ixpk= 4645, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1714,1715,1678,
igr2=1706,1707,1708,
&end
#
# 116 GLN HB+ 112 ILE QD1 5.50 (# 4646:25 Unique 6.62, 7.75 A)
&rst
ixpk= 4646, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1752,1753,
igr2=1706,1707,1708,
&end
#
# 116 GLN HN 112 ILE QD1 5.50 (# 4647:25 Unique 5.49, 6.49 A)
&rst
ixpk= 4647, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1706,1707,1708,
&end
#
# 116 GLN HE2- 112 ILE QG2 5.50 (# 4648:25 Unique 2.29, 5.09 A)
&rst
ixpk= 4648, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1760,1761,
igr2=1699,1700,1701,
&end
#
# 116 GLN HG- 112 ILE QG2 4.50 (# 4649:25 Unique 2.92, 3.98 A)
&rst
ixpk= 4649, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1755,1756,
igr2=1699,1700,1701,
&end
#
# 112 ILE HG1+ 112 ILE QG2 2.80 (# 4650:25 Unique 2.46, 3.55 A)
&rst
ixpk= 4650, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1703,1704,
igr2=1699,1700,1701,
&end
#
# 116 GLN HG+ 113 GLY HA+ 5.50 (# 4652:25 Unique 3.67, 4.95 A)
&rst
ixpk= 4652, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1755,1756,
igr2=1714,1715,
&end
#
# 116 GLN HG+ 113 GLY HA- 5.50 (# 4653:25 Unique 3.67, 4.95 A)
&rst
ixpk= 4653, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1755,1756,
igr2=1714,1715,
&end
#
# 79 MET HG+ 114 ALA MB 4.50 (# 4661:25 Unique 2.59, 4.22 A)
&rst
ixpk= 4661, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1212,1213,
igr2=1723,1724,1725,
&end
#
# 0 AMB 25-2:4662 114 ALA MB 3.50 (# 4662:25 Single Ambig)
&rst
ixpk= 4662, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1190,1191,1192,1769,1770,1771,
igr2=1723,1724,1725,
&end
#
# 0 AMB 25-2:4663 114 ALA MB 5.50 (# 4663:25 Single Ambig)
&rst
ixpk= 4663, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1782,1585,1586,
igr2=1723,1724,1725,
&end
#
# 79 MET HG- 114 ALA MB 3.50 (# 4664:25 Unique 2.59, 4.22 A)
&rst
ixpk= 4664, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1212,1213,
igr2=1723,1724,1725,
&end
#
# 114 ALA HA 114 ALA MB 2.80 (# 4666:25 Unique 2.42, 2.66 A)
&rst
ixpk= 4666, nxpk= 25, iat=1721, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1723,1724,1725,
&end
#
# 111 HIS HA 114 ALA MB 3.50 (# 4667:25 Unique 2.46, 3.63 A)
&rst
ixpk= 4667, nxpk= 25, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1723,1724,1725,
&end
#
# 110 SER HB+ 114 ALA MB 5.50 (# 4668:25 Unique 4.47, 5.98 A)
&rst
ixpk= 4668, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1669,1670,
igr2=1723,1724,1725,
&end
#
# 67 HIS HD2 114 ALA MB 5.50 (# 4671:25 Unique 6.20, 6.83 A)
&rst
ixpk= 4671, nxpk= 25, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1723,1724,1725,
&end
#
# 0 AMB 25-2:4672 114 ALA MB 5.50 (# 4672:25 Single Ambig)
&rst
ixpk= 4672, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1748,1775,
igr2=1723,1724,1725,
&end
#
# 113 GLY HN 114 ALA MB 4.50 (# 4673:25 Unique 4.75, 5.48 A)
&rst
ixpk= 4673, nxpk= 25, iat=1712, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1723,1724,1725,
&end
#
# 115 ILE HN 114 ALA MB 2.80 (# 4674:25 Unique 2.46, 3.38 A)
&rst
ixpk= 4674, nxpk= 25, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1723,1724,1725,
&end
#
# 114 ALA HN 114 ALA MB 2.80 (# 4675:25 Unique 2.32, 2.83 A)
&rst
ixpk= 4675, nxpk= 25, iat=1719, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1723,1724,1725,
&end
#
# 114 ALA HN 114 ALA MB 2.80 (# 4676:25 Unique 2.32, 2.83 A)
&rst
ixpk= 4676, nxpk= 25, iat=1719, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1723,1724,1725,
&end
#
# 6 TYR HD 114 ALA MB 5.50 (# 4677:25 Unique 2.76, 4.91 A)
&rst
ixpk= 4677, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 95, 104,
igr2=1723,1724,1725,
&end
#
# 103 LEU HA 114 ALA MB 5.50 (# 4681:25 Unique 4.33, 5.38 A)
&rst
ixpk= 4681, nxpk= 25, iat=1583, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1723,1724,1725,
&end
#
# 103 LEU MDY 114 ALA MB 2.80 (# 4682:25 Unique 2.14, 3.66 A)
&rst
ixpk= 4682, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1723,1724,1725,
&end
#
# 103 LEU MDX 114 ALA MB 3.50 (# 4683:25 Unique 2.14, 3.66 A)
&rst
ixpk= 4683, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1723,1724,1725,
&end
#
# 103 LEU HB+ 115 ILE HA 4.50 (# 4685:25 Unique 4.96, 5.30 A)
&rst
ixpk= 4685, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1585,1586,
&end
#
# 0 AMB 25-2:4686 115 ILE HA 5.50 (# 4686:25 Single Ambig)
&rst
ixpk= 4686, nxpk= 25, iat= -1,1731, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1777,1796,
&end
#
# 0 AMB 25-2:4687 115 ILE HB 5.50 (# 4687:25 Single Ambig)
&rst
ixpk= 4687, nxpk= 25, iat= -1,1733, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1712,1676,
&end
#
# 115 ILE QG2 115 ILE HG1+ 2.80 (# 4689:25 Unique 2.36, 3.51 A)
&rst
ixpk= 4689, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1735,1736,1737,
igr2=1739,1740,
&end
#
# 115 ILE HB 115 ILE HG1+ 2.80 (# 4693:25 Unique 2.35, 2.42 A)
&rst
ixpk= 4693, nxpk= 25, iat=1733, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1739,1740,
&end
#
# 116 GLN HN 115 ILE QD1 5.50 (# 4694:25 Unique 5.41, 5.90 A)
&rst
ixpk= 4694, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1742,1743,1744,
&end
#
# 0 AMB 25-2:4700 0 AMB 25-1:4700 2.80 (# 4700:25 Double Ambig)
&rst
ixpk= 4700, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1028,1029,1733,
igr2= 727, 728, 729,1735,1736,1737,
&end
#
# 115 ILE HG1- 115 ILE QG2 2.80 (# 4701:25 Unique 2.36, 3.51 A)
&rst
ixpk= 4701, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1739,1740,
igr2=1735,1736,1737,
&end
#
# 25 ILE QD1 46 ILE QG2 2.80 (# 4702:25 Unique 2.12, 3.29 A)
&rst
ixpk= 4702, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 395, 396, 397,
igr2= 727, 728, 729,
&end
#
# 115 ILE QD1 115 ILE QG2 2.80 (# 4703:25 Unique 2.35, 3.71 A)
&rst
ixpk= 4703, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1742,1743,1744,
igr2=1735,1736,1737,
&end
#
# 115 ILE HA 116 GLN HA 5.50 (# 4704:25 Unique 4.80, 4.84 A)
&rst
ixpk= 4704, nxpk= 25, iat=1731,1750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 GLN HG+ 116 GLN HA 2.80 (# 4705:25 Unique 2.41, 3.09 A)
&rst
ixpk= 4705, nxpk= 25, iat= -1,1750, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1755,1756,
&end
#
# 116 GLN HG- 116 GLN HA 2.80 (# 4706:25 Unique 2.41, 3.09 A)
&rst
ixpk= 4706, nxpk= 25, iat= -1,1750, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1755,1756,
&end
#
# 133 THR MG2 129 GLU HA 4.50 (# 4707:25 Unique 3.20, 4.53 A)
&rst
ixpk= 4707, nxpk= 25, iat= -1,1954, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2028,2029,2030,
&end
#
# 113 GLY HA- 116 GLN HB+ 2.80 (# 4709:25 Unique 2.29, 4.18 A)
&rst
ixpk= 4709, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1714,1715,
igr2=1752,1753,
&end
#
# 28 SER HB- 29 MET HG- 4.50 (# 4710:25 Unique 2.36, 4.60 A)
&rst
ixpk= 4710, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 437, 438,
igr2= 451, 452,
&end
#
# 113 GLY HA- 116 GLN HG- 3.50 (# 4711:25 Unique 3.67, 4.95 A)
&rst
ixpk= 4711, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1714,1715,
igr2=1755,1756,
&end
#
# 46 ILE QD1 29 MET HG- 5.50 (# 4714:25 Unique 2.17, 3.85 A)
&rst
ixpk= 4714, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 734, 735, 736,
igr2= 451, 452,
&end
#
# 0 AMB 25-2:4715 117 ALA HA 5.50 (# 4715:25 Single Ambig)
&rst
ixpk= 4715, nxpk= 25, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 52,1723,1724,1725,
&end
#
# 0 AMB 25-2:4717 117 ALA HA 5.50 (# 4717:25 Single Ambig)
&rst
ixpk= 4717, nxpk= 25, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1721,2238,2239,
&end
#
# 119 SER HN 117 ALA HA 4.50 (# 4718:25 Unique 4.09, 4.22 A)
&rst
ixpk= 4718, nxpk= 25, iat=1794,1767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 LEU HN 117 ALA MB 5.50 (# 4719:25 Unique 3.80, 5.45 A)
&rst
ixpk= 4719, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1769,1770,1771,
&end
#
# 142 ASP HN 141 ALA MB 2.80 (# 4720:25 Unique 2.67, 3.59 A)
&rst
ixpk= 4720, nxpk= 25, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2145,2146,2147,
&end
#
# 0 AMB 25-2:4723 0 AMB 25-1:4723 3.50 (# 4723:25 Double Ambig)
&rst
ixpk= 4723, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1765,2236,
igr2=1782,1827,
&end
#
# 119 SER HN 118 LEU HG 4.50 (# 4724:25 Unique 2.56, 3.45 A)
&rst
ixpk= 4724, nxpk= 25, iat=1794,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:4727 118 LEU MDX 3.50 (# 4727:25 Single Ambig)
&rst
ixpk= 4727, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1212,1213,1011,1012,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 120 GLU HG+ 119 SER HA 5.50 (# 4728:25 Unique 5.29, 6.18 A)
&rst
ixpk= 4728, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1812,1813,
&end
#
# 0 AMB 25-2:4729 0 AMB 25-1:4729 5.50 (# 4729:25 Double Ambig)
&rst
ixpk= 4729, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1862,1863,1635,1636,
igr2=1796,1669,1670,
&end
#
# 111 HIS HN 110 SER HB+ 4.50 (# 4730:25 Unique 2.68, 3.31 A)
&rst
ixpk= 4730, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1669,1670,
&end
#
# 130 GLN HE2+ 126 GLU HB+ 3.50 (# 4735:25 Unique 2.91, 3.62 A)
&rst
ixpk= 4735, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1979,1980,
igr2=1903,1904,
&end
#
# 0 AMB 25-2:4737 0 AMB 25-1:4737 2.80 (# 4737:25 Double Ambig)
&rst
ixpk= 4737, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1886, 627,
igr2=1888,1889, 629, 630,
&end
#
# 0 AMB 25-2:4738 0 AMB 25-1:4738 2.80 (# 4738:25 Double Ambig)
&rst
ixpk= 4738, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1829,1830,1831,1833,1834,1835, 516, 517, 518, 520,
521, 522,
igr2=1809,1810, 629, 630,
&end
#
# 117 ALA HN 120 GLU HG+ 5.50 (# 4739:25 Unique 4.90, 5.57 A)
&rst
ixpk= 4739, nxpk= 25, iat=1765, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1812,1813,
&end
#
# 120 GLU HA 120 GLU HG- 2.80 (# 4741:25 Unique 2.51, 3.38 A)
&rst
ixpk= 4741, nxpk= 25, iat=1807, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1812,1813,
&end
#
# 117 ALA MB 120 GLU HG+ 5.50 (# 4744:25 Unique 4.54, 5.41 A)
&rst
ixpk= 4744, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1769,1770,1771,
igr2=1812,1813,
&end
#
# 0 AMB 25-2:4745 0 AMB 25-1:4745 4.50 (# 4745:25 Double Ambig)
&rst
ixpk= 4745, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=2145,2146,2147,1769,1770,1771,
igr2=2075,2076,1812,1813,
&end
#
# 0 AMB 25-2:4750 0 AMB 25-1:4750 4.50 (# 4750:25 Double Ambig)
&rst
ixpk= 4750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1876,1877,1212,1213,
igr2=1822,1602,
&end
#
# 121 LEU HB- 121 LEU HA 2.80 (# 4751:25 Unique 2.40, 2.73 A)
&rst
ixpk= 4751, nxpk= 25, iat= -1,1822, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1824,1825,
&end
#
# 0 AMB 25-2:4757 132 LEU HB- 5.50 (# 4757:25 Single Ambig)
&rst
ixpk= 4757, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2024,2026,
igr2=2007,2008,
&end
#
# 0 AMB 25-2:4760 0 AMB 25-1:4760 2.80 (# 4760:25 Double Ambig)
&rst
ixpk= 4760, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1827,2129,1237,1238,
igr2=1824,1825,2126,2127,2126,2127,
&end
#
# 0 AMB 25-2:4762 121 LEU HB- 3.50 (# 4762:25 Single Ambig)
&rst
ixpk= 4762, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1565,1566,1779,1780,
igr2=1824,1825,
&end
#
# 0 AMB 25-2:4763 0 AMB 25-1:4763 2.80 (# 4763:25 Double Ambig)
&rst
ixpk= 4763, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 185, 186, 187,1242,1243,1244,1246,1247,1248,1920,
1921,1922,1829,1830,1831,1833,1834,1835,
igr2=2126,2127,2126,2127,1824,1825,1824,1825,
&end
#
# 0 AMB 25-2:4764 121 LEU HB- 2.80 (# 4764:25 Single Ambig)
&rst
ixpk= 4764, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1920,1921,1922,1829,1830,1831,1833,1834,1835,1568,
1569,1570,
igr2=1824,1825,
&end
#
# 121 LEU MDY 121 LEU HB- 2.80 (# 4765:25 Unique 2.33, 3.37 A)
&rst
ixpk= 4765, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1829,1830,1831,1833,1834,1835,
igr2=1824,1825,
&end
#
# 0 AMB 25-2:4766 0 AMB 25-1:4766 2.80 (# 4766:25 Double Ambig)
&rst
ixpk= 4766, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=2131,2132,2133,2135,2136,2137,1829,1830,1831,1833,
1834,1835,
igr2=2126,2127,1824,1825,
&end
#
# 128 LEU HN 122 LEU HA 5.50 (# 4770:25 Unique 4.99, 5.37 A)
&rst
ixpk= 4770, nxpk= 25, iat=1933,1841, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 SER HA 122 LEU HB- 3.50 (# 4771:25 Unique 2.36, 4.00 A)
&rst
ixpk= 4771, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1843,1844,
&end
#
# 0 AMB 25-2:4774 122 LEU HB- 2.80 (# 4774:25 Single Ambig)
&rst
ixpk= 4774, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 937, 938, 939, 941, 942, 943,1942,1943,1944,1946,
1947,1948,
igr2=1843,1844,
&end
#
# 0 AMB 25-2:4775 122 LEU HG 4.50 (# 4775:25 Single Ambig)
&rst
ixpk= 4775, nxpk= 25, iat= -1,1846, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1777,1796,
&end
#
# 122 LEU HB+ 123 CYS HA 5.50 (# 4777:25 Unique 4.29, 4.79 A)
&rst
ixpk= 4777, nxpk= 25, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1843,1844,
&end
#
# 122 LEU HB- 123 CYS HA 5.50 (# 4778:25 Unique 4.29, 4.79 A)
&rst
ixpk= 4778, nxpk= 25, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1843,1844,
&end
#
# 42 TYR HD 72 CYS HB+ 4.50 (# 4780:25 Unique 2.35, 4.53 A)
&rst
ixpk= 4780, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 662, 671,
igr2=1119,1120,
&end
#
# 0 AMB 25-2:4782 0 AMB 25-1:4782 5.50 (# 4782:25 Double Ambig)
&rst
ixpk= 4782, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1873,1874,1104,1105,
igr2=1862,1863,1119,1120,
&end
#
# 124 GLU HG- 123 CYS HB+ 5.50 (# 4783:25 Unique 3.61, 5.95 A)
&rst
ixpk= 4783, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1876,1877,
igr2=1862,1863,
&end
#
# 71 GLU HN 69 ARG HA 5.50 (# 4784:25 Unique 4.25, 4.41 A)
&rst
ixpk= 4784, nxpk= 25, iat=1100,1064, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 126 GLU HN 124 GLU HA 3.50 (# 4785:25 Unique 3.55, 3.60 A)
&rst
ixpk= 4785, nxpk= 25, iat=1899,1871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:4786 0 AMB 25-1:4786 5.50 (# 4786:25 Double Ambig)
&rst
ixpk= 4786, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 551, 552,1862,1863,
igr2= 540,1871,
&end
#
# 0 AMB 25-2:4787 124 GLU HA 5.50 (# 4787:25 Single Ambig)
&rst
ixpk= 4787, nxpk= 25, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1927,1928,1929,1920,1921,1922,
&end
#
# 65 MET ME 65 MET HB+ 4.50 (# 4792:25 Unique 2.17, 3.13 A)
&rst
ixpk= 4792, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1015,1016,1017,
igr2=1008,1009,
&end
#
# 69 ARG HB+ 71 GLU HG+ 3.50 (# 4793:25 Unique 2.22, 3.73 A)
&rst
ixpk= 4793, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1066,1067,
igr2=1107,1108,
&end
#
# 124 GLU HA 125 GLU HA 4.50 (# 4794:25 Unique 4.35, 4.39 A)
&rst
ixpk= 4794, nxpk= 25, iat=1871,1886, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 86 GLN HN 85 GLU HB- 3.50 (# 4802:25 Unique 2.60, 3.46 A)
&rst
ixpk= 4802, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1308,1309,
&end
#
# 130 GLN HE2- 126 GLU HB+ 4.50 (# 4803:25 Unique 2.91, 3.62 A)
&rst
ixpk= 4803, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1979,1980,
igr2=1903,1904,
&end
#
# 86 GLN HN 85 GLU HG+ 5.50 (# 4805:25 Unique 4.31, 4.87 A)
&rst
ixpk= 4805, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1311,1312,
&end
#
# 86 GLN HN 85 GLU HG+ 5.50 (# 4806:25 Unique 4.31, 4.87 A)
&rst
ixpk= 4806, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1311,1312,
&end
#
# 15 ILE HN 15 ILE HB 3.50 (# 4807:25 Unique 2.36, 2.47 A)
&rst
ixpk= 4807, nxpk= 25, iat= 225, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 SER HB+ 16 HIS HB+ 5.50 (# 4808:25 Unique 3.73, 5.43 A)
&rst
ixpk= 4808, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 265, 266,
igr2= 248, 249,
&end
#
# 36 ASN HN 35 LYS HB- 5.50 (# 4814:25 Unique 3.96, 4.31 A)
&rst
ixpk= 4814, nxpk= 25, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 542, 543,
&end
#
# 24 ALA MB 21 TRP HB+ 4.50 (# 4815:25 Unique 3.69, 4.82 A)
&rst
ixpk= 4815, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 376, 377, 378,
igr2= 320, 321,
&end
#
# 22 GLN HN 21 TRP HB+ 5.50 (# 4818:25 Unique 3.21, 3.98 A)
&rst
ixpk= 4818, nxpk= 25, iat= 340, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 320, 321,
&end
#
# 68 ALA HN 103 LEU HB- 5.50 (# 4819:25 Unique 4.80, 6.19 A)
&rst
ixpk= 4819, nxpk= 25, iat=1052, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1585,1586,
&end
#
# 115 ILE HB 103 LEU MDX 4.50 (# 4824:25 Unique 3.82, 5.49 A)
&rst
ixpk= 4824, nxpk= 25, iat=1733, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 111 HIS HB- 103 LEU MDX 5.50 (# 4825:25 Unique 3.34, 5.65 A)
&rst
ixpk= 4825, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1680,1681,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 105 ALA HA 103 LEU MDY 5.50 (# 4827:25 Unique 4.07, 6.02 A)
&rst
ixpk= 4827, nxpk= 25, iat=1613, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 79 MET HA 103 LEU MDY 4.50 (# 4828:25 Unique 4.26, 5.92 A)
&rst
ixpk= 4828, nxpk= 25, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1590,1591,1592,1594,1595,1596,
&end
#
# 44 GLN HE2- 22 GLN HA 4.50 (# 4831:25 Unique 4.80, 5.47 A)
&rst
ixpk= 4831, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 706, 707,
&end
#
# 44 GLN HE2- 25 ILE HG1- 5.50 (# 4839:25 Unique 6.15, 7.40 A)
&rst
ixpk= 4839, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 706, 707,
igr2= 392, 393,
&end
#
# 47 LYS HN 25 ILE QD1 5.50 (# 4841:25 Unique 2.94, 4.13 A)
&rst
ixpk= 4841, nxpk= 25, iat= 740, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 395, 396, 397,
&end
#
# 28 SER HB+ 25 ILE QD1 5.50 (# 4844:25 Unique 4.78, 6.55 A)
&rst
ixpk= 4844, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 437, 438,
igr2= 395, 396, 397,
&end
#
# 66 PRO HD- 25 ILE QD1 5.50 (# 4845:25 Unique 5.76, 7.55 A)
&rst
ixpk= 4845, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1022,1023,
igr2= 395, 396, 397,
&end
#
# 43 ILE HN 25 ILE QG2 5.50 (# 4846:25 Unique 5.75, 6.47 A)
&rst
ixpk= 4846, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 388, 389, 390,
&end
#
# 27 PHE HN 26 ASP HB+ 3.50 (# 4848:25 Unique 2.38, 3.22 A)
&rst
ixpk= 4848, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 405, 406,
&end
#
# 26 ASP HN 26 ASP HB+ 3.50 (# 4849:25 Unique 2.44, 2.56 A)
&rst
ixpk= 4849, nxpk= 25, iat= 401, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 405, 406,
&end
#
# 79 MET HN 6 TYR HB- 4.50 (# 4850:25 Unique 2.90, 3.64 A)
&rst
ixpk= 4850, nxpk= 25, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 91, 92,
&end
#
# 25 ILE QG2 29 MET HG+ 4.50 (# 4851:25 Unique 2.23, 3.53 A)
&rst
ixpk= 4851, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 388, 389, 390,
igr2= 451, 452,
&end
#
# 66 PRO HB+ 29 MET ME 4.50 (# 4853:25 Unique 2.91, 5.22 A)
&rst
ixpk= 4853, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1028,1029,
igr2= 455, 456, 457,
&end
#
# 66 PRO HD+ 29 MET ME 5.50 (# 4854:25 Unique 3.55, 5.77 A)
&rst
ixpk= 4854, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1022,1023,
igr2= 455, 456, 457,
&end
#
# 67 HIS HB- 29 MET ME 5.50 (# 4855:25 Unique 3.19, 5.03 A)
&rst
ixpk= 4855, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1039,1040,
igr2= 455, 456, 457,
&end
#
# 67 HIS HN 29 MET ME 5.50 (# 4858:25 Unique 2.59, 3.91 A)
&rst
ixpk= 4858, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 455, 456, 457,
&end
#
# 0 AMB 25-2:4859 29 MET ME 5.50 (# 4859:25 Single Ambig)
&rst
ixpk= 4859, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1226,1227,1602,
igr2= 455, 456, 457,
&end
#
# 0 AMB 25-2:4860 30 VAL HA 5.50 (# 4860:25 Single Ambig)
&rst
ixpk= 4860, nxpk= 25, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 448, 449, 685, 686, 492, 493,
&end
#
# 33 LEU MDY 30 VAL HA 5.50 (# 4861:25 Unique 3.12, 5.11 A)
&rst
ixpk= 4861, nxpk= 25, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 516, 517, 518, 520, 521, 522,
&end
#
# 31 SER HN 30 VAL MGX 4.50 (# 4863:25 Unique 2.45, 3.90 A)
&rst
ixpk= 4863, nxpk= 25, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 31 SER HA 30 VAL MGX 5.50 (# 4864:25 Unique 3.54, 4.74 A)
&rst
ixpk= 4864, nxpk= 25, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 38 ILE HN 32 LEU HA 5.50 (# 4867:25 Unique 4.54, 4.91 A)
&rst
ixpk= 4867, nxpk= 25, iat= 595, 490, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 LEU HN 32 LEU HB- 5.50 (# 4868:25 Unique 2.44, 3.10 A)
&rst
ixpk= 4868, nxpk= 25, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 492, 493,
&end
#
# 0 AMB 25-2:4871 32 LEU MDY 4.50 (# 4871:25 Single Ambig)
&rst
ixpk= 4871, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 601, 602, 603, 605, 606,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 38 ILE QD1 32 LEU MDY 4.50 (# 4872:25 Unique 2.76, 5.79 A)
&rst
ixpk= 4872, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 608, 609, 610,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 25-2:4874 0 AMB 25-1:4874 5.50 (# 4874:25 Double Ambig)
&rst
ixpk= 4874, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 528, 562,
igr2= 545, 546, 545, 546,
&end
#
# 0 AMB 25-2:4879 38 ILE HA 5.50 (# 4879:25 Single Ambig)
&rst
ixpk= 4879, nxpk= 25, iat= -1, 597, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 516, 517, 518, 520, 521, 522, 514,
&end
#
# 0 AMB 25-2:4880 0 AMB 25-1:4880 5.50 (# 4880:25 Double Ambig)
&rst
ixpk= 4880, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 569, 570, 582, 591,
igr2=1169,1170,1169,1170,
&end
#
# 0 AMB 25-2:4882 38 ILE QD1 4.50 (# 4882:25 Single Ambig)
&rst
ixpk= 4882, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 490, 656, 618, 619,
igr2= 608, 609, 610,
&end
#
# 53 ASN HN 50 THR HA 4.50 (# 4884:25 Unique 3.27, 3.82 A)
&rst
ixpk= 4884, nxpk= 25, iat= 832, 787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ILE HG1+ 43 ILE HA 5.50 (# 4885:25 Unique 2.70, 4.05 A)
&rst
ixpk= 4885, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 731, 732,
&end
#
# 29 MET HG+ 43 ILE QD1 4.50 (# 4888:25 Unique 3.35, 4.96 A)
&rst
ixpk= 4888, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 451, 452,
igr2= 688, 689, 690,
&end
#
# 44 GLN HN 43 ILE QD1 5.50 (# 4889:25 Unique 4.80, 5.70 A)
&rst
ixpk= 4889, nxpk= 25, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 688, 689, 690,
&end
#
# 104 SER HB+ 46 ILE QD1 5.50 (# 4890:25 Unique 6.18, 7.74 A)
&rst
ixpk= 4890, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1604,1605,
igr2= 734, 735, 736,
&end
#
# 42 TYR HB- 46 ILE QD1 5.50 (# 4892:25 Unique 4.61, 6.56 A)
&rst
ixpk= 4892, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 658, 659,
igr2= 734, 735, 736,
&end
#
# 67 HIS HB- 46 ILE QD1 4.50 (# 4893:25 Unique 3.98, 5.53 A)
&rst
ixpk= 4893, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1039,1040,
igr2= 734, 735, 736,
&end
#
# 54 GLY HA+ 50 THR MG2 5.50 (# 4895:25 Unique 2.17, 4.67 A)
&rst
ixpk= 4895, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 848, 849,
igr2= 791, 792, 793,
&end
#
# 66 PRO HD- 64 ALA MB 5.50 (# 4900:25 Unique 2.53, 4.41 A)
&rst
ixpk= 4900, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1022,1023,
igr2= 998, 999,1000,
&end
#
# 85 GLU HA 83 LEU MDY 4.50 (# 4901:25 Unique 2.57, 5.18 A)
&rst
ixpk= 4901, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 122 LEU MDX 65 MET HG+ 5.50 (# 4904:25 Unique 2.49, 5.75 A)
&rst
ixpk= 4904, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1848,1849,1850,1852,1853,1854,
igr2=1011,1012,
&end
#
# 0 AMB 25-2:4905 0 AMB 25-1:4905 5.50 (# 4905:25 Double Ambig)
&rst
ixpk= 4905, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1742,1743,1744,1590,1591,1592,1594,1595,1596,
igr2=1011,1012,1011,1012,
&end
#
# 45 ALA MB 68 ALA HA 4.50 (# 4909:25 Unique 5.00, 5.71 A)
&rst
ixpk= 4909, nxpk= 25, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 715, 716, 717,
&end
#
# 59 LEU HB- 60 ALA HA 4.50 (# 4910:25 Unique 4.82, 5.03 A)
&rst
ixpk= 4910, nxpk= 25, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 932, 933,
&end
#
# 67 HIS HD2 68 ALA HA 5.50 (# 4912:25 Unique 5.03, 5.30 A)
&rst
ixpk= 4912, nxpk= 25, iat=1048,1054, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:4915 68 ALA MB 4.50 (# 4915:25 Single Ambig)
&rst
ixpk= 4915, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1117, 713, 778, 779,
igr2=1056,1057,1058,
&end
#
# 0 AMB 25-2:4917 70 PRO HA 4.50 (# 4917:25 Single Ambig)
&rst
ixpk= 4917, nxpk= 25, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1135,1645,
&end
#
# 71 GLU HA 70 PRO HB+ 4.50 (# 4918:25 Unique 3.88, 4.37 A)
&rst
ixpk= 4918, nxpk= 25, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1093,1094,
&end
#
# 0 AMB 25-2:4920 0 AMB 25-1:4920 5.50 (# 4920:25 Double Ambig)
&rst
ixpk= 4920, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1645,1135,
igr2=1093,1094,1093,1094,
&end
#
# 71 GLU HA 70 PRO HB- 4.50 (# 4921:25 Unique 3.88, 4.37 A)
&rst
ixpk= 4921, nxpk= 25, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1093,1094,
&end
#
# 0 AMB 25-2:4926 74 ALA HA 5.50 (# 4926:25 Single Ambig)
&rst
ixpk= 4926, nxpk= 25, iat= -1,1135, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1166,1167,1169,1170,
&end
#
# 0 AMB 25-2:4927 74 ALA MB 3.50 (# 4927:25 Single Ambig)
&rst
ixpk= 4927, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1602,1102,
igr2=1137,1138,1139,
&end
#
# 135 SER HA 14 VAL MGY 4.50 (# 4942:25 Unique 2.67, 5.24 A)
&rst
ixpk= 4942, nxpk= 25, iat=2048, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 14 VAL HN 14 VAL MGY 3.50 (# 4943:25 Unique 2.25, 4.15 A)
&rst
ixpk= 4943, nxpk= 25, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 83 LEU HN 14 VAL MGY 4.50 (# 4944:25 Unique 3.80, 5.26 A)
&rst
ixpk= 4944, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 15 ILE HN 14 VAL MGY 4.50 (# 4945:25 Unique 2.65, 4.21 A)
&rst
ixpk= 4945, nxpk= 25, iat= 225, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 136 SER HN 14 VAL MGY 4.50 (# 4946:25 Unique 2.96, 5.05 A)
&rst
ixpk= 4946, nxpk= 25, iat=2057, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 137 GLU HA 14 VAL MGY 2.80 (# 4948:25 Unique 2.17, 4.50 A)
&rst
ixpk= 4948, nxpk= 25, iat=2070, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 137 GLU HG- 14 VAL MGY 3.50 (# 4949:25 Unique 2.20, 5.41 A)
&rst
ixpk= 4949, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2075,2076,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 0 AMB 25-2:4950 14 VAL MGY 2.80 (# 4950:25 Single Ambig)
&rst
ixpk= 4950, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1270,1271, 213,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 83 LEU MDX 14 VAL MGY 2.80 (# 4952:25 Unique 2.22, 5.44 A)
&rst
ixpk= 4952, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1275,1276,1277,1279,1280,1281,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 83 LEU HB- 14 VAL MGY 2.80 (# 4953:25 Unique 2.29, 4.18 A)
&rst
ixpk= 4953, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1270,1271,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 37 TYR HA 76 LYS HD- 4.50 (# 4958:25 Unique 2.43, 4.06 A)
&rst
ixpk= 4958, nxpk= 25, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1172,1173,
&end
#
# 77 THR HN 76 LYS HD- 5.50 (# 4960:25 Unique 4.86, 5.51 A)
&rst
ixpk= 4960, nxpk= 25, iat=1184, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1172,1173,
&end
#
# 0 AMB 25-2:4961 76 LYS HE- 2.80 (# 4961:25 Single Ambig)
&rst
ixpk= 4961, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1166,1167,1172,1173,1169,1170,
igr2=1175,1176,
&end
#
# 105 ALA HA 77 THR HA 3.50 (# 4963:25 Unique 1.91, 1.94 A)
&rst
ixpk= 4963, nxpk= 25, iat=1613,1186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 LYS HB+ 77 THR HB 4.50 (# 4966:25 Unique 4.59, 5.24 A)
&rst
ixpk= 4966, nxpk= 25, iat= -1,1188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1166,1167,
&end
#
# 103 LEU MDX 79 MET HA 5.50 (# 4968:25 Unique 4.26, 5.92 A)
&rst
ixpk= 4968, nxpk= 25, iat= -1,1207, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 103 LEU MDX 79 MET HG- 5.50 (# 4970:25 Unique 3.22, 4.62 A)
&rst
ixpk= 4970, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1212,1213,
&end
#
# 114 ALA MB 79 MET HG- 5.50 (# 4971:25 Unique 2.59, 4.22 A)
&rst
ixpk= 4971, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1723,1724,1725,
igr2=1212,1213,
&end
#
# 144 ILE QD1 81 LEU HB- 5.50 (# 4981:25 Unique 2.20, 5.22 A)
&rst
ixpk= 4981, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2195,2196,2197,
igr2=1237,1238,
&end
#
# 144 ILE QD1 81 LEU HB+ 5.50 (# 4982:25 Unique 2.20, 5.22 A)
&rst
ixpk= 4982, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2195,2196,2197,
igr2=1237,1238,
&end
#
# 0 AMB 25-2:4984 82 THR MG2 2.80 (# 4984:25 Single Ambig)
&rst
ixpk= 4984, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1256, 437, 438,
igr2=1258,1259,1260,
&end
#
# 99 LEU HA 82 THR MG2 4.50 (# 4985:25 Unique 4.82, 5.82 A)
&rst
ixpk= 4985, nxpk= 25, iat=1519, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1258,1259,1260,
&end
#
# 84 LEU HN 83 LEU HB+ 5.50 (# 4986:25 Unique 3.81, 4.18 A)
&rst
ixpk= 4986, nxpk= 25, iat=1285, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1270,1271,
&end
#
# 14 VAL HA 83 LEU HB- 4.50 (# 4988:25 Unique 2.28, 3.21 A)
&rst
ixpk= 4988, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1270,1271,
&end
#
# 65 MET HA 64 ALA MB 4.50 (# 4989:25 Unique 4.09, 4.77 A)
&rst
ixpk= 4989, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 998, 999,1000,
&end
#
# 15 ILE QG2 84 LEU HA 3.50 (# 4992:25 Unique 2.84, 4.12 A)
&rst
ixpk= 4992, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 231, 232, 233,
&end
#
# 0 AMB 25-2:4993 84 LEU MDX 4.50 (# 4993:25 Single Ambig)
&rst
ixpk= 4993, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 246, 227,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 17 SER HA 86 GLN HB+ 3.50 (# 4995:25 Unique 2.75, 3.92 A)
&rst
ixpk= 4995, nxpk= 25, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1323,1324,
&end
#
# 85 GLU HN 86 GLN HB+ 5.50 (# 4997:25 Unique 5.04, 5.91 A)
&rst
ixpk= 4997, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1323,1324,
&end
#
# 85 GLU HN 86 GLN HG+ 4.50 (# 4998:25 Unique 4.46, 5.34 A)
&rst
ixpk= 4998, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1326,1327,
&end
#
# 97 ILE HB 87 GLY HA+ 5.50 (# 4999:25 Unique 3.46, 4.59 A)
&rst
ixpk= 4999, nxpk= 25, iat=1480, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1338,1339,
&end
#
# 84 LEU MDX 87 GLY HA+ 5.50 (# 5000:25 Unique 2.13, 5.67 A)
&rst
ixpk= 5000, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1338,1339,
&end
#
# 84 LEU MDX 87 GLY HA- 5.50 (# 5001:25 Unique 2.13, 5.67 A)
&rst
ixpk= 5001, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1338,1339,
&end
#
# 91 PRO HB+ 91 PRO HA 2.80 (# 5003:25 Unique 2.25, 2.55 A)
&rst
ixpk= 5003, nxpk= 25, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1407,1408,
&end
#
# 92 GLY HN 91 PRO HA 3.50 (# 5004:25 Unique 2.15, 2.83 A)
&rst
ixpk= 5004, nxpk= 25, iat=1414,1410, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 PRO HG- 91 PRO HD+ 5.50 (# 5008:25 Unique 3.99, 6.36 A)
&rst
ixpk= 5008, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 857, 858,
igr2=1401,1402,
&end
#
# 95 GLU HN 95 GLU HA 4.50 (# 5009:25 Unique 2.79, 2.92 A)
&rst
ixpk= 5009, nxpk= 25, iat=1447,1449, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 LYS HD+ 96 PRO HB- 5.50 (# 5010:25 Unique 3.66, 6.82 A)
&rst
ixpk= 5010, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1505,1506,
igr2=1469,1470,
&end
#
# 97 ILE HG1- 97 ILE QD1 2.80 (# 5018:25 Unique 2.39, 2.66 A)
&rst
ixpk= 5018, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1486,1487,
igr2=1489,1490,1491,
&end
#
# 97 ILE HG1- 97 ILE QD1 3.50 (# 5019:25 Unique 2.39, 2.66 A)
&rst
ixpk= 5019, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1486,1487,
igr2=1489,1490,1491,
&end
#
# 0 AMB 25-2:5021 98 LYS HA 4.50 (# 5021:25 Single Ambig)
&rst
ixpk= 5021, nxpk= 25, iat= -1,1497, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1526,1527,1528,1530,1531,1532,1545,1546,1547,1549,
1550,1551,2012,2013,2014,2016,2017,2018,2012,2013,
2014,2016,2017,2018,
&end
#
# 122 LEU MDX 65 MET HB- 5.50 (# 5022:25 Unique 2.10, 4.85 A)
&rst
ixpk= 5022, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1848,1849,1850,1852,1853,1854,
igr2=1008,1009,
&end
#
# 98 LYS HE- 98 LYS HB- 4.50 (# 5023:25 Unique 1.99, 3.60 A)
&rst
ixpk= 5023, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1508,1509,
igr2=1499,1500,
&end
#
# 85 GLU HA 98 LYS HB- 5.50 (# 5026:25 Unique 2.81, 4.26 A)
&rst
ixpk= 5026, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1499,1500,
&end
#
# 19 LYS HB+ 19 LYS HG+ 2.80 (# 5027:25 Unique 2.27, 2.66 A)
&rst
ixpk= 5027, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 286, 287,
igr2= 289, 290,
&end
#
# 83 LEU MDY 99 LEU HB+ 4.50 (# 5028:25 Unique 2.39, 5.85 A)
&rst
ixpk= 5028, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1521,1522,
&end
#
# 99 LEU HG 99 LEU HB+ 3.50 (# 5029:25 Unique 2.23, 2.59 A)
&rst
ixpk= 5029, nxpk= 25, iat=1524, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1521,1522,
&end
#
# 0 AMB 25-2:5030 0 AMB 25-1:5030 4.50 (# 5030:25 Double Ambig)
&rst
ixpk= 5030, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1557,1268, 996,
igr2=1540,1541,1540,1541,1540,1541,
&end
#
# 28 SER HA 100 LEU HB- 5.50 (# 5032:25 Unique 3.24, 4.52 A)
&rst
ixpk= 5032, nxpk= 25, iat= 435, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1540,1541,
&end
#
# 66 PRO HD- 100 LEU HB- 5.50 (# 5033:25 Unique 2.26, 3.50 A)
&rst
ixpk= 5033, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1022,1023,
igr2=1540,1541,
&end
#
# 0 AMB 25-2:5034 100 LEU HB- 4.50 (# 5034:25 Single Ambig)
&rst
ixpk= 5034, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 455, 456, 457,1521,1522,
igr2=1540,1541,
&end
#
# 0 AMB 25-2:5035 101 ILE HA 4.50 (# 5035:25 Single Ambig)
&rst
ixpk= 5035, nxpk= 25, iat= -1,1557, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1540,1541,1521,1522,
&end
#
# 65 MET HA 102 GLY HA+ 5.50 (# 5037:25 Unique 4.33, 5.18 A)
&rst
ixpk= 5037, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1576,1577,
&end
#
# 140 LEU MDX 134 ALA MB 2.80 (# 5044:25 Unique 2.54, 4.44 A)
&rst
ixpk= 5044, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=2131,2132,2133,2135,2136,2137,
igr2=2040,2041,2042,
&end
#
# 70 PRO HB+ 105 ALA MB 5.50 (# 5045:25 Unique 4.08, 5.56 A)
&rst
ixpk= 5045, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1093,1094,
igr2=1615,1616,1617,
&end
#
# 110 SER HB+ 105 ALA MB 3.50 (# 5046:25 Unique 2.15, 3.71 A)
&rst
ixpk= 5046, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1669,1670,
igr2=1615,1616,1617,
&end
#
# 143 ILE HN 141 ALA HA 4.50 (# 5057:25 Unique 4.21, 4.43 A)
&rst
ixpk= 5057, nxpk= 25, iat=2163,2143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 LEU HA 117 ALA MB 3.50 (# 5058:25 Unique 2.38, 3.66 A)
&rst
ixpk= 5058, nxpk= 25, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1769,1770,1771,
&end
#
# 130 GLN HN 131 LEU HB+ 5.50 (# 5061:25 Unique 4.61, 5.41 A)
&rst
ixpk= 5061, nxpk= 25, iat=1967, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1988,1989,
&end
#
# 134 ALA MB 133 THR HA 5.50 (# 5062:25 Unique 5.23, 5.82 A)
&rst
ixpk= 5062, nxpk= 25, iat= -1,2024, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2040,2041,2042,
&end
#
# 0 AMB 25-2:5066 0 AMB 25-1:5066 4.50 (# 5066:25 Double Ambig)
&rst
ixpk= 5066, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2050,2051,2070,
igr2=2061,2062,2061,2062,
&end
#
# 135 SER HB+ 136 SER HB+ 4.50 (# 5067:25 Unique 3.91, 5.45 A)
&rst
ixpk= 5067, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2050,2051,
igr2=2061,2062,
&end
#
# 140 LEU MDY 141 ALA HA 5.50 (# 5072:25 Unique 6.43, 7.25 A)
&rst
ixpk= 5072, nxpk= 25, iat= -1,2143, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2131,2132,2133,2135,2136,2137,
&end
#
# 143 ILE HN 143 ILE QD1 3.50 (# 5074:25 Unique 3.39, 4.12 A)
&rst
ixpk= 5074, nxpk= 25, iat=2163, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2176,2177,2178,
&end
#
# 3 LEU HB+ 144 ILE QG2 3.50 (# 5075:25 Unique 2.11, 3.70 A)
&rst
ixpk= 5075, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 49, 50,
igr2=2188,2189,2190,
&end
#
# 0 AMB 25-2:5077 0 AMB 25-1:5077 5.50 (# 5077:25 Double Ambig)
&rst
ixpk= 5077, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1655,1633,
igr2=1680,1681,1680,1681,
&end
#
# 32 LEU HA 32 LEU HB- 4.50 (# 5079:25 Unique 2.47, 2.79 A)
&rst
ixpk= 5079, nxpk= 25, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 492, 493,
&end
#
# 78 GLY HN 78 GLY HA+ 4.50 (# 5124:25 Unique 2.75, 2.82 A)
&rst
ixpk= 5124, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1200,1201,
&end
#
# 78 GLY HN 78 GLY HA- 4.50 (# 5125:25 Unique 2.75, 2.82 A)
&rst
ixpk= 5125, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1200,1201,
&end
#
# 79 MET HN 78 GLY HA+ 3.50 (# 5126:25 Unique 2.49, 2.62 A)
&rst
ixpk= 5126, nxpk= 25, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1200,1201,
&end
#
# 79 MET HN 78 GLY HA- 3.50 (# 5127:25 Unique 2.49, 2.62 A)
&rst
ixpk= 5127, nxpk= 25, iat=1205, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1200,1201,
&end
#
# 6 TYR HD 78 GLY HA+ 5.50 (# 5128:25 Unique 2.73, 5.33 A)
&rst
ixpk= 5128, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 95, 104,
igr2=1200,1201,
&end
#
# 37 TYR HD 78 GLY HA+ 5.50 (# 5130:25 Unique 2.74, 4.90 A)
&rst
ixpk= 5130, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 582, 591,
igr2=1200,1201,
&end
#
# 37 TYR HD 78 GLY HA- 5.50 (# 5135:25 Unique 2.74, 4.90 A)
&rst
ixpk= 5135, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 582, 591,
igr2=1200,1201,
&end
#
# 6 TYR HD 78 GLY HA- 5.50 (# 5138:25 Unique 2.73, 5.33 A)
&rst
ixpk= 5138, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 95, 104,
igr2=1200,1201,
&end
#
# 6 TYR HA 78 GLY HA- 4.50 (# 5141:25 Unique 2.41, 3.43 A)
&rst
ixpk= 5141, nxpk= 25, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1200,1201,
&end
#
# 6 TYR HA 78 GLY HA+ 4.50 (# 5142:25 Unique 2.41, 3.43 A)
&rst
ixpk= 5142, nxpk= 25, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1200,1201,
&end
#
# 6 TYR HB- 78 GLY HA+ 4.50 (# 5145:25 Unique 2.45, 4.29 A)
&rst
ixpk= 5145, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 91, 92,
igr2=1200,1201,
&end
#
# 6 TYR HB- 78 GLY HA- 5.50 (# 5146:25 Unique 2.45, 4.29 A)
&rst
ixpk= 5146, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 91, 92,
igr2=1200,1201,
&end
#
# 79 MET HG- 78 GLY HA+ 5.50 (# 5147:25 Unique 3.61, 4.84 A)
&rst
ixpk= 5147, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1212,1213,
igr2=1200,1201,
&end
#
# 79 MET HG- 78 GLY HA- 5.50 (# 5151:25 Unique 3.61, 4.84 A)
&rst
ixpk= 5151, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1212,1213,
igr2=1200,1201,
&end
#
# 32 LEU MDX 78 GLY HA+ 5.50 (# 5152:25 Unique 2.79, 5.17 A)
&rst
ixpk= 5152, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 497, 498, 499, 501, 502, 503,
igr2=1200,1201,
&end
#
# 95 GLU HN 95 GLU HB- 2.80 (# 5161:25 Unique 2.15, 3.26 A)
&rst
ixpk= 5161, nxpk= 25, iat=1447, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1451,1452,
&end
#
# 137 GLU HN 14 VAL MGY 4.50 (# 5162:25 Unique 2.93, 4.84 A)
&rst
ixpk= 5162, nxpk= 25, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 102 GLY HA- 66 PRO HD+ 5.50 (# 5163:25 Unique 2.56, 4.73 A)
&rst
ixpk= 5163, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1576,1577,
igr2=1022,1023,
&end
#
# 37 TYR HD 77 THR HA 5.50 (# 5167:25 Unique 3.67, 5.89 A)
&rst
ixpk= 5167, nxpk= 25, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 582, 591,
&end
#
# 61 PRO HD- 61 PRO HG+ 3.50 (# 5186:25 Unique 2.33, 2.61 A)
&rst
ixpk= 5186, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 958, 959,
igr2= 961, 962,
&end
#
# 27 PHE HA 30 VAL HB 4.50 (# 5201:25 Unique 2.77, 3.27 A)
&rst
ixpk= 5201, nxpk= 25, iat= 415, 465, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:5202 65 MET HG- 5.50 (# 5202:25 Single Ambig)
&rst
ixpk= 5202, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1742,1743,1744,1590,1591,1592,1594,1595,1596,
igr2=1011,1012,
&end
#
# 33 LEU MDY 43 ILE QD1 4.50 (# 5203:25 Unique 2.25, 4.13 A)
&rst
ixpk= 5203, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 516, 517, 518, 520, 521, 522,
igr2= 688, 689, 690,
&end
#
# 0 AMB 25-2:5204 43 ILE QD1 4.50 (# 5204:25 Single Ambig)
&rst
ixpk= 5204, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 451, 452, 405, 406,
igr2= 688, 689, 690,
&end
#
# 47 LYS HE- 25 ILE QG2 4.50 (# 5205:25 Unique 2.79, 4.04 A)
&rst
ixpk= 5205, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 753, 754,
igr2= 388, 389, 390,
&end
#
# 47 LYS HG+ 25 ILE QD1 3.50 (# 5206:25 Unique 2.34, 3.68 A)
&rst
ixpk= 5206, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 747, 748,
igr2= 395, 396, 397,
&end
#
# 145 SER HN 144 ILE HB 2.80 (# 5208:25 Unique 2.31, 2.59 A)
&rst
ixpk= 5208, nxpk= 25, iat=2201,2186, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 LEU HN 127 ILE HG1- 5.50 (# 5209:25 Unique 5.02, 5.17 A)
&rst
ixpk= 5209, nxpk= 25, iat=1933, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1924,1925,
&end
#
# 1 MET HB+ 5 ASP HB- 4.50 (# 5213:25 Unique 3.60, 5.68 A)
&rst
ixpk= 5213, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 8, 9,
igr2= 79, 80,
&end
#
# 1 MET HB- 5 ASP HB- 4.50 (# 5214:25 Unique 3.60, 5.68 A)
&rst
ixpk= 5214, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 8, 9,
igr2= 79, 80,
&end
#
# 5 ASP HN 5 ASP HB+ 2.80 (# 5216:25 Unique 2.44, 2.51 A)
&rst
ixpk= 5216, nxpk= 25, iat= 75, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 79, 80,
&end
#
# 5 ASP HN 5 ASP HB- 3.50 (# 5217:25 Unique 2.44, 2.51 A)
&rst
ixpk= 5217, nxpk= 25, iat= 75, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 79, 80,
&end
#
# 6 TYR HN 5 ASP HB+ 4.50 (# 5218:25 Unique 2.87, 3.53 A)
&rst
ixpk= 5218, nxpk= 25, iat= 87, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 79, 80,
&end
#
# 6 TYR HN 5 ASP HB- 4.50 (# 5219:25 Unique 2.87, 3.53 A)
&rst
ixpk= 5219, nxpk= 25, iat= 87, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 79, 80,
&end
#
# 96 PRO HD+ 95 GLU HA 2.80 (# 5220:25 Unique 2.06, 2.47 A)
&rst
ixpk= 5220, nxpk= 25, iat= -1,1449, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1463,1464,
&end
#
# 96 PRO HD- 95 GLU HA 2.80 (# 5221:25 Unique 2.06, 2.47 A)
&rst
ixpk= 5221, nxpk= 25, iat= -1,1449, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1463,1464,
&end
#
# 95 GLU HG+ 95 GLU HA 3.50 (# 5223:25 Unique 2.44, 3.61 A)
&rst
ixpk= 5223, nxpk= 25, iat= -1,1449, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1454,1455,
&end
#
# 0 AMB 25-2:5224 95 GLU HA 3.50 (# 5224:25 Single Ambig)
&rst
ixpk= 5224, nxpk= 25, iat= -1,1449, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1451,1452,1451,1452,
&end
#
# 96 PRO HG+ 95 GLU HA 5.50 (# 5225:25 Unique 4.11, 4.58 A)
&rst
ixpk= 5225, nxpk= 25, iat= -1,1449, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1466,1467,
&end
#
# 58 ILE HN 57 TYR HB- 4.50 (# 5229:25 Unique 2.84, 4.07 A)
&rst
ixpk= 5229, nxpk= 25, iat= 909, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 892, 893,
&end
#
# 54 GLY HN 53 ASN HB+ 4.50 (# 5231:25 Unique 2.54, 3.83 A)
&rst
ixpk= 5231, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 836, 837,
&end
#
# 54 GLY HN 53 ASN HB- 4.50 (# 5232:25 Unique 2.54, 3.83 A)
&rst
ixpk= 5232, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 836, 837,
&end
#
# 128 LEU HN 127 ILE HG1+ 5.50 (# 5233:25 Unique 5.02, 5.17 A)
&rst
ixpk= 5233, nxpk= 25, iat=1933, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1924,1925,
&end
#
# 46 ILE HN 46 ILE HG1+ 4.50 (# 5234:25 Unique 2.01, 2.78 A)
&rst
ixpk= 5234, nxpk= 25, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 731, 732,
&end
#
# 67 HIS HN 46 ILE HG1+ 5.50 (# 5235:25 Unique 4.01, 5.12 A)
&rst
ixpk= 5235, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 731, 732,
&end
#
# 46 ILE HA 46 ILE HG1+ 4.50 (# 5237:25 Unique 2.49, 2.83 A)
&rst
ixpk= 5237, nxpk= 25, iat= 723, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 731, 732,
&end
#
# 43 ILE HA 46 ILE HG1+ 5.50 (# 5238:25 Unique 2.70, 4.05 A)
&rst
ixpk= 5238, nxpk= 25, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 731, 732,
&end
#
# 46 ILE QD1 46 ILE HG1+ 3.50 (# 5240:25 Unique 2.35, 2.65 A)
&rst
ixpk= 5240, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 734, 735, 736,
igr2= 731, 732,
&end
#
# 46 ILE QG2 46 ILE HG1+ 3.50 (# 5243:25 Unique 2.36, 3.52 A)
&rst
ixpk= 5243, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 727, 728, 729,
igr2= 731, 732,
&end
#
# 68 ALA MB 46 ILE HG1+ 3.50 (# 5244:25 Unique 2.17, 3.32 A)
&rst
ixpk= 5244, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1056,1057,1058,
igr2= 731, 732,
&end
#
# 45 ALA MB 46 ILE HG1+ 5.50 (# 5246:25 Unique 2.79, 4.76 A)
&rst
ixpk= 5246, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 715, 716, 717,
igr2= 731, 732,
&end
#
# 50 THR MG2 55 PRO HD- 4.50 (# 5247:25 Unique 2.00, 5.24 A)
&rst
ixpk= 5247, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 791, 792, 793,
igr2= 854, 855,
&end
#
# 50 THR MG2 55 PRO HD+ 4.50 (# 5248:25 Unique 2.00, 5.24 A)
&rst
ixpk= 5248, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 791, 792, 793,
igr2= 854, 855,
&end
#
# 55 PRO HB+ 55 PRO HD- 4.50 (# 5250:25 Unique 2.56, 3.70 A)
&rst
ixpk= 5250, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 860, 861,
igr2= 854, 855,
&end
#
# 0 AMB 25-2:5251 55 PRO HD- 5.50 (# 5251:25 Single Ambig)
&rst
ixpk= 5251, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1486,1487,1407,1408,
igr2= 854, 855,
&end
#
# 55 PRO HG- 55 PRO HD- 3.50 (# 5252:25 Unique 2.26, 2.60 A)
&rst
ixpk= 5252, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 857, 858,
igr2= 854, 855,
&end
#
# 55 PRO HG+ 55 PRO HD- 3.50 (# 5253:25 Unique 2.26, 2.60 A)
&rst
ixpk= 5253, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 857, 858,
igr2= 854, 855,
&end
#
# 0 AMB 25-2:5254 0 AMB 25-1:5254 4.50 (# 5254:25 Double Ambig)
&rst
ixpk= 5254, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1384,1385,1401,1402,
igr2= 854, 855, 854, 855,
&end
#
# 91 PRO HD+ 55 PRO HD- 4.50 (# 5255:25 Unique 2.34, 5.20 A)
&rst
ixpk= 5255, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1401,1402,
igr2= 854, 855,
&end
#
# 54 GLY HA- 55 PRO HD- 2.80 (# 5257:25 Unique 2.02, 2.81 A)
&rst
ixpk= 5257, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 848, 849,
igr2= 854, 855,
&end
#
# 54 GLY HA+ 55 PRO HD- 3.50 (# 5258:25 Unique 2.02, 2.81 A)
&rst
ixpk= 5258, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 848, 849,
igr2= 854, 855,
&end
#
# 93 ASN HD2+ 55 PRO HD- 5.50 (# 5259:25 Unique 2.80, 5.45 A)
&rst
ixpk= 5259, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1430,1431,
igr2= 854, 855,
&end
#
# 54 GLY HN 55 PRO HD- 5.50 (# 5260:25 Unique 4.50, 4.89 A)
&rst
ixpk= 5260, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 854, 855,
&end
#
# 38 ILE HG1- 33 LEU MDX 4.50 (# 5262:25 Unique 2.31, 4.87 A)
&rst
ixpk= 5262, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 605, 606,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 33 LEU HB+ 33 LEU MDX 2.80 (# 5263:25 Unique 2.35, 3.42 A)
&rst
ixpk= 5263, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 511, 512,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 0 AMB 25-2:5265 33 LEU MDX 2.80 (# 5265:25 Single Ambig)
&rst
ixpk= 5265, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 632, 633, 511, 512,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 40 GLU HG+ 33 LEU MDX 3.50 (# 5266:25 Unique 2.19, 3.62 A)
&rst
ixpk= 5266, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 632, 633,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 40 GLU HA 33 LEU MDX 3.50 (# 5267:25 Unique 2.48, 4.09 A)
&rst
ixpk= 5267, nxpk= 25, iat= 627, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 33 LEU HA 33 LEU MDX 2.80 (# 5268:25 Unique 2.12, 3.71 A)
&rst
ixpk= 5268, nxpk= 25, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 30 VAL HA 33 LEU MDX 5.50 (# 5270:25 Unique 3.12, 5.11 A)
&rst
ixpk= 5270, nxpk= 25, iat= 463, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 38 ILE HG1+ 33 LEU MDX 3.50 (# 5273:25 Unique 2.31, 4.87 A)
&rst
ixpk= 5273, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 605, 606,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 33 LEU HA 33 LEU HB+ 3.50 (# 5275:25 Unique 2.48, 2.77 A)
&rst
ixpk= 5275, nxpk= 25, iat= 509, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 511, 512,
&end
#
# 0 AMB 25-2:5276 33 LEU HB- 5.50 (# 5276:25 Single Ambig)
&rst
ixpk= 5276, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 528, 562,
igr2= 511, 512,
&end
#
# 32 LEU HA 32 LEU HB+ 4.50 (# 5277:25 Unique 2.47, 2.79 A)
&rst
ixpk= 5277, nxpk= 25, iat= 490, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 492, 493,
&end
#
# 29 MET HA 32 LEU HB+ 5.50 (# 5278:25 Unique 3.34, 4.32 A)
&rst
ixpk= 5278, nxpk= 25, iat= 446, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 492, 493,
&end
#
# 32 LEU HN 32 LEU HG 3.50 (# 5279:25 Unique 2.20, 2.52 A)
&rst
ixpk= 5279, nxpk= 25, iat= 488, 495, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:5283 14 VAL MGX 4.50 (# 5283:25 Single Ambig)
&rst
ixpk= 5283, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1273, 229,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 83 LEU HB- 14 VAL MGX 4.50 (# 5284:25 Unique 2.29, 4.18 A)
&rst
ixpk= 5284, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1270,1271,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 0 AMB 25-2:5285 14 VAL MGX 2.80 (# 5285:25 Single Ambig)
&rst
ixpk= 5285, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1270,1271, 213,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 0 AMB 25-2:5286 14 VAL MGX 4.50 (# 5286:25 Single Ambig)
&rst
ixpk= 5286, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1311,1312,2072,2073,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 85 GLU HG+ 14 VAL MGX 4.50 (# 5287:25 Unique 2.62, 5.34 A)
&rst
ixpk= 5287, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1311,1312,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 0 AMB 25-2:5288 14 VAL MGX 4.50 (# 5288:25 Single Ambig)
&rst
ixpk= 5288, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 227, 246,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 135 SER HA 14 VAL MGX 4.50 (# 5289:25 Unique 2.67, 5.24 A)
&rst
ixpk= 5289, nxpk= 25, iat=2048, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 14 VAL HA 14 VAL MGX 3.50 (# 5290:25 Unique 2.47, 3.17 A)
&rst
ixpk= 5290, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 0 AMB 25-2:5291 14 VAL MGX 4.50 (# 5291:25 Single Ambig)
&rst
ixpk= 5291, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1287,1268,1254,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 14 VAL HN 14 VAL MGX 4.50 (# 5292:25 Unique 2.25, 4.15 A)
&rst
ixpk= 5292, nxpk= 25, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 83 LEU HN 14 VAL MGX 4.50 (# 5293:25 Unique 3.80, 5.26 A)
&rst
ixpk= 5293, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 15 ILE HN 14 VAL MGX 3.50 (# 5294:25 Unique 2.65, 4.21 A)
&rst
ixpk= 5294, nxpk= 25, iat= 225, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 144 ILE QD1 81 LEU MDX 3.50 (# 5295:25 Unique 2.07, 4.25 A)
&rst
ixpk= 5295, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2195,2196,2197,
igr2=1242,1243,1244,1246,1247,1248,
&end
#
# 33 LEU HN 33 LEU MDX 4.50 (# 5297:25 Unique 4.47, 5.11 A)
&rst
ixpk= 5297, nxpk= 25, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 40 GLU HN 33 LEU MDX 2.80 (# 5298:25 Unique 3.02, 4.68 A)
&rst
ixpk= 5298, nxpk= 25, iat= 625, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 98 LYS HN 99 LEU HB+ 5.50 (# 5299:25 Unique 4.51, 5.22 A)
&rst
ixpk= 5299, nxpk= 25, iat=1495, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1521,1522,
&end
#
# 77 THR HN 76 LYS HG+ 5.50 (# 5301:25 Unique 4.21, 4.76 A)
&rst
ixpk= 5301, nxpk= 25, iat=1184, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1169,1170,
&end
#
# 77 THR HN 76 LYS HG- 5.50 (# 5302:25 Unique 4.21, 4.76 A)
&rst
ixpk= 5302, nxpk= 25, iat=1184, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1169,1170,
&end
#
# 76 LYS HN 76 LYS HG- 5.50 (# 5303:25 Unique 3.01, 3.68 A)
&rst
ixpk= 5303, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1169,1170,
&end
#
# 0 AMB 25-2:5304 0 AMB 25-1:5304 4.50 (# 5304:25 Double Ambig)
&rst
ixpk= 5304, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1162, 614,
igr2=1169,1170, 605, 606,
&end
#
# 0 AMB 25-2:5305 0 AMB 25-1:5305 5.50 (# 5305:25 Double Ambig)
&rst
ixpk= 5305, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 507,1143,
igr2= 605, 606,1169,1170,
&end
#
# 0 AMB 25-2:5306 76 LYS HG- 5.50 (# 5306:25 Single Ambig)
&rst
ixpk= 5306, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 569, 570, 582, 591,
igr2=1169,1170,
&end
#
# 121 LEU HN 121 LEU HG 2.80 (# 5307:25 Unique 2.60, 2.68 A)
&rst
ixpk= 5307, nxpk= 25, iat=1820,1827, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 144 ILE QD1 3 LEU MDX 4.50 (# 5308:25 Unique 2.08, 5.70 A)
&rst
ixpk= 5308, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=2195,2196,2197,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 144 ILE QG2 3 LEU MDX 4.50 (# 5309:25 Unique 4.07, 6.56 A)
&rst
ixpk= 5309, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=2188,2189,2190,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 3 LEU HB+ 3 LEU MDX 2.80 (# 5311:25 Unique 2.32, 3.53 A)
&rst
ixpk= 5311, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 49, 50,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 6 TYR HB- 3 LEU MDX 4.50 (# 5312:25 Unique 3.98, 6.73 A)
&rst
ixpk= 5312, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 91, 92,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 147 GLY HA- 3 LEU MDX 4.50 (# 5313:25 Unique 2.13, 4.93 A)
&rst
ixpk= 5313, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2238,2239,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 118 LEU HA 3 LEU MDX 3.50 (# 5314:25 Unique 2.12, 3.98 A)
&rst
ixpk= 5314, nxpk= 25, iat=1777, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 3 LEU HA 3 LEU MDX 2.80 (# 5315:25 Unique 2.21, 3.25 A)
&rst
ixpk= 5315, nxpk= 25, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 6 TYR HD 3 LEU MDX 3.50 (# 5319:25 Unique 3.28, 6.95 A)
&rst
ixpk= 5319, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 95, 104,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 118 LEU HN 3 LEU MDX 4.50 (# 5321:25 Unique 3.57, 5.07 A)
&rst
ixpk= 5321, nxpk= 25, iat=1775, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 0 AMB 25-2:5322 3 LEU MDX 5.50 (# 5322:25 Single Ambig)
&rst
ixpk= 5322, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2236,1765,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 3 LEU HN 3 LEU MDX 4.50 (# 5323:25 Unique 2.05, 3.90 A)
&rst
ixpk= 5323, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 144 ILE QG2 4 SER HB- 4.50 (# 5325:25 Unique 2.26, 4.19 A)
&rst
ixpk= 5325, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2188,2189,2190,
igr2= 68, 69,
&end
#
# 0 AMB 25-2:5326 0 AMB 25-1:5326 2.80 (# 5326:25 Double Ambig)
&rst
ixpk= 5326, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 545, 546, 548, 549,
igr2= 542, 543, 542, 543,
&end
#
# 0 AMB 25-2:5333 100 LEU MDY 3.50 (# 5333:25 Single Ambig)
&rst
ixpk= 5333, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1519,1538,
igr2=1545,1546,1547,1549,1550,1551,
&end
#
# 0 AMB 25-2:5334 100 LEU MDY 2.80 (# 5334:25 Single Ambig)
&rst
ixpk= 5334, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 437, 438,1256,
igr2=1545,1546,1547,1549,1550,1551,
&end
#
# 25 ILE HA 100 LEU MDY 4.50 (# 5335:25 Unique 3.62, 5.93 A)
&rst
ixpk= 5335, nxpk= 25, iat= 384, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1545,1546,1547,1549,1550,1551,
&end
#
# 66 PRO HD+ 100 LEU MDY 4.50 (# 5336:25 Unique 2.16, 5.22 A)
&rst
ixpk= 5336, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1022,1023,
igr2=1545,1546,1547,1549,1550,1551,
&end
#
# 66 PRO HD- 100 LEU MDY 5.50 (# 5338:25 Unique 2.16, 5.22 A)
&rst
ixpk= 5338, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1022,1023,
igr2=1545,1546,1547,1549,1550,1551,
&end
#
# 0 AMB 25-2:5339 100 LEU MDY 5.50 (# 5339:25 Single Ambig)
&rst
ixpk= 5339, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 382,1574,
igr2=1545,1546,1547,1549,1550,1551,
&end
#
# 101 ILE HN 100 LEU MDY 5.50 (# 5340:25 Unique 4.20, 5.92 A)
&rst
ixpk= 5340, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1545,1546,1547,1549,1550,1551,
&end
#
# 0 AMB 25-2:5341 15 ILE HG1- 5.50 (# 5341:25 Single Ambig)
&rst
ixpk= 5341, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 211, 200,
igr2= 235, 236,
&end
#
# 27 PHE HN 25 ILE HA 5.50 (# 5353:25 Unique 4.42, 4.62 A)
&rst
ixpk= 5353, nxpk= 25, iat= 413, 384, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 PHE HN 26 ASP HA 4.50 (# 5354:25 Unique 3.59, 3.60 A)
&rst
ixpk= 5354, nxpk= 25, iat= 413, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 LEU HN 30 VAL HA 5.50 (# 5355:25 Unique 3.84, 4.04 A)
&rst
ixpk= 5355, nxpk= 25, iat= 488, 463, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 ASP HN 32 LEU HA 5.50 (# 5359:25 Unique 4.21, 4.46 A)
&rst
ixpk= 5359, nxpk= 25, iat= 526, 490, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 ASP HN 33 LEU HA 5.50 (# 5360:25 Unique 3.52, 3.55 A)
&rst
ixpk= 5360, nxpk= 25, iat= 526, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 ARG HA 69 ARG HB- 2.80 (# 5361:25 Unique 2.50, 2.81 A)
&rst
ixpk= 5361, nxpk= 25, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1066,1067,
&end
#
# 69 ARG HD+ 69 ARG HB- 3.50 (# 5363:25 Unique 2.28, 3.18 A)
&rst
ixpk= 5363, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1072,1073,
igr2=1066,1067,
&end
#
# 75 LEU MDX 39 SER HB+ 4.50 (# 5365:25 Unique 2.46, 5.30 A)
&rst
ixpk= 5365, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1152,1153,1154,1156,1157,1158,
igr2= 618, 619,
&end
#
# 43 ILE QD1 40 GLU HG+ 3.50 (# 5366:25 Unique 3.13, 5.00 A)
&rst
ixpk= 5366, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 688, 689, 690,
igr2= 632, 633,
&end
#
# 39 SER HB+ 41 ASN HB+ 5.50 (# 5367:25 Unique 2.80, 4.45 A)
&rst
ixpk= 5367, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 618, 619,
igr2= 644, 645,
&end
#
# 0 AMB 25-2:5371 65 MET HB- 5.50 (# 5371:25 Single Ambig)
&rst
ixpk= 5371, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1022,1023,1576,1577,
igr2=1008,1009,
&end
#
# 1 MET HN 1 MET HG+ 4.50 (# 5373:25 Unique 2.87, 5.93 A)
&rst
ixpk= 5373, nxpk= 25, iat= 2, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 2 ARG HN 1 MET HG+ 4.50 (# 5374:25 Unique 2.04, 3.23 A)
&rst
ixpk= 5374, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 100 LEU MDY 66 PRO HB- 5.50 (# 5375:25 Unique 3.89, 6.68 A)
&rst
ixpk= 5375, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1545,1546,1547,1549,1550,1551,
igr2=1028,1029,
&end
#
# 67 HIS HN 67 HIS HB+ 5.50 (# 5381:25 Unique 2.35, 2.99 A)
&rst
ixpk= 5381, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1039,1040,
&end
#
# 67 HIS HN 67 HIS HB- 5.50 (# 5382:25 Unique 2.35, 2.99 A)
&rst
ixpk= 5382, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1039,1040,
&end
#
# 71 GLU HN 69 ARG HB- 4.50 (# 5383:25 Unique 2.59, 3.34 A)
&rst
ixpk= 5383, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1066,1067,
&end
#
# 71 GLU HN 69 ARG HB+ 4.50 (# 5384:25 Unique 2.59, 3.34 A)
&rst
ixpk= 5384, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1066,1067,
&end
#
# 0 AMB 25-2:5385 0 AMB 25-1:5385 5.50 (# 5385:25 Double Ambig)
&rst
ixpk= 5385, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1621,1126,
igr2=1093,1094,1093,1094,
&end
#
# 74 ALA HN 70 PRO HB+ 5.50 (# 5386:25 Unique 4.72, 5.08 A)
&rst
ixpk= 5386, nxpk= 25, iat=1133, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1093,1094,
&end
#
# 70 PRO HB+ 74 ALA MB 4.50 (# 5389:25 Unique 2.97, 4.60 A)
&rst
ixpk= 5389, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1093,1094,
igr2=1137,1138,1139,
&end
#
# 17 SER HA 86 GLN HB- 4.50 (# 5390:25 Unique 2.75, 3.92 A)
&rst
ixpk= 5390, nxpk= 25, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1323,1324,
&end
#
# 86 GLN HG+ 17 SER HB+ 4.50 (# 5391:25 Unique 3.25, 5.32 A)
&rst
ixpk= 5391, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1326,1327,
igr2= 265, 266,
&end
#
# 59 LEU HN 59 LEU MDX 4.50 (# 5393:25 Unique 2.63, 4.22 A)
&rst
ixpk= 5393, nxpk= 25, iat= 928, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 937, 938, 939, 941, 942, 943,
&end
#
# 124 GLU HA 124 GLU HG- 3.50 (# 5411:25 Unique 2.54, 3.30 A)
&rst
ixpk= 5411, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1876,1877,
&end
#
# 101 ILE HN 65 MET HB- 5.50 (# 5417:25 Unique 3.28, 4.27 A)
&rst
ixpk= 5417, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1008,1009,
&end
#
# 103 LEU MDY 67 HIS HB- 5.50 (# 5429:25 Unique 3.95, 5.50 A)
&rst
ixpk= 5429, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1590,1591,1592,1594,1595,1596,
igr2=1039,1040,
&end
#
# 46 ILE HG1+ 68 ALA HA 5.50 (# 5430:25 Unique 3.32, 4.13 A)
&rst
ixpk= 5430, nxpk= 25, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 731, 732,
&end
#
# 0 AMB 25-2:5431 0 AMB 25-1:5431 4.50 (# 5431:25 Double Ambig)
&rst
ixpk= 5431, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1115, 209,
igr2=1056,1057,1058,1258,1259,1260,
&end
#
# 74 ALA MB 70 PRO HB- 4.50 (# 5433:25 Unique 2.97, 4.60 A)
&rst
ixpk= 5433, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1137,1138,1139,
igr2=1093,1094,
&end
#
# 145 SER HB+ 145 SER HA 2.80 (# 5434:25 Unique 2.46, 2.76 A)
&rst
ixpk= 5434, nxpk= 25, iat= -1,2203, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2205,2206,
&end
#
# 3 LEU MDX 3 LEU HB+ 4.50 (# 5435:25 Unique 2.32, 3.53 A)
&rst
ixpk= 5435, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 54, 55, 56, 58, 59, 60,
igr2= 49, 50,
&end
#
# 78 GLY HA+ 6 TYR HB- 4.50 (# 5436:25 Unique 2.45, 4.29 A)
&rst
ixpk= 5436, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1200,1201,
igr2= 91, 92,
&end
#
# 0 AMB 25-2:5437 0 AMB 25-1:5437 4.50 (# 5437:25 Double Ambig)
&rst
ixpk= 5437, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 364, 365, 361, 362,
igr2= 405, 406, 405, 406,
&end
#
# 18 ALA HA 23 GLU HB+ 5.50 (# 5438:25 Unique 3.94, 4.88 A)
&rst
ixpk= 5438, nxpk= 25, iat= 274, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 361, 362,
&end
#
# 19 LYS HE+ 23 GLU HB+ 4.50 (# 5439:25 Unique 2.15, 6.33 A)
&rst
ixpk= 5439, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 295, 296,
igr2= 361, 362,
&end
#
# 18 ALA MB 23 GLU HB+ 2.80 (# 5440:25 Unique 2.27, 4.29 A)
&rst
ixpk= 5440, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 276, 277, 278,
igr2= 361, 362,
&end
#
# 128 LEU HN 127 ILE QD1 5.50 (# 5442:25 Unique 4.58, 5.28 A)
&rst
ixpk= 5442, nxpk= 25, iat=1933, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1927,1928,1929,
&end
#
# 130 GLN HN 127 ILE QD1 5.50 (# 5443:25 Unique 5.41, 6.45 A)
&rst
ixpk= 5443, nxpk= 25, iat=1967, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1927,1928,1929,
&end
#
# 130 GLN HE2+ 127 ILE QD1 5.50 (# 5444:25 Unique 2.40, 4.06 A)
&rst
ixpk= 5444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1979,1980,
igr2=1927,1928,1929,
&end
#
# 130 GLN HE2- 127 ILE QD1 5.50 (# 5445:25 Unique 2.40, 4.06 A)
&rst
ixpk= 5445, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1979,1980,
igr2=1927,1928,1929,
&end
#
# 121 LEU HA 127 ILE QD1 4.50 (# 5446:25 Unique 4.09, 4.93 A)
&rst
ixpk= 5446, nxpk= 25, iat=1822, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1927,1928,1929,
&end
#
# 126 GLU HA 127 ILE QD1 5.50 (# 5447:25 Unique 4.68, 5.51 A)
&rst
ixpk= 5447, nxpk= 25, iat=1901, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1927,1928,1929,
&end
#
# 130 GLN HG+ 127 ILE QD1 5.50 (# 5449:25 Unique 5.01, 6.83 A)
&rst
ixpk= 5449, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1974,1975,
igr2=1927,1928,1929,
&end
#
# 46 ILE HG1+ 66 PRO HA 5.50 (# 5451:25 Unique 4.78, 6.03 A)
&rst
ixpk= 5451, nxpk= 25, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 731, 732,
&end
#
# 5 ASP HN 2 ARG HA 5.50 (# 5455:25 Unique 4.32, 4.65 A)
&rst
ixpk= 5455, nxpk= 25, iat= 75, 23, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 1 MET HA 2 ARG HB+ 5.50 (# 5457:25 Unique 4.49, 5.26 A)
&rst
ixpk= 5457, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 25, 26,
&end
#
# 1 MET HA 2 ARG HB- 4.50 (# 5458:25 Unique 4.49, 5.26 A)
&rst
ixpk= 5458, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 25, 26,
&end
#
# 60 ALA MB 61 PRO HB- 5.50 (# 5461:25 Unique 4.39, 6.13 A)
&rst
ixpk= 5461, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 951, 952, 953,
igr2= 964, 965,
&end
#
# 61 PRO HD- 61 PRO HB- 3.50 (# 5462:25 Unique 2.80, 3.68 A)
&rst
ixpk= 5462, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 958, 959,
igr2= 964, 965,
&end
#
# 61 PRO HD+ 61 PRO HB- 4.50 (# 5463:25 Unique 2.80, 3.68 A)
&rst
ixpk= 5463, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 958, 959,
igr2= 964, 965,
&end
#
# 62 GLY HA+ 61 PRO HB- 4.50 (# 5464:25 Unique 4.45, 5.23 A)
&rst
ixpk= 5464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 973, 974,
igr2= 964, 965,
&end
#
# 62 GLY HN 61 PRO HB- 4.50 (# 5465:25 Unique 3.58, 3.96 A)
&rst
ixpk= 5465, nxpk= 25, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 964, 965,
&end
#
# 71 GLU HN 69 ARG HD+ 5.50 (# 5466:25 Unique 4.05, 5.57 A)
&rst
ixpk= 5466, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1072,1073,
&end
#
# 71 GLU HN 69 ARG HD- 5.50 (# 5467:25 Unique 4.05, 5.57 A)
&rst
ixpk= 5467, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1072,1073,
&end
#
# 69 ARG HN 69 ARG HD+ 5.50 (# 5468:25 Unique 2.88, 4.47 A)
&rst
ixpk= 5468, nxpk= 25, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1072,1073,
&end
#
# 69 ARG HN 69 ARG HD- 4.50 (# 5469:25 Unique 2.88, 4.47 A)
&rst
ixpk= 5469, nxpk= 25, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1072,1073,
&end
#
# 69 ARG HB- 69 ARG HD+ 3.50 (# 5470:25 Unique 2.28, 3.18 A)
&rst
ixpk= 5470, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1066,1067,
igr2=1072,1073,
&end
#
# 69 ARG HB- 69 ARG HD- 3.50 (# 5471:25 Unique 2.28, 3.18 A)
&rst
ixpk= 5471, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1066,1067,
igr2=1072,1073,
&end
#
# 1 MET HA 2 ARG HD+ 4.50 (# 5472:25 Unique 3.51, 4.22 A)
&rst
ixpk= 5472, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 31, 32,
&end
#
# 110 SER HN 107 ASP HB- 5.50 (# 5474:25 Unique 2.70, 3.60 A)
&rst
ixpk= 5474, nxpk= 25, iat=1665, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1635,1636,
&end
#
# 35 LYS HN 35 LYS HE+ 5.50 (# 5475:25 Unique 3.68, 4.85 A)
&rst
ixpk= 5475, nxpk= 25, iat= 538, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 551, 552,
&end
#
# 31 SER HB+ 35 LYS HE+ 4.50 (# 5478:25 Unique 3.36, 5.17 A)
&rst
ixpk= 5478, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 481, 482,
igr2= 551, 552,
&end
#
# 21 TRP HA 20 ASP HB+ 5.50 (# 5479:25 Unique 4.66, 5.35 A)
&rst
ixpk= 5479, nxpk= 25, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 308, 309,
&end
#
# 0 AMB 25-2:5480 0 AMB 25-1:5480 5.50 (# 5480:25 Double Ambig)
&rst
ixpk= 5480, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 289, 290, 320, 321,
igr2= 308, 309, 308, 309,
&end
#
# 88 VAL MGY 20 ASP HB+ 5.50 (# 5481:25 Unique 4.29, 6.67 A)
&rst
ixpk= 5481, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1349,1350,1351,1353,1354,1355,
igr2= 308, 309,
&end
#
# 5 ASP HN 3 LEU HA 5.50 (# 5484:25 Unique 3.35, 3.84 A)
&rst
ixpk= 5484, nxpk= 25, iat= 75, 47, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 TYR HN 3 LEU HA 5.50 (# 5485:25 Unique 3.45, 3.85 A)
&rst
ixpk= 5485, nxpk= 25, iat= 87, 47, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 SER HN 3 LEU HA 4.50 (# 5486:25 Unique 3.49, 3.57 A)
&rst
ixpk= 5486, nxpk= 25, iat= 64, 47, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:5487 0 AMB 25-1:5487 5.50 (# 5487:25 Double Ambig)
&rst
ixpk= 5487, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 66,1777,
igr2= 49, 50, 49, 50,
&end
#
# 147 GLY HN 3 LEU HB+ 5.50 (# 5488:25 Unique 3.12, 4.37 A)
&rst
ixpk= 5488, nxpk= 25, iat=2236, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 49, 50,
&end
#
# 0 AMB 25-2:5490 4 SER HA 5.50 (# 5490:25 Single Ambig)
&rst
ixpk= 5490, nxpk= 25, iat= -1, 66, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 49, 50, 25, 26,
&end
#
# 4 SER HA 7 PHE HB+ 5.50 (# 5495:25 Unique 2.12, 3.69 A)
&rst
ixpk= 5495, nxpk= 25, iat= 66, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 112, 113,
&end
#
# 12 ILE HG1- 7 PHE HB+ 5.50 (# 5496:25 Unique 4.26, 6.27 A)
&rst
ixpk= 5496, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 189, 190,
igr2= 112, 113,
&end
#
# 8 PRO HA 8 PRO HD- 4.50 (# 5499:25 Unique 3.28, 3.80 A)
&rst
ixpk= 5499, nxpk= 25, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 129, 130,
&end
#
# 144 ILE HN 12 ILE QD1 5.50 (# 5502:25 Unique 4.49, 5.48 A)
&rst
ixpk= 5502, nxpk= 25, iat=2182, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 192, 193, 194,
&end
#
# 0 AMB 25-2:5505 12 ILE QD1 5.50 (# 5505:25 Single Ambig)
&rst
ixpk= 5505, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2085, 66,
igr2= 192, 193, 194,
&end
#
# 9 GLU HA 12 ILE QD1 5.50 (# 5506:25 Unique 4.87, 6.86 A)
&rst
ixpk= 5506, nxpk= 25, iat= 144, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 192, 193, 194,
&end
#
# 0 AMB 25-2:5507 12 ILE QD1 5.50 (# 5507:25 Single Ambig)
&rst
ixpk= 5507, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 159,2153,
igr2= 192, 193, 194,
&end
#
# 137 GLU HG+ 12 ILE QD1 5.50 (# 5508:25 Unique 3.93, 7.09 A)
&rst
ixpk= 5508, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2075,2076,
igr2= 192, 193, 194,
&end
#
# 81 LEU HB+ 12 ILE QD1 3.50 (# 5509:25 Unique 2.68, 4.31 A)
&rst
ixpk= 5509, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1237,1238,
igr2= 192, 193, 194,
&end
#
# 0 AMB 25-2:5512 15 ILE QG2 5.50 (# 5512:25 Single Ambig)
&rst
ixpk= 5512, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 265, 266, 202, 203,
igr2= 231, 232, 233,
&end
#
# 14 VAL HA 15 ILE QG2 5.50 (# 5515:25 Unique 5.86, 6.32 A)
&rst
ixpk= 5515, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 231, 232, 233,
&end
#
# 17 SER HA 15 ILE QG2 4.50 (# 5516:25 Unique 3.06, 4.06 A)
&rst
ixpk= 5516, nxpk= 25, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 231, 232, 233,
&end
#
# 84 LEU HA 15 ILE QG2 5.50 (# 5517:25 Unique 2.84, 4.12 A)
&rst
ixpk= 5517, nxpk= 25, iat=1287, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 231, 232, 233,
&end
#
# 85 GLU HN 15 ILE QG2 5.50 (# 5521:25 Unique 3.94, 5.26 A)
&rst
ixpk= 5521, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 231, 232, 233,
&end
#
# 83 LEU HN 15 ILE QG2 5.50 (# 5522:25 Unique 6.37, 6.80 A)
&rst
ixpk= 5522, nxpk= 25, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 231, 232, 233,
&end
#
# 18 ALA HN 15 ILE QG2 5.50 (# 5523:25 Unique 3.63, 4.56 A)
&rst
ixpk= 5523, nxpk= 25, iat= 272, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 231, 232, 233,
&end
#
# 17 SER HA 16 HIS HB+ 5.50 (# 5524:25 Unique 4.70, 5.38 A)
&rst
ixpk= 5524, nxpk= 25, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 248, 249,
&end
#
# 21 TRP HA 18 ALA MB 5.50 (# 5525:25 Unique 4.00, 5.03 A)
&rst
ixpk= 5525, nxpk= 25, iat= 318, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 276, 277, 278,
&end
#
# 20 ASP HA 18 ALA MB 5.50 (# 5526:25 Unique 3.49, 5.36 A)
&rst
ixpk= 5526, nxpk= 25, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 276, 277, 278,
&end
#
# 21 TRP HN 18 ALA MB 5.50 (# 5529:25 Unique 4.94, 6.30 A)
&rst
ixpk= 5529, nxpk= 25, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 276, 277, 278,
&end
#
# 88 VAL HN 18 ALA MB 5.50 (# 5530:25 Unique 4.25, 5.82 A)
&rst
ixpk= 5530, nxpk= 25, iat=1343, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 276, 277, 278,
&end
#
# 0 AMB 25-2:5531 18 ALA MB 5.50 (# 5531:25 Single Ambig)
&rst
ixpk= 5531, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1359, 413,
igr2= 276, 277, 278,
&end
#
# 27 PHE HB+ 18 ALA MB 5.50 (# 5532:25 Unique 3.51, 5.09 A)
&rst
ixpk= 5532, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 417, 418,
igr2= 276, 277, 278,
&end
#
# 26 ASP HB- 18 ALA MB 5.50 (# 5533:25 Unique 5.93, 7.73 A)
&rst
ixpk= 5533, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 405, 406,
igr2= 276, 277, 278,
&end
#
# 0 AMB 25-2:5534 18 ALA MB 5.50 (# 5534:25 Single Ambig)
&rst
ixpk= 5534, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1338,1339, 308, 309,
igr2= 276, 277, 278,
&end
#
# 15 ILE QD1 18 ALA MB 5.50 (# 5535:25 Unique 3.88, 6.00 A)
&rst
ixpk= 5535, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 238, 239, 240,
igr2= 276, 277, 278,
&end
#
# 91 PRO HD+ 21 TRP HB- 4.50 (# 5551:25 Unique 2.13, 3.47 A)
&rst
ixpk= 5551, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1401,1402,
igr2= 320, 321,
&end
#
# 138 LYS HN 138 LYS HG- 4.50 (# 5552:25 Unique 2.14, 3.78 A)
&rst
ixpk= 5552, nxpk= 25, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2090,2091,
&end
#
# 20 ASP HN 19 LYS HG- 4.50 (# 5553:25 Unique 3.92, 4.70 A)
&rst
ixpk= 5553, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 289, 290,
&end
#
# 47 LYS HB- 22 GLN HA 5.50 (# 5554:25 Unique 3.58, 4.62 A)
&rst
ixpk= 5554, nxpk= 25, iat= -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 744, 745,
&end
#
# 44 GLN HE2- 22 GLN HG+ 5.50 (# 5557:25 Unique 3.46, 5.15 A)
&rst
ixpk= 5557, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 706, 707,
igr2= 347, 348,
&end
#
# 44 GLN HE2- 22 GLN HG- 5.50 (# 5558:25 Unique 3.46, 5.15 A)
&rst
ixpk= 5558, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 706, 707,
igr2= 347, 348,
&end
#
# 0 AMB 25-2:5559 0 AMB 25-1:5559 3.50 (# 5559:25 Double Ambig)
&rst
ixpk= 5559, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 276, 277, 278, 289, 290,
igr2= 364, 365, 364, 365,
&end
#
# 0 AMB 25-2:5563 25 ILE HA 5.50 (# 5563:25 Single Ambig)
&rst
ixpk= 5563, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 342,1022,1023, 405, 406,
&end
#
# 29 MET HG- 25 ILE HA 5.50 (# 5564:25 Unique 3.60, 4.29 A)
&rst
ixpk= 5564, nxpk= 25, iat= -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 451, 452,
&end
#
# 46 ILE HG1+ 29 MET ME 5.50 (# 5566:25 Unique 4.78, 6.33 A)
&rst
ixpk= 5566, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 731, 732,
igr2= 455, 456, 457,
&end
#
# 0 AMB 25-2:5567 29 MET ME 5.50 (# 5567:25 Single Ambig)
&rst
ixpk= 5567, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1039,1040,1226,1227,1604,1605,
igr2= 455, 456, 457,
&end
#
# 28 SER HA 29 MET ME 5.50 (# 5569:25 Unique 4.68, 5.85 A)
&rst
ixpk= 5569, nxpk= 25, iat= 435, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 455, 456, 457,
&end
#
# 29 MET HN 30 VAL MGX 5.50 (# 5570:25 Unique 3.87, 5.83 A)
&rst
ixpk= 5570, nxpk= 25, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 26 ASP HB+ 30 VAL MGX 5.50 (# 5573:25 Unique 6.21, 7.41 A)
&rst
ixpk= 5573, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 405, 406,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 33 LEU HB- 30 VAL MGX 4.50 (# 5574:25 Unique 3.03, 5.62 A)
&rst
ixpk= 5574, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 511, 512,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 34 ASP HB+ 30 VAL MGX 5.50 (# 5575:25 Unique 2.85, 5.17 A)
&rst
ixpk= 5575, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 530, 531,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 34 ASP HB- 30 VAL MGX 4.50 (# 5576:25 Unique 2.85, 5.17 A)
&rst
ixpk= 5576, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 530, 531,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 33 LEU HN 30 VAL MGX 5.50 (# 5577:25 Unique 4.96, 5.94 A)
&rst
ixpk= 5577, nxpk= 25, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 0 AMB 25-2:5578 30 VAL MGX 4.50 (# 5578:25 Single Ambig)
&rst
ixpk= 5578, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 526, 413,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 29 MET HN 30 VAL MGY 5.50 (# 5579:25 Unique 3.87, 5.83 A)
&rst
ixpk= 5579, nxpk= 25, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 32 LEU HN 30 VAL MGY 5.50 (# 5580:25 Unique 4.99, 5.85 A)
&rst
ixpk= 5580, nxpk= 25, iat= 488, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 35 LYS HN 30 VAL MGY 5.50 (# 5582:25 Unique 6.47, 7.87 A)
&rst
ixpk= 5582, nxpk= 25, iat= 538, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 31 SER HB+ 30 VAL MGY 5.50 (# 5583:25 Unique 3.89, 6.34 A)
&rst
ixpk= 5583, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 481, 482,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 34 ASP HB- 30 VAL MGY 5.50 (# 5584:25 Unique 2.85, 5.17 A)
&rst
ixpk= 5584, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 530, 531,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 34 ASP HB+ 30 VAL MGY 5.50 (# 5585:25 Unique 2.85, 5.17 A)
&rst
ixpk= 5585, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 530, 531,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 26 ASP HB+ 30 VAL MGY 5.50 (# 5586:25 Unique 6.21, 7.41 A)
&rst
ixpk= 5586, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 405, 406,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 29 MET HB- 30 VAL MGY 5.50 (# 5588:25 Unique 5.43, 6.98 A)
&rst
ixpk= 5588, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 448, 449,
igr2= 467, 468, 469, 471, 472, 473,
&end
#
# 6 TYR HN 6 TYR HA 3.50 (# 5589:25 Unique 2.92, 2.95 A)
&rst
ixpk= 5589, nxpk= 25, iat= 87, 89, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 MET HN 6 TYR HA 4.50 (# 5590:25 Unique 3.76, 3.97 A)
&rst
ixpk= 5590, nxpk= 25, iat=1205, 89, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 PHE HN 6 TYR HA 3.50 (# 5591:25 Unique 3.47, 3.53 A)
&rst
ixpk= 5591, nxpk= 25, iat= 108, 89, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 TYR HD 6 TYR HA 3.50 (# 5592:25 Unique 2.90, 3.60 A)
&rst
ixpk= 5592, nxpk= 25, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 95, 104,
&end
#
# 78 GLY HA+ 6 TYR HA 5.50 (# 5596:25 Unique 2.41, 3.43 A)
&rst
ixpk= 5596, nxpk= 25, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1200,1201,
&end
#
# 6 TYR HB+ 6 TYR HA 3.50 (# 5597:25 Unique 2.45, 2.77 A)
&rst
ixpk= 5597, nxpk= 25, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 91, 92,
&end
#
# 6 TYR HB- 6 TYR HA 3.50 (# 5598:25 Unique 2.45, 2.77 A)
&rst
ixpk= 5598, nxpk= 25, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 91, 92,
&end
#
# 79 MET HG- 6 TYR HA 5.50 (# 5599:25 Unique 4.35, 5.42 A)
&rst
ixpk= 5599, nxpk= 25, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1212,1213,
&end
#
# 79 MET HB- 6 TYR HA 5.50 (# 5601:25 Unique 4.38, 5.39 A)
&rst
ixpk= 5601, nxpk= 25, iat= -1, 89, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1209,1210,
&end
#
# 80 SER HB+ 31 SER HB+ 4.50 (# 5602:25 Unique 2.15, 3.80 A)
&rst
ixpk= 5602, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1226,1227,
igr2= 481, 482,
&end
#
# 75 LEU HN 37 TYR HA 5.50 (# 5605:25 Unique 3.85, 3.91 A)
&rst
ixpk= 5605, nxpk= 25, iat=1143, 576, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:5606 37 TYR HA 5.50 (# 5606:25 Single Ambig)
&rst
ixpk= 5606, nxpk= 25, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 601, 602, 603, 605, 606,
&end
#
# 38 ILE QG2 37 TYR HB- 4.50 (# 5607:25 Unique 2.90, 4.21 A)
&rst
ixpk= 5607, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 601, 602, 603,
igr2= 578, 579,
&end
#
# 76 LYS HB+ 37 TYR HB+ 5.50 (# 5608:25 Unique 3.11, 4.65 A)
&rst
ixpk= 5608, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1166,1167,
igr2= 578, 579,
&end
#
# 76 LYS HB+ 37 TYR HB- 5.50 (# 5609:25 Unique 3.11, 4.65 A)
&rst
ixpk= 5609, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1166,1167,
igr2= 578, 579,
&end
#
# 0 AMB 25-2:5610 37 TYR HB- 5.50 (# 5610:25 Single Ambig)
&rst
ixpk= 5610, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 495,1147,1148,
igr2= 578, 579,
&end
#
# 0 AMB 25-2:5611 38 ILE QG2 5.50 (# 5611:25 Single Ambig)
&rst
ixpk= 5611, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 446,1186,
igr2= 601, 602, 603,
&end
#
# 44 GLN HN 40 GLU HA 5.50 (# 5612:25 Unique 4.12, 4.44 A)
&rst
ixpk= 5612, nxpk= 25, iat= 694, 627, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 ASN HN 40 GLU HA 4.50 (# 5613:25 Unique 3.52, 3.56 A)
&rst
ixpk= 5613, nxpk= 25, iat= 640, 627, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:5614 0 AMB 25-1:5614 5.50 (# 5614:25 Double Ambig)
&rst
ixpk= 5614, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1294,1295,1296,1298,1299,1300, 215, 216, 217, 219,
220, 221,
igr2=1308,1309,1308,1309,
&end
#
# 0 AMB 25-2:5616 0 AMB 25-1:5616 5.50 (# 5616:25 Double Ambig)
&rst
ixpk= 5616, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1117, 713,
igr2= 644, 645, 644, 645,
&end
#
# 0 AMB 25-2:5617 41 ASN HB- 5.50 (# 5617:25 Single Ambig)
&rst
ixpk= 5617, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1117, 713,
igr2= 644, 645,
&end
#
# 42 TYR HD 43 ILE QD1 5.50 (# 5618:25 Unique 2.89, 6.96 A)
&rst
ixpk= 5618, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 662, 671,
igr2= 688, 689, 690,
&end
#
# 0 AMB 25-2:5619 43 ILE QD1 5.50 (# 5619:25 Single Ambig)
&rst
ixpk= 5619, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 461, 401,
igr2= 688, 689, 690,
&end
#
# 0 AMB 25-2:5620 43 ILE QG2 5.50 (# 5620:25 Single Ambig)
&rst
ixpk= 5620, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 711, 433,
igr2= 681, 682, 683,
&end
#
# 44 GLN HE2+ 43 ILE QG2 5.50 (# 5621:25 Unique 3.95, 7.01 A)
&rst
ixpk= 5621, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 706, 707,
igr2= 681, 682, 683,
&end
#
# 0 AMB 25-2:5622 43 ILE QG2 4.50 (# 5622:25 Single Ambig)
&rst
ixpk= 5622, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 627, 437, 438,
igr2= 681, 682, 683,
&end
#
# 44 GLN HA 43 ILE QG2 4.50 (# 5623:25 Unique 3.16, 4.82 A)
&rst
ixpk= 5623, nxpk= 25, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 681, 682, 683,
&end
#
# 48 ASP HN 45 ALA MB 5.50 (# 5625:25 Unique 5.36, 5.59 A)
&rst
ixpk= 5625, nxpk= 25, iat= 762, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 715, 716, 717,
&end
#
# 0 AMB 25-2:5626 45 ALA MB 4.50 (# 5626:25 Single Ambig)
&rst
ixpk= 5626, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 649, 650, 740,
igr2= 715, 716, 717,
&end
#
# 0 AMB 25-2:5627 45 ALA MB 4.50 (# 5627:25 Single Ambig)
&rst
ixpk= 5627, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 698, 699, 744, 745,
igr2= 715, 716, 717,
&end
#
# 0 AMB 25-2:5628 46 ILE HA 5.50 (# 5628:25 Single Ambig)
&rst
ixpk= 5628, nxpk= 25, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 395, 396, 397, 747, 748,
&end
#
# 0 AMB 25-2:5629 47 LYS HA 4.50 (# 5629:25 Single Ambig)
&rst
ixpk= 5629, nxpk= 25, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 392, 393, 725,
&end
#
# 52 ASN HN 48 ASP HA 4.50 (# 5631:25 Unique 4.01, 4.10 A)
&rst
ixpk= 5631, nxpk= 25, iat= 818, 764, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 ASN HN 51 ILE QD1 5.50 (# 5633:25 Unique 4.58, 5.75 A)
&rst
ixpk= 5633, nxpk= 25, iat= 818, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 812, 813, 814,
&end
#
# 49 SER HN 52 ASN HB+ 5.50 (# 5635:25 Unique 4.79, 5.72 A)
&rst
ixpk= 5635, nxpk= 25, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 822, 823,
&end
#
# 54 GLY HN 52 ASN HB+ 4.50 (# 5636:25 Unique 3.99, 4.79 A)
&rst
ixpk= 5636, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 822, 823,
&end
#
# 53 ASN HA 52 ASN HB+ 5.50 (# 5638:25 Unique 4.23, 4.70 A)
&rst
ixpk= 5638, nxpk= 25, iat= 834, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 822, 823,
&end
#
# 49 SER HB+ 52 ASN HB+ 4.50 (# 5639:25 Unique 3.66, 5.37 A)
&rst
ixpk= 5639, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 778, 779,
igr2= 822, 823,
&end
#
# 57 TYR HA 56 TYR HB+ 5.50 (# 5642:25 Unique 4.34, 5.45 A)
&rst
ixpk= 5642, nxpk= 25, iat= 890, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 871, 872,
&end
#
# 57 TYR HA 56 TYR HB- 5.50 (# 5643:25 Unique 4.34, 5.45 A)
&rst
ixpk= 5643, nxpk= 25, iat= 890, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 871, 872,
&end
#
# 59 LEU MDX 57 TYR HB+ 5.50 (# 5645:25 Unique 2.85, 6.41 A)
&rst
ixpk= 5645, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 937, 938, 939, 941, 942, 943,
igr2= 892, 893,
&end
#
# 60 ALA HA 58 ILE QG2 5.50 (# 5650:25 Unique 3.65, 4.72 A)
&rst
ixpk= 5650, nxpk= 25, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 915, 916, 917,
&end
#
# 0 AMB 25-2:5651 60 ALA MB 4.50 (# 5651:25 Single Ambig)
&rst
ixpk= 5651, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 961, 962, 964, 965,
igr2= 951, 952, 953,
&end
#
# 122 LEU HA 60 ALA MB 5.50 (# 5654:25 Unique 5.69, 6.74 A)
&rst
ixpk= 5654, nxpk= 25, iat=1841, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 951, 952, 953,
&end
#
# 0 AMB 25-2:5658 12 ILE HA 5.50 (# 5658:25 Single Ambig)
&rst
ixpk= 5658, nxpk= 25, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2126,2127,2192,2193,
&end
#
# 34 ASP HN 33 LEU MDX 5.50 (# 5660:25 Unique 3.50, 5.26 A)
&rst
ixpk= 5660, nxpk= 25, iat= 526, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 36 ASN HN 33 LEU MDX 5.50 (# 5661:25 Unique 4.25, 6.16 A)
&rst
ixpk= 5661, nxpk= 25, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 38 ILE HN 33 LEU MDX 5.50 (# 5662:25 Unique 3.95, 6.09 A)
&rst
ixpk= 5662, nxpk= 25, iat= 595, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 0 AMB 25-2:5663 33 LEU MDX 4.50 (# 5663:25 Single Ambig)
&rst
ixpk= 5663, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 528, 562,
igr2= 516, 517, 518, 520, 521, 522,
&end
#
# 137 GLU HG+ 14 VAL MGX 4.50 (# 5666:25 Unique 2.20, 5.41 A)
&rst
ixpk= 5666, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2075,2076,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 0 AMB 25-2:5667 32 LEU HB- 5.50 (# 5667:25 Single Ambig)
&rst
ixpk= 5667, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 509, 479, 129, 130,
igr2= 492, 493,
&end
#
# 37 TYR HN 32 LEU HB- 5.50 (# 5669:25 Unique 3.94, 4.60 A)
&rst
ixpk= 5669, nxpk= 25, iat= 574, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 492, 493,
&end
#
# 134 ALA HN 143 ILE QD1 5.50 (# 5670:25 Unique 4.84, 5.64 A)
&rst
ixpk= 5670, nxpk= 25, iat=2036, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2176,2177,2178,
&end
#
# 130 GLN HG+ 143 ILE QD1 4.50 (# 5671:25 Unique 4.44, 5.42 A)
&rst
ixpk= 5671, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1974,1975,
igr2=2176,2177,2178,
&end
#
# 130 GLN HG+ 143 ILE QD1 4.50 (# 5672:25 Unique 4.44, 5.42 A)
&rst
ixpk= 5672, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1974,1975,
igr2=2176,2177,2178,
&end
#
# 140 LEU HN 143 ILE QD1 5.50 (# 5673:25 Unique 4.12, 5.37 A)
&rst
ixpk= 5673, nxpk= 25, iat=2122, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2176,2177,2178,
&end
#
# 137 GLU HB- 14 VAL MGY 3.50 (# 5674:25 Unique 2.84, 6.30 A)
&rst
ixpk= 5674, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2072,2073,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 140 LEU HN 14 VAL MGY 5.50 (# 5675:25 Unique 4.34, 6.43 A)
&rst
ixpk= 5675, nxpk= 25, iat=2122, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 13 SER HN 14 VAL MGY 5.50 (# 5676:25 Unique 4.13, 6.33 A)
&rst
ixpk= 5676, nxpk= 25, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 90 PHE HN 58 ILE QD1 5.50 (# 5679:25 Unique 5.18, 6.72 A)
&rst
ixpk= 5679, nxpk= 25, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 922, 923, 924,
&end
#
# 63 VAL HN 58 ILE QD1 5.50 (# 5680:25 Unique 4.09, 5.37 A)
&rst
ixpk= 5680, nxpk= 25, iat= 978, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 922, 923, 924,
&end
#
# 42 TYR HB- 43 ILE QD1 5.50 (# 5681:25 Unique 2.94, 6.05 A)
&rst
ixpk= 5681, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 658, 659,
igr2= 688, 689, 690,
&end
#
# 47 LYS HE- 43 ILE QD1 5.50 (# 5682:25 Unique 4.99, 6.72 A)
&rst
ixpk= 5682, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 753, 754,
igr2= 688, 689, 690,
&end
#
# 0 AMB 25-2:5683 43 ILE QD1 5.50 (# 5683:25 Single Ambig)
&rst
ixpk= 5683, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 465, 386,
igr2= 688, 689, 690,
&end
#
# 38 ILE QG2 43 ILE QD1 4.50 (# 5684:25 Unique 4.93, 6.97 A)
&rst
ixpk= 5684, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 601, 602, 603,
igr2= 688, 689, 690,
&end
#
# 119 SER HN 117 ALA MB 5.50 (# 5687:25 Unique 4.87, 5.44 A)
&rst
ixpk= 5687, nxpk= 25, iat=1794, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1769,1770,1771,
&end
#
# 112 ILE HA 116 GLN HG- 5.50 (# 5688:25 Unique 3.75, 4.44 A)
&rst
ixpk= 5688, nxpk= 25, iat=1695, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1755,1756,
&end
#
# 116 GLN HB+ 112 ILE QG2 4.50 (# 5690:25 Unique 4.13, 5.45 A)
&rst
ixpk= 5690, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1752,1753,
igr2=1699,1700,1701,
&end
#
# 0 AMB 25-2:5693 0 AMB 25-1:5693 4.50 (# 5693:25 Double Ambig)
&rst
ixpk= 5693, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2219,2220, 28, 29,
igr2=2238,2239,2238,2239,
&end
#
# 146 ARG HG- 147 GLY HA- 4.50 (# 5694:25 Unique 3.06, 5.70 A)
&rst
ixpk= 5694, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2219,2220,
igr2=2238,2239,
&end
#
# 144 ILE HN 145 SER HA 5.50 (# 5695:25 Unique 5.16, 5.27 A)
&rst
ixpk= 5695, nxpk= 25, iat=2182,2203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 146 ARG HN 144 ILE HA 4.50 (# 5696:25 Unique 3.79, 4.28 A)
&rst
ixpk= 5696, nxpk= 25, iat=2212,2184, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 145 SER HN 142 ASP HB- 5.50 (# 5697:25 Unique 5.27, 5.46 A)
&rst
ixpk= 5697, nxpk= 25, iat=2201, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2155,2156,
&end
#
# 142 ASP HB- 141 ALA MB 5.50 (# 5698:25 Unique 4.49, 5.73 A)
&rst
ixpk= 5698, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2155,2156,
igr2=2145,2146,2147,
&end
#
# 0 AMB 25-2:5699 0 AMB 25-1:5699 4.50 (# 5699:25 Double Ambig)
&rst
ixpk= 5699, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2182,1805,
igr2=2145,2146,2147,1769,1770,1771,
&end
#
# 6 TYR HD 117 ALA MB 5.50 (# 5700:25 Unique 2.95, 5.04 A)
&rst
ixpk= 5700, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 95, 104,
igr2=1769,1770,1771,
&end
#
# 139 GLN HN 141 ALA MB 5.50 (# 5702:25 Unique 5.15, 6.29 A)
&rst
ixpk= 5702, nxpk= 25, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2145,2146,2147,
&end
#
# 138 LYS HA 141 ALA MB 2.80 (# 5703:25 Unique 2.41, 3.72 A)
&rst
ixpk= 5703, nxpk= 25, iat=2085, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2145,2146,2147,
&end
#
# 0 AMB 25-2:5704 0 AMB 25-1:5704 4.50 (# 5704:25 Double Ambig)
&rst
ixpk= 5704, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=2072,2073,1752,1753,1809,1810,
igr2=2145,2146,2147,1769,1770,1771,
&end
#
# 140 LEU HN 134 ALA HA 5.50 (# 5705:25 Unique 4.88, 5.43 A)
&rst
ixpk= 5705, nxpk= 25, iat=2122,2038, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 GLN HN 133 THR MG2 5.50 (# 5706:25 Unique 5.45, 6.52 A)
&rst
ixpk= 5706, nxpk= 25, iat=1967, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2028,2029,2030,
&end
#
# 78 GLY HN 32 LEU MDX 5.50 (# 5707:25 Unique 4.14, 5.32 A)
&rst
ixpk= 5707, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 8 PRO HD- 32 LEU MDX 5.50 (# 5713:25 Unique 2.82, 5.43 A)
&rst
ixpk= 5713, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 129, 130,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 98 LYS HE+ 132 LEU HA 5.50 (# 5714:25 Unique 3.03, 5.29 A)
&rst
ixpk= 5714, nxpk= 25, iat= -1,2005, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1508,1509,
&end
#
# 130 GLN HN 131 LEU HB- 5.50 (# 5715:25 Unique 4.61, 5.41 A)
&rst
ixpk= 5715, nxpk= 25, iat=1967, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1988,1989,
&end
#
# 133 THR HN 83 LEU MDY 5.50 (# 5717:25 Unique 4.39, 5.81 A)
&rst
ixpk= 5717, nxpk= 25, iat=2022, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 25-2:5719 14 VAL MGY 4.50 (# 5719:25 Single Ambig)
&rst
ixpk= 5719, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1268,1254,
igr2= 215, 216, 217, 219, 220, 221,
&end
#
# 37 TYR HB+ 76 LYS HB- 5.50 (# 5721:25 Unique 3.11, 4.65 A)
&rst
ixpk= 5721, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 578, 579,
igr2=1166,1167,
&end
#
# 0 AMB 25-2:5723 0 AMB 25-1:5723 5.50 (# 5723:25 Double Ambig)
&rst
ixpk= 5723, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1794, 774,
igr2=1735,1736,1737, 727, 728, 729,
&end
#
# 114 ALA MB 79 MET HG+ 4.50 (# 5726:25 Unique 2.59, 4.22 A)
&rst
ixpk= 5726, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1723,1724,1725,
igr2=1212,1213,
&end
#
# 101 ILE HN 81 LEU HA 5.50 (# 5727:25 Unique 4.88, 5.04 A)
&rst
ixpk= 5727, nxpk= 25, iat=1555,1235, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 37 TYR HB+ 32 LEU MDX 5.50 (# 5728:25 Unique 2.55, 4.36 A)
&rst
ixpk= 5728, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 578, 579,
igr2= 497, 498, 499, 501, 502, 503,
&end
#
# 98 LYS HG- 87 GLY HA+ 4.50 (# 5730:25 Unique 2.55, 4.64 A)
&rst
ixpk= 5730, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1502,1503,
igr2=1338,1339,
&end
#
# 63 VAL HN 97 ILE QG2 5.50 (# 5733:25 Unique 3.53, 4.93 A)
&rst
ixpk= 5733, nxpk= 25, iat= 978, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1482,1483,1484,
&end
#
# 100 LEU HN 97 ILE QG2 5.50 (# 5734:25 Unique 4.35, 5.18 A)
&rst
ixpk= 5734, nxpk= 25, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1482,1483,1484,
&end
#
# 134 ALA HN 130 GLN HA 5.50 (# 5736:25 Unique 4.76, 4.95 A)
&rst
ixpk= 5736, nxpk= 25, iat=2036,1969, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:5737 82 THR MG2 4.50 (# 5737:25 Single Ambig)
&rst
ixpk= 5737, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1285,1536,
igr2=1258,1259,1260,
&end
#
# 65 MET HN 65 MET ME 5.50 (# 5739:25 Unique 4.75, 5.75 A)
&rst
ixpk= 5739, nxpk= 25, iat=1004, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1015,1016,1017,
&end
#
# 58 ILE HN 65 MET ME 5.50 (# 5740:25 Unique 5.90, 7.00 A)
&rst
ixpk= 5740, nxpk= 25, iat= 909, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1015,1016,1017,
&end
#
# 57 TYR HD 65 MET ME 5.50 (# 5741:25 Unique 2.74, 5.90 A)
&rst
ixpk= 5741, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 896, 905,
igr2=1015,1016,1017,
&end
#
# 65 MET HA 65 MET ME 5.50 (# 5746:25 Unique 4.63, 5.26 A)
&rst
ixpk= 5746, nxpk= 25, iat=1006, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1015,1016,1017,
&end
#
# 57 TYR HB+ 65 MET ME 5.50 (# 5749:25 Unique 3.29, 6.60 A)
&rst
ixpk= 5749, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 892, 893,
igr2=1015,1016,1017,
&end
#
# 0 AMB 25-2:5750 65 MET ME 4.50 (# 5750:25 Single Ambig)
&rst
ixpk= 5750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1731,1039,1040,
igr2=1015,1016,1017,
&end
#
# 67 HIS HB- 65 MET ME 5.50 (# 5751:25 Unique 5.52, 7.09 A)
&rst
ixpk= 5751, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1039,1040,
igr2=1015,1016,1017,
&end
#
# 0 AMB 25-2:5752 65 MET ME 2.80 (# 5752:25 Single Ambig)
&rst
ixpk= 5752, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1008,1009,1011,1012,
igr2=1015,1016,1017,
&end
#
# 65 MET HG- 65 MET ME 3.50 (# 5753:25 Unique 2.58, 3.78 A)
&rst
ixpk= 5753, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1011,1012,
igr2=1015,1016,1017,
&end
#
# 0 AMB 25-2:5755 65 MET ME 3.50 (# 5755:25 Single Ambig)
&rst
ixpk= 5755, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1561,1562,1563,1739,1740,
igr2=1015,1016,1017,
&end
#
# 43 ILE HA 25 ILE QG2 5.50 (# 5756:25 Unique 3.19, 3.84 A)
&rst
ixpk= 5756, nxpk= 25, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 388, 389, 390,
&end
#
# 26 ASP HA 25 ILE QG2 4.50 (# 5757:25 Unique 3.47, 4.68 A)
&rst
ixpk= 5757, nxpk= 25, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 388, 389, 390,
&end
#
# 67 HIS HN 28 SER HB- 5.50 (# 5758:25 Unique 4.97, 6.22 A)
&rst
ixpk= 5758, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 437, 438,
&end
#
# 78 GLY HA- 77 THR HA 5.50 (# 5759:25 Unique 4.37, 4.45 A)
&rst
ixpk= 5759, nxpk= 25, iat= -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1200,1201,
&end
#
# 117 ALA MB 3 LEU MDX 2.80 (# 5760:25 Unique 2.18, 4.14 A)
&rst
ixpk= 5760, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1769,1770,1771,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 6 TYR HB+ 3 LEU MDX 4.50 (# 5761:25 Unique 3.98, 6.73 A)
&rst
ixpk= 5761, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 91, 92,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 2 ARG HA 3 LEU MDX 5.50 (# 5762:25 Unique 3.45, 5.71 A)
&rst
ixpk= 5762, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 6 TYR HN 3 LEU MDX 5.50 (# 5763:25 Unique 5.08, 6.61 A)
&rst
ixpk= 5763, nxpk= 25, iat= 87, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 4 SER HN 3 LEU MDX 5.50 (# 5764:25 Unique 4.44, 5.56 A)
&rst
ixpk= 5764, nxpk= 25, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 54, 55, 56, 58, 59, 60,
&end
#
# 27 PHE HN 28 SER HB+ 5.50 (# 5765:25 Unique 4.86, 5.48 A)
&rst
ixpk= 5765, nxpk= 25, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 437, 438,
&end
#
# 122 LEU HA 65 MET ME 5.50 (# 5766:25 Unique 6.06, 6.90 A)
&rst
ixpk= 5766, nxpk= 25, iat=1841, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1015,1016,1017,
&end
#
# 118 LEU HN 65 MET ME 5.50 (# 5767:25 Unique 5.22, 6.77 A)
&rst
ixpk= 5767, nxpk= 25, iat=1775, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1015,1016,1017,
&end
#
# 1 MET HG+ 1 MET HA 3.50 (# 5779:25 Unique 2.31, 3.22 A)
&rst
ixpk= 5779, nxpk= 25, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 11, 12,
&end
#
# 37 TYR HD 35 LYS HE+ 4.50 (# 5780:25 Unique 4.69, 7.19 A)
&rst
ixpk= 5780, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 582, 591,
igr2= 551, 552,
&end
#
# 90 PHE HN 96 PRO HA 5.50 (# 5781:25 Unique 3.64, 5.19 A)
&rst
ixpk= 5781, nxpk= 25, iat=1380,1472, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 LEU HN 0 AMB 25-1:5783 5.50 (# 5783:25 Single Ambig)
&rst
ixpk= 5783, nxpk= 25, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1275,1276,1277,1279,1280,1281,1545,1546,1547,1549,
1550,1551,
&end
#
# 85 GLU HN 0 AMB 25-1:5784 5.50 (# 5784:25 Single Ambig)
&rst
ixpk= 5784, nxpk= 25, iat=1304, -1, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr2=1275,1276,1277,1279,1280,1281,1292,
&end
#
# 130 GLN HE2- 126 GLU HG+ 5.50 (# 5785:25 Unique 5.13, 5.76 A)
&rst
ixpk= 5785, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1979,1980,
igr2=1906,1907,
&end
#
# 0 AMB 25-2:5786 0 AMB 25-1:5786 5.50 (# 5786:25 Double Ambig)
&rst
ixpk= 5786, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 569, 570, 582, 591,
igr2= 528,1602,
&end
#
# 130 GLN HG+ 143 ILE QD1 4.50 (# 5788:25 Unique 4.44, 5.42 A)
&rst
ixpk= 5788, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1974,1975,
igr2=2176,2177,2178,
&end
#
# 131 LEU HN 127 ILE QG2 4.50 (# 5789:25 Unique 3.51, 4.67 A)
&rst
ixpk= 5789, nxpk= 25, iat=1984, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1920,1921,1922,
&end
#
# 0 AMB 25-2:5790 0 AMB 25-1:5790 5.50 (# 5790:25 Double Ambig)
&rst
ixpk= 5790, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1268,1287,
igr2=1499,1500,1499,1500,
&end
#
# 50 THR HN 46 ILE HA 5.50 (# 5793:25 Unique 4.08, 4.30 A)
&rst
ixpk= 5793, nxpk= 25, iat= 785, 723, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 GLU HN 20 ASP HA 5.50 (# 5795:25 Unique 4.38, 4.64 A)
&rst
ixpk= 5795, nxpk= 25, iat= 357, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 LYS HN 20 ASP HA 5.50 (# 5797:25 Unique 4.97, 5.25 A)
&rst
ixpk= 5797, nxpk= 25, iat= 282, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:5798 0 AMB 25-1:5798 5.50 (# 5798:25 Double Ambig)
&rst
ixpk= 5798, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 569, 570,1858,
igr2= 540,1871,
&end
#
# 20 ASP HN 19 LYS HG+ 4.50 (# 5799:25 Unique 3.92, 4.70 A)
&rst
ixpk= 5799, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 289, 290,
&end
#
# 20 ASP HN 19 LYS HG+ 4.50 (# 5799:25 Unique 3.36, 4.84 A)
&rst
ixpk= 5799, nxpk= 25, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 289, 290,
&end
#
# 99 LEU HN 98 LYS HB- 4.50 (# 3195:25 Double Ambig 3.71, 4.36 A)
&rst
ixpk= 3195, nxpk= 25, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1499,1500,
&end
#
# 64 ALA HA 65 MET HB- 5.50 (# 5370:25 Double Ambig)
&rst
ixpk= 5370, nxpk= 25, iat= 996, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1008,1009,
&end
#
# 71 GLU HA 71 GLU HG+ 3.50 (# 2134:25 Double Ambig)
&rst
ixpk= 2134, nxpk= 25, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1107,1108,
&end
#
# 57 TYR HB+ 65 MET HB+ 4.50 (# 2133:25 Double Ambig)
&rst
ixpk= 2133, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 892, 893,
igr2=1008,1009,
&end
#
# 59 LEU MDY 65 MET HG- 4.50 (# 2144:25 Double Ambig)
&rst
ixpk= 2144, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 937, 938, 939, 941, 942, 943,
igr2=1011,1012,
&end
#
# 67 HIS HA 67 HIS HB+ 3.50 (# 2241:25 Unique )
&rst
ixpk= 2241, nxpk= 25, iat=1037, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1039,1040,
&end
#
# 67 HIS HA 67 HIS HB- 3.50 (# 2242:25 Unique )
&rst
ixpk= 2242, nxpk= 25, iat=1037, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1039,1040,
&end
#
# 35 LYS HA 35 LYS HD+ 3.50 (# 1144:25 Double Ambig)
&rst
ixpk= 1144, nxpk= 25, iat= 540, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 548, 549,
&end
#
# 0 AMB 25-2:2313 70 PRO HG+ 3.50 (# 2313:25 Double Ambig)
&rst
ixpk= 2313, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1096,1064,
igr2=1090,1091,
&end
#
# 35 LYS HB+ 35 LYS HA 2.80 (# 28:25 Double Ambig)
&rst
ixpk= 28, nxpk= 25, iat= -1, 540, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 542, 543,
&end
#
# 3 LEU HG 3 LEU HB+ 2.80 (# 67:25 Double Ambig)
&rst
ixpk= 67, nxpk= 25, iat= 52, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 49, 50,
&end
#
# 144 ILE HA 3 LEU HG 4.50 (# 81:25 Double Ambig)
&rst
ixpk= 81, nxpk= 25, iat=2184, 52, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 147 GLY HA- 3 LEU HG 3.50 (# 82:25 Double Ambig)
&rst
ixpk= 82, nxpk= 25, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2238,2239,
&end
#
# 26 ASP HA 26 ASP HB+ 2.80 (# 109:25 Double Ambig)
&rst
ixpk= 109, nxpk= 25, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 405, 406,
&end
#
# 23 GLU HA 26 ASP HB+ 3.50 (# 110:25 Double Ambig )
&rst
ixpk= 110, nxpk= 25, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 405, 406,
&end
#
# 9 GLU HA 9 GLU HG+ 2.80 (# 209:25 Double Ambig)
&rst
ixpk= 209, nxpk= 25, iat= 144, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 149, 150,
&end
#
# 10 SER HN 10 SER HA 2.80 (# 214:25 Double Ambig)
&rst
ixpk= 214, nxpk= 25, iat= 157, 159, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:218 10 SER HA 4.50 (# 218:25 Double Ambig)
&rst
ixpk= 218, nxpk= 25, iat= -1, 159, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 146, 147,2072,2073,
&end
#
# 0 AMB 25-2:219 145 SER HA 4.50 (# 219:25 Double Ambig)
&rst
ixpk= 219, nxpk= 25, iat= -1,2203, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 49, 50,2186,
&end
#
# 121 LEU HN 3 LEU HG 5.50 (# 393:25 Double Ambig )
&rst
ixpk= 393, nxpk= 25, iat=1820, 52, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 LYS HG- 19 LYS HA 2.80 (# 526:25 Double Ambig)
&rst
ixpk= 526, nxpk= 25, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 289, 290,
&end
#
# 19 LYS HA 19 LYS HG- 3.50 (# 546:25 Double Ambig)
&rst
ixpk= 546, nxpk= 25, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 289, 290,
&end
#
# 21 TRP HN 21 TRP HB- 4.50 (# 609:25 Double Ambig)
&rst
ixpk= 609, nxpk= 25, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 320, 321,
&end
#
# 32 LEU MDY 8 PRO HG+ 2.80 (# 651:25 Double Ambig)
&rst
ixpk= 651, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 497, 498, 499, 501, 502, 503,
igr2= 132, 133,
&end
#
# 25 ILE HG1- 25 ILE HB 2.80 (# 758:25 Double Ambig)
&rst
ixpk= 758, nxpk= 25, iat= -1, 386, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 392, 393,
&end
#
# 143 ILE HN 143 ILE HG1+ 2.80 (# 766:25 Double Ambig)
&rst
ixpk= 766, nxpk= 25, iat=2163, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2173,2174,
&end
#
# 26 ASP HN 26 ASP HA 2.80 (# 795:25 Double Ambig )
&rst
ixpk= 795, nxpk= 25, iat= 401, 403, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 LEU HB+ 28 SER HB- 3.50 (# 871:25 Double Ambig)
&rst
ixpk= 871, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1540,1541,
igr2= 437, 438,
&end
#
# 29 MET HN 28 SER HB- 4.50 (# 883:25 Double Ambig)
&rst
ixpk= 883, nxpk= 25, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 437, 438,
&end
#
# 117 ALA HN 116 GLN HG+ 4.50 (# 907:25 Double Ambig )
&rst
ixpk= 907, nxpk= 25, iat=1765, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1755,1756,
&end
#
# 32 LEU HG 32 LEU HB+ 3.50 (# 1017:25 Double Ambig )
&rst
ixpk= 1017, nxpk= 25, iat= 495, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 492, 493,
&end
#
# 0 AMB 25-2:1107 34 ASP HB+ 5.50 (# 1107:25 Double Ambig )
&rst
ixpk= 1107, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 463, 481, 482, 490,
igr2= 530, 531,
&end
#
# 35 LYS HB+ 35 LYS HD- 3.50 (# 1148:25 Double Ambig )
&rst
ixpk= 1148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 542, 543,
igr2= 548, 549,
&end
#
# 34 ASP HB+ 35 LYS HE+ 4.50 (# 1155:25 Double Ambi)
&rst
ixpk= 1155, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 530, 531,
igr2= 551, 552,
&end
#
# 9 GLU HN 35 LYS HE+ 4.50 (# 1159:25 Double Ambig)
&rst
ixpk= 1159, nxpk= 25, iat= 142, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 551, 552,
&end
#
# 36 ASN HB- 36 ASN HA 2.80 (# 1166:25 Double Ambig)
&rst
ixpk= 1166, nxpk= 25, iat= -1, 562, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 564, 565,
&end
#
# 0 AMB 25-2:1236 132 LEU HB- 2.80 (# 1236:25 Double Ambig)
&rst
ixpk= 1236, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
2017,2018,1526,1527,1528,1530,1531,1532,
igr2=2007,2008,
&end
#
# 49 SER HB+ 49 SER HA 2.80 (# 1663:25 Double Ambig)
&rst
ixpk= 1663, nxpk= 25, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 778, 779,
&end
#
# 61 PRO HD+ 61 PRO HG- 2.80 (# 2020:25 Double Ambig)
&rst
ixpk= 2020, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 958, 959,
igr2= 961, 962,
&end
#
# 65 MET HN 65 MET HB+ 3.50 (# 2139:25 Double Ambig)
&rst
ixpk= 2139, nxpk= 25, iat=1004, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1008,1009,
&end
#
# 91 PRO HA 91 PRO HG- 4.50 (# 2982:25 Double Ambig)
&rst
ixpk= 2982, nxpk= 25, iat=1410, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1404,1405,
&end
#
# 0 AMB 25-2:3187 98 LYS HB- 2.80 (# 3187:25 Double Ambig)
&rst
ixpk= 3187, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
2017,2018,
igr2=1499,1500,
&end
#
# 98 LYS HB+ 98 LYS HG+ 3.50 (# 3207:25 Double Ambig)
&rst
ixpk= 3207, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1499,1500,
igr2=1502,1503,
&end
#
# 98 LYS HD- 98 LYS HE+ 2.80 (# 3246:25 Double Ambig)
&rst
ixpk= 3246, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1505,1506,
igr2=1508,1509,
&end
#
# 131 LEU HB+ 99 LEU MDX 2.80 (# 3259:25 Double Ambig )
&rst
ixpk= 3259, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1988,1989,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 100 LEU HA 100 LEU MDX 3.50 (# 3299:25 Double Ambig)
&rst
ixpk= 3299, nxpk= 25, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1545,1546,1547,1549,1550,1551,
&end
#
# 0 AMB 25-2:3374 102 GLY HA- 5.50 (# 3374:25 Double Ambig )
&rst
ixpk= 3374, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1028,1029,1540,1541,
igr2=1576,1577,
&end
#
# 0 AMB 25-2:3672 112 ILE HG1- 2.80 (# 3672:25 Double Ambig)
&rst
ixpk= 3672, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1706,1707,1708,1699,1700,1701,
igr2=1703,1704,
&end
#
# 116 GLN HN 115 ILE HG1- 4.50 (# 3774:25 Double Ambig )
&rst
ixpk= 3774, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1739,1740,
&end
#
# 116 GLN HN 116 GLN HB- 2.80 (# 3804:25 Double Ambig )
&rst
ixpk= 3804, nxpk= 25, iat=1748, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1752,1753,
&end
#
# 127 ILE HA 127 ILE QG2 2.80 (# 4017:25 Double Ambig )
&rst
ixpk= 4017, nxpk= 25, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1920,1921,1922,
&end
#
# 140 LEU HG 140 LEU HA 2.80 (# 4308:25 Single Ambig)
&rst
ixpk= 4308, nxpk= 25, iat=2129,2124, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 139 GLN HG+ 143 ILE QD1 3.50 (# 4392:25 Double Ambig )
&rst
ixpk= 4392, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2112,2113,
igr2=2176,2177,2178,
&end
#
# 143 ILE HN 143 ILE QG2 3.50 (# 4399:25 Double Ambig)
&rst
ixpk= 4399, nxpk= 25, iat=2163, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2169,2170,2171,
&end
#
# 0 AMB 25-2:4752 0 AMB 25-1:4752 5.50 (# 4752:25 Double Ambig )
&rst
ixpk= 4752, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1967,1805,
igr2=2007,2008,1824,1825,
&end
#
# 3 LEU MDX 2 ARG HA 4.50 (# 4788:25 Double Ambig)
&rst
ixpk= 4788, nxpk= 25, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 54, 55, 56, 58, 59, 60,
&end
#
# 0 AMB 25-2:4876 35 LYS HE+ 4.50 (# 4876:25 Double Ambig )
&rst
ixpk= 4876, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 129, 130, 479,
igr2= 551, 552,
&end
#
# 127 ILE HN 127 ILE HG1- 3.50 (# 4002:25 Single Ambig)
&rst
ixpk= 4002, nxpk= 25, iat=1914, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1924,1925,
&end
#
# 127 ILE HN 127 ILE HG1+ 3.50 (# 4003:25 Double Ambig )
&rst
ixpk= 4003, nxpk= 25, iat=1914, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1924,1925,
&end
#
# 65 MET ME 115 ILE QD1 3.50 (# 3787:25 Unique 1.98, 3.82 A )
&rst
ixpk= 3787, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1015,1016,1017,
igr2=1742,1743,1744,
&end
#
# 54 GLY HA- 55 PRO HD+ 2.80 (# 1848:25 Unique 1.93, 2.92 A)
&rst
ixpk= 1848, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 848, 849,
igr2= 854, 855,
&end
#
# 54 GLY HA+ 55 PRO HD+ 3.50 (# 1849:25 Unique 1.93, 2.92 A )
&rst
ixpk= 1849, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 848, 849,
igr2= 854, 855,
&end
#
# 102 GLY HA+ 103 LEU HA 5.50 (# 5735:25 Unique 4.34, 4.42 A)
&rst
ixpk= 5735, nxpk= 25, iat= -1,1583, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1576,1577,
&end
#
# 92 GLY HA+ 91 PRO HA 4.50 (# 2957:25 Unique 4.25, 4.46 A)
&rst
ixpk= 2957, nxpk= 25, iat= -1,1410, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1416,1417,
&end
#
# 62 GLY HA+ 98 LYS HB- 5.50 (# 5024:25 Unique 3.85, 5.15 A )
&rst
ixpk= 5024, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 973, 974,
igr2=1499,1500,
&end
#
# 77 THR MG2 78 GLY HA+ 4.50 (# 5148:25 Double Ambig)
&rst
ixpk= 5148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1190,1191,1192,
igr2=1200,1201,
&end
#
# 77 THR MG2 78 GLY HA- 4.50 (# 5150:25 Single Ambig)
&rst
ixpk= 5150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1190,1191,1192,
igr2=1200,1201,
&end
#
# 74 ALA HN 73 GLY HA- 4.50 (# 2352:25 Unique 2.48, 3.32 A)
&rst
ixpk= 2352, nxpk= 25, iat=1133, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1128,1129,
&end
#
# 73 GLY HN 73 GLY HA- 2.80 (# 2353:25 Unique 2.44, 2.77 A)
&rst
ixpk= 2353, nxpk= 25, iat=1126, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1128,1129,
&end
#
# 42 TYR HB- 73 GLY HA- 2.80 (# 2355:25 Unique 1.94, 4.49 A)
&rst
ixpk= 2355, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 658, 659,
igr2=1128,1129,
&end
#
# 42 TYR HB+ 73 GLY HA- 2.80 (# 2356:25 Unique 1.94, 4.49 A)
&rst
ixpk= 2356, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 658, 659,
igr2=1128,1129,
&end
#
# 75 LEU MDY 73 GLY HA- 4.50 (# 2357:25 Unique 3.70, 6.44 A)
&rst
ixpk= 2357, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1152,1153,1154,1156,1157,1158,
igr2=1128,1129,
&end
#
# 73 GLY HA- 42 TYR HB+ 2.80 (# 1408:25 Unique 1.94, 4.49 A)
&rst
ixpk= 1408, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1128,1129,
igr2= 658, 659,
&end
#
# 73 GLY HA- 42 TYR HB- 2.80 (# 1409:25 Unique 1.94, 4.49 A)
&rst
ixpk= 1409, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1128,1129,
igr2= 658, 659,
&end
#
# 72 CYS HB+ 68 ALA MB 3.50 (# 2273:25 Single Ambig)
&rst
ixpk= 2273, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1119,1120,
igr2=1056,1057,1058,
&end
#
# 0 AMB 25-2:4547 70 PRO HA 5.50 (# 4547:25 Single Ambig )
&rst
ixpk= 4547, nxpk= 25, iat= -1,1096, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1119,1120,1680,1681,
&end
#
# 95 GLU HA 96 PRO HA 4.50 (# 3059:25 Unique 4.39, 4.40 A)
&rst
ixpk= 3059, nxpk= 25, iat=1449,1472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 GLU HA 97 ILE QD1 5.50 (# 3146:25 Unique 5.62, 6.88 A)
&rst
ixpk= 3146, nxpk= 25, iat=1449, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1489,1490,1491,
&end
#
# 67 HIS HN 46 ILE QG2 3.50 (# 1586:25 Unique 3.44, 4.69 A)
&rst
ixpk= 1586, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 727, 728, 729,
&end
#
# 139 GLN HB+ 136 SER HB- 5.50 (# 4231:25 Single Ambig )
&rst
ixpk= 4231, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2109,2110,
igr2=2061,2062,
&end
#
# 56 TYR HN 57 TYR HB+ 5.50 (# 1894:25 Unique 4.03, 5.00 A)
&rst
ixpk= 1894, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 892, 893,
&end
#
# 56 TYR HN 57 TYR HB- 5.50 (# 1898:25 Unique 4.03, 5.00 A )
&rst
ixpk= 1898, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 892, 893,
&end
#
# 56 TYR HN 64 ALA MB 5.50 (# 2107:25 Unique 5.10, 6.80 A )
&rst
ixpk= 2107, nxpk= 25, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 998, 999,1000,
&end
#
# 67 HIS HN 25 ILE QD1 5.50 (# 775:25 Unique 4.48, 5.92 A )
&rst
ixpk= 775, nxpk= 25, iat=1035, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 395, 396, 397,
&end
#
# 56 TYR HD 55 PRO HA 5.50 (# 1813:25 Single Ambig)
&rst
ixpk= 1813, nxpk= 25, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 875, 884,
&end
#
# 67 HIS HN 66 PRO HA 3.50 (# 2167:25 Single Ambig )
&rst
ixpk= 2167, nxpk= 25, iat=1035,1031, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 SER HB- 86 GLN HB- 2.80 (# 2823:25 Unique 1.91, 3.03 A)
&rst
ixpk= 2823, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 265, 266,
igr2=1323,1324,
&end
#
# 86 GLN HN 84 LEU HG 5.50 (# 5782:25 Double Ambig)
&rst
ixpk= 5782, nxpk= 25, iat=1319,1292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 GLY HA+ 88 VAL HB 4.50 (# 2870:25 Unique 3.99, 4.66 A)
&rst
ixpk= 2870, nxpk= 25, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1338,1339,
&end
#
# 87 GLY HA+ 88 VAL MGX 4.50 (# 2888:25 Unique 3.35, 6.04 A)
&rst
ixpk= 2888, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1338,1339,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 90 PHE HD 88 VAL MGX 5.50 (# 2885:25 Unique 2.06, 7.55 A )
&rst
ixpk= 2885, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1388,1396,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 90 PHE HD 88 VAL MGY 5.50 (# 2903:25 Unique 2.06, 7.55 A )
&rst
ixpk= 2903, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1388,1396,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 27 PHE HN 24 ALA HA 5.50 (# 734:25 Unique 2.88, 3.54 A )
&rst
ixpk= 734, nxpk= 25, iat= 413, 374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 GLN HA 25 ILE QD1 4.50 (# 780:25 Single Ambig )
&rst
ixpk= 780, nxpk= 25, iat= 342, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 395, 396, 397,
&end
#
# 93 ASN HD2+ 55 PRO HB+ 4.50 (# 1830:25 Double Ambig)
&rst
ixpk= 1830, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1430,1431,
igr2= 860, 861,
&end
#
# 93 ASN HD2+ 55 PRO HD+ 5.50 (# 1850:25 Double Ambig)
&rst
ixpk= 1850, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1430,1431,
igr2= 854, 855,
&end
#
# 93 ASN HD2+ 58 ILE QD1 4.50 (# 1931:25 Unique 1.95, 6.36 A)
&rst
ixpk= 1931, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1430,1431,
igr2= 922, 923, 924,
&end
#
# 98 LYS HE- 83 LEU MDY 3.50 (# 2740:25 Unique 3.06, 6.06 A)
&rst
ixpk= 2740, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1508,1509,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 14 VAL HA 83 LEU MDX 4.50 (# 2774:25 Unique 2.50, 4.71 A )
&rst
ixpk= 2774, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 90 PHE HN 89 TYR HA 2.80 (# 2908:25 Unique 2.12, 3.31 A)
&rst
ixpk= 2908, nxpk= 25, iat=1380,1361, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 ILE HN 89 TYR HA 5.50 (# 2909:25 Unique 3.68, 4.33 A )
&rst
ixpk= 2909, nxpk= 25, iat=1476,1361, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2912 89 TYR HA 4.50 (# 2912:25 Single Ambig )
&rst
ixpk= 2912, nxpk= 25, iat= -1,1361, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1367,1376,1388,1396,
&end
#
# 96 PRO HA 89 TYR HA 5.50 (# 2914:25 Unique 1.90, 3.16 A )
&rst
ixpk= 2914, nxpk= 25, iat=1472,1361, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 PHE HN 96 PRO HB+ 5.50 (# 5165:25 Unique 4.04, 6.23 A)
&rst
ixpk= 5165, nxpk= 25, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1469,1470,
&end
#
# 53 ASN HN 54 GLY HA+ 5.50 (# 1810:25 Unique 3.64, 4.03 A)
&rst
ixpk= 1810, nxpk= 25, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 848, 849,
&end
#
# 53 ASN HN 54 GLY HA- 5.50 (# 1811:25 Unique 3.64, 4.03 A)
&rst
ixpk= 1811, nxpk= 25, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 848, 849,
&end
Contact the webmaster for help, if required. Sunday, April 28, 2024 9:34:18 PM GMT (wattos1)