NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
280902 |
2kdw   |
cing | 1-original | 4 | AMBER | distance | NOE | ambi |
#
# 2 ILE HB 1 MET HA 5.50 (# 1:20 Unique 4.23, 4.69 A)
&rst
ixpk= 1, nxpk= 20, iat= 25, 6, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 0 AMB 20-2:2 0 AMB 20-1:2 3.50 (# 2:20 Double Ambig)
&rst
ixpk= 2, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 863, 864,2213,2214,
igr2= 812,2211,
&end
#
# 0 AMB 20-2:3 1 MET HA 5.50 (# 3:20 Single Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 15, 16, 17, 653, 654,
&end
#
# 2 ILE HG1- 1 MET HA 5.50 (# 4:20 Unique 3.14, 4.49 A)
&rst
ixpk= 4, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 31, 32,
&end
#
# 1 MET HG- 1 MET HA 5.50 (# 5:20 Unique 2.38, 3.33 A)
&rst
ixpk= 5, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 1 MET HG+ 1 MET HA 5.50 (# 6:20 Unique 2.38, 3.33 A)
&rst
ixpk= 6, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 2 ILE HN 1 MET HA 5.50 (# 8:20 Unique 2.16, 2.66 A)
&rst
ixpk= 8, nxpk= 20, iat= 21, 6, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:10 0 AMB 20-1:10 2.80 (# 10:20 Double Ambig)
&rst
ixpk= 10, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 11, 12, 555, 556,
igr2= 8, 9, 8, 9, 589, 590,
&end
#
# 0 AMB 20-2:11 0 AMB 20-1:11 4.50 (# 11:20 Double Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 11, 12, 11, 12, 555, 556,
igr2= 8, 9, 8, 9, 589, 590,
&end
#
# 0 AMB 20-2:12 0 AMB 20-1:12 5.50 (# 12:20 Double Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 650, 651, 650, 651,
igr2= 8, 9, 8, 9,
&end
#
# 1 MET HA 0 AMB 20-1:13 3.50 (# 13:20 Single Ambig)
&rst
ixpk= 13, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 8, 9, 8, 9,
&end
#
# 2 ILE HN 0 AMB 20-1:15 5.50 (# 15:20 Single Ambig)
&rst
ixpk= 15, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 8, 9, 8, 9,
&end
#
# 8 ARG HA 1 MET HG- 5.50 (# 16:20 Unique 4.18, 6.19 A)
&rst
ixpk= 16, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG+ 5.50 (# 19:20 Unique 2.38, 3.33 A)
&rst
ixpk= 19, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG- 5.50 (# 20:20 Unique 2.38, 3.33 A)
&rst
ixpk= 20, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:21 1 MET HG- 5.50 (# 21:20 Single Ambig)
&rst
ixpk= 21, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 129, 130, 129, 130,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:22 0 AMB 20-1:22 5.50 (# 22:20 Double Ambig)
&rst
ixpk= 22, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 129, 130, 129, 130,
igr2= 11, 12, 11, 12,
&end
#
# 0 AMB 20-2:23 0 AMB 20-1:23 4.50 (# 23:20 Double Ambig)
&rst
ixpk= 23, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 8, 9, 8, 9,
igr2= 11, 12, 11, 12,
&end
#
# 0 AMB 20-2:24 1 MET HG- 2.80 (# 24:20 Single Ambig)
&rst
ixpk= 24, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 8, 9, 8, 9,
igr2= 11, 12,
&end
#
# 1 MET ME 1 MET HG+ 5.50 (# 25:20 Unique 2.04, 3.38 A)
&rst
ixpk= 25, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 15, 16, 17,
igr2= 11, 12,
&end
#
# 1 MET ME 1 MET HG- 5.50 (# 26:20 Unique 2.04, 3.38 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 15, 16, 17,
igr2= 11, 12,
&end
#
# 40 ILE QG2 1 MET ME 5.50 (# 27:20 Unique 4.06, 6.61 A)
&rst
ixpk= 27, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 622, 623, 624,
igr2= 15, 16, 17,
&end
#
# 1 MET HG+ 1 MET ME 5.50 (# 28:20 Unique 2.04, 3.38 A)
&rst
ixpk= 28, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 1 MET HG- 1 MET ME 5.50 (# 29:20 Unique 2.04, 3.38 A)
&rst
ixpk= 29, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:31 1 MET ME 5.50 (# 31:20 Single Ambig)
&rst
ixpk= 31, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 23, 6, 665, 666,
igr2= 15, 16, 17,
&end
#
# 3 ASP HA 1 MET ME 5.50 (# 32:20 Unique 2.34, 5.22 A)
&rst
ixpk= 32, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 2 ILE HN 2 ILE HA 5.50 (# 33:20 Unique 2.27, 2.68 A)
&rst
ixpk= 33, nxpk= 20, iat= 21, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ASP HN 2 ILE HA 3.50 (# 34:20 Unique 2.17, 2.31 A)
&rst
ixpk= 34, nxpk= 20, iat= 40, 23, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:35 2 ILE HA 5.50 (# 35:20 Single Ambig)
&rst
ixpk= 35, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 104, 76,
&end
#
# 40 ILE HN 40 ILE HA 5.50 (# 36:20 Unique 2.76, 2.83 A)
&rst
ixpk= 36, nxpk= 20, iat= 616, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ARG HA 2 ILE HA 5.50 (# 37:20 Unique 2.21, 3.05 A)
&rst
ixpk= 37, nxpk= 20, iat= 106, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ASP HA 2 ILE HA 5.50 (# 38:20 Unique 4.32, 4.41 A)
&rst
ixpk= 38, nxpk= 20, iat= 42, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:39 2 ILE HA 5.50 (# 39:20 Single Ambig)
&rst
ixpk= 39, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 129, 130, 129, 130,
&end
#
# 3 ASP HB+ 2 ILE HA 5.50 (# 40:20 Unique 3.93, 4.60 A)
&rst
ixpk= 40, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 44, 45,
&end
#
# 3 ASP HB- 2 ILE HA 5.50 (# 41:20 Unique 3.93, 4.60 A)
&rst
ixpk= 41, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 44, 45,
&end
#
# 0 AMB 20-2:42 0 AMB 20-1:42 5.50 (# 42:20 Double Ambig)
&rst
ixpk= 42, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 11, 12, 639, 640,
igr2= 23, 618,
&end
#
# 0 AMB 20-2:43 0 AMB 20-1:43 5.50 (# 43:20 Double Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 674, 675, 674, 675, 677, 678, 8, 9, 8, 9,
igr2= 618, 23,
&end
#
# 0 AMB 20-2:44 2 ILE HA 5.50 (# 44:20 Single Ambig)
&rst
ixpk= 44, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 132, 133, 108, 109, 108, 109, 111, 112,
&end
#
# 0 AMB 20-2:45 0 AMB 20-1:45 5.50 (# 45:20 Double Ambig)
&rst
ixpk= 45, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 15, 16, 17, 135, 136, 135, 136, 87, 88,
igr2= 23, 618,
&end
#
# 2 ILE HB 2 ILE HA 5.50 (# 46:20 Unique 2.96, 3.01 A)
&rst
ixpk= 46, nxpk= 20, iat= 25, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 ILE HG1- 2 ILE HA 5.50 (# 47:20 Unique 2.28, 3.41 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 31, 32,
&end
#
# 2 ILE HG1+ 2 ILE HA 5.50 (# 48:20 Unique 2.28, 3.41 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 31, 32,
&end
#
# 0 AMB 20-2:49 0 AMB 20-1:49 4.50 (# 49:20 Double Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 34, 35, 36, 626, 627,
igr2= 23, 618,
&end
#
# 2 ILE QG2 2 ILE HA 3.50 (# 50:20 Unique 2.03, 3.01 A)
&rst
ixpk= 50, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 27, 28, 29,
&end
#
# 2 ILE HN 2 ILE HB 5.50 (# 51:20 Unique 2.61, 3.16 A)
&rst
ixpk= 51, nxpk= 20, iat= 21, 25, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ASP HN 2 ILE HB 5.50 (# 52:20 Unique 2.77, 3.65 A)
&rst
ixpk= 52, nxpk= 20, iat= 40, 25, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:53 2 ILE HB 5.50 (# 53:20 Single Ambig)
&rst
ixpk= 53, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 23, 6,
&end
#
# 0 AMB 20-2:55 2 ILE HB 5.50 (# 55:20 Single Ambig)
&rst
ixpk= 55, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1472,1473,1472,1473,
&end
#
# 90 PRO HB+ 2 ILE HB 5.50 (# 56:20 Unique 4.07, 5.23 A)
&rst
ixpk= 56, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1478,1479,
&end
#
# 0 AMB 20-2:57 2 ILE HB 5.50 (# 57:20 Single Ambig)
&rst
ixpk= 57, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 8, 9, 8, 9,
&end
#
# 90 PRO HG+ 2 ILE HB 5.50 (# 58:20 Unique 1.95, 3.33 A)
&rst
ixpk= 58, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1475,1476,
&end
#
# 2 ILE HG1- 2 ILE HB 4.50 (# 59:20 Unique 2.41, 2.53 A)
&rst
ixpk= 59, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 31, 32,
&end
#
# 2 ILE HG1+ 2 ILE HB 5.50 (# 60:20 Unique 2.41, 2.53 A)
&rst
ixpk= 60, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 31, 32,
&end
#
# 2 ILE QD1 2 ILE HB 4.50 (# 61:20 Unique 2.08, 3.72 A)
&rst
ixpk= 61, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 34, 35, 36,
&end
#
# 2 ILE QG2 2 ILE HB 3.50 (# 62:20 Unique 2.22, 2.63 A)
&rst
ixpk= 62, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 27, 28, 29,
&end
#
# 2 ILE HN 2 ILE HG1+ 5.50 (# 63:20 Unique 1.94, 3.49 A)
&rst
ixpk= 63, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 31, 32,
&end
#
# 2 ILE HN 2 ILE HG1- 5.50 (# 64:20 Unique 1.94, 3.49 A)
&rst
ixpk= 64, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 31, 32,
&end
#
# 3 ASP HN 2 ILE HG1- 5.50 (# 65:20 Unique 4.03, 4.97 A)
&rst
ixpk= 65, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 31, 32,
&end
#
# 0 AMB 20-2:66 0 AMB 20-1:66 5.50 (# 66:20 Double Ambig)
&rst
ixpk= 66, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 40, 52,
igr2= 31, 32, 31, 32,
&end
#
# 0 AMB 20-2:67 0 AMB 20-1:67 5.50 (# 67:20 Double Ambig)
&rst
ixpk= 67, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 23, 618,
igr2= 31, 32, 626, 627,
&end
#
# 0 AMB 20-2:68 0 AMB 20-1:68 5.50 (# 68:20 Double Ambig)
&rst
ixpk= 68, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 23, 6,
igr2= 31, 32, 31, 32,
&end
#
# 83 LEU HA 83 LEU HG 5.50 (# 69:20 Unique 2.79, 3.46 A)
&rst
ixpk= 69, nxpk= 20, iat=1342,1347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 CYS HB+ 2 ILE HG1- 5.50 (# 70:20 Unique 2.01, 5.74 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1505,1506,
igr2= 31, 32,
&end
#
# 92 CYS HB+ 2 ILE HG1+ 5.50 (# 71:20 Unique 2.01, 5.74 A)
&rst
ixpk= 71, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1505,1506,
igr2= 31, 32,
&end
#
# 0 AMB 20-2:72 0 AMB 20-1:72 5.50 (# 72:20 Double Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1478,1479,1287,1288,
igr2= 31, 32,1347,
&end
#
# 0 AMB 20-2:73 0 AMB 20-1:73 2.80 (# 73:20 Double Ambig)
&rst
ixpk= 73, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1344,1345, 25,
igr2=1347, 31, 32,
&end
#
# 2 ILE HB 2 ILE HG1+ 5.50 (# 74:20 Unique 2.41, 2.53 A)
&rst
ixpk= 74, nxpk= 20, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 31, 32,
&end
#
# 0 AMB 20-2:75 0 AMB 20-1:75 5.50 (# 75:20 Double Ambig)
&rst
ixpk= 75, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 108, 109, 108, 109,
igr2= 31, 32, 31, 32,
&end
#
# 0 AMB 20-2:76 2 ILE HG1- 4.50 (# 76:20 Single Ambig)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 108, 109, 108, 109,
igr2= 31, 32,
&end
#
# 2 ILE QD1 2 ILE HG1+ 4.50 (# 77:20 Unique 2.20, 2.62 A)
&rst
ixpk= 77, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 34, 35, 36,
igr2= 31, 32,
&end
#
# 2 ILE QG2 2 ILE HG1+ 3.50 (# 78:20 Unique 2.08, 3.42 A)
&rst
ixpk= 78, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 27, 28, 29,
igr2= 31, 32,
&end
#
# 0 AMB 20-2:80 0 AMB 20-1:80 2.80 (# 80:20 Double Ambig)
&rst
ixpk= 80, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1270,1271,1272,1274,1275,1276,1006,1007,1008,1010,
1011,1012,1006,1007,1008,1010,1011,1012, 27, 28,
29,1349,1350,1351,1353,1354,1355,1349,1350,1351,
1353,1354,1355,
igr2=1347,1686, 31, 32,
&end
#
# 8 ARG HA 2 ILE HG1+ 5.50 (# 81:20 Unique 2.08, 4.90 A)
&rst
ixpk= 81, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 31, 32,
&end
#
# 8 ARG HA 2 ILE HG1- 5.50 (# 82:20 Unique 2.08, 4.90 A)
&rst
ixpk= 82, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 31, 32,
&end
#
# 0 AMB 20-2:83 2 ILE QD1 5.50 (# 83:20 Single Ambig)
&rst
ixpk= 83, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1501, 52,1485,
igr2= 34, 35, 36,
&end
#
# 8 ARG HA 2 ILE QD1 5.50 (# 85:20 Unique 2.00, 3.79 A)
&rst
ixpk= 85, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 34, 35, 36,
&end
#
# 92 CYS HA 2 ILE QD1 5.50 (# 86:20 Unique 2.06, 4.72 A)
&rst
ixpk= 86, nxpk= 20, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 34, 35, 36,
&end
#
# 0 AMB 20-2:87 2 ILE QD1 5.50 (# 87:20 Single Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 23, 6,
igr2= 34, 35, 36,
&end
#
# 6 GLY HA- 2 ILE QD1 5.50 (# 88:20 Unique 2.53, 5.87 A)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 78, 79,
igr2= 34, 35, 36,
&end
#
# 0 AMB 20-2:89 2 ILE QD1 5.50 (# 89:20 Single Ambig)
&rst
ixpk= 89, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1472,1473,1472,1473,
igr2= 34, 35, 36,
&end
#
# 92 CYS HB+ 2 ILE QD1 5.50 (# 90:20 Unique 2.12, 5.04 A)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1505,1506,
igr2= 34, 35, 36,
&end
#
# 92 CYS HB- 2 ILE QD1 5.50 (# 91:20 Unique 2.12, 5.04 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1505,1506,
igr2= 34, 35, 36,
&end
#
# 0 AMB 20-2:92 2 ILE QD1 4.50 (# 92:20 Single Ambig)
&rst
ixpk= 92, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 111, 112, 108, 109, 108, 109,
igr2= 34, 35, 36,
&end
#
# 2 ILE HB 2 ILE QD1 3.50 (# 93:20 Unique 2.08, 3.72 A)
&rst
ixpk= 93, nxpk= 20, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 34, 35, 36,
&end
#
# 2 ILE HG1- 2 ILE QD1 3.50 (# 94:20 Unique 2.20, 2.62 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 31, 32,
igr2= 34, 35, 36,
&end
#
# 2 ILE HG1+ 2 ILE QD1 3.50 (# 95:20 Unique 2.20, 2.62 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 31, 32,
igr2= 34, 35, 36,
&end
#
# 93 ILE HN 2 ILE QG2 5.50 (# 96:20 Unique 4.25, 5.39 A)
&rst
ixpk= 96, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 27, 28, 29,
&end
#
# 3 ASP HN 2 ILE QG2 3.50 (# 97:20 Unique 1.96, 2.95 A)
&rst
ixpk= 97, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:98 2 ILE QG2 4.50 (# 98:20 Single Ambig)
&rst
ixpk= 98, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 76, 104,
igr2= 27, 28, 29,
&end
#
# 5 ASP HN 2 ILE QG2 5.50 (# 99:20 Unique 3.42, 5.55 A)
&rst
ixpk= 99, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:100 2 ILE QG2 5.50 (# 100:20 Single Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 42,1481,
igr2= 27, 28, 29,
&end
#
# 2 ILE HA 2 ILE QG2 3.50 (# 102:20 Unique 2.03, 3.01 A)
&rst
ixpk= 102, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 27, 28, 29,
&end
#
# 6 GLY HA- 2 ILE QG2 4.50 (# 103:20 Unique 1.95, 3.39 A)
&rst
ixpk= 103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 78, 79,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:104 2 ILE QG2 5.50 (# 104:20 Single Ambig)
&rst
ixpk= 104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1472,1473,1472,1473,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:105 2 ILE QG2 5.50 (# 105:20 Single Ambig)
&rst
ixpk= 105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 87, 88, 68, 69,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:106 2 ILE QG2 5.50 (# 106:20 Single Ambig)
&rst
ixpk= 106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1505,1506, 56, 57,
igr2= 27, 28, 29,
&end
#
# 90 PRO HB+ 2 ILE QG2 5.50 (# 107:20 Unique 3.15, 5.06 A)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1478,1479,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:108 2 ILE QG2 5.50 (# 108:20 Single Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1545,1546, 8, 9, 8, 9,
igr2= 27, 28, 29,
&end
#
# 2 ILE HB 2 ILE QG2 2.80 (# 109:20 Unique 2.22, 2.63 A)
&rst
ixpk= 109, nxpk= 20, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 27, 28, 29,
&end
#
# 2 ILE HG1- 2 ILE QG2 4.50 (# 110:20 Unique 2.08, 3.42 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 31, 32,
igr2= 27, 28, 29,
&end
#
# 96 LYS HB- 2 ILE QG2 5.50 (# 111:20 Unique 5.93, 7.53 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1559,1560,
igr2= 27, 28, 29,
&end
#
# 2 ILE HG1+ 2 ILE QG2 4.50 (# 112:20 Unique 2.08, 3.42 A)
&rst
ixpk= 112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 31, 32,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:113 3 ASP HA 3.50 (# 113:20 Single Ambig)
&rst
ixpk= 113, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 40, 52,
&end
#
# 4 ASP HA 3 ASP HA 5.50 (# 114:20 Unique 4.30, 4.52 A)
&rst
ixpk= 114, nxpk= 20, iat= 54, 42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:115 0 AMB 20-1:115 5.50 (# 115:20 Double Ambig)
&rst
ixpk= 115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 23, 6,1763,1764,
igr2= 42, 914,
&end
#
# 0 AMB 20-2:116 0 AMB 20-1:116 4.50 (# 116:20 Double Ambig)
&rst
ixpk= 116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 992, 993, 992, 993, 44, 45,
igr2= 914, 42,
&end
#
# 3 ASP HB- 3 ASP HA 4.50 (# 117:20 Unique 2.34, 2.79 A)
&rst
ixpk= 117, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 44, 45,
&end
#
# 1 MET ME 3 ASP HA 5.50 (# 118:20 Unique 2.34, 5.22 A)
&rst
ixpk= 118, nxpk= 20, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 15, 16, 17,
&end
#
# 0 AMB 20-2:119 60 LEU HA 5.50 (# 119:20 Single Ambig)
&rst
ixpk= 119, nxpk= 20, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 916, 917, 919,
&end
#
# 63 LYS HG+ 60 LEU HA 5.50 (# 120:20 Unique 3.66, 5.41 A)
&rst
ixpk= 120, nxpk= 20, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 973, 974,
&end
#
# 0 AMB 20-2:121 0 AMB 20-1:121 5.50 (# 121:20 Double Ambig)
&rst
ixpk= 121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 27, 28, 29,1006,1007,1008,1010,1011,1012,
igr2= 42, 914,
&end
#
# 0 AMB 20-2:122 0 AMB 20-1:122 2.80 (# 122:20 Double Ambig)
&rst
ixpk= 122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 52,2335,
igr2= 44, 45,2339,2340,2339,2340,
&end
#
# 5 ASP HN 0 AMB 20-1:123 5.50 (# 123:20 Single Ambig)
&rst
ixpk= 123, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 68, 69, 44, 45,
&end
#
# 143 VAL HN 0 AMB 20-1:125 4.50 (# 125:20 Single Ambig)
&rst
ixpk= 125, nxpk= 20, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2339,2340,2339,2340,
&end
#
# 0 AMB 20-2:126 0 AMB 20-1:126 5.50 (# 126:20 Double Ambig)
&rst
ixpk= 126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2311,2279,2283,
igr2=2339,2340,2339,2340,2339,2340,
&end
#
# 7 TYR HD 0 AMB 20-1:127 5.50 (# 127:20 Single Ambig)
&rst
ixpk= 127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 91, 100,
igr2= 68, 69, 44, 45,
&end
#
# 7 TYR HE 5 ASP HB- 5.50 (# 128:20 Unique 3.16, 5.47 A)
&rst
ixpk= 128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 93, 98,
igr2= 68, 69,
&end
#
# 0 AMB 20-2:129 0 AMB 20-1:129 3.50 (# 129:20 Double Ambig)
&rst
ixpk= 129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 42, 66,
igr2= 44, 45, 68, 69,
&end
#
# 3 ASP HA 3 ASP HB+ 4.50 (# 130:20 Unique 2.34, 2.79 A)
&rst
ixpk= 130, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 44, 45,
&end
#
# 0 AMB 20-2:131 0 AMB 20-1:131 5.50 (# 131:20 Double Ambig)
&rst
ixpk= 131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2418,2419,2418,2419,2418,2419,
igr2=2339,2340,2339,2340,2339,2340,
&end
#
# 0 AMB 20-2:132 0 AMB 20-1:132 5.50 (# 132:20 Double Ambig)
&rst
ixpk= 132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 87, 88, 15, 16, 17,
igr2= 44, 45, 44, 45,
&end
#
# 0 AMB 20-2:133 0 AMB 20-1:133 5.50 (# 133:20 Double Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 132, 133,1607,1608,
igr2= 44, 45,1141,1142,
&end
#
# 0 AMB 20-2:134 0 AMB 20-1:134 5.50 (# 134:20 Double Ambig)
&rst
ixpk= 134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.42, r4=11.92,
igr1=2318,2319,2318,2319,2315,2316,2391,2392,2391,2392,
igr2=2339,2340,2339,2340,2339,2340,2339,2340,
&end
#
# 0 AMB 20-2:135 0 AMB 20-1:135 5.50 (# 135:20 Double Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.53, r4=13.03,
igr1=1475,1476,1478,1479,1475,1476,2415,2416,2415,2416,
2412,2413,2412,2413,
igr2= 68, 69, 44, 45,2339,2340,2339,2340,2339,2340,
&end
#
# 0 AMB 20-2:136 3 ASP HB- 5.50 (# 136:20 Single Ambig)
&rst
ixpk= 136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 87, 88, 15, 16, 17,
igr2= 44, 45,
&end
#
# 0 AMB 20-2:137 0 AMB 20-1:137 5.50 (# 137:20 Double Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
igr2=2339,2340,2339,2340,2339,2340,
&end
#
# 4 ASP HN 4 ASP HA 4.50 (# 138:20 Unique 2.28, 2.80 A)
&rst
ixpk= 138, nxpk= 20, iat= 52, 54, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ASP HN 4 ASP HA 4.50 (# 139:20 Unique 3.49, 3.54 A)
&rst
ixpk= 139, nxpk= 20, iat= 64, 54, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:141 4 ASP HA 5.50 (# 141:20 Single Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 68, 69, 87, 88,
&end
#
# 3 ASP HB+ 4 ASP HA 5.50 (# 142:20 Unique 3.84, 5.06 A)
&rst
ixpk= 142, nxpk= 20, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 44, 45,
&end
#
# 4 ASP HB+ 4 ASP HA 3.50 (# 143:20 Unique 2.39, 2.80 A)
&rst
ixpk= 143, nxpk= 20, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 56, 57,
&end
#
# 4 ASP HB- 4 ASP HA 3.50 (# 144:20 Unique 2.39, 2.80 A)
&rst
ixpk= 144, nxpk= 20, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 56, 57,
&end
#
# 90 PRO HG+ 4 ASP HA 5.50 (# 145:20 Unique 3.11, 5.73 A)
&rst
ixpk= 145, nxpk= 20, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1475,1476,
&end
#
# 4 ASP HA 4 ASP HB- 4.50 (# 146:20 Unique 2.39, 2.80 A)
&rst
ixpk= 146, nxpk= 20, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 56, 57,
&end
#
# 4 ASP HA 4 ASP HB+ 3.50 (# 147:20 Unique 2.39, 2.80 A)
&rst
ixpk= 147, nxpk= 20, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 56, 57,
&end
#
# 5 ASP HN 4 ASP HB+ 5.50 (# 148:20 Unique 1.90, 2.54 A)
&rst
ixpk= 148, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 56, 57,
&end
#
# 5 ASP HN 4 ASP HB- 5.50 (# 149:20 Unique 1.90, 2.54 A)
&rst
ixpk= 149, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 56, 57,
&end
#
# 6 GLY HN 5 ASP HA 5.50 (# 150:20 Unique 3.04, 3.46 A)
&rst
ixpk= 150, nxpk= 20, iat= 76, 66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:151 0 AMB 20-1:151 4.50 (# 151:20 Double Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 64,1449,
igr2= 66,1425,
&end
#
# 0 AMB 20-2:154 0 AMB 20-1:154 3.50 (# 154:20 Double Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 68, 69,1462,1463,1462,1463,
igr2= 66,1425,
&end
#
# 5 ASP HB- 5 ASP HA 3.50 (# 155:20 Unique 2.45, 2.80 A)
&rst
ixpk= 155, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 68, 69,
&end
#
# 5 ASP HA 5 ASP HB+ 4.50 (# 156:20 Unique 2.45, 2.80 A)
&rst
ixpk= 156, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 68, 69,
&end
#
# 7 TYR HD 5 ASP HB+ 5.50 (# 157:20 Unique 3.21, 5.55 A)
&rst
ixpk= 157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 91, 100,
igr2= 68, 69,
&end
#
# 5 ASP HN 5 ASP HB+ 5.50 (# 158:20 Unique 2.08, 2.96 A)
&rst
ixpk= 158, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 68, 69,
&end
#
# 0 AMB 20-2:159 0 AMB 20-1:159 5.50 (# 159:20 Double Ambig)
&rst
ixpk= 159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1525,1526,1527,1522,1523,
igr2= 78, 79, 78, 79,
&end
#
# 0 AMB 20-2:160 6 GLY HA- 5.50 (# 160:20 Single Ambig)
&rst
ixpk= 160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1525,1526,1527,1522,1523,
igr2= 78, 79,
&end
#
# 93 ILE HG1- 6 GLY HA+ 5.50 (# 161:20 Unique 1.97, 4.09 A)
&rst
ixpk= 161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1522,1523,
igr2= 78, 79,
&end
#
# 93 ILE HG1- 6 GLY HA- 5.50 (# 162:20 Unique 1.97, 4.09 A)
&rst
ixpk= 162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1522,1523,
igr2= 78, 79,
&end
#
# 2 ILE QG2 6 GLY HA+ 5.50 (# 163:20 Unique 1.95, 3.39 A)
&rst
ixpk= 163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 27, 28, 29,
igr2= 78, 79,
&end
#
# 2 ILE QG2 6 GLY HA- 5.50 (# 164:20 Unique 1.95, 3.39 A)
&rst
ixpk= 164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 27, 28, 29,
igr2= 78, 79,
&end
#
# 90 PRO HG- 6 GLY HA+ 5.50 (# 165:20 Unique 1.99, 3.99 A)
&rst
ixpk= 165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1475,1476,
igr2= 78, 79,
&end
#
# 0 AMB 20-2:166 6 GLY HA- 5.50 (# 166:20 Single Ambig)
&rst
ixpk= 166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1475,1476,1478,1479,
igr2= 78, 79,
&end
#
# 0 AMB 20-2:167 43 GLY HA- 5.50 (# 167:20 Single Ambig)
&rst
ixpk= 167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 674, 675, 674, 675, 653, 654, 677, 678,
igr2= 665, 666,
&end
#
# 6 GLY HN 6 GLY HA- 4.50 (# 168:20 Unique 2.38, 2.74 A)
&rst
ixpk= 168, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 78, 79,
&end
#
# 6 GLY HN 6 GLY HA+ 5.50 (# 169:20 Unique 2.38, 2.74 A)
&rst
ixpk= 169, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 78, 79,
&end
#
# 7 TYR HN 7 TYR HA 5.50 (# 170:20 Unique 2.90, 2.94 A)
&rst
ixpk= 170, nxpk= 20, iat= 83, 85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ARG HN 7 TYR HA 4.50 (# 171:20 Unique 2.14, 2.22 A)
&rst
ixpk= 171, nxpk= 20, iat= 104, 85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 GLY HN 7 TYR HA 5.50 (# 172:20 Unique 2.70, 3.19 A)
&rst
ixpk= 172, nxpk= 20, iat=1531, 85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HD1 74 TRP HA 5.50 (# 173:20 Unique 3.88, 4.12 A)
&rst
ixpk= 173, nxpk= 20, iat=1159,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR HD 7 TYR HA 5.50 (# 174:20 Unique 1.73, 3.24 A)
&rst
ixpk= 174, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 91, 100,
&end
#
# 95 GLN HA 7 TYR HA 5.50 (# 175:20 Unique 2.71, 3.39 A)
&rst
ixpk= 175, nxpk= 20, iat=1540, 85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:177 0 AMB 20-1:177 5.50 (# 177:20 Double Ambig)
&rst
ixpk= 177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1155,1156, 87, 88,
igr2=1153, 85,
&end
#
# 7 TYR HB- 7 TYR HA 5.50 (# 178:20 Unique 2.46, 2.78 A)
&rst
ixpk= 178, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 87, 88,
&end
#
# 133 VAL HB 130 TRP HA 5.50 (# 179:20 Unique 2.36, 3.43 A)
&rst
ixpk= 179, nxpk= 20, iat=2173,2112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:180 0 AMB 20-1:180 5.50 (# 180:20 Double Ambig)
&rst
ixpk= 180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1607,1608,1179,1180, 111, 112, 108, 109,
igr2=1153, 85,
&end
#
# 0 AMB 20-2:181 0 AMB 20-1:181 5.50 (# 181:20 Double Ambig)
&rst
ixpk= 181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2459,2460,2461,1201,1202,
igr2=2112, 85,
&end
#
# 133 VAL MGY 130 TRP HA 5.50 (# 182:20 Unique 1.95, 3.74 A)
&rst
ixpk= 182, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 0 AMB 20-2:183 7 TYR HA 5.50 (# 183:20 Single Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1522,1523,1525,1526,1527,
&end
#
# 0 AMB 20-2:184 0 AMB 20-1:184 5.50 (# 184:20 Double Ambig)
&rst
ixpk= 184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 27, 28, 29,1562,1563,1270,1271,1272,1274,1275,
1276, 329, 330, 331, 333, 334, 335,
igr2= 85,1153,2112,
&end
#
# 0 AMB 20-2:185 0 AMB 20-1:185 5.50 (# 185:20 Double Ambig)
&rst
ixpk= 185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1562,1563, 27, 28, 29,
igr2= 87, 88, 87, 88,
&end
#
# 96 LYS HB+ 7 TYR HB+ 5.50 (# 186:20 Unique 1.94, 2.79 A)
&rst
ixpk= 186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1559,1560,
igr2= 87, 88,
&end
#
# 7 TYR HA 7 TYR HB+ 5.50 (# 187:20 Unique 2.46, 2.78 A)
&rst
ixpk= 187, nxpk= 20, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 87, 88,
&end
#
# 7 TYR HD 7 TYR HB+ 5.50 (# 188:20 Unique 2.35, 3.08 A)
&rst
ixpk= 188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 91, 100,
igr2= 87, 88,
&end
#
# 7 TYR HN 7 TYR HB+ 5.50 (# 189:20 Unique 2.24, 3.06 A)
&rst
ixpk= 189, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 87, 88,
&end
#
# 0 AMB 20-2:190 7 TYR HB- 5.50 (# 190:20 Single Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1562,1563, 27, 28, 29,
igr2= 87, 88,
&end
#
# 7 TYR HA 7 TYR HB- 5.50 (# 191:20 Unique 2.46, 2.78 A)
&rst
ixpk= 191, nxpk= 20, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 87, 88,
&end
#
# 95 GLN HA 7 TYR HB- 5.50 (# 192:20 Unique 2.97, 4.24 A)
&rst
ixpk= 192, nxpk= 20, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 87, 88,
&end
#
# 7 TYR HD 7 TYR HB- 5.50 (# 193:20 Unique 2.35, 3.08 A)
&rst
ixpk= 193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 91, 100,
igr2= 87, 88,
&end
#
# 7 TYR HE 7 TYR HB- 5.50 (# 194:20 Unique 4.64, 5.06 A)
&rst
ixpk= 194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 93, 98,
igr2= 87, 88,
&end
#
# 7 TYR HN 7 TYR HB- 5.50 (# 195:20 Unique 2.24, 3.06 A)
&rst
ixpk= 195, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 87, 88,
&end
#
# 3 ASP HN 8 ARG HA 5.50 (# 196:20 Unique 3.74, 4.50 A)
&rst
ixpk= 196, nxpk= 20, iat= 40, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ARG HN 8 ARG HA 5.50 (# 197:20 Unique 2.84, 2.88 A)
&rst
ixpk= 197, nxpk= 20, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:198 8 ARG HA 5.50 (# 198:20 Single Ambig)
&rst
ixpk= 198, nxpk= 20, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 129, 130, 129, 130,
&end
#
# 2 ILE HA 8 ARG HA 5.50 (# 199:20 Unique 2.21, 3.05 A)
&rst
ixpk= 199, nxpk= 20, iat= 23, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:200 8 ARG HA 4.50 (# 200:20 Single Ambig)
&rst
ixpk= 200, nxpk= 20, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 111, 112, 108, 109, 108, 109,
&end
#
# 8 ARG HN 0 AMB 20-1:201 5.50 (# 201:20 Single Ambig)
&rst
ixpk= 201, nxpk= 20, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 108, 109, 108, 109,
&end
#
# 8 ARG HA 0 AMB 20-1:203 5.50 (# 203:20 Single Ambig)
&rst
ixpk= 203, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 108, 109, 108, 109,
&end
#
# 163 PRO HD- 163 PRO HB- 5.50 (# 204:20 Unique 2.98, 3.70 A)
&rst
ixpk= 204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2683,2684,
igr2=2689,2690,
&end
#
# 163 PRO HD+ 163 PRO HB- 5.50 (# 205:20 Unique 2.98, 3.70 A)
&rst
ixpk= 205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2683,2684,
igr2=2689,2690,
&end
#
# 0 AMB 20-2:206 0 AMB 20-1:206 5.50 (# 206:20 Double Ambig)
&rst
ixpk= 206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 114, 115, 114, 115,
igr2= 108, 109, 108, 109,
&end
#
# 8 ARG HG- 0 AMB 20-1:207 4.50 (# 207:20 Single Ambig)
&rst
ixpk= 207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 111, 112,
igr2= 108, 109, 108, 109,
&end
#
# 0 AMB 20-2:208 0 AMB 20-1:208 5.50 (# 208:20 Double Ambig)
&rst
ixpk= 208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1=1491,1492,1493,1495,1496,1497, 622, 623, 624, 162,
163, 164, 166, 167, 168,
igr2= 108, 109, 108, 109, 108, 109,
&end
#
# 2 ILE QD1 0 AMB 20-1:209 4.50 (# 209:20 Single Ambig)
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 34, 35, 36,
igr2= 108, 109, 108, 109,
&end
#
# 8 ARG HA 8 ARG HG- 5.50 (# 211:20 Unique 2.05, 3.11 A)
&rst
ixpk= 211, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 111, 112,
&end
#
# 8 ARG HA 8 ARG HG+ 5.50 (# 212:20 Unique 2.05, 3.11 A)
&rst
ixpk= 212, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 111, 112,
&end
#
# 8 ARG HD+ 8 ARG HG- 4.50 (# 213:20 Unique 2.22, 2.67 A)
&rst
ixpk= 213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 114, 115,
igr2= 111, 112,
&end
#
# 0 AMB 20-2:214 0 AMB 20-1:214 3.50 (# 214:20 Double Ambig)
&rst
ixpk= 214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 114, 115,1326,1327,1326,1327,
igr2= 111, 112,1323,1324,1323,1324,
&end
#
# 8 ARG HN 8 ARG HD+ 5.50 (# 218:20 Unique 4.34, 4.94 A)
&rst
ixpk= 218, nxpk= 20, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 114, 115,
&end
#
# 0 AMB 20-2:219 0 AMB 20-1:219 5.50 (# 219:20 Double Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 151, 152,1550,1551,
igr2= 114, 115, 114, 115,
&end
#
# 40 ILE HN 8 ARG HD+ 5.50 (# 220:20 Unique 4.30, 6.44 A)
&rst
ixpk= 220, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 114, 115,
&end
#
# 0 AMB 20-2:221 0 AMB 20-1:221 5.50 (# 221:20 Double Ambig)
&rst
ixpk= 221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 151, 152,1550,1551,
igr2= 114, 115, 114, 115,
&end
#
# 8 ARG HA 8 ARG HD+ 5.50 (# 222:20 Unique 2.00, 4.32 A)
&rst
ixpk= 222, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 114, 115,
&end
#
# 8 ARG HA 8 ARG HD- 5.50 (# 223:20 Unique 2.00, 4.32 A)
&rst
ixpk= 223, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 114, 115,
&end
#
# 0 AMB 20-2:226 0 AMB 20-1:226 5.50 (# 226:20 Double Ambig)
&rst
ixpk= 226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 129, 130, 129, 130,
igr2= 114, 115, 114, 115,
&end
#
# 0 AMB 20-2:227 8 ARG HD- 5.50 (# 227:20 Single Ambig)
&rst
ixpk= 227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 129, 130, 129, 130,
igr2= 114, 115,
&end
#
# 0 AMB 20-2:228 0 AMB 20-1:228 4.50 (# 228:20 Double Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 108, 109, 108, 109, 111, 112,
igr2= 114, 115, 114, 115, 114, 115,
&end
#
# 0 AMB 20-2:229 0 AMB 20-1:229 2.80 (# 229:20 Double Ambig)
&rst
ixpk= 229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 108, 109, 108, 109,2388,2389,2388,2389,2388,2389,
111, 112,
igr2= 114, 115,2394,2395,2394,2395,2394,2395,
&end
#
# 8 ARG HG- 8 ARG HD+ 5.50 (# 230:20 Unique 2.22, 2.67 A)
&rst
ixpk= 230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 111, 112,
igr2= 114, 115,
&end
#
# 0 AMB 20-2:231 0 AMB 20-1:231 2.80 (# 231:20 Double Ambig)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 111, 112,2391,2392,
igr2= 114, 115,2394,2395,2394,2395,
&end
#
# 0 AMB 20-2:232 0 AMB 20-1:232 5.50 (# 232:20 Double Ambig)
&rst
ixpk= 232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 34, 35, 36,1349,1350,1351,1353,1354,1355,
igr2= 114, 115, 114, 115,
&end
#
# 0 AMB 20-2:233 8 ARG HD- 5.50 (# 233:20 Single Ambig)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 34, 35, 36,1349,1350,1351,1353,1354,1355,
igr2= 114, 115,
&end
#
# 10 ASN HN 9 PRO HA 4.50 (# 234:20 Unique 2.15, 2.18 A)
&rst
ixpk= 234, nxpk= 20, iat= 142, 138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 LYS HN 9 PRO HA 5.50 (# 235:20 Unique 3.54, 4.03 A)
&rst
ixpk= 235, nxpk= 20, iat=1555, 138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HN 9 PRO HA 5.50 (# 236:20 Unique 4.24, 4.66 A)
&rst
ixpk= 236, nxpk= 20, iat= 616, 138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2+ 9 PRO HA 5.50 (# 237:20 Unique 3.70, 4.97 A)
&rst
ixpk= 237, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 97 GLN HA 9 PRO HA 5.50 (# 238:20 Unique 4.12, 4.64 A)
&rst
ixpk= 238, nxpk= 20, iat=1579, 138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:239 9 PRO HA 5.50 (# 239:20 Single Ambig)
&rst
ixpk= 239, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 129, 130, 129, 130,
&end
#
# 9 PRO HG+ 9 PRO HA 5.50 (# 240:20 Unique 3.85, 3.94 A)
&rst
ixpk= 240, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 132, 133,
&end
#
# 0 AMB 20-2:241 9 PRO HA 5.50 (# 241:20 Single Ambig)
&rst
ixpk= 241, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1568,1569, 135, 136,
&end
#
# 0 AMB 20-2:242 9 PRO HA 5.50 (# 242:20 Single Ambig)
&rst
ixpk= 242, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1568,1569, 135, 136,
&end
#
# 0 AMB 20-2:244 9 PRO HA 5.50 (# 244:20 Single Ambig)
&rst
ixpk= 244, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1559,1560, 626, 627,
&end
#
# 40 ILE QD1 9 PRO HA 5.50 (# 245:20 Unique 2.34, 3.95 A)
&rst
ixpk= 245, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 629, 630, 631,
&end
#
# 96 LYS HG+ 9 PRO HA 5.50 (# 246:20 Unique 2.91, 4.56 A)
&rst
ixpk= 246, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1562,1563,
&end
#
# 40 ILE QD1 9 PRO HB- 5.50 (# 247:20 Unique 2.00, 3.91 A)
&rst
ixpk= 247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 629, 630, 631,
igr2= 135, 136,
&end
#
# 40 ILE HG1+ 9 PRO HB- 5.50 (# 248:20 Unique 2.74, 4.72 A)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 626, 627,
igr2= 135, 136,
&end
#
# 0 AMB 20-2:250 0 AMB 20-1:250 4.50 (# 250:20 Double Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 629, 630, 631,2162,2163,
igr2= 135, 136,2230,
&end
#
# 137 VAL MGY 136 VAL HB 5.50 (# 251:20 Unique 2.20, 5.74 A)
&rst
ixpk= 251, nxpk= 20, iat= -1,2230, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 40 ILE HB 9 PRO HB- 5.50 (# 252:20 Unique 1.94, 2.93 A)
&rst
ixpk= 252, nxpk= 20, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 135, 136,
&end
#
# 0 AMB 20-2:253 0 AMB 20-1:253 4.50 (# 253:20 Double Ambig)
&rst
ixpk= 253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 620,2293,2294,
igr2= 135, 136,2230,
&end
#
# 9 PRO HG+ 9 PRO HB- 5.50 (# 254:20 Unique 2.32, 2.58 A)
&rst
ixpk= 254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 132, 133,
igr2= 135, 136,
&end
#
# 9 PRO HG+ 9 PRO HB+ 5.50 (# 255:20 Unique 2.32, 2.58 A)
&rst
ixpk= 255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 132, 133,
igr2= 135, 136,
&end
#
# 0 AMB 20-2:256 9 PRO HB- 5.50 (# 256:20 Single Ambig)
&rst
ixpk= 256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 129, 130, 129, 130,
igr2= 135, 136,
&end
#
# 0 AMB 20-2:257 0 AMB 20-1:257 5.50 (# 257:20 Double Ambig)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 129, 130, 129, 130,
igr2= 135, 136, 135, 136,
&end
#
# 9 PRO HA 9 PRO HB- 5.50 (# 258:20 Unique 2.30, 2.51 A)
&rst
ixpk= 258, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 135, 136,
&end
#
# 9 PRO HA 9 PRO HB+ 5.50 (# 259:20 Unique 2.30, 2.51 A)
&rst
ixpk= 259, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 135, 136,
&end
#
# 10 ASN HD2+ 9 PRO HB- 5.50 (# 260:20 Unique 5.69, 6.75 A)
&rst
ixpk= 260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 151, 152,
igr2= 135, 136,
&end
#
# 74 TRP HH2 9 PRO HB- 5.50 (# 262:20 Unique 5.84, 6.22 A)
&rst
ixpk= 262, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 135, 136,
&end
#
# 24 TRP HZ2 136 VAL HB 5.50 (# 263:20 Unique 1.95, 4.16 A)
&rst
ixpk= 263, nxpk= 20, iat= 369,2230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HN 9 PRO HB- 5.50 (# 264:20 Unique 3.59, 4.01 A)
&rst
ixpk= 264, nxpk= 20, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 135, 136,
&end
#
# 10 ASN HN 9 PRO HB+ 5.50 (# 265:20 Unique 3.59, 4.01 A)
&rst
ixpk= 265, nxpk= 20, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 135, 136,
&end
#
# 40 ILE HN 9 PRO HG+ 5.50 (# 266:20 Unique 3.89, 4.80 A)
&rst
ixpk= 266, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 132, 133,
&end
#
# 0 AMB 20-2:268 0 AMB 20-1:268 5.50 (# 268:20 Double Ambig)
&rst
ixpk= 268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 138, 144,
igr2= 132, 133, 132, 133,
&end
#
# 8 ARG HA 9 PRO HG+ 5.50 (# 269:20 Unique 4.14, 4.27 A)
&rst
ixpk= 269, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 132, 133,
&end
#
# 0 AMB 20-2:270 0 AMB 20-1:270 5.50 (# 270:20 Double Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 23, 6,
igr2= 132, 133, 132, 133,
&end
#
# 0 AMB 20-2:271 0 AMB 20-1:271 4.50 (# 271:20 Double Ambig)
&rst
ixpk= 271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 129, 130, 129, 130,
igr2= 132, 133, 132, 133,
&end
#
# 1 MET HG+ 9 PRO HG+ 5.50 (# 272:20 Unique 1.98, 3.70 A)
&rst
ixpk= 272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 11, 12,
igr2= 132, 133,
&end
#
# 9 PRO HB+ 9 PRO HG+ 5.50 (# 273:20 Unique 2.32, 2.58 A)
&rst
ixpk= 273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 135, 136,
igr2= 132, 133,
&end
#
# 9 PRO HB- 9 PRO HG+ 5.50 (# 274:20 Unique 2.32, 2.58 A)
&rst
ixpk= 274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 135, 136,
igr2= 132, 133,
&end
#
# 40 ILE HB 9 PRO HG+ 5.50 (# 275:20 Unique 2.91, 4.08 A)
&rst
ixpk= 275, nxpk= 20, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 132, 133,
&end
#
# 2 ILE QG2 9 PRO HG+ 5.50 (# 277:20 Unique 5.55, 7.35 A)
&rst
ixpk= 277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 27, 28, 29,
igr2= 132, 133,
&end
#
# 3 ASP HN 0 AMB 20-1:278 5.50 (# 278:20 Single Ambig)
&rst
ixpk= 278, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 129, 130, 129, 130,
&end
#
# 0 AMB 20-2:279 0 AMB 20-1:279 5.50 (# 279:20 Double Ambig)
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 104, 76,
igr2= 129, 130, 129, 130, 129, 130,
&end
#
# 9 PRO HA 0 AMB 20-1:280 5.50 (# 280:20 Single Ambig)
&rst
ixpk= 280, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 129, 130, 129, 130,
&end
#
# 2 ILE HA 0 AMB 20-1:281 5.50 (# 281:20 Single Ambig)
&rst
ixpk= 281, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 129, 130, 129, 130,
&end
#
# 0 AMB 20-2:282 0 AMB 20-1:282 5.50 (# 282:20 Double Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 85, 54,
igr2= 129, 130, 129, 130, 129, 130,
&end
#
# 8 ARG HA 0 AMB 20-1:283 4.50 (# 283:20 Single Ambig)
&rst
ixpk= 283, nxpk= 20, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 129, 130, 129, 130,
&end
#
# 1 MET HG- 0 AMB 20-1:284 5.50 (# 284:20 Single Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 11, 12,
igr2= 129, 130, 129, 130,
&end
#
# 0 AMB 20-2:285 0 AMB 20-1:285 5.50 (# 285:20 Double Ambig)
&rst
ixpk= 285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 11, 12, 11, 12,
igr2= 129, 130, 129, 130,
&end
#
# 0 AMB 20-2:286 0 AMB 20-1:286 5.50 (# 286:20 Double Ambig)
&rst
ixpk= 286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 44, 45, 44, 45,
igr2= 129, 130, 129, 130,
&end
#
# 0 AMB 20-2:287 0 AMB 20-1:287 5.50 (# 287:20 Double Ambig)
&rst
ixpk= 287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 132, 133, 132, 133,
igr2= 129, 130, 129, 130,
&end
#
# 0 AMB 20-2:288 0 AMB 20-1:288 5.50 (# 288:20 Double Ambig)
&rst
ixpk= 288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 135, 136, 135, 136, 15, 16, 17,1568,1569,
igr2= 129, 130, 129, 130, 129, 130, 129, 130,
&end
#
# 0 AMB 20-2:289 0 AMB 20-1:289 3.50 (# 289:20 Double Ambig)
&rst
ixpk= 289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 111, 112, 111, 112, 132, 133, 108, 109, 108, 109,
igr2= 129, 130, 129, 130, 129, 130, 129, 130, 129, 130,
&end
#
# 8 ARG HG- 0 AMB 20-1:290 5.50 (# 290:20 Single Ambig)
&rst
ixpk= 290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 111, 112,
igr2= 129, 130, 129, 130,
&end
#
# 2 ILE HG1- 0 AMB 20-1:291 5.50 (# 291:20 Single Ambig)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 31, 32,
igr2= 129, 130, 129, 130,
&end
#
# 2 ILE QD1 0 AMB 20-1:292 5.50 (# 292:20 Single Ambig)
&rst
ixpk= 292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 34, 35, 36,
igr2= 129, 130, 129, 130,
&end
#
# 40 ILE QG2 0 AMB 20-1:293 5.50 (# 293:20 Single Ambig)
&rst
ixpk= 293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 622, 623, 624,
igr2= 129, 130, 129, 130,
&end
#
# 11 VAL MGX 10 ASN HA 5.50 (# 294:20 Unique 3.00, 4.65 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 40 ILE HG1+ 10 ASN HA 5.50 (# 295:20 Unique 2.00, 3.30 A)
&rst
ixpk= 295, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 11 VAL MGY 10 ASN HA 5.50 (# 296:20 Unique 3.00, 4.65 A)
&rst
ixpk= 296, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 40 ILE HG1- 10 ASN HA 5.50 (# 297:20 Unique 2.00, 3.30 A)
&rst
ixpk= 297, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 0 AMB 20-2:298 10 ASN HA 5.50 (# 298:20 Single Ambig)
&rst
ixpk= 298, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 135, 136, 160,
&end
#
# 0 AMB 20-2:300 10 ASN HA 5.50 (# 300:20 Single Ambig)
&rst
ixpk= 300, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1581,1582,1545,1546,
&end
#
# 10 ASN HB- 10 ASN HA 5.50 (# 301:20 Unique 2.24, 2.60 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 10 ASN HB+ 10 ASN HA 5.50 (# 302:20 Unique 2.24, 2.60 A)
&rst
ixpk= 302, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 39 GLY HA- 10 ASN HA 5.50 (# 303:20 Unique 1.96, 2.99 A)
&rst
ixpk= 303, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 611, 612,
&end
#
# 39 GLY HA+ 10 ASN HA 5.50 (# 304:20 Unique 1.96, 2.99 A)
&rst
ixpk= 304, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 611, 612,
&end
#
# 10 ASN HD2- 10 ASN HA 5.50 (# 305:20 Unique 3.83, 4.62 A)
&rst
ixpk= 305, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 10 ASN HD2+ 10 ASN HA 5.50 (# 306:20 Unique 3.83, 4.62 A)
&rst
ixpk= 306, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 40 ILE HN 10 ASN HA 5.50 (# 307:20 Unique 1.86, 1.95 A)
&rst
ixpk= 307, nxpk= 20, iat= 616, 144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HN 10 ASN HA 5.50 (# 308:20 Unique 1.94, 2.59 A)
&rst
ixpk= 308, nxpk= 20, iat= 609, 144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HN 10 ASN HA 5.50 (# 309:20 Unique 3.43, 4.07 A)
&rst
ixpk= 309, nxpk= 20, iat= 602, 144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HN 10 ASN HA 4.50 (# 310:20 Unique 2.57, 2.72 A)
&rst
ixpk= 310, nxpk= 20, iat= 156, 144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HN 10 ASN HA 5.50 (# 311:20 Unique 2.89, 2.91 A)
&rst
ixpk= 311, nxpk= 20, iat= 142, 144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:312 0 AMB 20-1:312 5.50 (# 312:20 Double Ambig)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 162, 163, 164, 166, 167, 168,1565,1566,
igr2= 146, 147, 146, 147,
&end
#
# 0 AMB 20-2:313 10 ASN HB- 5.50 (# 313:20 Single Ambig)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 162, 163, 164, 166, 167, 168,1565,1566,
igr2= 146, 147,
&end
#
# 11 VAL MGY 10 ASN HB+ 5.50 (# 314:20 Unique 3.73, 5.70 A)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 146, 147,
&end
#
# 0 AMB 20-2:315 10 ASN HB- 5.50 (# 315:20 Single Ambig)
&rst
ixpk= 315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 162, 163, 164, 166, 167, 168, 629, 630, 631,
igr2= 146, 147,
&end
#
# 0 AMB 20-2:316 0 AMB 20-1:316 5.50 (# 316:20 Double Ambig)
&rst
ixpk= 316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1542,1543, 620,
igr2= 146, 147, 146, 147,
&end
#
# 40 ILE HG1- 10 ASN HB- 5.50 (# 317:20 Unique 4.23, 5.56 A)
&rst
ixpk= 317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 626, 627,
igr2= 146, 147,
&end
#
# 95 GLN HB+ 10 ASN HB- 5.50 (# 319:20 Unique 4.27, 6.21 A)
&rst
ixpk= 319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1542,1543,
igr2= 146, 147,
&end
#
# 97 GLN HB+ 10 ASN HB+ 5.50 (# 320:20 Unique 1.96, 3.81 A)
&rst
ixpk= 320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1581,1582,
igr2= 146, 147,
&end
#
# 97 GLN HB+ 10 ASN HB- 5.50 (# 321:20 Unique 1.96, 3.81 A)
&rst
ixpk= 321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1581,1582,
igr2= 146, 147,
&end
#
# 10 ASN HA 10 ASN HB+ 5.50 (# 322:20 Unique 2.24, 2.60 A)
&rst
ixpk= 322, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 146, 147,
&end
#
# 10 ASN HA 10 ASN HB- 5.50 (# 323:20 Unique 2.24, 2.60 A)
&rst
ixpk= 323, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 146, 147,
&end
#
# 39 GLY HA+ 10 ASN HB- 5.50 (# 324:20 Unique 2.08, 4.09 A)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 611, 612,
igr2= 146, 147,
&end
#
# 39 GLY HA+ 10 ASN HB+ 5.50 (# 325:20 Unique 2.08, 4.09 A)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 611, 612,
igr2= 146, 147,
&end
#
# 0 AMB 20-2:326 10 ASN HB- 5.50 (# 326:20 Single Ambig)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 158,1557,
igr2= 146, 147,
&end
#
# 0 AMB 20-2:327 0 AMB 20-1:327 5.50 (# 327:20 Double Ambig)
&rst
ixpk= 327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 158,1557,
igr2= 146, 147, 146, 147,
&end
#
# 97 GLN HA 10 ASN HB+ 5.50 (# 328:20 Unique 3.02, 4.61 A)
&rst
ixpk= 328, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 146, 147,
&end
#
# 97 GLN HA 10 ASN HB- 5.50 (# 329:20 Unique 3.02, 4.61 A)
&rst
ixpk= 329, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 146, 147,
&end
#
# 10 ASN HD2- 10 ASN HB+ 5.50 (# 330:20 Unique 2.11, 3.20 A)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 151, 152,
igr2= 146, 147,
&end
#
# 10 ASN HD2- 10 ASN HB- 5.50 (# 331:20 Unique 2.11, 3.20 A)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 151, 152,
igr2= 146, 147,
&end
#
# 10 ASN HD2+ 10 ASN HB+ 5.50 (# 332:20 Unique 2.11, 3.20 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 151, 152,
igr2= 146, 147,
&end
#
# 10 ASN HD2+ 10 ASN HB- 5.50 (# 333:20 Unique 2.11, 3.20 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 151, 152,
igr2= 146, 147,
&end
#
# 38 GLY HN 10 ASN HB- 5.50 (# 335:20 Unique 1.91, 2.95 A)
&rst
ixpk= 335, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 146, 147,
&end
#
# 38 GLY HN 10 ASN HB+ 5.50 (# 336:20 Unique 1.91, 2.95 A)
&rst
ixpk= 336, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 146, 147,
&end
#
# 11 VAL HN 10 ASN HB+ 5.50 (# 337:20 Unique 1.88, 2.45 A)
&rst
ixpk= 337, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 146, 147,
&end
#
# 11 VAL HN 10 ASN HB- 5.50 (# 338:20 Unique 1.88, 2.45 A)
&rst
ixpk= 338, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 146, 147,
&end
#
# 10 ASN HN 10 ASN HB- 5.50 (# 339:20 Unique 2.94, 3.56 A)
&rst
ixpk= 339, nxpk= 20, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 146, 147,
&end
#
# 10 ASN HN 10 ASN HB+ 5.50 (# 340:20 Unique 2.94, 3.56 A)
&rst
ixpk= 340, nxpk= 20, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 146, 147,
&end
#
# 11 VAL HN 11 VAL HA 5.50 (# 341:20 Unique 2.88, 2.91 A)
&rst
ixpk= 341, nxpk= 20, iat= 156, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 LYS HN 11 VAL HA 5.50 (# 343:20 Unique 1.89, 2.21 A)
&rst
ixpk= 343, nxpk= 20, iat=1594, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLY HN 11 VAL HA 4.50 (# 344:20 Unique 2.14, 2.15 A)
&rst
ixpk= 344, nxpk= 20, iat= 172, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 TRP HH2 11 VAL HA 5.50 (# 345:20 Unique 4.81, 5.25 A)
&rst
ixpk= 345, nxpk= 20, iat=1166, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLN HA 11 VAL HA 5.50 (# 347:20 Unique 2.58, 3.08 A)
&rst
ixpk= 347, nxpk= 20, iat=1579, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HA 11 VAL HA 5.50 (# 348:20 Unique 4.84, 5.16 A)
&rst
ixpk= 348, nxpk= 20, iat=1618, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:349 11 VAL HA 5.50 (# 349:20 Single Ambig)
&rst
ixpk= 349, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 618,
&end
#
# 11 VAL HB 11 VAL HA 5.50 (# 350:20 Unique 2.43, 2.59 A)
&rst
ixpk= 350, nxpk= 20, iat= 160, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 MET HB- 11 VAL HA 5.50 (# 352:20 Unique 5.25, 6.36 A)
&rst
ixpk= 352, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 752, 753,
&end
#
# 11 VAL MGY 11 VAL HA 4.50 (# 353:20 Unique 2.02, 3.39 A)
&rst
ixpk= 353, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HD- 11 VAL HA 5.50 (# 354:20 Unique 5.25, 5.97 A)
&rst
ixpk= 354, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1604,1605,
&end
#
# 11 VAL MGX 11 VAL HA 5.50 (# 355:20 Unique 2.02, 3.39 A)
&rst
ixpk= 355, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HB- 11 VAL HA 5.50 (# 356:20 Unique 3.13, 4.71 A)
&rst
ixpk= 356, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1598,1599,
&end
#
# 0 AMB 20-2:357 11 VAL HB 4.50 (# 357:20 Single Ambig)
&rst
ixpk= 357, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 162, 163, 164, 166, 167, 168, 192, 193, 194,
&end
#
# 11 VAL MGY 11 VAL HB 4.50 (# 358:20 Unique 2.22, 2.63 A)
&rst
ixpk= 358, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:360 11 VAL HB 5.50 (# 360:20 Single Ambig)
&rst
ixpk= 360, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1604,1605, 829, 830, 831, 833, 834, 835,1688,1689,
1690,1692,1693,1694,
&end
#
# 50 MET HG- 11 VAL HB 5.50 (# 361:20 Unique 2.06, 3.56 A)
&rst
ixpk= 361, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 755, 756,
&end
#
# 11 VAL HA 11 VAL HB 5.50 (# 363:20 Unique 2.43, 2.59 A)
&rst
ixpk= 363, nxpk= 20, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLY HN 11 VAL HB 5.50 (# 365:20 Unique 2.96, 3.40 A)
&rst
ixpk= 365, nxpk= 20, iat= 172, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 LYS HN 11 VAL HB 5.50 (# 366:20 Unique 3.60, 4.27 A)
&rst
ixpk= 366, nxpk= 20, iat=1594, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HN 11 VAL HB 5.50 (# 367:20 Unique 3.31, 3.80 A)
&rst
ixpk= 367, nxpk= 20, iat= 156, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HN 11 VAL MGX 4.50 (# 368:20 Unique 2.06, 3.69 A)
&rst
ixpk= 368, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 38 GLY HN 11 VAL MGX 5.50 (# 369:20 Unique 2.87, 5.40 A)
&rst
ixpk= 369, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 100 PHE HN 11 VAL MGX 5.50 (# 370:20 Unique 4.47, 7.44 A)
&rst
ixpk= 370, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 39 GLY HN 11 VAL MGX 5.50 (# 371:20 Unique 2.38, 4.43 A)
&rst
ixpk= 371, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:372 11 VAL MGX 5.50 (# 372:20 Single Ambig)
&rst
ixpk= 372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 748, 810,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HN 11 VAL MGX 5.50 (# 373:20 Unique 2.34, 4.81 A)
&rst
ixpk= 373, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 12 GLY HN 11 VAL MGX 5.50 (# 374:20 Unique 3.15, 4.89 A)
&rst
ixpk= 374, nxpk= 20, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:375 11 VAL MGX 5.50 (# 375:20 Single Ambig)
&rst
ixpk= 375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 773, 782, 847, 855,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL HA 11 VAL MGX 5.50 (# 376:20 Unique 2.02, 3.39 A)
&rst
ixpk= 376, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 10 ASN HA 11 VAL MGX 5.50 (# 377:20 Unique 3.00, 4.65 A)
&rst
ixpk= 377, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:378 11 VAL MGX 5.50 (# 378:20 Single Ambig)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 587,1618,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 13 ILE HA 11 VAL MGX 5.50 (# 379:20 Unique 4.73, 7.26 A)
&rst
ixpk= 379, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 50 MET HA 11 VAL MGX 4.50 (# 380:20 Unique 1.96, 3.17 A)
&rst
ixpk= 380, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 38 GLY HA- 11 VAL MGX 5.50 (# 381:20 Unique 1.95, 5.75 A)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 604, 605,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 51 TYR HA 11 VAL MGX 5.50 (# 382:20 Unique 4.92, 7.04 A)
&rst
ixpk= 382, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:383 11 VAL MGX 5.50 (# 383:20 Single Ambig)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 589, 590, 677, 678, 713, 714, 674, 675, 674, 675,
710, 711,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:384 11 VAL MGX 5.50 (# 384:20 Single Ambig)
&rst
ixpk= 384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 790, 791, 824, 825,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL HB 11 VAL MGX 3.50 (# 385:20 Unique 2.22, 2.63 A)
&rst
ixpk= 385, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:386 11 VAL MGX 3.50 (# 386:20 Single Ambig)
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 742, 743, 744, 755, 756,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:388 11 VAL MGX 4.50 (# 388:20 Single Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 752, 753, 814, 815, 816, 189, 190,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL HN 11 VAL MGY 5.50 (# 391:20 Unique 2.06, 3.69 A)
&rst
ixpk= 391, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 145 ARG HN 133 VAL MGX 5.50 (# 392:20 Unique 2.57, 5.17 A)
&rst
ixpk= 392, nxpk= 20, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 0 AMB 20-2:393 0 AMB 20-1:393 5.50 (# 393:20 Double Ambig)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2532, 706,
igr2=2549,2550,2551,2553,2554,2555, 162, 163, 164, 166,
167, 168,
&end
#
# 0 AMB 20-2:394 11 VAL MGY 5.50 (# 394:20 Single Ambig)
&rst
ixpk= 394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 748, 810,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:395 0 AMB 20-1:395 5.50 (# 395:20 Double Ambig)
&rst
ixpk= 395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1594,1399,
igr2= 162, 163, 164, 166, 167, 168,1491,1492,1493,1495,
1496,1497,
&end
#
# 0 AMB 20-2:396 0 AMB 20-1:396 5.50 (# 396:20 Double Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 172,1078,
igr2= 162, 163, 164, 166, 167, 168,2549,2550,2551,2553,
2554,2555,
&end
#
# 154 VAL HN 154 VAL MGX 3.50 (# 397:20 Unique 2.08, 3.85 A)
&rst
ixpk= 397, nxpk= 20, iat=2543, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2549,2550,2551,2553,2554,2555,
&end
#
# 74 TRP HH2 11 VAL MGY 3.50 (# 398:20 Unique 3.24, 5.34 A)
&rst
ixpk= 398, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 103 GLN HE2- 154 VAL MGX 5.50 (# 399:20 Unique 2.41, 6.71 A)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1710,1711,
igr2=2549,2550,2551,2553,2554,2555,
&end
#
# 11 VAL HA 11 VAL MGY 5.50 (# 400:20 Unique 2.02, 3.39 A)
&rst
ixpk= 400, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:401 0 AMB 20-1:401 5.50 (# 401:20 Double Ambig)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 618, 78, 79,2187,
igr2= 162, 163, 164, 166, 167, 168,1491,1492,1493,1495,
1496,1497,2175,2176,2177,2179,2180,2181,
&end
#
# 0 AMB 20-2:402 0 AMB 20-1:402 4.50 (# 402:20 Double Ambig)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 698,2596,2597,2596,2597,
igr2= 162, 163, 164, 166, 167, 168,2549,2550,2551,2553,
2554,2555,
&end
#
# 0 AMB 20-2:403 0 AMB 20-1:403 5.50 (# 403:20 Double Ambig)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 604, 605,2386,
igr2= 162, 163, 164, 166, 167, 168,2175,2176,2177,2179,
2180,2181,
&end
#
# 0 AMB 20-2:404 0 AMB 20-1:404 4.50 (# 404:20 Double Ambig)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2114,2115,1403,1404,2171,
igr2=2175,2176,2177,2179,2180,2181,1491,1492,1493,1495,
1496,1497,
&end
#
# 0 AMB 20-2:405 0 AMB 20-1:405 5.50 (# 405:20 Double Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=2506,2507,2394,2395,2394,2395,
igr2=2549,2550,2551,2553,2554,2555,2175,2176,2177,2179,
2180,2181,
&end
#
# 0 AMB 20-2:406 0 AMB 20-1:406 2.80 (# 406:20 Double Ambig)
&rst
ixpk= 406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2388,2389,2388,2389,2547,
igr2=2175,2176,2177,2179,2180,2181,2549,2550,2551,2553,
2554,2555,
&end
#
# 0 AMB 20-2:407 0 AMB 20-1:407 2.80 (# 407:20 Double Ambig)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2192,2193, 742, 743, 744, 755, 756,
igr2=2175,2176,2177,2179,2180,2181, 162, 163, 164, 166,
167, 168,
&end
#
# 0 AMB 20-2:410 0 AMB 20-1:410 5.50 (# 410:20 Double Ambig)
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1= 189, 190, 162, 163, 164, 166, 167, 168, 192, 193,
194,
igr2= 174, 175, 174, 175, 174, 175,
&end
#
# 0 AMB 20-2:411 12 GLY HA- 5.50 (# 411:20 Single Ambig)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 189, 190, 162, 163, 164, 166, 167, 168, 192, 193,
194,
igr2= 174, 175,
&end
#
# 0 AMB 20-2:413 0 AMB 20-1:413 5.50 (# 413:20 Double Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1581,1582, 589, 590,
igr2= 174, 175, 174, 175,
&end
#
# 0 AMB 20-2:414 12 GLY HA- 5.50 (# 414:20 Single Ambig)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1618, 587,
igr2= 174, 175,
&end
#
# 0 AMB 20-2:415 0 AMB 20-1:415 5.50 (# 415:20 Double Ambig)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1618, 587,
igr2= 174, 175, 174, 175,
&end
#
# 13 ILE HN 12 GLY HA- 5.50 (# 416:20 Unique 2.14, 2.65 A)
&rst
ixpk= 416, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 174, 175,
&end
#
# 13 ILE HN 12 GLY HA+ 5.50 (# 417:20 Unique 2.14, 2.65 A)
&rst
ixpk= 417, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 174, 175,
&end
#
# 38 GLY HN 12 GLY HA+ 5.50 (# 418:20 Unique 4.26, 5.46 A)
&rst
ixpk= 418, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 174, 175,
&end
#
# 38 GLY HN 12 GLY HA- 5.50 (# 419:20 Unique 4.26, 5.46 A)
&rst
ixpk= 419, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 174, 175,
&end
#
# 14 VAL HN 13 ILE HA 5.50 (# 420:20 Unique 2.14, 2.16 A)
&rst
ixpk= 420, nxpk= 20, iat= 198, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 PHE HN 13 ILE HA 5.50 (# 421:20 Unique 3.30, 3.81 A)
&rst
ixpk= 421, nxpk= 20, iat=1640, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ILE HN 13 ILE HA 5.50 (# 422:20 Unique 2.90, 2.92 A)
&rst
ixpk= 422, nxpk= 20, iat= 179, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ILE HG1- 13 ILE HA 5.50 (# 424:20 Unique 2.64, 3.24 A)
&rst
ixpk= 424, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 189, 190,
&end
#
# 50 MET HG- 13 ILE HA 5.50 (# 425:20 Unique 3.68, 4.60 A)
&rst
ixpk= 425, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 755, 756,
&end
#
# 0 AMB 20-2:426 13 ILE HA 5.50 (# 426:20 Single Ambig)
&rst
ixpk= 426, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 185, 186, 187, 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:427 13 ILE HA 5.50 (# 427:20 Single Ambig)
&rst
ixpk= 427, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 192, 193, 194, 189, 190,
&end
#
# 14 VAL MGX 13 ILE HA 5.50 (# 428:20 Unique 3.49, 5.47 A)
&rst
ixpk= 428, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 13 ILE HG1+ 13 ILE HB 4.50 (# 429:20 Unique 2.42, 2.46 A)
&rst
ixpk= 429, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 189, 190,
&end
#
# 13 ILE QG2 13 ILE HB 3.50 (# 430:20 Unique 2.24, 2.63 A)
&rst
ixpk= 430, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 185, 186, 187,
&end
#
# 0 AMB 20-2:431 13 ILE HB 5.50 (# 431:20 Single Ambig)
&rst
ixpk= 431, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 189, 190, 814, 815, 816,
&end
#
# 57 GLU HB+ 13 ILE HB 5.50 (# 433:20 Unique 3.60, 4.67 A)
&rst
ixpk= 433, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 878, 879,
&end
#
# 36 PRO HB+ 13 ILE HB 5.50 (# 434:20 Unique 2.13, 3.08 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 578, 579,
&end
#
# 0 AMB 20-2:435 13 ILE HB 5.50 (# 435:20 Single Ambig)
&rst
ixpk= 435, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 812,
&end
#
# 0 AMB 20-2:436 13 ILE HB 5.50 (# 436:20 Single Ambig)
&rst
ixpk= 436, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 181, 581,
&end
#
# 13 ILE HN 13 ILE HB 5.50 (# 439:20 Unique 2.26, 2.48 A)
&rst
ixpk= 439, nxpk= 20, iat= 179, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HN 13 ILE HB 5.50 (# 440:20 Unique 4.09, 4.27 A)
&rst
ixpk= 440, nxpk= 20, iat= 198, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:441 13 ILE HG1- 4.50 (# 441:20 Single Ambig)
&rst
ixpk= 441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 829, 830, 831, 833, 834, 835, 829, 830, 831, 833,
834, 835, 185, 186, 187,
igr2= 189, 190,
&end
#
# 0 AMB 20-2:442 0 AMB 20-1:442 4.50 (# 442:20 Double Ambig)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 829, 830, 831, 833, 834, 835, 829, 830, 831, 833,
834, 835, 185, 186, 187,
igr2= 189, 190, 189, 190, 189, 190,
&end
#
# 0 AMB 20-2:443 0 AMB 20-1:443 5.50 (# 443:20 Double Ambig)
&rst
ixpk= 443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 824, 825, 183,
igr2= 189, 190, 189, 190,
&end
#
# 0 AMB 20-2:444 0 AMB 20-1:444 5.50 (# 444:20 Double Ambig)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 755, 756, 827,
igr2= 189, 190, 189, 190,
&end
#
# 0 AMB 20-2:445 13 ILE HG1- 5.50 (# 445:20 Single Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 916, 917,1943,1944, 946, 947,
igr2= 189, 190,
&end
#
# 0 AMB 20-2:446 13 ILE HG1- 5.50 (# 446:20 Single Ambig)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 755, 756, 827,
igr2= 189, 190,
&end
#
# 36 PRO HB- 13 ILE HG1+ 5.50 (# 448:20 Unique 2.79, 4.74 A)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 578, 579,
igr2= 189, 190,
&end
#
# 13 ILE HA 13 ILE HG1- 5.50 (# 451:20 Unique 2.64, 3.24 A)
&rst
ixpk= 451, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 189, 190,
&end
#
# 13 ILE HA 13 ILE HG1+ 5.50 (# 452:20 Unique 2.64, 3.24 A)
&rst
ixpk= 452, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 189, 190,
&end
#
# 13 ILE HN 13 ILE HG1- 5.50 (# 456:20 Unique 2.34, 3.62 A)
&rst
ixpk= 456, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 189, 190,
&end
#
# 13 ILE HN 13 ILE HG1+ 5.50 (# 457:20 Unique 2.34, 3.62 A)
&rst
ixpk= 457, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 189, 190,
&end
#
# 14 VAL HN 13 ILE HG1+ 5.50 (# 459:20 Unique 4.64, 5.03 A)
&rst
ixpk= 459, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 189, 190,
&end
#
# 14 VAL HN 13 ILE QD1 5.50 (# 460:20 Unique 3.10, 4.19 A)
&rst
ixpk= 460, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 192, 193, 194,
&end
#
# 54 LEU HN 13 ILE QD1 5.50 (# 461:20 Unique 2.16, 4.33 A)
&rst
ixpk= 461, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:462 0 AMB 20-1:462 5.50 (# 462:20 Double Ambig)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 810, 83,
igr2= 192, 193, 194,1525,1526,1527,
&end
#
# 0 AMB 20-2:463 13 ILE QD1 5.50 (# 463:20 Single Ambig)
&rst
ixpk= 463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 179, 839,
igr2= 192, 193, 194,
&end
#
# 51 TYR HD 13 ILE QD1 5.50 (# 464:20 Unique 4.29, 6.25 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 773, 782,
igr2= 192, 193, 194,
&end
#
# 13 ILE HA 13 ILE QD1 5.50 (# 465:20 Unique 1.95, 2.82 A)
&rst
ixpk= 465, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 192, 193, 194,
&end
#
# 54 LEU HA 13 ILE QD1 5.50 (# 466:20 Unique 2.25, 4.12 A)
&rst
ixpk= 466, nxpk= 20, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 192, 193, 194,
&end
#
# 50 MET HA 13 ILE QD1 5.50 (# 467:20 Unique 3.44, 4.73 A)
&rst
ixpk= 467, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 192, 193, 194,
&end
#
# 36 PRO HB+ 13 ILE QD1 5.50 (# 468:20 Unique 4.79, 6.65 A)
&rst
ixpk= 468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 578, 579,
igr2= 192, 193, 194,
&end
#
# 50 MET HG+ 13 ILE QD1 2.80 (# 469:20 Unique 1.99, 3.96 A)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 755, 756,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:470 13 ILE QD1 2.80 (# 470:20 Single Ambig)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 824, 825, 755, 756,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:471 13 ILE QD1 2.80 (# 471:20 Single Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 189, 190, 814, 815, 816,
igr2= 192, 193, 194,
&end
#
# 102 LEU HN 13 ILE QG2 5.50 (# 472:20 Unique 4.49, 6.13 A)
&rst
ixpk= 472, nxpk= 20, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 185, 186, 187,
&end
#
# 15 ILE HN 13 ILE QG2 5.50 (# 473:20 Unique 2.89, 3.67 A)
&rst
ixpk= 473, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 185, 186, 187,
&end
#
# 14 VAL HN 13 ILE QG2 4.50 (# 474:20 Unique 2.23, 3.45 A)
&rst
ixpk= 474, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 185, 186, 187,
&end
#
# 105 VAL HN 105 VAL MGX 3.50 (# 475:20 Unique 1.98, 3.73 A)
&rst
ixpk= 475, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 66 ARG HN 105 VAL MGX 4.50 (# 476:20 Unique 3.05, 5.39 A)
&rst
ixpk= 476, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 20-2:477 0 AMB 20-1:477 5.50 (# 477:20 Double Ambig)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1715, 874,1640,
igr2=1740,1741,1742,1744,1745,1746, 185, 186, 187,
&end
#
# 64 ASP HN 105 VAL MGX 5.50 (# 478:20 Unique 4.48, 6.99 A)
&rst
ixpk= 478, nxpk= 20, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 13 ILE HN 13 ILE QG2 5.50 (# 479:20 Unique 3.93, 4.52 A)
&rst
ixpk= 479, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 185, 186, 187,
&end
#
# 106 SER HN 105 VAL MGX 5.50 (# 480:20 Unique 2.18, 4.81 A)
&rst
ixpk= 480, nxpk= 20, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 65 VAL HN 105 VAL MGX 5.50 (# 481:20 Unique 2.91, 5.22 A)
&rst
ixpk= 481, nxpk= 20, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 20-2:482 0 AMB 20-1:482 5.50 (# 482:20 Double Ambig)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.97, r4=11.47,
igr1= 773, 782,1029,1710,1711, 847, 855,
igr2= 185, 186, 187,1740,1741,1742,1744,1745,1746,
&end
#
# 65 VAL HA 105 VAL MGX 4.50 (# 483:20 Unique 1.93, 4.27 A)
&rst
ixpk= 483, nxpk= 20, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 20-2:484 0 AMB 20-1:484 3.50 (# 484:20 Double Ambig)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 181,1717,
igr2= 185, 186, 187,1740,1741,1742,1744,1745,1746,
&end
#
# 64 ASP HA 105 VAL MGX 3.50 (# 485:20 Unique 2.53, 5.10 A)
&rst
ixpk= 485, nxpk= 20, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 105 VAL HA 105 VAL MGX 4.50 (# 486:20 Unique 2.18, 3.17 A)
&rst
ixpk= 486, nxpk= 20, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 106 SER HB- 105 VAL MGX 5.50 (# 487:20 Unique 3.22, 6.85 A)
&rst
ixpk= 487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1754,1755,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 20-2:488 105 VAL MGX 5.50 (# 488:20 Single Ambig)
&rst
ixpk= 488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1026,1027,1026,1027, 268, 269, 268, 269,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 20-2:490 13 ILE QG2 5.50 (# 490:20 Single Ambig)
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1644,1645,1644,1645, 769, 770,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:491 0 AMB 20-1:491 2.80 (# 491:20 Double Ambig)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1738, 343, 344,
igr2=1740,1741,1742,1744,1745,1746, 185, 186, 187,
&end
#
# 54 LEU HB+ 13 ILE QG2 4.50 (# 492:20 Unique 2.18, 5.86 A)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 824, 825,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:493 13 ILE QG2 4.50 (# 493:20 Single Ambig)
&rst
ixpk= 493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 578, 579, 218,
igr2= 185, 186, 187,
&end
#
# 15 ILE HG1- 13 ILE QG2 2.80 (# 494:20 Unique 2.24, 3.34 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 224, 225,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:495 13 ILE QG2 2.80 (# 495:20 Single Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 824, 825, 183,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:496 13 ILE QG2 4.50 (# 496:20 Single Ambig)
&rst
ixpk= 496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 189, 190, 350, 351, 352,
igr2= 185, 186, 187,
&end
#
# 14 VAL MGX 14 VAL HA 5.50 (# 499:20 Unique 2.04, 3.12 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL MGY 14 VAL HA 5.50 (# 500:20 Unique 2.04, 3.12 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:501 14 VAL HA 5.50 (# 501:20 Single Ambig)
&rst
ixpk= 501, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 185, 186, 187, 227, 228, 229,
&end
#
# 14 VAL HB 14 VAL HA 5.50 (# 502:20 Unique 2.94, 3.00 A)
&rst
ixpk= 502, nxpk= 20, iat= 202, 200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HN 14 VAL HA 5.50 (# 503:20 Unique 2.93, 2.94 A)
&rst
ixpk= 503, nxpk= 20, iat= 198, 200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ILE HN 14 VAL HA 5.50 (# 504:20 Unique 2.27, 2.28 A)
&rst
ixpk= 504, nxpk= 20, iat= 214, 200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG HN 81 LYS HB+ 4.50 (# 506:20 Unique 2.28, 4.16 A)
&rst
ixpk= 506, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1298,1299,
&end
#
# 0 AMB 20-2:507 0 AMB 20-1:507 5.50 (# 507:20 Double Ambig)
&rst
ixpk= 507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1226,1235, 446, 454, 847, 855,
igr2=1542,1543,1929,1930,
&end
#
# 0 AMB 20-2:509 0 AMB 20-1:509 5.50 (# 509:20 Double Ambig)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1196, 138,
igr2=1542,1543,1542,1543,
&end
#
# 81 LYS HA 81 LYS HB+ 3.50 (# 510:20 Unique 2.27, 2.70 A)
&rst
ixpk= 510, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1298,1299,
&end
#
# 0 AMB 20-2:511 0 AMB 20-1:511 5.50 (# 511:20 Double Ambig)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 114, 115,1923,1924,
igr2=1542,1543,1929,1930,
&end
#
# 119 PRO HD- 119 PRO HB- 5.50 (# 512:20 Unique 2.98, 3.70 A)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1923,1924,
igr2=1929,1930,
&end
#
# 14 VAL MGX 14 VAL HB 5.50 (# 514:20 Unique 2.22, 2.63 A)
&rst
ixpk= 514, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:516 0 AMB 20-1:516 3.50 (# 516:20 Double Ambig)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1301,1302,1926,1927, 111, 112,
igr2=1298,1299,1929,1930,1542,1543,
&end
#
# 0 AMB 20-2:517 0 AMB 20-1:517 3.50 (# 517:20 Double Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1304,1305,1304,1305,1926,1927,
igr2=1298,1299,1298,1299,1929,1930,
&end
#
# 102 LEU HN 14 VAL MGX 5.50 (# 518:20 Unique 3.74, 5.26 A)
&rst
ixpk= 518, nxpk= 20, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 15 ILE HN 14 VAL MGX 5.50 (# 519:20 Unique 3.57, 4.93 A)
&rst
ixpk= 519, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HN 14 VAL MGX 5.50 (# 520:20 Unique 2.53, 4.13 A)
&rst
ixpk= 520, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 100 PHE HN 14 VAL MGX 5.50 (# 521:20 Unique 2.53, 5.33 A)
&rst
ixpk= 521, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 101 LEU HN 14 VAL MGX 5.50 (# 522:20 Unique 3.92, 6.03 A)
&rst
ixpk= 522, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 13 ILE HN 14 VAL MGX 5.50 (# 523:20 Unique 3.52, 6.07 A)
&rst
ixpk= 523, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:524 14 VAL MGX 5.50 (# 524:20 Single Ambig)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1629, 306,2559,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 99 TRP HH2 14 VAL MGX 5.50 (# 525:20 Unique 4.75, 7.11 A)
&rst
ixpk= 525, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 99 TRP HE3 14 VAL MGX 4.50 (# 526:20 Unique 1.97, 3.60 A)
&rst
ixpk= 526, nxpk= 20, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:528 14 VAL MGX 4.50 (# 528:20 Single Ambig)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2371,2380,1710,1711,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 15 ILE HA 14 VAL MGX 5.50 (# 529:20 Unique 4.36, 6.13 A)
&rst
ixpk= 529, nxpk= 20, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 101 LEU HA 14 VAL MGX 5.50 (# 530:20 Unique 2.62, 4.24 A)
&rst
ixpk= 530, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 13 ILE HA 14 VAL MGX 5.50 (# 531:20 Unique 3.49, 5.47 A)
&rst
ixpk= 531, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:532 14 VAL MGX 5.50 (# 532:20 Single Ambig)
&rst
ixpk= 532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2450, 341,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HA 14 VAL MGX 5.50 (# 533:20 Unique 2.04, 3.12 A)
&rst
ixpk= 533, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 99 TRP HB+ 14 VAL MGX 5.50 (# 534:20 Unique 1.98, 5.05 A)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1620,1621,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 151 PHE HB- 14 VAL MGX 5.50 (# 535:20 Unique 3.71, 7.36 A)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2506,2507,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 99 TRP HB- 14 VAL MGX 5.50 (# 536:20 Unique 1.98, 5.05 A)
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1620,1621,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HB 14 VAL MGX 4.50 (# 537:20 Unique 2.22, 2.63 A)
&rst
ixpk= 537, nxpk= 20, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:538 14 VAL MGX 5.50 (# 538:20 Single Ambig)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 183, 755, 756,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:539 14 VAL MGX 5.50 (# 539:20 Single Ambig)
&rst
ixpk= 539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2563, 755, 756,2526,2527,2528,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 148 MET ME 14 VAL MGX 5.50 (# 540:20 Unique 3.94, 7.14 A)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2459,2460,2461,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 101 LEU HG 14 VAL MGX 5.50 (# 541:20 Unique 2.15, 5.98 A)
&rst
ixpk= 541, nxpk= 20, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 22 VAL MGY 14 VAL MGX 5.50 (# 542:20 Unique 2.08, 6.17 A)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 147 VAL MGX 14 VAL MGX 4.50 (# 543:20 Unique 1.98, 5.15 A)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2438,2439,2440,2442,2443,2444,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 147 VAL MGY 14 VAL MGX 5.50 (# 544:20 Unique 1.98, 5.15 A)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2438,2439,2440,2442,2443,2444,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 102 LEU HN 14 VAL MGY 5.50 (# 546:20 Unique 3.74, 5.26 A)
&rst
ixpk= 546, nxpk= 20, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 16 CYS HN 14 VAL MGY 5.50 (# 547:20 Unique 3.97, 6.57 A)
&rst
ixpk= 547, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 15 ILE HN 14 VAL MGY 5.50 (# 548:20 Unique 3.57, 4.93 A)
&rst
ixpk= 548, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HN 14 VAL MGY 5.50 (# 549:20 Unique 2.53, 4.13 A)
&rst
ixpk= 549, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:550 14 VAL MGY 5.50 (# 550:20 Single Ambig)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1629, 306,2559,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 103 GLN HE2+ 14 VAL MGY 5.50 (# 551:20 Unique 6.06, 8.84 A)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1710,1711,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 99 TRP HE3 14 VAL MGY 5.50 (# 552:20 Unique 1.97, 3.60 A)
&rst
ixpk= 552, nxpk= 20, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:554 14 VAL MGY 5.50 (# 554:20 Single Ambig)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2371,2380,1710,1711,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 22 VAL HA 14 VAL MGY 5.50 (# 555:20 Unique 3.17, 5.76 A)
&rst
ixpk= 555, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 129 TYR HE 14 VAL MGY 5.50 (# 556:20 Unique 3.15, 7.31 A)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2099,2104,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 101 LEU HA 14 VAL MGY 5.50 (# 557:20 Unique 2.62, 4.24 A)
&rst
ixpk= 557, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HA 14 VAL MGY 5.50 (# 558:20 Unique 2.04, 3.12 A)
&rst
ixpk= 558, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 16 CYS HB- 14 VAL MGY 5.50 (# 559:20 Unique 3.81, 7.38 A)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 237, 238,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 22 VAL HB 14 VAL MGY 5.50 (# 560:20 Unique 2.55, 5.88 A)
&rst
ixpk= 560, nxpk= 20, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HB 14 VAL MGY 4.50 (# 561:20 Unique 2.22, 2.63 A)
&rst
ixpk= 561, nxpk= 20, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 148 MET ME 14 VAL MGY 4.50 (# 562:20 Unique 3.94, 7.14 A)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2459,2460,2461,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:563 14 VAL MGY 5.50 (# 563:20 Single Ambig)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 189, 190, 350, 351, 352,1063,1064,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:564 14 VAL MGY 5.50 (# 564:20 Single Ambig)
&rst
ixpk= 564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1667,1664,1665,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 22 VAL MGX 127 VAL MGY 5.50 (# 565:20 Unique 1.99, 6.61 A)
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 329, 330, 331, 333, 334, 335,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 147 VAL MGX 14 VAL MGY 5.50 (# 567:20 Unique 1.98, 5.15 A)
&rst
ixpk= 567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2438,2439,2440,2442,2443,2444,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 84 VAL MGX 93 ILE HB 5.50 (# 568:20 Unique 4.42, 6.39 A)
&rst
ixpk= 568, nxpk= 20, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 91 VAL MGX 93 ILE HB 5.50 (# 569:20 Unique 4.56, 6.79 A)
&rst
ixpk= 569, nxpk= 20, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 0 AMB 20-2:570 93 ILE HB 3.50 (# 570:20 Single Ambig)
&rst
ixpk= 570, nxpk= 20, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1525,1526,1527,1522,1523,
&end
#
# 0 AMB 20-2:571 0 AMB 20-1:571 4.50 (# 571:20 Double Ambig)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1522,1523, 895, 896, 897, 899, 900, 901, 895, 896,
897, 899, 900, 901,
igr2=1516, 218,
&end
#
# 15 ILE QG2 15 ILE HB 4.50 (# 572:20 Unique 2.22, 2.63 A)
&rst
ixpk= 572, nxpk= 20, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 220, 221, 222,
&end
#
# 0 AMB 20-2:573 0 AMB 20-1:573 2.80 (# 573:20 Double Ambig)
&rst
ixpk= 573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1518,1519,1520, 224, 225,
igr2=1516, 218,
&end
#
# 102 LEU HB- 15 ILE HB 5.50 (# 574:20 Unique 4.80, 5.68 A)
&rst
ixpk= 574, nxpk= 20, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1683,1684,
&end
#
# 15 ILE HG1- 15 ILE HB 5.50 (# 575:20 Unique 2.29, 2.46 A)
&rst
ixpk= 575, nxpk= 20, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 224, 225,
&end
#
# 0 AMB 20-2:576 0 AMB 20-1:576 5.50 (# 576:20 Double Ambig)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 919,1686, 248, 249,1198,1199,
igr2= 218,1516,
&end
#
# 93 ILE HA 93 ILE HB 4.50 (# 577:20 Unique 2.30, 2.42 A)
&rst
ixpk= 577, nxpk= 20, iat=1514,1516, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 GLY HN 93 ILE HB 5.50 (# 579:20 Unique 4.01, 4.35 A)
&rst
ixpk= 579, nxpk= 20, iat=1531,1516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ILE HN 93 ILE HB 5.50 (# 580:20 Unique 3.60, 3.69 A)
&rst
ixpk= 580, nxpk= 20, iat=1512,1516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HN 15 ILE HB 5.50 (# 581:20 Unique 3.14, 3.75 A)
&rst
ixpk= 581, nxpk= 20, iat= 339, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ILE HN 15 ILE HB 5.50 (# 582:20 Unique 2.23, 2.42 A)
&rst
ixpk= 582, nxpk= 20, iat= 214, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 CYS HN 15 ILE HB 5.50 (# 583:20 Unique 4.09, 4.35 A)
&rst
ixpk= 583, nxpk= 20, iat= 233, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ILE HN 15 ILE HG1+ 5.50 (# 584:20 Unique 2.38, 3.22 A)
&rst
ixpk= 584, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 224, 225,
&end
#
# 15 ILE HN 15 ILE HG1- 5.50 (# 585:20 Unique 2.38, 3.22 A)
&rst
ixpk= 585, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 224, 225,
&end
#
# 15 ILE HA 15 ILE HG1- 5.50 (# 586:20 Unique 2.60, 3.25 A)
&rst
ixpk= 586, nxpk= 20, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 224, 225,
&end
#
# 15 ILE HA 15 ILE HG1+ 5.50 (# 587:20 Unique 2.60, 3.25 A)
&rst
ixpk= 587, nxpk= 20, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 224, 225,
&end
#
# 15 ILE HB 15 ILE HG1+ 5.50 (# 588:20 Unique 2.29, 2.46 A)
&rst
ixpk= 588, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 224, 225,
&end
#
# 0 AMB 20-2:589 0 AMB 20-1:589 5.50 (# 589:20 Double Ambig)
&rst
ixpk= 589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 970, 971, 218,
igr2= 976, 977, 224, 225,
&end
#
# 15 ILE QG2 15 ILE HG1+ 5.50 (# 590:20 Unique 2.39, 3.54 A)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 220, 221, 222,
igr2= 224, 225,
&end
#
# 15 ILE QG2 15 ILE HG1- 5.50 (# 591:20 Unique 2.39, 3.54 A)
&rst
ixpk= 591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 220, 221, 222,
igr2= 224, 225,
&end
#
# 102 LEU HN 15 ILE QD1 5.50 (# 592:20 Unique 3.55, 4.87 A)
&rst
ixpk= 592, nxpk= 20, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 227, 228, 229,
&end
#
# 15 ILE HN 15 ILE QD1 5.50 (# 593:20 Unique 3.82, 4.67 A)
&rst
ixpk= 593, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 227, 228, 229,
&end
#
# 16 CYS HN 15 ILE QD1 5.50 (# 594:20 Unique 2.50, 4.64 A)
&rst
ixpk= 594, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 227, 228, 229,
&end
#
# 105 VAL HN 15 ILE QD1 5.50 (# 595:20 Unique 4.04, 5.78 A)
&rst
ixpk= 595, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 227, 228, 229,
&end
#
# 104 LEU HN 15 ILE QD1 5.50 (# 596:20 Unique 3.08, 5.43 A)
&rst
ixpk= 596, nxpk= 20, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 227, 228, 229,
&end
#
# 15 ILE HA 15 ILE QD1 5.50 (# 598:20 Unique 1.98, 2.98 A)
&rst
ixpk= 598, nxpk= 20, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 227, 228, 229,
&end
#
# 104 LEU HA 15 ILE QD1 5.50 (# 599:20 Unique 2.38, 4.41 A)
&rst
ixpk= 599, nxpk= 20, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:600 15 ILE QD1 5.50 (# 600:20 Single Ambig)
&rst
ixpk= 600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 893, 878, 879,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:601 15 ILE QD1 5.50 (# 601:20 Single Ambig)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1719,1720, 343, 344,
igr2= 227, 228, 229,
&end
#
# 15 ILE HB 15 ILE QD1 3.50 (# 602:20 Unique 3.57, 3.91 A)
&rst
ixpk= 602, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 227, 228, 229,
&end
#
# 102 LEU HG 15 ILE QD1 5.50 (# 603:20 Unique 2.15, 4.37 A)
&rst
ixpk= 603, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:604 15 ILE QD1 3.50 (# 604:20 Single Ambig)
&rst
ixpk= 604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1683,1684, 224, 225,
igr2= 227, 228, 229,
&end
#
# 23 MET ME 15 ILE QD1 5.50 (# 605:20 Unique 3.28, 6.99 A)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 350, 351, 352,
igr2= 227, 228, 229,
&end
#
# 104 LEU MDY 15 ILE QD1 5.50 (# 606:20 Unique 3.00, 6.70 A)
&rst
ixpk= 606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1724,1725,1726,1728,1729,1730,
igr2= 227, 228, 229,
&end
#
# 15 ILE QG2 15 ILE QD1 3.50 (# 607:20 Unique 2.06, 3.51 A)
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 220, 221, 222,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:608 15 ILE QD1 5.50 (# 608:20 Single Ambig)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2= 227, 228, 229,
&end
#
# 111 ILE QD1 15 ILE QD1 5.50 (# 609:20 Unique 4.79, 7.66 A)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1818,1819,1820,
igr2= 227, 228, 229,
&end
#
# 16 CYS HN 15 ILE QG2 4.50 (# 610:20 Unique 2.30, 3.79 A)
&rst
ixpk= 610, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 220, 221, 222,
&end
#
# 15 ILE HN 15 ILE QG2 5.50 (# 611:20 Unique 3.90, 4.51 A)
&rst
ixpk= 611, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 220, 221, 222,
&end
#
# 23 MET HN 15 ILE QG2 5.50 (# 612:20 Unique 3.63, 5.44 A)
&rst
ixpk= 612, nxpk= 20, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 220, 221, 222,
&end
#
# 0 AMB 20-2:613 15 ILE QG2 5.50 (# 613:20 Single Ambig)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1698, 198,
igr2= 220, 221, 222,
&end
#
# 104 LEU HN 15 ILE QG2 5.50 (# 614:20 Unique 2.79, 4.24 A)
&rst
ixpk= 614, nxpk= 20, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 220, 221, 222,
&end
#
# 126 TRP HZ2 15 ILE QG2 5.50 (# 615:20 Unique 4.74, 6.35 A)
&rst
ixpk= 615, nxpk= 20, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 220, 221, 222,
&end
#
# 126 TRP HH2 15 ILE QG2 5.50 (# 616:20 Unique 3.05, 5.71 A)
&rst
ixpk= 616, nxpk= 20, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 220, 221, 222,
&end
#
# 17 ASN HD2+ 15 ILE QG2 5.50 (# 617:20 Unique 2.65, 4.72 A)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 253, 254,
igr2= 220, 221, 222,
&end
#
# 15 ILE HA 15 ILE QG2 5.50 (# 618:20 Unique 2.40, 3.20 A)
&rst
ixpk= 618, nxpk= 20, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 220, 221, 222,
&end
#
# 103 GLN HA 15 ILE QG2 5.50 (# 619:20 Unique 4.04, 5.30 A)
&rst
ixpk= 619, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 220, 221, 222,
&end
#
# 104 LEU HA 15 ILE QG2 5.50 (# 620:20 Unique 2.68, 3.74 A)
&rst
ixpk= 620, nxpk= 20, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 220, 221, 222,
&end
#
# 16 CYS HB- 15 ILE QG2 5.50 (# 621:20 Unique 4.46, 6.23 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 237, 238,
igr2= 220, 221, 222,
&end
#
# 0 AMB 20-2:622 15 ILE QG2 4.50 (# 622:20 Single Ambig)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1719,1720, 343, 344, 343, 344,
igr2= 220, 221, 222,
&end
#
# 15 ILE HB 15 ILE QG2 3.50 (# 623:20 Unique 2.22, 2.63 A)
&rst
ixpk= 623, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 220, 221, 222,
&end
#
# 15 ILE HG1- 15 ILE QG2 4.50 (# 624:20 Unique 2.39, 3.54 A)
&rst
ixpk= 624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 224, 225,
igr2= 220, 221, 222,
&end
#
# 104 LEU HB- 15 ILE QG2 4.50 (# 625:20 Unique 2.01, 3.73 A)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1719,1720,
igr2= 220, 221, 222,
&end
#
# 0 AMB 20-2:626 15 ILE QG2 4.50 (# 626:20 Single Ambig)
&rst
ixpk= 626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2= 220, 221, 222,
&end
#
# 15 ILE QD1 15 ILE QG2 2.80 (# 627:20 Unique 2.06, 3.51 A)
&rst
ixpk= 627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 227, 228, 229,
igr2= 220, 221, 222,
&end
#
# 16 CYS HN 16 CYS HA 5.50 (# 628:20 Unique 2.92, 2.93 A)
&rst
ixpk= 628, nxpk= 20, iat= 233, 235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HN 16 CYS HA 5.50 (# 629:20 Unique 3.63, 4.09 A)
&rst
ixpk= 629, nxpk= 20, iat= 339, 235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HN 16 CYS HA 4.50 (# 630:20 Unique 2.14, 2.16 A)
&rst
ixpk= 630, nxpk= 20, iat= 244, 235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLN HN 16 CYS HA 5.50 (# 631:20 Unique 3.34, 4.01 A)
&rst
ixpk= 631, nxpk= 20, iat= 306, 235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HE2+ 16 CYS HA 5.50 (# 632:20 Unique 4.33, 5.30 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1710,1711,
&end
#
# 22 VAL HA 16 CYS HA 5.50 (# 633:20 Unique 2.69, 3.41 A)
&rst
ixpk= 633, nxpk= 20, iat= 325, 235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ILE HA 16 CYS HA 5.50 (# 635:20 Unique 4.38, 4.41 A)
&rst
ixpk= 635, nxpk= 20, iat= 216, 235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 CYS HB+ 16 CYS HA 5.50 (# 636:20 Unique 2.29, 2.74 A)
&rst
ixpk= 636, nxpk= 20, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 238,
&end
#
# 16 CYS HB- 16 CYS HA 5.50 (# 637:20 Unique 2.29, 2.74 A)
&rst
ixpk= 637, nxpk= 20, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 238,
&end
#
# 0 AMB 20-2:638 16 CYS HA 5.50 (# 638:20 Single Ambig)
&rst
ixpk= 638, nxpk= 20, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 310, 311, 327,
&end
#
# 22 VAL MGY 16 CYS HA 5.50 (# 640:20 Unique 3.92, 6.31 A)
&rst
ixpk= 640, nxpk= 20, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 101 LEU MDX 16 CYS HA 5.50 (# 641:20 Unique 4.58, 6.21 A)
&rst
ixpk= 641, nxpk= 20, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1669,1670,1671,1673,1674,1675,
&end
#
# 101 LEU MDX 16 CYS HB+ 5.50 (# 642:20 Unique 2.13, 4.58 A)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2= 237, 238,
&end
#
# 101 LEU MDX 16 CYS HB- 5.50 (# 643:20 Unique 2.13, 4.58 A)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2= 237, 238,
&end
#
# 155 VAL MGX 16 CYS HB+ 5.50 (# 644:20 Unique 1.96, 4.18 A)
&rst
ixpk= 644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2565,2566,2567,2569,2570,2571,
igr2= 237, 238,
&end
#
# 22 VAL MGY 16 CYS HB+ 5.50 (# 645:20 Unique 3.81, 7.71 A)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 237, 238,
&end
#
# 155 VAL MGX 0 AMB 20-1:646 5.50 (# 646:20 Single Ambig)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2565,2566,2567,2569,2570,2571,
igr2= 237, 238,2582,2583,
&end
#
# 22 VAL MGY 16 CYS HB- 5.50 (# 647:20 Unique 3.81, 7.71 A)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:648 0 AMB 20-1:648 5.50 (# 648:20 Double Ambig)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
igr1=2565,2566,2567,2569,2570,2571,1667,
igr2= 237, 238,2582,2583,
&end
#
# 0 AMB 20-2:649 0 AMB 20-1:649 5.50 (# 649:20 Double Ambig)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
igr1=2565,2566,2567,2569,2570,2571,1667,
igr2= 237, 238, 237, 238,
&end
#
# 0 AMB 20-2:650 0 AMB 20-1:650 5.50 (# 650:20 Double Ambig)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 262, 263, 265, 266,
igr2= 237, 238, 237, 238,
&end
#
# 22 VAL HA 16 CYS HB+ 5.50 (# 652:20 Unique 4.04, 5.30 A)
&rst
ixpk= 652, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 22 VAL HA 16 CYS HB- 5.50 (# 653:20 Unique 4.04, 5.30 A)
&rst
ixpk= 653, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 16 CYS HA 16 CYS HB+ 5.50 (# 654:20 Unique 2.29, 2.74 A)
&rst
ixpk= 654, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 16 CYS HA 16 CYS HB- 5.50 (# 655:20 Unique 2.29, 2.74 A)
&rst
ixpk= 655, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 17 ASN HN 16 CYS HB- 5.50 (# 656:20 Unique 2.91, 3.84 A)
&rst
ixpk= 656, nxpk= 20, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 17 ASN HN 16 CYS HB+ 5.50 (# 657:20 Unique 2.91, 3.84 A)
&rst
ixpk= 657, nxpk= 20, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 16 CYS HN 16 CYS HB+ 5.50 (# 658:20 Unique 2.23, 3.01 A)
&rst
ixpk= 658, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 16 CYS HN 16 CYS HB- 5.50 (# 659:20 Unique 2.23, 3.01 A)
&rst
ixpk= 659, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 238,
&end
#
# 18 ARG HN 17 ASN HA 5.50 (# 660:20 Unique 2.33, 2.83 A)
&rst
ixpk= 660, nxpk= 20, iat= 258, 246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HN 17 ASN HA 5.50 (# 661:20 Unique 2.79, 2.89 A)
&rst
ixpk= 661, nxpk= 20, iat= 244, 246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HB+ 17 ASN HA 5.50 (# 662:20 Unique 2.26, 2.65 A)
&rst
ixpk= 662, nxpk= 20, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 248, 249,
&end
#
# 0 AMB 20-2:663 17 ASN HA 5.50 (# 663:20 Single Ambig)
&rst
ixpk= 663, nxpk= 20, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 262, 263,1702,1703, 286, 287,
&end
#
# 17 ASN HB- 17 ASN HA 5.50 (# 665:20 Unique 2.26, 2.65 A)
&rst
ixpk= 665, nxpk= 20, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 248, 249,
&end
#
# 18 ARG HG+ 17 ASN HB+ 5.50 (# 666:20 Unique 2.39, 5.01 A)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 265, 266,
igr2= 248, 249,
&end
#
# 18 ARG HG+ 17 ASN HB- 5.50 (# 667:20 Unique 2.39, 5.01 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 265, 266,
igr2= 248, 249,
&end
#
# 17 ASN HA 17 ASN HB+ 5.50 (# 668:20 Unique 2.26, 2.65 A)
&rst
ixpk= 668, nxpk= 20, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 248, 249,
&end
#
# 17 ASN HA 17 ASN HB- 5.50 (# 669:20 Unique 2.26, 2.65 A)
&rst
ixpk= 669, nxpk= 20, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 248, 249,
&end
#
# 17 ASN HD2+ 17 ASN HB- 5.50 (# 671:20 Unique 2.12, 3.38 A)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 253, 254,
igr2= 248, 249,
&end
#
# 17 ASN HD2+ 17 ASN HB+ 5.50 (# 672:20 Unique 2.12, 3.38 A)
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 253, 254,
igr2= 248, 249,
&end
#
# 18 ARG HN 17 ASN HB- 5.50 (# 673:20 Unique 1.90, 3.64 A)
&rst
ixpk= 673, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 248, 249,
&end
#
# 18 ARG HN 17 ASN HB+ 5.50 (# 674:20 Unique 1.90, 3.64 A)
&rst
ixpk= 674, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 248, 249,
&end
#
# 0 AMB 20-2:675 18 ARG HA 5.50 (# 675:20 Single Ambig)
&rst
ixpk= 675, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2612,2613,2614,2616,2617,2618,2565,2566,2567,2569,
2570,2571,
&end
#
# 18 ARG HG- 18 ARG HA 4.50 (# 676:20 Unique 2.64, 3.38 A)
&rst
ixpk= 676, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 265, 266,
&end
#
# 0 AMB 20-2:677 18 ARG HA 3.50 (# 677:20 Single Ambig)
&rst
ixpk= 677, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 262, 263, 265, 266,
&end
#
# 18 ARG HB+ 18 ARG HA 4.50 (# 678:20 Unique 2.25, 2.59 A)
&rst
ixpk= 678, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 262, 263,
&end
#
# 0 AMB 20-2:679 18 ARG HA 5.50 (# 679:20 Single Ambig)
&rst
ixpk= 679, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2626,2627, 289, 290,
&end
#
# 0 AMB 20-2:680 18 ARG HA 5.50 (# 680:20 Single Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 268, 269, 268, 269,
&end
#
# 17 ASN HA 18 ARG HA 5.50 (# 681:20 Unique 4.30, 4.68 A)
&rst
ixpk= 681, nxpk= 20, iat= 246, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HE2- 18 ARG HA 5.50 (# 682:20 Unique 3.33, 5.19 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1710,1711,
&end
#
# 103 GLN HE2+ 18 ARG HA 5.50 (# 683:20 Unique 3.33, 5.19 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1710,1711,
&end
#
# 19 GLN HN 18 ARG HA 5.50 (# 684:20 Unique 2.80, 3.15 A)
&rst
ixpk= 684, nxpk= 20, iat= 282, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ARG HN 18 ARG HA 5.50 (# 685:20 Unique 2.27, 2.52 A)
&rst
ixpk= 685, nxpk= 20, iat= 258, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLY HN 18 ARG HA 5.50 (# 686:20 Unique 3.50, 3.98 A)
&rst
ixpk= 686, nxpk= 20, iat= 299, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ARG HG- 18 ARG HB+ 3.50 (# 687:20 Unique 2.21, 2.70 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 265, 266,
igr2= 262, 263,
&end
#
# 0 AMB 20-2:688 0 AMB 20-1:688 4.50 (# 688:20 Double Ambig)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 268, 269, 268, 269,
igr2= 262, 263, 262, 263,
&end
#
# 0 AMB 20-2:689 18 ARG HB- 4.50 (# 689:20 Single Ambig)
&rst
ixpk= 689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 268, 269, 268, 269,
igr2= 262, 263,
&end
#
# 0 AMB 20-2:690 0 AMB 20-1:690 5.50 (# 690:20 Double Ambig)
&rst
ixpk= 690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 260,2489,
igr2= 262, 263,2475,2476,
&end
#
# 18 ARG HA 18 ARG HB+ 5.50 (# 691:20 Unique 2.25, 2.59 A)
&rst
ixpk= 691, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 262, 263,
&end
#
# 82 ARG HA 82 ARG HB+ 4.50 (# 692:20 Unique 2.27, 2.47 A)
&rst
ixpk= 692, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:693 0 AMB 20-1:693 5.50 (# 693:20 Double Ambig)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2467,1290,
igr2=2475,2476,1304,1305,1304,1305,
&end
#
# 18 ARG HN 18 ARG HB+ 4.50 (# 694:20 Unique 2.72, 3.57 A)
&rst
ixpk= 694, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 262, 263,
&end
#
# 52 ARG HN 52 ARG HB- 5.50 (# 695:20 Unique 2.15, 2.56 A)
&rst
ixpk= 695, nxpk= 20, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 790, 791,
&end
#
# 0 AMB 20-2:696 0 AMB 20-1:696 5.50 (# 696:20 Double Ambig)
&rst
ixpk= 696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.56, r4=11.06,
igr1=1538,1761,1501,1016,1375,
igr2=1249,1250,1249,1250, 262, 263,1249,1250,1249,1250,
&end
#
# 18 ARG HN 18 ARG HG+ 5.50 (# 699:20 Unique 1.79, 3.11 A)
&rst
ixpk= 699, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 265, 266,
&end
#
# 18 ARG HN 18 ARG HG- 5.50 (# 700:20 Unique 1.79, 3.11 A)
&rst
ixpk= 700, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 265, 266,
&end
#
# 19 GLN HN 18 ARG HG+ 5.50 (# 701:20 Unique 2.83, 4.42 A)
&rst
ixpk= 701, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:702 0 AMB 20-1:702 5.50 (# 702:20 Double Ambig)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 282,2269,
igr2= 265, 266,2318,2319,
&end
#
# 18 ARG HA 18 ARG HG+ 4.50 (# 703:20 Unique 2.64, 3.38 A)
&rst
ixpk= 703, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 265, 266,
&end
#
# 18 ARG HA 18 ARG HG- 4.50 (# 704:20 Unique 2.64, 3.38 A)
&rst
ixpk= 704, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:705 0 AMB 20-1:705 2.80 (# 705:20 Double Ambig)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2418,2419,2418,2419, 268, 269, 268, 269,
igr2=2415,2416, 265, 266, 265, 266,
&end
#
# 0 AMB 20-2:706 18 ARG HG- 2.80 (# 706:20 Single Ambig)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 268, 269, 268, 269,
igr2= 265, 266,
&end
#
# 18 ARG HB+ 18 ARG HG- 2.80 (# 707:20 Unique 2.21, 2.70 A)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 262, 263,
igr2= 265, 266,
&end
#
# 18 ARG HB+ 18 ARG HG+ 2.80 (# 708:20 Unique 2.21, 2.70 A)
&rst
ixpk= 708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 262, 263,
igr2= 265, 266,
&end
#
# 18 ARG HN 0 AMB 20-1:709 5.50 (# 709:20 Single Ambig)
&rst
ixpk= 709, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 268, 269, 268, 269,
&end
#
# 0 AMB 20-2:710 0 AMB 20-1:710 4.50 (# 710:20 Double Ambig)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2634,2635,2634,2635, 294, 295, 294, 295,
igr2= 268, 269, 268, 269, 268, 269,
&end
#
# 0 AMB 20-2:711 0 AMB 20-1:711 4.50 (# 711:20 Double Ambig)
&rst
ixpk= 711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 446, 454,2209,1710,1711,1710,1711,
igr2=1955,1956,2321,2322, 268, 269, 268, 269,
&end
#
# 0 AMB 20-2:712 0 AMB 20-1:712 5.50 (# 712:20 Double Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1867,1868,1710,1711,2371,2380,
igr2=1955,1956, 268, 269, 268, 269,2321,2322,
&end
#
# 19 GLN HE2- 0 AMB 20-1:713 5.50 (# 713:20 Single Ambig)
&rst
ixpk= 713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 294, 295,
igr2= 268, 269, 268, 269,
&end
#
# 18 ARG HA 0 AMB 20-1:714 5.50 (# 714:20 Single Ambig)
&rst
ixpk= 714, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 268, 269, 268, 269,
&end
#
# 0 AMB 20-2:715 141 ARG HD- 5.50 (# 715:20 Single Ambig)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2313,2273,2274,
igr2=2321,2322,
&end
#
# 0 AMB 20-2:716 0 AMB 20-1:716 3.50 (# 716:20 Double Ambig)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 262, 263, 262, 263,
igr2= 268, 269, 268, 269,
&end
#
# 0 AMB 20-2:717 0 AMB 20-1:717 2.80 (# 717:20 Double Ambig)
&rst
ixpk= 717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2192,2193, 265, 266,
igr2=2321,2322, 268, 269, 268, 269,
&end
#
# 0 AMB 20-2:718 0 AMB 20-1:718 2.80 (# 718:20 Double Ambig)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 262, 263,2315,2316, 265, 266, 265, 266,2318,2319,
igr2= 268, 269, 268, 269,2321,2322, 268, 269,
&end
#
# 0 AMB 20-2:719 0 AMB 20-1:719 2.80 (# 719:20 Double Ambig)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 265, 266, 265, 266,
igr2= 268, 269, 268, 269,
&end
#
# 68 LEU HN 68 LEU HA 5.50 (# 721:20 Unique 2.92, 2.93 A)
&rst
ixpk= 721, nxpk= 20, iat=1059,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLY HN 19 GLN HA 5.50 (# 722:20 Unique 2.93, 3.27 A)
&rst
ixpk= 722, nxpk= 20, iat= 299, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 ALA HN 68 LEU HA 5.50 (# 723:20 Unique 3.37, 3.48 A)
&rst
ixpk= 723, nxpk= 20, iat=1078,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLN HN 19 GLN HA 4.50 (# 724:20 Unique 2.73, 2.90 A)
&rst
ixpk= 724, nxpk= 20, iat= 282, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ARG HA 19 GLN HA 5.50 (# 725:20 Unique 4.38, 4.51 A)
&rst
ixpk= 725, nxpk= 20, iat= 260, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:726 19 GLN HA 3.50 (# 726:20 Single Ambig)
&rst
ixpk= 726, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2626,2627, 286, 287, 289, 290,
&end
#
# 19 GLN HB- 19 GLN HA 4.50 (# 727:20 Unique 2.30, 2.63 A)
&rst
ixpk= 727, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 286, 287,
&end
#
# 0 AMB 20-2:728 0 AMB 20-1:728 5.50 (# 728:20 Double Ambig)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1023,1024, 265, 266,
igr2=1061, 284,
&end
#
# 68 LEU HB+ 68 LEU HA 5.50 (# 729:20 Unique 2.29, 2.81 A)
&rst
ixpk= 729, nxpk= 20, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 68 LEU HB- 68 LEU HA 4.50 (# 730:20 Unique 2.29, 2.81 A)
&rst
ixpk= 730, nxpk= 20, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1063,1064,
&end
#
# 68 LEU MDY 68 LEU HA 3.50 (# 731:20 Unique 1.99, 3.52 A)
&rst
ixpk= 731, nxpk= 20, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1068,1069,1070,1072,1073,1074,
&end
#
# 68 LEU MDX 68 LEU HA 5.50 (# 732:20 Unique 1.99, 3.52 A)
&rst
ixpk= 732, nxpk= 20, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1068,1069,1070,1072,1073,1074,
&end
#
# 0 AMB 20-2:733 0 AMB 20-1:733 5.50 (# 733:20 Double Ambig)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 265, 266, 742, 743, 744,
igr2= 286, 287, 725, 726,
&end
#
# 19 GLN HA 19 GLN HB+ 4.50 (# 737:20 Unique 2.30, 2.63 A)
&rst
ixpk= 737, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 286, 287,
&end
#
# 19 GLN HA 19 GLN HB- 4.50 (# 738:20 Unique 2.30, 2.63 A)
&rst
ixpk= 738, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 286, 287,
&end
#
# 45 SER HA 48 GLN HB- 5.50 (# 739:20 Unique 5.11, 6.26 A)
&rst
ixpk= 739, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 725, 726,
&end
#
# 19 GLN HN 19 GLN HB- 4.50 (# 740:20 Unique 2.51, 3.32 A)
&rst
ixpk= 740, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 286, 287,
&end
#
# 19 GLN HN 19 GLN HB+ 5.50 (# 741:20 Unique 2.51, 3.32 A)
&rst
ixpk= 741, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 286, 287,
&end
#
# 0 AMB 20-2:742 0 AMB 20-1:742 3.50 (# 742:20 Double Ambig)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 286, 287, 262, 263,
igr2= 289, 290, 289, 290,
&end
#
# 19 GLN HB- 0 AMB 20-1:743 3.50 (# 743:20 Single Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 286, 287,
igr2= 289, 290, 313, 314,
&end
#
# 19 GLN HA 19 GLN HG+ 4.50 (# 744:20 Unique 2.54, 3.23 A)
&rst
ixpk= 744, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 289, 290,
&end
#
# 19 GLN HA 19 GLN HG- 4.50 (# 745:20 Unique 2.54, 3.23 A)
&rst
ixpk= 745, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 289, 290,
&end
#
# 20 GLY HN 19 GLN HG+ 5.50 (# 746:20 Unique 2.57, 4.61 A)
&rst
ixpk= 746, nxpk= 20, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 289, 290,
&end
#
# 0 AMB 20-2:747 0 AMB 20-1:747 5.50 (# 747:20 Double Ambig)
&rst
ixpk= 747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 299,2078,
igr2= 289, 290, 313, 314, 313, 314,
&end
#
# 18 ARG HN 19 GLN HG+ 5.50 (# 748:20 Unique 2.87, 5.22 A)
&rst
ixpk= 748, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 289, 290,
&end
#
# 18 ARG HN 19 GLN HG- 5.50 (# 749:20 Unique 2.87, 5.22 A)
&rst
ixpk= 749, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 289, 290,
&end
#
# 19 GLN HN 19 GLN HG+ 5.50 (# 750:20 Unique 1.79, 3.33 A)
&rst
ixpk= 750, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 289, 290,
&end
#
# 19 GLN HN 19 GLN HG- 4.50 (# 751:20 Unique 1.79, 3.33 A)
&rst
ixpk= 751, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 289, 290,
&end
#
# 19 GLN HE2+ 19 GLN HG+ 5.50 (# 752:20 Unique 2.12, 3.29 A)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 294, 295,
igr2= 289, 290,
&end
#
# 19 GLN HE2+ 19 GLN HG- 5.50 (# 753:20 Unique 2.12, 3.29 A)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 294, 295,
igr2= 289, 290,
&end
#
# 159 GLN HE2- 19 GLN HG+ 5.50 (# 754:20 Unique 5.12, 6.58 A)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2634,2635,
igr2= 289, 290,
&end
#
# 159 GLN HE2- 0 AMB 20-1:755 5.50 (# 755:20 Single Ambig)
&rst
ixpk= 755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2634,2635,
igr2= 313, 314, 289, 290,
&end
#
# 20 GLY HN 20 GLY HA- 4.50 (# 756:20 Unique 2.30, 2.67 A)
&rst
ixpk= 756, nxpk= 20, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 301, 302,
&end
#
# 21 GLN HN 20 GLY HA- 5.50 (# 757:20 Unique 2.70, 3.20 A)
&rst
ixpk= 757, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 301, 302,
&end
#
# 19 GLN HA 20 GLY HA- 5.50 (# 758:20 Unique 4.39, 4.76 A)
&rst
ixpk= 758, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 301, 302,
&end
#
# 20 GLY HN 20 GLY HA+ 4.50 (# 759:20 Unique 2.30, 2.67 A)
&rst
ixpk= 759, nxpk= 20, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 301, 302,
&end
#
# 21 GLN HN 20 GLY HA+ 5.50 (# 760:20 Unique 2.70, 3.20 A)
&rst
ixpk= 760, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 301, 302,
&end
#
# 0 AMB 20-2:762 0 AMB 20-1:762 5.50 (# 762:20 Double Ambig)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1= 286, 287,2607,2608, 262, 263,1722,
igr2= 301, 302, 301, 302, 301, 302, 301, 302,
&end
#
# 0 AMB 20-2:763 20 GLY HA- 5.50 (# 763:20 Single Ambig)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 286, 287,2607,2608, 262, 263,
igr2= 301, 302,
&end
#
# 0 AMB 20-2:764 0 AMB 20-1:764 5.50 (# 764:20 Double Ambig)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 289, 290, 313, 314,
igr2= 301, 302, 301, 302,
&end
#
# 0 AMB 20-2:765 20 GLY HA- 5.50 (# 765:20 Single Ambig)
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 289, 290, 313, 314,2626,2627,
igr2= 301, 302,
&end
#
# 155 VAL MGX 20 GLY HA+ 4.50 (# 766:20 Unique 1.98, 5.26 A)
&rst
ixpk= 766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2565,2566,2567,2569,2570,2571,
igr2= 301, 302,
&end
#
# 155 VAL MGX 20 GLY HA- 5.50 (# 767:20 Unique 1.98, 5.26 A)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2565,2566,2567,2569,2570,2571,
igr2= 301, 302,
&end
#
# 21 GLN HN 21 GLN HB- 5.50 (# 768:20 Unique 2.42, 3.47 A)
&rst
ixpk= 768, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:770 21 GLN HB- 5.50 (# 770:20 Single Ambig)
&rst
ixpk= 770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2042,2043,2042,2043,
igr2= 310, 311,
&end
#
# 21 GLN HN 21 GLN HB+ 5.50 (# 771:20 Unique 2.42, 3.47 A)
&rst
ixpk= 771, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:772 0 AMB 20-1:772 5.50 (# 772:20 Double Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 318, 319,2397,
igr2= 310, 311,2173,
&end
#
# 22 VAL HN 21 GLN HB+ 5.50 (# 773:20 Unique 1.81, 2.76 A)
&rst
ixpk= 773, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:775 0 AMB 20-1:775 5.50 (# 775:20 Double Ambig)
&rst
ixpk= 775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2042,2043,2042,2043,
igr2= 310, 311, 310, 311,
&end
#
# 22 VAL HN 21 GLN HG+ 5.50 (# 776:20 Unique 3.58, 4.47 A)
&rst
ixpk= 776, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 313, 314,
&end
#
# 22 VAL HN 21 GLN HG- 5.50 (# 777:20 Unique 3.58, 4.47 A)
&rst
ixpk= 777, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 313, 314,
&end
#
# 21 GLN HN 21 GLN HG- 5.50 (# 778:20 Unique 1.97, 3.71 A)
&rst
ixpk= 778, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 313, 314,
&end
#
# 21 GLN HN 0 AMB 20-1:779 5.50 (# 779:20 Single Ambig)
&rst
ixpk= 779, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 313, 314, 289, 290,
&end
#
# 21 GLN HE2+ 21 GLN HG- 5.50 (# 780:20 Unique 2.12, 3.19 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 318, 319,
igr2= 313, 314,
&end
#
# 0 AMB 20-2:781 0 AMB 20-1:781 5.50 (# 781:20 Double Ambig)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 318, 319, 294, 295, 318, 319,
igr2= 289, 290, 313, 314,
&end
#
# 21 GLN HE2- 21 GLN HG- 5.50 (# 782:20 Unique 2.12, 3.19 A)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 318, 319,
igr2= 313, 314,
&end
#
# 21 GLN HE2- 0 AMB 20-1:783 5.50 (# 783:20 Single Ambig)
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 318, 319,
igr2= 289, 290, 313, 314,
&end
#
# 14 VAL MGY 22 VAL HA 5.50 (# 786:20 Unique 3.17, 5.76 A)
&rst
ixpk= 786, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 22 VAL MGY 22 VAL HA 4.50 (# 787:20 Unique 2.01, 3.36 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HB 22 VAL HA 5.50 (# 788:20 Unique 2.38, 2.63 A)
&rst
ixpk= 788, nxpk= 20, iat= 327, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:789 22 VAL HA 5.50 (# 789:20 Single Ambig)
&rst
ixpk= 789, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 237, 238, 360, 361,
&end
#
# 16 CYS HA 22 VAL HA 5.50 (# 790:20 Unique 2.69, 3.41 A)
&rst
ixpk= 790, nxpk= 20, iat= 235, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HN 22 VAL HA 5.50 (# 793:20 Unique 4.12, 4.82 A)
&rst
ixpk= 793, nxpk= 20, iat= 244, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HN 22 VAL HA 5.50 (# 794:20 Unique 2.15, 2.21 A)
&rst
ixpk= 794, nxpk= 20, iat= 339, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL MGY 22 VAL HB 5.50 (# 795:20 Unique 2.55, 5.88 A)
&rst
ixpk= 795, nxpk= 20, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 22 VAL MGY 22 VAL HB 5.50 (# 796:20 Unique 2.22, 2.63 A)
&rst
ixpk= 796, nxpk= 20, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 71 THR MG2 150 GLU HG+ 5.50 (# 797:20 Unique 2.56, 5.75 A)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1105,1106,1107,
igr2=2494,2495,
&end
#
# 0 AMB 20-2:798 22 VAL HB 5.50 (# 798:20 Single Ambig)
&rst
ixpk= 798, nxpk= 20, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2459,2460,2461,2162,2163,
&end
#
# 22 VAL MGX 22 VAL HB 4.50 (# 799:20 Unique 2.22, 2.63 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HA 22 VAL HB 5.50 (# 800:20 Unique 2.38, 2.63 A)
&rst
ixpk= 800, nxpk= 20, iat= 325, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HN 22 VAL HB 5.50 (# 801:20 Unique 2.36, 3.42 A)
&rst
ixpk= 801, nxpk= 20, iat= 339, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:802 22 VAL MGX 5.50 (# 802:20 Single Ambig)
&rst
ixpk= 802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2159,2160, 204, 205, 206, 208, 209, 210,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 14 VAL MGY 22 VAL MGX 5.50 (# 803:20 Unique 2.08, 6.17 A)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 204, 205, 206, 208, 209, 210,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 127 VAL MGX 22 VAL MGX 4.50 (# 804:20 Unique 1.99, 6.61 A)
&rst
ixpk= 804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2068,2069,2070,2072,2073,2074,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 148 MET ME 22 VAL MGX 5.50 (# 805:20 Unique 1.98, 3.99 A)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2459,2460,2461,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 132 PRO HG+ 22 VAL MGX 5.50 (# 806:20 Unique 1.97, 4.15 A)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2159,2160,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:807 22 VAL MGX 5.50 (# 807:20 Single Ambig)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 327, 310, 311,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 129 TYR HA 22 VAL MGX 5.50 (# 808:20 Unique 2.00, 4.72 A)
&rst
ixpk= 808, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 152 ALA HA 22 VAL MGX 5.50 (# 809:20 Unique 5.31, 8.57 A)
&rst
ixpk= 809, nxpk= 20, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HA 22 VAL MGX 5.50 (# 810:20 Unique 2.01, 3.36 A)
&rst
ixpk= 810, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:811 22 VAL MGX 5.50 (# 811:20 Single Ambig)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 369,1710,1711,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HN 22 VAL MGX 5.50 (# 812:20 Unique 1.93, 3.62 A)
&rst
ixpk= 812, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 127 VAL HN 22 VAL MGX 5.50 (# 813:20 Unique 2.84, 5.86 A)
&rst
ixpk= 813, nxpk= 20, iat=2062, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HN 22 VAL MGY 5.50 (# 814:20 Unique 1.93, 3.62 A)
&rst
ixpk= 814, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 129 TYR HN 22 VAL MGY 5.50 (# 815:20 Unique 4.08, 7.03 A)
&rst
ixpk= 815, nxpk= 20, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:816 22 VAL MGY 5.50 (# 816:20 Single Ambig)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 244,2502,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 16 CYS HA 22 VAL MGY 5.50 (# 817:20 Unique 3.92, 6.31 A)
&rst
ixpk= 817, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HA 22 VAL MGY 5.50 (# 818:20 Unique 2.01, 3.36 A)
&rst
ixpk= 818, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:819 22 VAL MGY 4.50 (# 819:20 Single Ambig)
&rst
ixpk= 819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2097,2106,2099,2104,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 129 TYR HA 22 VAL MGY 5.50 (# 820:20 Unique 2.00, 4.72 A)
&rst
ixpk= 820, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:821 0 AMB 20-1:821 5.50 (# 821:20 Double Ambig)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1281,1282, 360, 361,
igr2=1349,1350,1351,1353,1354,1355, 329, 330, 331, 333,
334, 335,
&end
#
# 0 AMB 20-2:822 0 AMB 20-1:822 5.50 (# 822:20 Double Ambig)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 237, 238,1505,1506, 555, 556,
igr2= 329, 330, 331, 333, 334, 335,1349,1350,1351,1353,
1354,1355,
&end
#
# 0 AMB 20-2:823 22 VAL MGY 4.50 (# 823:20 Single Ambig)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 327, 310, 311,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 14 VAL MGY 22 VAL MGY 4.50 (# 824:20 Unique 2.08, 6.17 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 204, 205, 206, 208, 209, 210,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 24 TRP HN 23 MET HA 5.50 (# 825:20 Unique 2.14, 2.16 A)
&rst
ixpk= 825, nxpk= 20, iat= 356, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:826 23 MET HA 3.50 (# 826:20 Single Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 343, 344, 343, 344,
&end
#
# 127 VAL HN 23 MET HA 5.50 (# 827:20 Unique 4.47, 5.06 A)
&rst
ixpk= 827, nxpk= 20, iat=2062, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HN 23 MET HA 5.50 (# 828:20 Unique 2.72, 2.78 A)
&rst
ixpk= 828, nxpk= 20, iat= 339, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 TRP HB- 23 MET HA 5.50 (# 830:20 Unique 4.14, 4.73 A)
&rst
ixpk= 830, nxpk= 20, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 360, 361,
&end
#
# 23 MET HN 0 AMB 20-1:831 5.50 (# 831:20 Single Ambig)
&rst
ixpk= 831, nxpk= 20, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 343, 344, 343, 344,
&end
#
# 22 VAL MGX 0 AMB 20-1:832 5.50 (# 832:20 Single Ambig)
&rst
ixpk= 832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 329, 330, 331, 333, 334, 335,
igr2=2455,2456, 343, 344, 343, 344,
&end
#
# 24 TRP HN 23 MET ME 5.50 (# 833:20 Unique 3.23, 5.29 A)
&rst
ixpk= 833, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:834 23 MET ME 5.50 (# 834:20 Single Ambig)
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 339,1838,
igr2= 350, 351, 352,
&end
#
# 58 VAL HN 23 MET ME 5.50 (# 836:20 Unique 3.60, 5.15 A)
&rst
ixpk= 836, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 350, 351, 352,
&end
#
# 126 TRP HH2 23 MET ME 5.50 (# 837:20 Unique 2.37, 5.10 A)
&rst
ixpk= 837, nxpk= 20, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 350, 351, 352,
&end
#
# 23 MET HA 23 MET ME 5.50 (# 839:20 Unique 3.18, 4.76 A)
&rst
ixpk= 839, nxpk= 20, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 350, 351, 352,
&end
#
# 58 VAL HB 23 MET ME 5.50 (# 840:20 Unique 1.98, 4.60 A)
&rst
ixpk= 840, nxpk= 20, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:841 23 MET ME 5.50 (# 841:20 Single Ambig)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 343, 344, 343, 344,
igr2= 350, 351, 352,
&end
#
# 113 MET HG- 23 MET ME 5.50 (# 843:20 Unique 3.10, 5.79 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1845,1846,
igr2= 350, 351, 352,
&end
#
# 113 MET ME 23 MET ME 4.50 (# 844:20 Unique 1.97, 4.54 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1849,1850,1851,
igr2= 350, 351, 352,
&end
#
# 15 ILE HG1- 23 MET ME 4.50 (# 845:20 Unique 1.95, 4.96 A)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 224, 225,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:846 23 MET ME 4.50 (# 846:20 Single Ambig)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 220, 221, 222,1724,1725,1726,1728,1729,1730,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:847 23 MET ME 2.80 (# 847:20 Single Ambig)
&rst
ixpk= 847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:848 23 MET ME 4.50 (# 848:20 Single Ambig)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2= 350, 351, 352,
&end
#
# 25 ALA MB 23 MET ME 4.50 (# 849:20 Unique 1.98, 4.71 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 384, 385, 386,
igr2= 350, 351, 352,
&end
#
# 111 ILE QG2 23 MET ME 4.50 (# 850:20 Unique 3.36, 6.62 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1811,1812,1813,
igr2= 350, 351, 352,
&end
#
# 111 ILE QD1 23 MET ME 3.50 (# 851:20 Unique 3.48, 6.14 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1818,1819,1820,
igr2= 350, 351, 352,
&end
#
# 24 TRP HB- 24 TRP HA 5.50 (# 852:20 Unique 2.66, 2.84 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 360, 361,
&end
#
# 24 TRP HB+ 24 TRP HA 5.50 (# 853:20 Unique 2.66, 2.84 A)
&rst
ixpk= 853, nxpk= 20, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 360, 361,
&end
#
# 25 ALA HN 24 TRP HA 5.50 (# 855:20 Unique 2.14, 2.15 A)
&rst
ixpk= 855, nxpk= 20, iat= 380, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 TRP HN 24 TRP HA 5.50 (# 856:20 Unique 2.93, 2.94 A)
&rst
ixpk= 856, nxpk= 20, iat= 356, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 TRP HN 24 TRP HB+ 5.50 (# 857:20 Unique 2.33, 2.82 A)
&rst
ixpk= 857, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 360, 361,
&end
#
# 24 TRP HN 24 TRP HB- 5.50 (# 858:20 Unique 2.33, 2.82 A)
&rst
ixpk= 858, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 360, 361,
&end
#
# 24 TRP HD1 24 TRP HB+ 5.50 (# 859:20 Unique 2.55, 3.02 A)
&rst
ixpk= 859, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 360, 361,
&end
#
# 24 TRP HD1 24 TRP HB- 5.50 (# 860:20 Unique 2.55, 3.02 A)
&rst
ixpk= 860, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 360, 361,
&end
#
# 24 TRP HA 24 TRP HB- 5.50 (# 861:20 Unique 2.66, 2.84 A)
&rst
ixpk= 861, nxpk= 20, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 360, 361,
&end
#
# 24 TRP HA 24 TRP HB+ 5.50 (# 862:20 Unique 2.66, 2.84 A)
&rst
ixpk= 862, nxpk= 20, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 360, 361,
&end
#
# 127 VAL MGX 24 TRP HB+ 5.50 (# 864:20 Unique 1.98, 4.43 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2= 360, 361,
&end
#
# 127 VAL MGY 24 TRP HB+ 5.50 (# 865:20 Unique 1.98, 4.43 A)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2= 360, 361,
&end
#
# 127 VAL MGY 24 TRP HB- 5.50 (# 866:20 Unique 1.98, 4.43 A)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2= 360, 361,
&end
#
# 127 VAL MGX 24 TRP HB- 5.50 (# 867:20 Unique 1.98, 4.43 A)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2= 360, 361,
&end
#
# 25 ALA MB 25 ALA HA 5.50 (# 868:20 Unique 2.25, 2.63 A)
&rst
ixpk= 868, nxpk= 20, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 384, 385, 386,
&end
#
# 40 ILE QG2 41 ASN HA 5.50 (# 869:20 Unique 3.95, 4.98 A)
&rst
ixpk= 869, nxpk= 20, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 622, 623, 624,
&end
#
# 113 MET ME 25 ALA HA 5.50 (# 870:20 Unique 2.69, 4.49 A)
&rst
ixpk= 870, nxpk= 20, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1849,1850,1851,
&end
#
# 0 AMB 20-2:871 41 ASN HA 5.50 (# 871:20 Single Ambig)
&rst
ixpk= 871, nxpk= 20, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 653, 654, 15, 16, 17,
&end
#
# 0 AMB 20-2:872 41 ASN HA 5.50 (# 872:20 Single Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 674, 675, 674, 675, 653, 654, 677, 678, 8, 9,
8, 9,
&end
#
# 41 ASN HB- 41 ASN HA 5.50 (# 873:20 Unique 2.41, 2.84 A)
&rst
ixpk= 873, nxpk= 20, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 639, 640,
&end
#
# 41 ASN HB+ 41 ASN HA 5.50 (# 874:20 Unique 2.41, 2.84 A)
&rst
ixpk= 874, nxpk= 20, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 639, 640,
&end
#
# 0 AMB 20-2:875 0 AMB 20-1:875 5.50 (# 875:20 Double Ambig)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 360, 361, 796, 797,
igr2= 382, 637,
&end
#
# 42 PRO HD- 41 ASN HA 5.50 (# 876:20 Unique 2.23, 2.41 A)
&rst
ixpk= 876, nxpk= 20, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 650, 651,
&end
#
# 42 PRO HD+ 41 ASN HA 4.50 (# 877:20 Unique 2.23, 2.41 A)
&rst
ixpk= 877, nxpk= 20, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 650, 651,
&end
#
# 124 TRP HA 25 ALA HA 5.50 (# 878:20 Unique 4.60, 4.97 A)
&rst
ixpk= 878, nxpk= 20, iat=1992, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ASN HD2- 41 ASN HA 5.50 (# 879:20 Unique 1.95, 3.67 A)
&rst
ixpk= 879, nxpk= 20, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 644, 645,
&end
#
# 33 TRP HH2 25 ALA HA 5.50 (# 880:20 Unique 3.77, 4.35 A)
&rst
ixpk= 880, nxpk= 20, iat= 525, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:881 25 ALA HA 5.50 (# 881:20 Single Ambig)
&rst
ixpk= 881, nxpk= 20, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 390, 380,
&end
#
# 124 TRP HN 25 ALA HA 5.50 (# 882:20 Unique 2.76, 3.18 A)
&rst
ixpk= 882, nxpk= 20, iat=1990, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ASN HN 41 ASN HA 5.50 (# 883:20 Unique 2.76, 2.88 A)
&rst
ixpk= 883, nxpk= 20, iat= 635, 637, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:884 25 ALA MB 5.50 (# 884:20 Single Ambig)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
igr2= 384, 385, 386,
&end
#
# 26 ARG HG+ 25 ALA MB 5.50 (# 885:20 Unique 4.81, 7.51 A)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 397, 398,
igr2= 384, 385, 386,
&end
#
# 23 MET ME 25 ALA MB 5.50 (# 886:20 Unique 1.98, 4.71 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 350, 351, 352,
igr2= 384, 385, 386,
&end
#
# 0 AMB 20-2:887 25 ALA MB 3.50 (# 887:20 Single Ambig)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1849,1850,1851,1842,1843,
igr2= 384, 385, 386,
&end
#
# 0 AMB 20-2:888 25 ALA MB 5.50 (# 888:20 Single Ambig)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1994,1995,1975,1976,
igr2= 384, 385, 386,
&end
#
# 121 PHE HB- 25 ALA MB 5.50 (# 889:20 Unique 1.98, 3.31 A)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1955,1956,
igr2= 384, 385, 386,
&end
#
# 121 PHE HB+ 25 ALA MB 5.50 (# 890:20 Unique 1.98, 3.31 A)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1955,1956,
igr2= 384, 385, 386,
&end
#
# 25 ALA HA 25 ALA MB 4.50 (# 891:20 Unique 2.25, 2.63 A)
&rst
ixpk= 891, nxpk= 20, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 384, 385, 386,
&end
#
# 24 TRP HA 25 ALA MB 5.50 (# 892:20 Unique 4.32, 4.98 A)
&rst
ixpk= 892, nxpk= 20, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 384, 385, 386,
&end
#
# 124 TRP HA 25 ALA MB 5.50 (# 893:20 Unique 4.79, 6.15 A)
&rst
ixpk= 893, nxpk= 20, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 384, 385, 386,
&end
#
# 0 AMB 20-2:895 25 ALA MB 4.50 (# 895:20 Single Ambig)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2053, 446, 454,
igr2= 384, 385, 386,
&end
#
# 123 GLY HN 25 ALA MB 5.50 (# 896:20 Unique 1.92, 3.54 A)
&rst
ixpk= 896, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 384, 385, 386,
&end
#
# 0 AMB 20-2:897 25 ALA MB 3.50 (# 897:20 Single Ambig)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 380, 390,
igr2= 384, 385, 386,
&end
#
# 122 ASP HN 25 ALA MB 5.50 (# 898:20 Unique 2.85, 4.93 A)
&rst
ixpk= 898, nxpk= 20, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 384, 385, 386,
&end
#
# 125 ARG HN 25 ALA MB 5.50 (# 899:20 Unique 3.86, 6.04 A)
&rst
ixpk= 899, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 384, 385, 386,
&end
#
# 27 ARG HN 26 ARG HA 5.50 (# 901:20 Unique 2.14, 2.20 A)
&rst
ixpk= 901, nxpk= 20, iat= 414, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG HN 26 ARG HA 5.50 (# 902:20 Unique 2.81, 2.85 A)
&rst
ixpk= 902, nxpk= 20, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HA 26 ARG HA 5.50 (# 903:20 Unique 1.95, 2.67 A)
&rst
ixpk= 903, nxpk= 20, iat= 512, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG HG+ 26 ARG HA 5.50 (# 906:20 Unique 2.19, 3.17 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 26 ARG HG- 26 ARG HA 5.50 (# 908:20 Unique 2.19, 3.17 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 26 ARG HG- 0 AMB 20-1:910 5.50 (# 910:20 Single Ambig)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 397, 398,
igr2= 394, 395, 394, 395,
&end
#
# 26 ARG HA 0 AMB 20-1:912 5.50 (# 912:20 Single Ambig)
&rst
ixpk= 912, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 394, 395, 394, 395,
&end
#
# 123 GLY HN 0 AMB 20-1:913 5.50 (# 913:20 Single Ambig)
&rst
ixpk= 913, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 394, 395, 394, 395,
&end
#
# 26 ARG HE 0 AMB 20-1:915 5.50 (# 915:20 Single Ambig)
&rst
ixpk= 915, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 394, 395, 394, 395,
&end
#
# 27 ARG HN 0 AMB 20-1:916 5.50 (# 916:20 Single Ambig)
&rst
ixpk= 916, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 394, 395, 394, 395,
&end
#
# 27 ARG HN 26 ARG HG+ 5.50 (# 917:20 Unique 2.21, 3.27 A)
&rst
ixpk= 917, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 397, 398,
&end
#
# 26 ARG HE 26 ARG HG+ 5.50 (# 918:20 Unique 2.15, 3.09 A)
&rst
ixpk= 918, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 397, 398,
&end
#
# 0 AMB 20-2:920 0 AMB 20-1:920 5.50 (# 920:20 Double Ambig)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 482,2258,
igr2= 400, 401, 400, 401,2321,2322,
&end
#
# 0 AMB 20-2:922 0 AMB 20-1:922 5.50 (# 922:20 Double Ambig)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2337,1736,
igr2=2321,2322, 268, 269, 268, 269,
&end
#
# 134 ARG HA 0 AMB 20-1:923 5.50 (# 923:20 Single Ambig)
&rst
ixpk= 923, nxpk= 20, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2195,2196,2195,2196,2321,2322,
&end
#
# 0 AMB 20-2:924 0 AMB 20-1:924 5.50 (# 924:20 Double Ambig)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2260,1985,1986,
igr2=2321,2322, 400, 401, 400, 401,
&end
#
# 0 AMB 20-2:925 0 AMB 20-1:925 3.50 (# 925:20 Double Ambig)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1068,1069,1070,1072,1073,1074,1740,1741,1742,1744,
1745,1746,
igr2=1026,1027,1026,1027,1026,1027,
&end
#
# 0 AMB 20-2:926 0 AMB 20-1:926 4.50 (# 926:20 Double Ambig)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1053,1054,1055,1740,1741,1742,1744,1745,1746,
igr2=1026,1027,1026,1027,1026,1027, 268, 269, 268, 269,
&end
#
# 26 ARG HG- 0 AMB 20-1:927 5.50 (# 927:20 Single Ambig)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 397, 398,
igr2= 400, 401, 400, 401,
&end
#
# 0 AMB 20-2:928 0 AMB 20-1:928 3.50 (# 928:20 Double Ambig)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2315,2316,2189,2190,2189,2190,
igr2=2321,2322,2195,2196,2195,2196,
&end
#
# 0 AMB 20-2:929 27 ARG HA 5.50 (# 929:20 Single Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 418, 419,1940,1941,
&end
#
# 27 ARG HD- 27 ARG HA 5.50 (# 930:20 Unique 2.08, 3.20 A)
&rst
ixpk= 930, nxpk= 20, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 424, 425,
&end
#
# 27 ARG HD+ 27 ARG HA 5.50 (# 931:20 Unique 2.08, 3.20 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 424, 425,
&end
#
# 121 PHE HA 27 ARG HA 5.50 (# 932:20 Unique 1.86, 2.16 A)
&rst
ixpk= 932, nxpk= 20, iat=1953, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HN 27 ARG HA 5.50 (# 934:20 Unique 2.74, 2.81 A)
&rst
ixpk= 934, nxpk= 20, iat= 414, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HN 27 ARG HB- 5.50 (# 935:20 Unique 2.07, 2.62 A)
&rst
ixpk= 935, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 418, 419,
&end
#
# 27 ARG HN 27 ARG HB+ 5.50 (# 936:20 Unique 2.07, 2.62 A)
&rst
ixpk= 936, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 418, 419,
&end
#
# 31 HIS HN 27 ARG HB- 5.50 (# 937:20 Unique 1.92, 3.97 A)
&rst
ixpk= 937, nxpk= 20, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 418, 419,
&end
#
# 30 GLN HN 27 ARG HB- 5.50 (# 938:20 Unique 1.92, 3.91 A)
&rst
ixpk= 938, nxpk= 20, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 418, 419,
&end
#
# 0 AMB 20-2:939 0 AMB 20-1:939 5.50 (# 939:20 Double Ambig)
&rst
ixpk= 939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1226,1235, 446, 454,
igr2=2299,2300, 418, 419,
&end
#
# 28 PHE HD 0 AMB 20-1:940 5.50 (# 940:20 Single Ambig)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 446, 454,
igr2= 418, 419,1940,1941,
&end
#
# 27 ARG HA 27 ARG HB- 5.50 (# 941:20 Unique 2.27, 2.80 A)
&rst
ixpk= 941, nxpk= 20, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 418, 419,
&end
#
# 27 ARG HA 27 ARG HB+ 5.50 (# 942:20 Unique 2.27, 2.80 A)
&rst
ixpk= 942, nxpk= 20, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 418, 419,
&end
#
# 0 AMB 20-2:943 27 ARG HB- 5.50 (# 943:20 Single Ambig)
&rst
ixpk= 943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 503, 504, 503, 504, 460, 461,
igr2= 418, 419,
&end
#
# 0 AMB 20-2:944 0 AMB 20-1:944 5.50 (# 944:20 Double Ambig)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=2260, 503, 504, 460, 461,
igr2=2315,2316, 418, 419, 418, 419,
&end
#
# 27 ARG HD+ 27 ARG HB- 5.50 (# 945:20 Unique 1.96, 3.26 A)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 424, 425,
igr2= 418, 419,
&end
#
# 0 AMB 20-2:947 0 AMB 20-1:947 4.50 (# 947:20 Double Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 424, 425, 424, 425,
igr2= 418, 419,1940,1941,
&end
#
# 0 AMB 20-2:948 0 AMB 20-1:948 5.50 (# 948:20 Double Ambig)
&rst
ixpk= 948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 472, 473, 472, 473,
igr2= 418, 419, 418, 419,
&end
#
# 95 GLN HG- 140 LYS HD+ 5.50 (# 949:20 Unique 4.31, 7.22 A)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,
igr2=2299,2300,
&end
#
# 27 ARG HN 27 ARG HG- 5.50 (# 950:20 Unique 3.37, 4.26 A)
&rst
ixpk= 950, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 421, 422,
&end
#
# 27 ARG HN 27 ARG HG+ 5.50 (# 951:20 Unique 3.37, 4.26 A)
&rst
ixpk= 951, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 421, 422,
&end
#
# 28 PHE HD 27 ARG HG- 5.50 (# 952:20 Unique 2.74, 6.42 A)
&rst
ixpk= 952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 446, 454,
igr2= 421, 422,
&end
#
# 27 ARG HA 27 ARG HG- 5.50 (# 954:20 Unique 2.04, 3.01 A)
&rst
ixpk= 954, nxpk= 20, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 421, 422,
&end
#
# 27 ARG HD+ 27 ARG HG- 5.50 (# 955:20 Unique 2.22, 2.69 A)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 424, 425,
igr2= 421, 422,
&end
#
# 27 ARG HG- 27 ARG HD+ 5.50 (# 958:20 Unique 2.22, 2.69 A)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 421, 422,
igr2= 424, 425,
&end
#
# 27 ARG HA 27 ARG HD+ 5.50 (# 961:20 Unique 2.08, 3.20 A)
&rst
ixpk= 961, nxpk= 20, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 424, 425,
&end
#
# 28 PHE HD 27 ARG HD+ 5.50 (# 963:20 Unique 2.77, 6.00 A)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 446, 454,
igr2= 424, 425,
&end
#
# 27 ARG HN 27 ARG HD- 5.50 (# 966:20 Unique 2.84, 4.77 A)
&rst
ixpk= 966, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 424, 425,
&end
#
# 28 PHE HB- 28 PHE HA 5.50 (# 967:20 Unique 2.24, 2.55 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 443,
&end
#
# 28 PHE HB+ 28 PHE HA 5.50 (# 968:20 Unique 2.24, 2.55 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 443,
&end
#
# 122 ASP HB+ 28 PHE HA 5.50 (# 969:20 Unique 2.26, 3.73 A)
&rst
ixpk= 969, nxpk= 20, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1976,
&end
#
# 0 AMB 20-2:970 0 AMB 20-1:970 5.50 (# 970:20 Double Ambig)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 460, 461,1923,1924,
igr2= 440, 861,
&end
#
# 0 AMB 20-2:971 0 AMB 20-1:971 5.50 (# 971:20 Double Ambig)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 446, 454, 847, 855,
igr2= 440, 861,
&end
#
# 30 GLN HN 28 PHE HA 5.50 (# 973:20 Unique 3.23, 4.21 A)
&rst
ixpk= 973, nxpk= 20, iat= 465, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HN 28 PHE HA 5.50 (# 974:20 Unique 2.27, 2.77 A)
&rst
ixpk= 974, nxpk= 20, iat= 438, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:975 28 PHE HA 4.50 (# 975:20 Single Ambig)
&rst
ixpk= 975, nxpk= 20, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 458, 482,
&end
#
# 28 PHE HA 28 PHE HB+ 5.50 (# 976:20 Unique 2.24, 2.55 A)
&rst
ixpk= 976, nxpk= 20, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 28 PHE HA 28 PHE HB- 5.50 (# 977:20 Unique 2.24, 2.55 A)
&rst
ixpk= 977, nxpk= 20, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 28 PHE HD 28 PHE HB- 5.50 (# 978:20 Unique 2.29, 3.04 A)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 446, 454,
igr2= 442, 443,
&end
#
# 28 PHE HD 28 PHE HB+ 5.50 (# 979:20 Unique 2.29, 3.04 A)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 446, 454,
igr2= 442, 443,
&end
#
# 28 PHE HN 28 PHE HB+ 5.50 (# 980:20 Unique 2.07, 2.96 A)
&rst
ixpk= 980, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 28 PHE HN 28 PHE HB- 5.50 (# 981:20 Unique 2.07, 2.96 A)
&rst
ixpk= 981, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 28 PHE HD 29 GLY HA+ 5.50 (# 982:20 Unique 2.87, 5.27 A)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 446, 454,
igr2= 460, 461,
&end
#
# 30 GLN HN 29 GLY HA+ 5.50 (# 984:20 Unique 2.44, 3.18 A)
&rst
ixpk= 984, nxpk= 20, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 460, 461,
&end
#
# 30 GLN HN 29 GLY HA- 5.50 (# 985:20 Unique 2.44, 3.18 A)
&rst
ixpk= 985, nxpk= 20, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 460, 461,
&end
#
# 29 GLY HN 29 GLY HA- 4.50 (# 986:20 Unique 2.30, 2.66 A)
&rst
ixpk= 986, nxpk= 20, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 460, 461,
&end
#
# 29 GLY HN 29 GLY HA+ 3.50 (# 987:20 Unique 2.30, 2.66 A)
&rst
ixpk= 987, nxpk= 20, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 460, 461,
&end
#
# 0 AMB 20-2:988 30 GLN HA 5.50 (# 988:20 Single Ambig)
&rst
ixpk= 988, nxpk= 20, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 482, 458,
&end
#
# 30 GLN HN 30 GLN HA 5.50 (# 989:20 Unique 2.70, 2.87 A)
&rst
ixpk= 989, nxpk= 20, iat= 465, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 SER HN 30 GLN HA 5.50 (# 990:20 Unique 4.11, 4.72 A)
&rst
ixpk= 990, nxpk= 20, iat= 499, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN HE2+ 30 GLN HA 5.50 (# 991:20 Unique 4.27, 5.44 A)
&rst
ixpk= 991, nxpk= 20, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 0 AMB 20-2:992 30 GLN HA 5.50 (# 992:20 Single Ambig)
&rst
ixpk= 992, nxpk= 20, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 460, 461, 503, 504, 503, 504,
&end
#
# 0 AMB 20-2:993 30 GLN HA 5.50 (# 993:20 Single Ambig)
&rst
ixpk= 993, nxpk= 20, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 486, 487, 460, 461,
&end
#
# 0 AMB 20-2:994 30 GLN HA 3.50 (# 994:20 Single Ambig)
&rst
ixpk= 994, nxpk= 20, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 472, 473, 472, 473,
&end
#
# 30 GLN HB- 30 GLN HA 4.50 (# 995:20 Unique 2.23, 2.72 A)
&rst
ixpk= 995, nxpk= 20, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 469, 470,
&end
#
# 27 ARG HB- 30 GLN HA 5.50 (# 996:20 Unique 3.98, 5.33 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 418, 419,
&end
#
# 0 AMB 20-2:997 0 AMB 20-1:997 5.50 (# 997:20 Double Ambig)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 482, 458,
igr2= 469, 470, 469, 470,
&end
#
# 0 AMB 20-2:998 30 GLN HB- 5.50 (# 998:20 Single Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 482, 458,
igr2= 469, 470,
&end
#
# 30 GLN HN 30 GLN HB+ 5.50 (# 999:20 Unique 2.14, 2.77 A)
&rst
ixpk= 999, nxpk= 20, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 469, 470,
&end
#
# 30 GLN HN 30 GLN HB- 5.50 (# 1000:20 Unique 2.14, 2.77 A)
&rst
ixpk= 1000, nxpk= 20, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 469, 470,
&end
#
# 32 SER HN 30 GLN HB+ 5.50 (# 1001:20 Unique 2.14, 3.82 A)
&rst
ixpk= 1001, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 469, 470,
&end
#
# 32 SER HN 30 GLN HB- 5.50 (# 1002:20 Unique 2.14, 3.82 A)
&rst
ixpk= 1002, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 469, 470,
&end
#
# 30 GLN HA 30 GLN HB- 5.50 (# 1003:20 Unique 2.23, 2.72 A)
&rst
ixpk= 1003, nxpk= 20, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 469, 470,
&end
#
# 30 GLN HA 30 GLN HB+ 4.50 (# 1004:20 Unique 2.23, 2.72 A)
&rst
ixpk= 1004, nxpk= 20, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 469, 470,
&end
#
# 0 AMB 20-2:1007 0 AMB 20-1:1007 5.50 (# 1007:20 Double Ambig)
&rst
ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 482, 458,
igr2= 472, 473, 472, 473,
&end
#
# 30 GLN HN 0 AMB 20-1:1008 4.50 (# 1008:20 Single Ambig)
&rst
ixpk= 1008, nxpk= 20, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 472, 473, 472, 473,
&end
#
# 0 AMB 20-2:1009 0 AMB 20-1:1009 4.50 (# 1009:20 Double Ambig)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 477, 478, 477, 478,
igr2= 472, 473, 472, 473,
&end
#
# 0 AMB 20-2:1010 0 AMB 20-1:1010 5.50 (# 1010:20 Double Ambig)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 889,2279,2283,
igr2= 893,1545,1546,
&end
#
# 77 TYR HD 95 GLN HG- 5.50 (# 1011:20 Unique 3.48, 6.25 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1226,1235,
igr2=1545,1546,
&end
#
# 32 SER HN 0 AMB 20-1:1012 5.50 (# 1012:20 Single Ambig)
&rst
ixpk= 1012, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 472, 473, 472, 473,
&end
#
# 30 GLN HE2- 0 AMB 20-1:1013 5.50 (# 1013:20 Single Ambig)
&rst
ixpk= 1013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 477, 478,
igr2= 472, 473, 472, 473,
&end
#
# 30 GLN HA 0 AMB 20-1:1014 3.50 (# 1014:20 Single Ambig)
&rst
ixpk= 1014, nxpk= 20, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 472, 473, 472, 473,
&end
#
# 0 AMB 20-2:1015 0 AMB 20-1:1015 5.50 (# 1015:20 Double Ambig)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 503, 504, 503, 504,
igr2= 472, 473, 472, 473,
&end
#
# 0 AMB 20-2:1016 0 AMB 20-1:1016 3.50 (# 1016:20 Double Ambig)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 418, 419, 418, 419, 469, 470,
igr2= 472, 473, 472, 473, 472, 473,
&end
#
# 27 ARG HG- 0 AMB 20-1:1018 5.50 (# 1018:20 Single Ambig)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 421, 422,
igr2= 472, 473, 472, 473,
&end
#
# 0 AMB 20-2:1019 58 VAL HB 2.80 (# 1019:20 Single Ambig)
&rst
ixpk= 1019, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 0 AMB 20-2:1020 58 VAL HB 5.50 (# 1020:20 Single Ambig)
&rst
ixpk= 1020, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 111 ILE QG2 58 VAL HB 5.50 (# 1022:20 Unique 2.06, 4.70 A)
&rst
ixpk= 1022, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1811,1812,1813,
&end
#
# 26 ARG HG- 31 HIS HA 5.50 (# 1023:20 Unique 1.99, 2.96 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 31 HIS HB- 31 HIS HA 5.50 (# 1024:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 486, 487,
&end
#
# 31 HIS HB+ 31 HIS HA 5.50 (# 1025:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 486, 487,
&end
#
# 32 SER HN 31 HIS HA 5.50 (# 1026:20 Unique 2.47, 2.83 A)
&rst
ixpk= 1026, nxpk= 20, iat= 499, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 HIS HD2 31 HIS HA 5.50 (# 1027:20 Unique 2.40, 2.82 A)
&rst
ixpk= 1027, nxpk= 20, iat= 495, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 HIS HN 31 HIS HA 5.50 (# 1028:20 Unique 2.27, 2.28 A)
&rst
ixpk= 1028, nxpk= 20, iat= 482, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 HIS HN 31 HIS HB+ 5.50 (# 1029:20 Unique 3.22, 3.79 A)
&rst
ixpk= 1029, nxpk= 20, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 486, 487,
&end
#
# 31 HIS HN 31 HIS HB- 5.50 (# 1030:20 Unique 3.22, 3.79 A)
&rst
ixpk= 1030, nxpk= 20, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 486, 487,
&end
#
# 31 HIS HD2 31 HIS HB- 5.50 (# 1032:20 Unique 2.98, 3.61 A)
&rst
ixpk= 1032, nxpk= 20, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 486, 487,
&end
#
# 32 SER HN 31 HIS HB+ 5.50 (# 1033:20 Unique 3.88, 4.29 A)
&rst
ixpk= 1033, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 486, 487,
&end
#
# 32 SER HN 31 HIS HB- 5.50 (# 1034:20 Unique 3.88, 4.29 A)
&rst
ixpk= 1034, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 486, 487,
&end
#
# 31 HIS HA 31 HIS HB+ 5.50 (# 1035:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1035, nxpk= 20, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 486, 487,
&end
#
# 31 HIS HA 31 HIS HB- 5.50 (# 1036:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1036, nxpk= 20, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 486, 487,
&end
#
# 33 TRP HN 0 AMB 20-1:1039 4.50 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 503, 504, 503, 504,
&end
#
# 27 ARG HN 0 AMB 20-1:1040 5.50 (# 1040:20 Single Ambig)
&rst
ixpk= 1040, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 503, 504, 503, 504,
&end
#
# 32 SER HN 0 AMB 20-1:1041 5.50 (# 1041:20 Single Ambig)
&rst
ixpk= 1041, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 503, 504, 503, 504,
&end
#
# 32 SER HA 0 AMB 20-1:1042 4.50 (# 1042:20 Single Ambig)
&rst
ixpk= 1042, nxpk= 20, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 503, 504, 503, 504,
&end
#
# 0 AMB 20-2:1044 32 SER HB- 5.50 (# 1044:20 Single Ambig)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 472, 473, 472, 473,
igr2= 503, 504,
&end
#
# 30 GLN HB- 0 AMB 20-1:1045 5.50 (# 1045:20 Single Ambig)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 469, 470,
igr2= 503, 504, 503, 504,
&end
#
# 27 ARG HN 33 TRP HA 5.50 (# 1047:20 Unique 2.80, 3.29 A)
&rst
ixpk= 1047, nxpk= 20, iat= 414, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HN 33 TRP HA 5.50 (# 1048:20 Unique 2.87, 2.89 A)
&rst
ixpk= 1048, nxpk= 20, iat= 510, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HD1 33 TRP HA 5.50 (# 1050:20 Unique 3.01, 4.17 A)
&rst
ixpk= 1050, nxpk= 20, iat= 518, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG HA 33 TRP HA 5.50 (# 1051:20 Unique 1.95, 2.67 A)
&rst
ixpk= 1051, nxpk= 20, iat= 392, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HB+ 33 TRP HA 5.50 (# 1052:20 Unique 2.34, 2.70 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 514, 515,
&end
#
# 33 TRP HB- 33 TRP HA 5.50 (# 1053:20 Unique 2.34, 2.70 A)
&rst
ixpk= 1053, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 514, 515,
&end
#
# 33 TRP HA 33 TRP HB- 5.50 (# 1054:20 Unique 2.34, 2.70 A)
&rst
ixpk= 1054, nxpk= 20, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 514, 515,
&end
#
# 30 GLN HE2- 33 TRP HB- 5.50 (# 1055:20 Unique 5.98, 6.93 A)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 477, 478,
igr2= 514, 515,
&end
#
# 30 GLN HE2- 33 TRP HB+ 5.50 (# 1056:20 Unique 5.98, 6.93 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 477, 478,
igr2= 514, 515,
&end
#
# 33 TRP HD1 33 TRP HB+ 5.50 (# 1057:20 Unique 2.56, 3.28 A)
&rst
ixpk= 1057, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 514, 515,
&end
#
# 33 TRP HN 33 TRP HB+ 5.50 (# 1058:20 Unique 2.11, 3.13 A)
&rst
ixpk= 1058, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 514, 515,
&end
#
# 33 TRP HN 33 TRP HB- 5.50 (# 1059:20 Unique 2.11, 3.13 A)
&rst
ixpk= 1059, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 514, 515,
&end
#
# 24 TRP HE1 33 TRP HB+ 5.50 (# 1062:20 Unique 2.40, 2.99 A)
&rst
ixpk= 1062, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 514, 515,
&end
#
# 34 GLN HN 34 GLN HA 5.50 (# 1063:20 Unique 2.92, 2.94 A)
&rst
ixpk= 1063, nxpk= 20, iat= 534, 536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PHE HN 34 GLN HA 5.50 (# 1064:20 Unique 2.43, 2.47 A)
&rst
ixpk= 1064, nxpk= 20, iat= 551, 536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1065 34 GLN HA 5.50 (# 1065:20 Single Ambig)
&rst
ixpk= 1065, nxpk= 20, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 538, 539, 538, 539,
&end
#
# 57 GLU HG- 57 GLU HA 5.50 (# 1066:20 Unique 2.13, 3.03 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 881, 882,
&end
#
# 57 GLU HB+ 57 GLU HA 5.50 (# 1067:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 878, 879,
&end
#
# 34 GLN HA 34 GLN HB- 5.50 (# 1068:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1068, nxpk= 20, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 538, 539,
&end
#
# 34 GLN HA 34 GLN HB+ 5.50 (# 1069:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1069, nxpk= 20, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 538, 539,
&end
#
# 34 GLN HN 34 GLN HB- 5.50 (# 1070:20 Unique 2.35, 2.96 A)
&rst
ixpk= 1070, nxpk= 20, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 538, 539,
&end
#
# 34 GLN HN 34 GLN HB+ 5.50 (# 1071:20 Unique 2.35, 2.96 A)
&rst
ixpk= 1071, nxpk= 20, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 538, 539,
&end
#
# 87 ASP HN 87 ASP HA 4.50 (# 1072:20 Unique 2.85, 2.92 A)
&rst
ixpk= 1072, nxpk= 20, iat=1423,1425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1074 85 ARG HA 5.50 (# 1074:20 Single Ambig)
&rst
ixpk= 1074, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1403,1404,1361,
&end
#
# 35 PHE HB- 35 PHE HA 5.50 (# 1075:20 Unique 2.35, 2.59 A)
&rst
ixpk= 1075, nxpk= 20, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 555, 556,
&end
#
# 35 PHE HN 35 PHE HB+ 5.50 (# 1076:20 Unique 2.08, 2.91 A)
&rst
ixpk= 1076, nxpk= 20, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 555, 556,
&end
#
# 35 PHE HN 35 PHE HB- 5.50 (# 1077:20 Unique 2.08, 2.91 A)
&rst
ixpk= 1077, nxpk= 20, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 555, 556,
&end
#
# 35 PHE HA 35 PHE HB- 5.50 (# 1078:20 Unique 2.35, 2.59 A)
&rst
ixpk= 1078, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 555, 556,
&end
#
# 35 PHE HA 35 PHE HB+ 5.50 (# 1079:20 Unique 2.35, 2.59 A)
&rst
ixpk= 1079, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 555, 556,
&end
#
# 0 AMB 20-2:1082 36 PRO HA 5.50 (# 1082:20 Single Ambig)
&rst
ixpk= 1082, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 589, 590, 878, 879,
&end
#
# 36 PRO HB+ 36 PRO HA 5.50 (# 1083:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 578, 579,
&end
#
# 37 GLN HN 36 PRO HA 5.50 (# 1086:20 Unique 3.37, 3.51 A)
&rst
ixpk= 1086, nxpk= 20, iat= 585, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLN HN 36 PRO HB+ 5.50 (# 1087:20 Unique 1.89, 2.92 A)
&rst
ixpk= 1087, nxpk= 20, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 578, 579,
&end
#
# 37 GLN HN 36 PRO HB- 5.50 (# 1088:20 Unique 1.89, 2.92 A)
&rst
ixpk= 1088, nxpk= 20, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 578, 579,
&end
#
# 0 AMB 20-2:1090 0 AMB 20-1:1090 5.50 (# 1090:20 Double Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 847, 855, 773, 782,
igr2= 970, 971, 970, 971,
&end
#
# 36 PRO HA 36 PRO HB+ 5.50 (# 1091:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1091, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 578, 579,
&end
#
# 36 PRO HA 36 PRO HB- 5.50 (# 1092:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1092, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 578, 579,
&end
#
# 0 AMB 20-2:1093 0 AMB 20-1:1093 5.50 (# 1093:20 Double Ambig)
&rst
ixpk= 1093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 878, 879, 589, 590,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:1094 0 AMB 20-1:1094 5.50 (# 1094:20 Double Ambig)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1=1943,1944, 755, 756, 418, 419,2299,2300,
igr2= 578, 579, 578, 579, 578, 579, 578, 579,
&end
#
# 63 LYS HD- 63 LYS HB+ 2.80 (# 1095:20 Unique 2.02, 3.11 A)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 976, 977,
igr2= 970, 971,
&end
#
# 0 AMB 20-2:1096 0 AMB 20-1:1096 5.50 (# 1096:20 Double Ambig)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 189, 190, 814, 815, 816,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:1097 0 AMB 20-1:1097 3.50 (# 1097:20 Double Ambig)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 973, 974, 973, 974,
igr2= 970, 971, 970, 971,
&end
#
# 13 ILE HG1+ 36 PRO HB+ 5.50 (# 1098:20 Unique 2.79, 4.74 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 189, 190,
igr2= 578, 579,
&end
#
# 0 AMB 20-2:1099 0 AMB 20-1:1099 5.50 (# 1099:20 Double Ambig)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 829, 830, 831, 833, 834, 835, 895, 896, 897, 899,
900, 901,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:1101 0 AMB 20-1:1101 5.50 (# 1101:20 Double Ambig)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
igr1= 829, 830, 831, 833, 834, 835, 895, 896, 897, 899,
900, 901, 895, 896, 897, 899, 900, 901,1688,1689,
1690,1692,1693,1694,
igr2= 578, 579, 970, 971, 970, 971,
&end
#
# 41 ASN HA 42 PRO HG+ 5.50 (# 1102:20 Unique 4.38, 4.55 A)
&rst
ixpk= 1102, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 653, 654,
&end
#
# 42 PRO HA 42 PRO HG+ 5.50 (# 1103:20 Unique 3.85, 3.94 A)
&rst
ixpk= 1103, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 653, 654,
&end
#
# 42 PRO HD+ 42 PRO HG+ 5.50 (# 1104:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 653, 654,
&end
#
# 42 PRO HD- 42 PRO HG+ 5.50 (# 1105:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 653, 654,
&end
#
# 43 GLY HN 42 PRO HG+ 5.50 (# 1106:20 Unique 4.87, 5.37 A)
&rst
ixpk= 1106, nxpk= 20, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 653, 654,
&end
#
# 41 ASN HA 42 PRO HG- 5.50 (# 1107:20 Unique 4.38, 4.55 A)
&rst
ixpk= 1107, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 653, 654,
&end
#
# 42 PRO HA 42 PRO HG- 5.50 (# 1108:20 Unique 3.85, 3.94 A)
&rst
ixpk= 1108, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 653, 654,
&end
#
# 42 PRO HD+ 42 PRO HG- 5.50 (# 1109:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 653, 654,
&end
#
# 42 PRO HD- 42 PRO HG- 5.50 (# 1110:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 653, 654,
&end
#
# 41 ASN HB+ 42 PRO HG- 5.50 (# 1111:20 Unique 3.65, 5.14 A)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 639, 640,
igr2= 653, 654,
&end
#
# 41 ASN HB+ 42 PRO HG+ 5.50 (# 1112:20 Unique 3.65, 5.14 A)
&rst
ixpk= 1112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 639, 640,
igr2= 653, 654,
&end
#
# 42 PRO HB+ 42 PRO HG+ 4.50 (# 1113:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 656, 657,
igr2= 653, 654,
&end
#
# 42 PRO HB+ 42 PRO HG- 5.50 (# 1114:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 656, 657,
igr2= 653, 654,
&end
#
# 42 PRO HB- 42 PRO HG+ 4.50 (# 1115:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 656, 657,
igr2= 653, 654,
&end
#
# 42 PRO HB- 42 PRO HG- 5.50 (# 1116:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 656, 657,
igr2= 653, 654,
&end
#
# 0 AMB 20-2:1118 0 AMB 20-1:1118 5.50 (# 1118:20 Double Ambig)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 793, 794, 742, 743, 744,
igr2= 650, 651, 650, 651,
&end
#
# 42 PRO HB- 42 PRO HD+ 5.50 (# 1119:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 656, 657,
igr2= 650, 651,
&end
#
# 42 PRO HB- 42 PRO HD- 5.50 (# 1120:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 656, 657,
igr2= 650, 651,
&end
#
# 42 PRO HG- 42 PRO HD- 5.50 (# 1121:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 653, 654,
igr2= 650, 651,
&end
#
# 42 PRO HG- 42 PRO HD+ 5.50 (# 1122:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 653, 654,
igr2= 650, 651,
&end
#
# 0 AMB 20-2:1123 0 AMB 20-1:1123 5.50 (# 1123:20 Double Ambig)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 653, 654, 8, 9,
igr2= 650, 651, 650, 651,
&end
#
# 0 AMB 20-2:1124 42 PRO HD- 4.50 (# 1124:20 Single Ambig)
&rst
ixpk= 1124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 653, 654, 8, 9,
igr2= 650, 651,
&end
#
# 42 PRO HB+ 42 PRO HD- 5.50 (# 1125:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 656, 657,
igr2= 650, 651,
&end
#
# 42 PRO HB+ 42 PRO HD+ 5.50 (# 1126:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 656, 657,
igr2= 650, 651,
&end
#
# 41 ASN HB- 42 PRO HD+ 5.50 (# 1127:20 Unique 1.97, 3.58 A)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 639, 640,
igr2= 650, 651,
&end
#
# 41 ASN HB- 42 PRO HD- 5.50 (# 1128:20 Unique 1.97, 3.58 A)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 639, 640,
igr2= 650, 651,
&end
#
# 41 ASN HB+ 42 PRO HD- 5.50 (# 1129:20 Unique 1.97, 3.58 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 639, 640,
igr2= 650, 651,
&end
#
# 41 ASN HB+ 42 PRO HD+ 5.50 (# 1130:20 Unique 1.97, 3.58 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 639, 640,
igr2= 650, 651,
&end
#
# 42 PRO HA 42 PRO HD+ 5.50 (# 1131:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1131, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 650, 651,
&end
#
# 42 PRO HA 42 PRO HD- 5.50 (# 1132:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1132, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 650, 651,
&end
#
# 41 ASN HA 42 PRO HD+ 4.50 (# 1133:20 Unique 2.23, 2.41 A)
&rst
ixpk= 1133, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 650, 651,
&end
#
# 41 ASN HA 42 PRO HD- 4.50 (# 1134:20 Unique 2.23, 2.41 A)
&rst
ixpk= 1134, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 650, 651,
&end
#
# 41 ASN HN 42 PRO HD+ 5.50 (# 1135:20 Unique 4.70, 4.91 A)
&rst
ixpk= 1135, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 650, 651,
&end
#
# 41 ASN HN 42 PRO HD- 5.50 (# 1136:20 Unique 4.70, 4.91 A)
&rst
ixpk= 1136, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 650, 651,
&end
#
# 38 GLY HN 37 GLN HA 4.50 (# 1137:20 Unique 2.16, 2.27 A)
&rst
ixpk= 1137, nxpk= 20, iat= 602, 587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLN HN 37 GLN HA 5.50 (# 1138:20 Unique 2.27, 2.30 A)
&rst
ixpk= 1138, nxpk= 20, iat= 585, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ILE HN 37 GLN HA 5.50 (# 1139:20 Unique 3.88, 4.79 A)
&rst
ixpk= 1139, nxpk= 20, iat= 179, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLY HA+ 37 GLN HA 5.50 (# 1140:20 Unique 2.57, 4.10 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 175,
&end
#
# 95 GLN HG+ 37 GLN HA 5.50 (# 1141:20 Unique 5.21, 7.99 A)
&rst
ixpk= 1141, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1545,1546,
&end
#
# 37 GLN HB- 37 GLN HA 5.50 (# 1142:20 Unique 2.24, 2.75 A)
&rst
ixpk= 1142, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 589, 590,
&end
#
# 37 GLN HB+ 37 GLN HA 5.50 (# 1143:20 Unique 2.24, 2.75 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 589, 590,
&end
#
# 0 AMB 20-2:1144 37 GLN HA 5.50 (# 1144:20 Single Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 189, 190, 814, 815, 816,
&end
#
# 12 GLY HA- 37 GLN HA 5.50 (# 1145:20 Unique 2.57, 4.10 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 175,
&end
#
# 0 AMB 20-2:1146 37 GLN HA 5.50 (# 1146:20 Single Ambig)
&rst
ixpk= 1146, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 162, 163, 164, 166, 167, 168, 189, 190,
&end
#
# 0 AMB 20-2:1147 37 GLN HA 5.50 (# 1147:20 Single Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 578, 579,1581,1582,
&end
#
# 38 GLY HN 37 GLN HB- 5.50 (# 1148:20 Unique 2.59, 3.77 A)
&rst
ixpk= 1148, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 589, 590,
&end
#
# 38 GLY HN 37 GLN HB+ 5.50 (# 1149:20 Unique 2.59, 3.77 A)
&rst
ixpk= 1149, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 589, 590,
&end
#
# 37 GLN HN 37 GLN HB- 5.50 (# 1150:20 Unique 2.39, 3.49 A)
&rst
ixpk= 1150, nxpk= 20, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 589, 590,
&end
#
# 37 GLN HN 37 GLN HB+ 5.50 (# 1151:20 Unique 2.39, 3.49 A)
&rst
ixpk= 1151, nxpk= 20, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 589, 590,
&end
#
# 37 GLN HA 37 GLN HB- 5.50 (# 1154:20 Unique 2.24, 2.75 A)
&rst
ixpk= 1154, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 589, 590,
&end
#
# 37 GLN HA 37 GLN HB+ 5.50 (# 1155:20 Unique 2.24, 2.75 A)
&rst
ixpk= 1155, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 589, 590,
&end
#
# 11 VAL MGX 38 GLY HA+ 5.50 (# 1158:20 Unique 1.95, 5.75 A)
&rst
ixpk= 1158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 604, 605,
&end
#
# 11 VAL MGX 38 GLY HA- 5.50 (# 1159:20 Unique 1.95, 5.75 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 604, 605,
&end
#
# 53 ALA MB 38 GLY HA+ 5.50 (# 1160:20 Unique 1.99, 3.00 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 814, 815, 816,
igr2= 604, 605,
&end
#
# 53 ALA MB 38 GLY HA- 5.50 (# 1161:20 Unique 1.99, 3.00 A)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 814, 815, 816,
igr2= 604, 605,
&end
#
# 38 GLY HN 38 GLY HA+ 5.50 (# 1162:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1162, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 604, 605,
&end
#
# 38 GLY HN 38 GLY HA- 5.50 (# 1163:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1163, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 604, 605,
&end
#
# 39 GLY HN 38 GLY HA+ 4.50 (# 1164:20 Unique 2.29, 3.06 A)
&rst
ixpk= 1164, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 604, 605,
&end
#
# 39 GLY HN 38 GLY HA- 4.50 (# 1165:20 Unique 2.29, 3.06 A)
&rst
ixpk= 1165, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 604, 605,
&end
#
# 0 AMB 20-2:1166 0 AMB 20-1:1166 5.50 (# 1166:20 Double Ambig)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 620,1542,1543,
igr2= 611, 612, 611, 612,
&end
#
# 0 AMB 20-2:1167 39 GLY HA- 5.50 (# 1167:20 Single Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 620, 742, 743, 744,1542,1543,
igr2= 611, 612,
&end
#
# 11 VAL MGY 39 GLY HA+ 5.50 (# 1168:20 Unique 4.21, 6.38 A)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 611, 612,
&end
#
# 11 VAL MGY 39 GLY HA- 5.50 (# 1169:20 Unique 4.21, 6.38 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 611, 612,
&end
#
# 10 ASN HB- 39 GLY HA+ 5.50 (# 1170:20 Unique 2.08, 4.09 A)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 146, 147,
igr2= 611, 612,
&end
#
# 10 ASN HB- 39 GLY HA- 5.50 (# 1171:20 Unique 2.08, 4.09 A)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 146, 147,
igr2= 611, 612,
&end
#
# 10 ASN HA 39 GLY HA+ 5.50 (# 1172:20 Unique 1.96, 2.99 A)
&rst
ixpk= 1172, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 611, 612,
&end
#
# 10 ASN HA 39 GLY HA- 5.50 (# 1173:20 Unique 1.96, 2.99 A)
&rst
ixpk= 1173, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 611, 612,
&end
#
# 10 ASN HD2- 39 GLY HA+ 5.50 (# 1174:20 Unique 3.79, 5.85 A)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 151, 152,
igr2= 611, 612,
&end
#
# 10 ASN HD2- 39 GLY HA- 5.50 (# 1175:20 Unique 3.79, 5.85 A)
&rst
ixpk= 1175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 151, 152,
igr2= 611, 612,
&end
#
# 40 ILE HN 39 GLY HA+ 5.50 (# 1176:20 Unique 2.14, 2.77 A)
&rst
ixpk= 1176, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 611, 612,
&end
#
# 40 ILE HN 39 GLY HA- 5.50 (# 1177:20 Unique 2.14, 2.77 A)
&rst
ixpk= 1177, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 611, 612,
&end
#
# 39 GLY HN 39 GLY HA+ 5.50 (# 1178:20 Unique 2.30, 2.70 A)
&rst
ixpk= 1178, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 611, 612,
&end
#
# 39 GLY HN 39 GLY HA- 4.50 (# 1179:20 Unique 2.30, 2.70 A)
&rst
ixpk= 1179, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 611, 612,
&end
#
# 11 VAL HN 39 GLY HA+ 5.50 (# 1180:20 Unique 3.54, 4.55 A)
&rst
ixpk= 1180, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 611, 612,
&end
#
# 11 VAL HN 39 GLY HA- 5.50 (# 1181:20 Unique 3.54, 4.55 A)
&rst
ixpk= 1181, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 611, 612,
&end
#
# 0 AMB 20-2:1182 40 ILE HA 4.50 (# 1182:20 Single Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 622, 623, 624, 162, 163, 164, 166, 167, 168,
&end
#
# 49 ALA MB 40 ILE HA 4.50 (# 1183:20 Unique 1.93, 2.80 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 742, 743, 744,
&end
#
# 41 ASN HN 40 ILE HA 4.50 (# 1185:20 Unique 2.14, 2.21 A)
&rst
ixpk= 1185, nxpk= 20, iat= 635, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ILE HG1+ 40 ILE HA 5.50 (# 1186:20 Unique 2.44, 2.80 A)
&rst
ixpk= 1186, nxpk= 20, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 40 ILE HN 40 ILE HB 5.50 (# 1187:20 Unique 2.32, 2.50 A)
&rst
ixpk= 1187, nxpk= 20, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1188 40 ILE HB 5.50 (# 1188:20 Single Ambig)
&rst
ixpk= 1188, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 144, 138,
&end
#
# 40 ILE HA 40 ILE HB 5.50 (# 1189:20 Unique 3.00, 3.02 A)
&rst
ixpk= 1189, nxpk= 20, iat= 618, 620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 PRO HG+ 40 ILE HB 5.50 (# 1190:20 Unique 2.91, 4.08 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 132, 133,
&end
#
# 9 PRO HB+ 40 ILE HB 5.50 (# 1191:20 Unique 1.94, 2.93 A)
&rst
ixpk= 1191, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 135, 136,
&end
#
# 40 ILE QG2 40 ILE HB 4.50 (# 1193:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1193, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 622, 623, 624,
&end
#
# 40 ILE QD1 40 ILE HB 4.50 (# 1194:20 Unique 2.12, 3.10 A)
&rst
ixpk= 1194, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 629, 630, 631,
&end
#
# 40 ILE HG1+ 40 ILE HB 5.50 (# 1195:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1195, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 102 LEU HN 102 LEU HG 5.50 (# 1196:20 Unique 2.27, 3.57 A)
&rst
ixpk= 1196, nxpk= 20, iat=1679,1686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HN 40 ILE HG1+ 5.50 (# 1197:20 Unique 1.94, 2.92 A)
&rst
ixpk= 1197, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 626, 627,
&end
#
# 10 ASN HA 40 ILE HG1- 5.50 (# 1198:20 Unique 2.00, 3.30 A)
&rst
ixpk= 1198, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 626, 627,
&end
#
# 10 ASN HA 40 ILE HG1+ 5.50 (# 1199:20 Unique 2.00, 3.30 A)
&rst
ixpk= 1199, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 626, 627,
&end
#
# 40 ILE HA 40 ILE HG1+ 5.50 (# 1200:20 Unique 2.44, 2.80 A)
&rst
ixpk= 1200, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 626, 627,
&end
#
# 40 ILE QD1 40 ILE HG1+ 4.50 (# 1201:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 629, 630, 631,
igr2= 626, 627,
&end
#
# 40 ILE QD1 40 ILE HG1- 4.50 (# 1202:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 629, 630, 631,
igr2= 626, 627,
&end
#
# 10 ASN HN 40 ILE QD1 5.50 (# 1203:20 Unique 2.21, 3.67 A)
&rst
ixpk= 1203, nxpk= 20, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 11 VAL HN 40 ILE QD1 5.50 (# 1204:20 Unique 4.60, 5.74 A)
&rst
ixpk= 1204, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 46 ALA HN 40 ILE QD1 5.50 (# 1205:20 Unique 4.11, 6.32 A)
&rst
ixpk= 1205, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 98 LYS HN 40 ILE QD1 5.50 (# 1207:20 Unique 3.82, 5.39 A)
&rst
ixpk= 1207, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 74 TRP HZ2 40 ILE QD1 5.50 (# 1208:20 Unique 3.80, 5.00 A)
&rst
ixpk= 1208, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 40 ILE HN 40 ILE QD1 5.50 (# 1209:20 Unique 3.07, 4.13 A)
&rst
ixpk= 1209, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 74 TRP HH2 40 ILE QD1 3.50 (# 1211:20 Unique 2.00, 3.04 A)
&rst
ixpk= 1211, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 629, 630, 631,
&end
#
# 11 VAL HA 40 ILE QD1 5.50 (# 1212:20 Unique 3.82, 5.30 A)
&rst
ixpk= 1212, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:1213 40 ILE QD1 5.50 (# 1213:20 Single Ambig)
&rst
ixpk= 1213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 144,
igr2= 629, 630, 631,
&end
#
# 40 ILE HA 40 ILE QD1 5.50 (# 1214:20 Unique 2.00, 4.47 A)
&rst
ixpk= 1214, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 39 GLY HA+ 40 ILE QD1 5.50 (# 1215:20 Unique 4.72, 6.65 A)
&rst
ixpk= 1215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 611, 612,
igr2= 629, 630, 631,
&end
#
# 46 ALA HA 40 ILE QD1 4.50 (# 1216:20 Unique 2.10, 4.28 A)
&rst
ixpk= 1216, nxpk= 20, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 629, 630, 631,
&end
#
# 9 PRO HG+ 40 ILE QD1 5.50 (# 1217:20 Unique 4.22, 5.89 A)
&rst
ixpk= 1217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 132, 133,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:1218 40 ILE QD1 4.50 (# 1218:20 Single Ambig)
&rst
ixpk= 1218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 135, 136,1568,1569,
igr2= 629, 630, 631,
&end
#
# 9 PRO HB- 40 ILE QD1 4.50 (# 1219:20 Unique 2.00, 3.91 A)
&rst
ixpk= 1219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 135, 136,
igr2= 629, 630, 631,
&end
#
# 40 ILE HB 40 ILE QD1 2.80 (# 1220:20 Unique 2.12, 3.10 A)
&rst
ixpk= 1220, nxpk= 20, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 629, 630, 631,
&end
#
# 40 ILE HG1+ 40 ILE QD1 4.50 (# 1221:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 626, 627,
igr2= 629, 630, 631,
&end
#
# 11 VAL MGX 40 ILE QD1 5.50 (# 1222:20 Unique 1.99, 5.21 A)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 629, 630, 631,
&end
#
# 98 LYS HB- 40 ILE QD1 5.50 (# 1223:20 Unique 3.98, 6.64 A)
&rst
ixpk= 1223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1598,1599,
igr2= 629, 630, 631,
&end
#
# 41 ASN HN 40 ILE QG2 4.50 (# 1224:20 Unique 1.95, 3.13 A)
&rst
ixpk= 1224, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 622, 623, 624,
&end
#
# 45 SER HN 40 ILE QG2 5.50 (# 1225:20 Unique 2.65, 5.26 A)
&rst
ixpk= 1225, nxpk= 20, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
&end
#
# 49 ALA HN 40 ILE QG2 5.50 (# 1226:20 Unique 4.25, 5.72 A)
&rst
ixpk= 1226, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
&end
#
# 44 GLU HN 40 ILE QG2 5.50 (# 1227:20 Unique 3.79, 4.70 A)
&rst
ixpk= 1227, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
&end
#
# 40 ILE HN 40 ILE QG2 5.50 (# 1228:20 Unique 4.28, 4.52 A)
&rst
ixpk= 1228, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
&end
#
# 74 TRP HH2 40 ILE QG2 5.50 (# 1229:20 Unique 3.36, 5.18 A)
&rst
ixpk= 1229, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
&end
#
# 0 AMB 20-2:1230 40 ILE QG2 5.50 (# 1230:20 Single Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 144, 138,
igr2= 622, 623, 624,
&end
#
# 41 ASN HA 40 ILE QG2 5.50 (# 1231:20 Unique 3.95, 4.98 A)
&rst
ixpk= 1231, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
&end
#
# 44 GLU HA 40 ILE QG2 5.50 (# 1232:20 Unique 4.98, 6.13 A)
&rst
ixpk= 1232, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
&end
#
# 40 ILE HA 40 ILE QG2 4.50 (# 1233:20 Unique 2.26, 3.14 A)
&rst
ixpk= 1233, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 622, 623, 624,
&end
#
# 46 ALA HA 40 ILE QG2 5.50 (# 1234:20 Unique 2.46, 4.58 A)
&rst
ixpk= 1234, nxpk= 20, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
&end
#
# 44 GLU HG+ 40 ILE QG2 5.50 (# 1235:20 Unique 2.57, 5.46 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 677, 678,
igr2= 622, 623, 624,
&end
#
# 0 AMB 20-2:1236 40 ILE QG2 3.50 (# 1236:20 Single Ambig)
&rst
ixpk= 1236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 674, 675, 674, 675, 677, 678,
igr2= 622, 623, 624,
&end
#
# 9 PRO HB+ 40 ILE QG2 4.50 (# 1237:20 Unique 2.47, 4.90 A)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 135, 136,
igr2= 622, 623, 624,
&end
#
# 0 AMB 20-2:1239 40 ILE QG2 2.80 (# 1239:20 Single Ambig)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 742, 743, 744, 620,
igr2= 622, 623, 624,
&end
#
# 40 ILE HG1+ 40 ILE QG2 4.50 (# 1240:20 Unique 2.17, 3.42 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 626, 627,
igr2= 622, 623, 624,
&end
#
# 0 AMB 20-2:1241 40 ILE QG2 5.50 (# 1241:20 Single Ambig)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 162, 163, 164, 166, 167, 168,1565,1566,
igr2= 622, 623, 624,
&end
#
# 41 ASN HN 41 ASN HB+ 5.50 (# 1242:20 Unique 2.08, 2.79 A)
&rst
ixpk= 1242, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 639, 640,
&end
#
# 41 ASN HN 41 ASN HB- 5.50 (# 1243:20 Unique 2.08, 2.79 A)
&rst
ixpk= 1243, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 639, 640,
&end
#
# 41 ASN HD2+ 41 ASN HB+ 5.50 (# 1244:20 Unique 2.12, 3.27 A)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 644, 645,
igr2= 639, 640,
&end
#
# 41 ASN HD2+ 41 ASN HB- 5.50 (# 1245:20 Unique 2.12, 3.27 A)
&rst
ixpk= 1245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 644, 645,
igr2= 639, 640,
&end
#
# 41 ASN HD2- 41 ASN HB- 5.50 (# 1246:20 Unique 2.12, 3.27 A)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 644, 645,
igr2= 639, 640,
&end
#
# 41 ASN HD2- 41 ASN HB+ 5.50 (# 1247:20 Unique 2.12, 3.27 A)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 644, 645,
igr2= 639, 640,
&end
#
# 41 ASN HA 41 ASN HB+ 5.50 (# 1248:20 Unique 2.41, 2.84 A)
&rst
ixpk= 1248, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 639, 640,
&end
#
# 41 ASN HA 41 ASN HB- 5.50 (# 1249:20 Unique 2.41, 2.84 A)
&rst
ixpk= 1249, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 639, 640,
&end
#
# 42 PRO HD+ 41 ASN HB+ 5.50 (# 1250:20 Unique 1.97, 3.58 A)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 639, 640,
&end
#
# 42 PRO HD+ 41 ASN HB- 5.50 (# 1251:20 Unique 1.97, 3.58 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 639, 640,
&end
#
# 42 PRO HD- 41 ASN HB+ 5.50 (# 1252:20 Unique 1.97, 3.58 A)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 639, 640,
&end
#
# 42 PRO HD- 41 ASN HB- 5.50 (# 1253:20 Unique 1.97, 3.58 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 639, 640,
&end
#
# 0 AMB 20-2:1254 0 AMB 20-1:1254 5.50 (# 1254:20 Double Ambig)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 674, 675, 674, 675,
igr2= 639, 640, 639, 640,
&end
#
# 0 AMB 20-2:1255 41 ASN HB- 5.50 (# 1255:20 Single Ambig)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 674, 675, 674, 675,
igr2= 639, 640,
&end
#
# 43 GLY HN 42 PRO HA 3.50 (# 1256:20 Unique 2.21, 2.37 A)
&rst
ixpk= 1256, nxpk= 20, iat= 663, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 GLU HN 42 PRO HA 5.50 (# 1257:20 Unique 3.89, 4.09 A)
&rst
ixpk= 1257, nxpk= 20, iat= 670, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ASN HA 42 PRO HA 5.50 (# 1258:20 Unique 4.39, 4.39 A)
&rst
ixpk= 1258, nxpk= 20, iat= 637, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 GLY HA+ 42 PRO HA 5.50 (# 1259:20 Unique 4.31, 4.39 A)
&rst
ixpk= 1259, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 665, 666,
&end
#
# 42 PRO HD+ 42 PRO HA 5.50 (# 1260:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1260, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 650, 651,
&end
#
# 43 GLY HA- 42 PRO HA 5.50 (# 1261:20 Unique 4.31, 4.39 A)
&rst
ixpk= 1261, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 665, 666,
&end
#
# 42 PRO HD- 42 PRO HA 5.50 (# 1262:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 650, 651,
&end
#
# 42 PRO HB+ 42 PRO HA 4.50 (# 1263:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1263, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 656, 657,
&end
#
# 0 AMB 20-2:1264 42 PRO HA 5.50 (# 1264:20 Single Ambig)
&rst
ixpk= 1264, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 653, 654, 8, 9, 8, 9, 674, 675, 674, 675,
&end
#
# 42 PRO HB- 42 PRO HA 4.50 (# 1266:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 656, 657,
&end
#
# 40 ILE QG2 42 PRO HA 5.50 (# 1267:20 Unique 4.51, 5.56 A)
&rst
ixpk= 1267, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 622, 623, 624,
&end
#
# 42 PRO HG+ 42 PRO HB- 4.50 (# 1268:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 653, 654,
igr2= 656, 657,
&end
#
# 0 AMB 20-2:1269 0 AMB 20-1:1269 3.50 (# 1269:20 Double Ambig)
&rst
ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 653, 654,1705,1706,1705,1706,
igr2= 656, 657,1702,1703,1702,1703,
&end
#
# 0 AMB 20-2:1270 0 AMB 20-1:1270 4.50 (# 1270:20 Double Ambig)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 653, 654, 15, 16, 17,
igr2= 656, 657, 656, 657,
&end
#
# 42 PRO HG+ 42 PRO HB+ 2.80 (# 1271:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 653, 654,
igr2= 656, 657,
&end
#
# 42 PRO HD- 42 PRO HB+ 5.50 (# 1272:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 656, 657,
&end
#
# 42 PRO HD- 42 PRO HB- 5.50 (# 1273:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 656, 657,
&end
#
# 42 PRO HD+ 42 PRO HB+ 5.50 (# 1274:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 656, 657,
&end
#
# 42 PRO HD+ 42 PRO HB- 5.50 (# 1275:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 656, 657,
&end
#
# 42 PRO HA 42 PRO HB+ 4.50 (# 1276:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1276, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 656, 657,
&end
#
# 42 PRO HA 42 PRO HB- 5.50 (# 1277:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1277, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 656, 657,
&end
#
# 41 ASN HA 42 PRO HB+ 5.50 (# 1278:20 Unique 4.83, 5.25 A)
&rst
ixpk= 1278, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 656, 657,
&end
#
# 103 GLN HA 103 GLN HB+ 5.50 (# 1279:20 Unique 2.45, 2.82 A)
&rst
ixpk= 1279, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1702,1703,
&end
#
# 44 GLU HN 42 PRO HB+ 5.50 (# 1280:20 Unique 4.81, 5.59 A)
&rst
ixpk= 1280, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 656, 657,
&end
#
# 44 GLU HN 42 PRO HB- 5.50 (# 1281:20 Unique 4.81, 5.59 A)
&rst
ixpk= 1281, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 656, 657,
&end
#
# 43 GLY HN 42 PRO HB+ 5.50 (# 1282:20 Unique 3.99, 4.35 A)
&rst
ixpk= 1282, nxpk= 20, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 656, 657,
&end
#
# 104 LEU HN 103 GLN HB+ 5.50 (# 1283:20 Unique 2.64, 3.82 A)
&rst
ixpk= 1283, nxpk= 20, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1702,1703,
&end
#
# 113 MET HN 0 AMB 20-1:1284 5.50 (# 1284:20 Single Ambig)
&rst
ixpk= 1284, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1862,1863,1862,1863,
&end
#
# 114 GLN HN 0 AMB 20-1:1285 4.50 (# 1285:20 Single Ambig)
&rst
ixpk= 1285, nxpk= 20, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1862,1863,1862,1863,
&end
#
# 160 GLU HN 0 AMB 20-1:1286 5.50 (# 1286:20 Single Ambig)
&rst
ixpk= 1286, nxpk= 20, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2629,2630,2629,2630,
&end
#
# 115 THR HN 0 AMB 20-1:1287 5.50 (# 1287:20 Single Ambig)
&rst
ixpk= 1287, nxpk= 20, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1862,1863,1862,1863,
&end
#
# 0 AMB 20-2:1288 0 AMB 20-1:1288 3.50 (# 1288:20 Double Ambig)
&rst
ixpk= 1288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2622,1867,1868,1867,1868,
igr2=2629,2630,2629,2630,1862,1863,1862,1863,
&end
#
# 0 AMB 20-2:1289 0 AMB 20-1:1289 5.50 (# 1289:20 Double Ambig)
&rst
ixpk= 1289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2603, 282,
igr2=2629,2630,2629,2630,2629,2630,
&end
#
# 0 AMB 20-2:1290 0 AMB 20-1:1290 5.50 (# 1290:20 Double Ambig)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2634,2635,2634,2635,
igr2=2629,2630,2629,2630,
&end
#
# 114 GLN HE2- 0 AMB 20-1:1291 5.50 (# 1291:20 Single Ambig)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1867,1868,
igr2=1862,1863,1862,1863,
&end
#
# 159 GLN HE2- 0 AMB 20-1:1292 5.50 (# 1292:20 Single Ambig)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2634,2635,
igr2=2629,2630,2629,2630,
&end
#
# 0 AMB 20-2:1293 0 AMB 20-1:1293 5.50 (# 1293:20 Double Ambig)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1932,2080,
igr2=1862,1863,1862,1863,2629,2630,2629,2630,
&end
#
# 156 MET HA 0 AMB 20-1:1294 3.50 (# 1294:20 Single Ambig)
&rst
ixpk= 1294, nxpk= 20, iat=2577, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2629,2630,2629,2630,
&end
#
# 0 AMB 20-2:1295 0 AMB 20-1:1295 5.50 (# 1295:20 Double Ambig)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.56, r4=11.06,
igr1=1874,1876,1912,2596,2597,
igr2=1862,1863,1862,1863,1862,1863,1862,1863,2629,2630,
&end
#
# 112 ASN HB- 0 AMB 20-1:1296 5.50 (# 1296:20 Single Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1828,1829,
igr2=1862,1863,1862,1863,
&end
#
# 0 AMB 20-2:1297 0 AMB 20-1:1297 2.80 (# 1297:20 Double Ambig)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2626,2627,2579,2580,2579,2580,
igr2=2629,2630,2629,2630,2629,2630,
&end
#
# 0 AMB 20-2:1298 0 AMB 20-1:1298 2.80 (# 1298:20 Double Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2626,2627,2626,2627,
igr2=2629,2630,2629,2630,
&end
#
# 0 AMB 20-2:1299 0 AMB 20-1:1299 5.50 (# 1299:20 Double Ambig)
&rst
ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1926,1927,2607,2608,
igr2=1862,1863,1862,1863,2629,2630,2629,2630,
&end
#
# 2 ILE QG2 90 PRO HB+ 5.50 (# 1300:20 Unique 3.15, 5.06 A)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 27, 28, 29,
igr2=1478,1479,
&end
#
# 0 AMB 20-2:1301 0 AMB 20-1:1301 4.50 (# 1301:20 Double Ambig)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1512, 663,
igr2= 78, 79, 665, 666,
&end
#
# 43 GLY HN 43 GLY HA+ 4.50 (# 1302:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1302, nxpk= 20, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 665, 666,
&end
#
# 44 GLU HN 43 GLY HA- 5.50 (# 1303:20 Unique 2.90, 3.24 A)
&rst
ixpk= 1303, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 665, 666,
&end
#
# 44 GLU HN 43 GLY HA+ 5.50 (# 1304:20 Unique 2.90, 3.24 A)
&rst
ixpk= 1304, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 665, 666,
&end
#
# 45 SER HA 43 GLY HA- 5.50 (# 1306:20 Unique 5.42, 6.33 A)
&rst
ixpk= 1306, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 665, 666,
&end
#
# 0 AMB 20-2:1307 0 AMB 20-1:1307 5.50 (# 1307:20 Double Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 248, 249,1772,1773,1772,1773,
igr2=1763,1764,1763,1764,1763,1764,
&end
#
# 0 AMB 20-2:1308 0 AMB 20-1:1308 5.50 (# 1308:20 Double Ambig)
&rst
ixpk= 1308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1= 674, 675, 674, 675, 653, 654, 677, 678,
igr2= 665, 666, 665, 666, 665, 666, 665, 666,
&end
#
# 110 GLU HB- 107 GLY HA+ 5.50 (# 1309:20 Unique 2.86, 5.65 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1794,1795,
igr2=1763,1764,
&end
#
# 0 AMB 20-2:1310 0 AMB 20-1:1310 5.50 (# 1310:20 Double Ambig)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1784,1785,1786, 248, 249, 919,
igr2=1763,1764,1763,1764,1763,1764,
&end
#
# 104 LEU MDY 107 GLY HA+ 5.50 (# 1311:20 Unique 1.98, 3.94 A)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1763,1764,
&end
#
# 45 SER HN 44 GLU HA 3.50 (# 1312:20 Unique 2.14, 2.64 A)
&rst
ixpk= 1312, nxpk= 20, iat= 685, 672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 GLU HN 44 GLU HA 5.50 (# 1313:20 Unique 2.79, 2.86 A)
&rst
ixpk= 1313, nxpk= 20, iat= 670, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HB+ 44 GLU HA 3.50 (# 1314:20 Unique 3.27, 4.62 A)
&rst
ixpk= 1314, nxpk= 20, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 725, 726,
&end
#
# 0 AMB 20-2:1315 44 GLU HA 4.50 (# 1315:20 Single Ambig)
&rst
ixpk= 1315, nxpk= 20, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 674, 675, 674, 675, 677, 678,
&end
#
# 104 LEU HG 104 LEU HA 5.50 (# 1316:20 Unique 2.24, 2.98 A)
&rst
ixpk= 1316, nxpk= 20, iat=1722,1717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU MDX 104 LEU HA 5.50 (# 1317:20 Unique 1.96, 3.90 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 20-2:1318 104 LEU HA 5.50 (# 1318:20 Single Ambig)
&rst
ixpk= 1318, nxpk= 20, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1006,1007,1008,1010,1011,1012,1740,1741,1742,1744,
1745,1746,
&end
#
# 49 ALA MB 44 GLU HB+ 5.50 (# 1319:20 Unique 2.42, 4.59 A)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 742, 743, 744,
igr2= 674, 675,
&end
#
# 49 ALA MB 0 AMB 20-1:1320 5.50 (# 1320:20 Single Ambig)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 742, 743, 744,
igr2= 674, 675, 674, 675,
&end
#
# 44 GLU HG+ 44 GLU HB- 5.50 (# 1321:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 677, 678,
igr2= 674, 675,
&end
#
# 44 GLU HG+ 44 GLU HB+ 4.50 (# 1322:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 677, 678,
igr2= 674, 675,
&end
#
# 0 AMB 20-2:1323 0 AMB 20-1:1323 5.50 (# 1323:20 Double Ambig)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 639, 640, 639, 640,
igr2= 674, 675, 674, 675,
&end
#
# 0 AMB 20-2:1324 0 AMB 20-1:1324 5.50 (# 1324:20 Double Ambig)
&rst
ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 639, 640,2302,2303,
igr2= 674, 675,2351,
&end
#
# 44 GLU HA 44 GLU HB- 5.50 (# 1325:20 Unique 2.33, 2.74 A)
&rst
ixpk= 1325, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 675,
&end
#
# 44 GLU HA 44 GLU HB+ 5.50 (# 1326:20 Unique 2.33, 2.74 A)
&rst
ixpk= 1326, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 675,
&end
#
# 44 GLU HN 44 GLU HB+ 4.50 (# 1327:20 Unique 2.38, 2.61 A)
&rst
ixpk= 1327, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 674, 675,
&end
#
# 45 SER HN 44 GLU HB+ 5.50 (# 1329:20 Unique 1.70, 3.78 A)
&rst
ixpk= 1329, nxpk= 20, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 675,
&end
#
# 45 SER HN 44 GLU HB- 5.50 (# 1330:20 Unique 1.70, 3.78 A)
&rst
ixpk= 1330, nxpk= 20, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 675,
&end
#
# 41 ASN HN 0 AMB 20-1:1331 5.50 (# 1331:20 Single Ambig)
&rst
ixpk= 1331, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 674, 675, 674, 675,
&end
#
# 41 ASN HN 44 GLU HB- 5.50 (# 1332:20 Unique 2.30, 3.32 A)
&rst
ixpk= 1332, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 675,
&end
#
# 41 ASN HN 44 GLU HG+ 5.50 (# 1333:20 Unique 2.42, 4.20 A)
&rst
ixpk= 1333, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 41 ASN HN 44 GLU HG- 5.50 (# 1334:20 Unique 2.42, 4.20 A)
&rst
ixpk= 1334, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 45 SER HN 44 GLU HG+ 5.50 (# 1335:20 Unique 2.24, 3.49 A)
&rst
ixpk= 1335, nxpk= 20, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 45 SER HN 44 GLU HG- 5.50 (# 1336:20 Unique 2.24, 3.49 A)
&rst
ixpk= 1336, nxpk= 20, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 49 ALA HN 44 GLU HG- 5.50 (# 1337:20 Unique 2.37, 3.11 A)
&rst
ixpk= 1337, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 49 ALA HN 44 GLU HG+ 5.50 (# 1338:20 Unique 2.37, 3.11 A)
&rst
ixpk= 1338, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 44 GLU HN 44 GLU HG+ 5.50 (# 1339:20 Unique 2.44, 4.45 A)
&rst
ixpk= 1339, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 44 GLU HN 44 GLU HG- 5.50 (# 1340:20 Unique 2.44, 4.45 A)
&rst
ixpk= 1340, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 44 GLU HA 44 GLU HG+ 5.50 (# 1341:20 Unique 2.57, 3.27 A)
&rst
ixpk= 1341, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 44 GLU HA 44 GLU HG- 5.50 (# 1342:20 Unique 2.57, 3.27 A)
&rst
ixpk= 1342, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 40 ILE HA 44 GLU HG+ 5.50 (# 1343:20 Unique 4.04, 5.41 A)
&rst
ixpk= 1343, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 49 ALA HA 44 GLU HG- 5.50 (# 1344:20 Unique 2.44, 3.51 A)
&rst
ixpk= 1344, nxpk= 20, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 677, 678,
&end
#
# 41 ASN HB+ 44 GLU HG- 5.50 (# 1345:20 Unique 2.72, 4.26 A)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 639, 640,
igr2= 677, 678,
&end
#
# 52 ARG HB+ 44 GLU HG+ 5.50 (# 1346:20 Unique 3.93, 6.02 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 790, 791,
igr2= 677, 678,
&end
#
# 49 ALA MB 44 GLU HG- 5.50 (# 1347:20 Unique 1.95, 3.83 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 742, 743, 744,
igr2= 677, 678,
&end
#
# 49 ALA MB 44 GLU HG+ 5.50 (# 1348:20 Unique 1.95, 3.83 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 742, 743, 744,
igr2= 677, 678,
&end
#
# 40 ILE QG2 44 GLU HG+ 5.50 (# 1349:20 Unique 2.57, 5.46 A)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 622, 623, 624,
igr2= 677, 678,
&end
#
# 40 ILE QG2 44 GLU HG- 5.50 (# 1350:20 Unique 2.57, 5.46 A)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 622, 623, 624,
igr2= 677, 678,
&end
#
# 46 ALA HN 45 SER HA 5.50 (# 1351:20 Unique 2.37, 2.60 A)
&rst
ixpk= 1351, nxpk= 20, iat= 696, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 SER HN 45 SER HA 5.50 (# 1352:20 Unique 2.29, 2.68 A)
&rst
ixpk= 1352, nxpk= 20, iat= 685, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 SER HB- 45 SER HA 5.50 (# 1354:20 Unique 2.36, 2.82 A)
&rst
ixpk= 1354, nxpk= 20, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 689, 690,
&end
#
# 0 AMB 20-2:1355 45 SER HB- 5.50 (# 1355:20 Single Ambig)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 700, 701, 702, 742, 743, 744,
igr2= 689, 690,
&end
#
# 0 AMB 20-2:1356 0 AMB 20-1:1356 5.50 (# 1356:20 Double Ambig)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 700, 701, 702, 742, 743, 744,
igr2= 689, 690, 689, 690,
&end
#
# 0 AMB 20-2:1357 0 AMB 20-1:1357 5.50 (# 1357:20 Double Ambig)
&rst
ixpk= 1357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 677, 678, 710, 711,
igr2= 689, 690, 689, 690,
&end
#
# 0 AMB 20-2:1358 45 SER HB- 5.50 (# 1358:20 Single Ambig)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 677, 678, 710, 711,
igr2= 689, 690,
&end
#
# 0 AMB 20-2:1359 45 SER HB- 5.50 (# 1359:20 Single Ambig)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 728, 729, 728, 729,
igr2= 689, 690,
&end
#
# 45 SER HA 45 SER HB+ 4.50 (# 1360:20 Unique 2.36, 2.82 A)
&rst
ixpk= 1360, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 689, 690,
&end
#
# 45 SER HA 45 SER HB- 4.50 (# 1361:20 Unique 2.36, 2.82 A)
&rst
ixpk= 1361, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 689, 690,
&end
#
# 48 GLN HN 45 SER HB- 5.50 (# 1362:20 Unique 2.61, 3.53 A)
&rst
ixpk= 1362, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 689, 690,
&end
#
# 48 GLN HN 45 SER HB+ 5.50 (# 1363:20 Unique 2.61, 3.53 A)
&rst
ixpk= 1363, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 689, 690,
&end
#
# 0 AMB 20-2:1364 45 SER HB- 5.50 (# 1364:20 Single Ambig)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 685, 706,
igr2= 689, 690,
&end
#
# 0 AMB 20-2:1365 0 AMB 20-1:1365 5.50 (# 1365:20 Double Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 685, 706,
igr2= 689, 690, 689, 690,
&end
#
# 46 ALA HN 45 SER HB+ 5.50 (# 1366:20 Unique 2.12, 3.22 A)
&rst
ixpk= 1366, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 689, 690,
&end
#
# 46 ALA HN 45 SER HB- 5.50 (# 1367:20 Unique 2.12, 3.22 A)
&rst
ixpk= 1367, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 689, 690,
&end
#
# 46 ALA HN 46 ALA HA 5.50 (# 1368:20 Unique 2.80, 2.87 A)
&rst
ixpk= 1368, nxpk= 20, iat= 696, 698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1369 46 ALA HA 5.50 (# 1369:20 Single Ambig)
&rst
ixpk= 1369, nxpk= 20, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 706, 685,
&end
#
# 49 ALA HN 46 ALA HA 5.50 (# 1370:20 Unique 3.18, 3.77 A)
&rst
ixpk= 1370, nxpk= 20, iat= 738, 698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HN 46 ALA HA 5.50 (# 1371:20 Unique 3.69, 4.93 A)
&rst
ixpk= 1371, nxpk= 20, iat= 721, 698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HH2 46 ALA HA 5.50 (# 1372:20 Unique 2.26, 2.89 A)
&rst
ixpk= 1372, nxpk= 20, iat=1166, 698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1373 46 ALA HA 5.50 (# 1373:20 Single Ambig)
&rst
ixpk= 1373, nxpk= 20, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 677, 678, 710, 711, 674, 675, 674, 675, 713, 714,
&end
#
# 0 AMB 20-2:1374 46 ALA HA 2.80 (# 1374:20 Single Ambig)
&rst
ixpk= 1374, nxpk= 20, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 742, 743, 744, 700, 701, 702,
&end
#
# 11 VAL MGY 46 ALA HA 3.50 (# 1375:20 Unique 2.97, 4.93 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:1376 46 ALA HA 5.50 (# 1376:20 Single Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 626, 627,1604,1605,
&end
#
# 11 VAL MGX 46 ALA HA 5.50 (# 1377:20 Unique 2.97, 4.93 A)
&rst
ixpk= 1377, nxpk= 20, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HB- 46 ALA MB 5.50 (# 1378:20 Unique 2.81, 4.94 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1598,1599,
igr2= 700, 701, 702,
&end
#
# 98 LYS HG- 46 ALA MB 5.50 (# 1379:20 Unique 2.63, 4.96 A)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1601,1602,
igr2= 700, 701, 702,
&end
#
# 0 AMB 20-2:1380 46 ALA MB 5.50 (# 1380:20 Single Ambig)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1601,1602, 162, 163, 164, 166, 167, 168,
igr2= 700, 701, 702,
&end
#
# 98 LYS HD- 46 ALA MB 5.50 (# 1381:20 Unique 1.97, 3.47 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1604,1605,
igr2= 700, 701, 702,
&end
#
# 98 LYS HD+ 46 ALA MB 5.50 (# 1382:20 Unique 1.97, 3.47 A)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1604,1605,
igr2= 700, 701, 702,
&end
#
# 11 VAL MGY 46 ALA MB 3.50 (# 1383:20 Unique 3.00, 6.38 A)
&rst
ixpk= 1383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 700, 701, 702,
&end
#
# 47 GLU HG- 46 ALA MB 5.50 (# 1384:20 Unique 3.75, 7.11 A)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 713, 714,
igr2= 700, 701, 702,
&end
#
# 0 AMB 20-2:1385 46 ALA MB 5.50 (# 1385:20 Single Ambig)
&rst
ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 713, 714, 710, 711,
igr2= 700, 701, 702,
&end
#
# 47 GLU HA 46 ALA MB 5.50 (# 1386:20 Unique 3.83, 4.85 A)
&rst
ixpk= 1386, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 700, 701, 702,
&end
#
# 46 ALA HA 46 ALA MB 3.50 (# 1387:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1387, nxpk= 20, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 700, 701, 702,
&end
#
# 45 SER HB+ 46 ALA MB 5.50 (# 1388:20 Unique 4.41, 5.91 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 689, 690,
igr2= 700, 701, 702,
&end
#
# 45 SER HA 46 ALA MB 5.50 (# 1389:20 Unique 4.32, 5.16 A)
&rst
ixpk= 1389, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 700, 701, 702,
&end
#
# 11 VAL HA 46 ALA MB 5.50 (# 1390:20 Unique 5.19, 6.76 A)
&rst
ixpk= 1390, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 700, 701, 702,
&end
#
# 48 GLN HE2- 46 ALA MB 4.50 (# 1391:20 Unique 5.85, 7.36 A)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 733, 734,
igr2= 700, 701, 702,
&end
#
# 74 TRP HH2 46 ALA MB 3.50 (# 1392:20 Unique 1.96, 2.86 A)
&rst
ixpk= 1392, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 700, 701, 702,
&end
#
# 74 TRP HZ2 46 ALA MB 5.50 (# 1393:20 Unique 1.98, 2.89 A)
&rst
ixpk= 1393, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 700, 701, 702,
&end
#
# 0 AMB 20-2:1394 46 ALA MB 5.50 (# 1394:20 Single Ambig)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 721, 172,
igr2= 700, 701, 702,
&end
#
# 98 LYS HN 46 ALA MB 5.50 (# 1395:20 Unique 4.46, 6.05 A)
&rst
ixpk= 1395, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 700, 701, 702,
&end
#
# 47 GLU HN 46 ALA MB 4.50 (# 1396:20 Unique 2.42, 3.60 A)
&rst
ixpk= 1396, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 700, 701, 702,
&end
#
# 49 ALA HN 46 ALA MB 5.50 (# 1397:20 Unique 5.22, 5.81 A)
&rst
ixpk= 1397, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 700, 701, 702,
&end
#
# 46 ALA HN 46 ALA MB 3.50 (# 1398:20 Unique 2.15, 2.93 A)
&rst
ixpk= 1398, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 700, 701, 702,
&end
#
# 47 GLU HN 47 GLU HA 5.50 (# 1399:20 Unique 2.75, 2.83 A)
&rst
ixpk= 1399, nxpk= 20, iat= 706, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 MET HN 47 GLU HA 5.50 (# 1400:20 Unique 3.23, 3.52 A)
&rst
ixpk= 1400, nxpk= 20, iat= 748, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1401 47 GLU HA 5.50 (# 1401:20 Single Ambig)
&rst
ixpk= 1401, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 765, 786,
&end
#
# 48 GLN HN 47 GLU HA 5.50 (# 1402:20 Unique 3.43, 3.55 A)
&rst
ixpk= 1402, nxpk= 20, iat= 721, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HD 47 GLU HA 5.50 (# 1403:20 Unique 4.17, 6.14 A)
&rst
ixpk= 1403, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 773, 782,
&end
#
# 51 TYR HE 47 GLU HA 5.50 (# 1405:20 Unique 3.01, 5.25 A)
&rst
ixpk= 1405, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 775, 780,
&end
#
# 0 AMB 20-2:1406 47 GLU HA 5.50 (# 1406:20 Single Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 723, 689, 690,
&end
#
# 0 AMB 20-2:1407 47 GLU HA 5.50 (# 1407:20 Single Ambig)
&rst
ixpk= 1407, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 750,1092,1093,
&end
#
# 0 AMB 20-2:1408 47 GLU HA 5.50 (# 1408:20 Single Ambig)
&rst
ixpk= 1408, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 952, 953, 952, 953, 769, 770,
&end
#
# 0 AMB 20-2:1409 47 GLU HA 4.50 (# 1409:20 Single Ambig)
&rst
ixpk= 1409, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 713, 714, 710, 711,
&end
#
# 47 GLU HB- 47 GLU HA 5.50 (# 1410:20 Unique 2.34, 2.72 A)
&rst
ixpk= 1410, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 710, 711,
&end
#
# 47 GLU HG- 47 GLU HA 4.50 (# 1411:20 Unique 2.17, 2.92 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 713, 714,
&end
#
# 0 AMB 20-2:1412 47 GLU HA 4.50 (# 1412:20 Single Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 755, 756, 700, 701, 702,
&end
#
# 50 MET HG+ 47 GLU HA 4.50 (# 1413:20 Unique 3.80, 4.97 A)
&rst
ixpk= 1413, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 755, 756,
&end
#
# 50 MET HB- 47 GLU HA 5.50 (# 1414:20 Unique 2.40, 3.06 A)
&rst
ixpk= 1414, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 752, 753,
&end
#
# 11 VAL MGY 47 GLU HA 5.50 (# 1415:20 Unique 4.72, 6.94 A)
&rst
ixpk= 1415, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:1416 47 GLU HA 5.50 (# 1416:20 Single Ambig)
&rst
ixpk= 1416, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1053,1054,1055,1688,1689,1690,1692,1693,1694,
&end
#
# 50 MET ME 47 GLU HA 5.50 (# 1417:20 Unique 1.85, 3.61 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 759, 760, 761,
&end
#
# 47 GLU HN 47 GLU HB+ 4.50 (# 1418:20 Unique 2.08, 2.60 A)
&rst
ixpk= 1418, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 47 GLU HN 47 GLU HB- 5.50 (# 1419:20 Unique 2.08, 2.60 A)
&rst
ixpk= 1419, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 48 GLN HN 47 GLU HB+ 5.50 (# 1420:20 Unique 1.99, 2.98 A)
&rst
ixpk= 1420, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 48 GLN HN 47 GLU HB- 5.50 (# 1421:20 Unique 1.99, 2.98 A)
&rst
ixpk= 1421, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 56 GLU HA 56 GLU HB+ 5.50 (# 1422:20 Unique 2.27, 2.72 A)
&rst
ixpk= 1422, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 864,
&end
#
# 47 GLU HA 47 GLU HB+ 5.50 (# 1423:20 Unique 2.34, 2.72 A)
&rst
ixpk= 1423, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:1424 0 AMB 20-1:1424 5.50 (# 1424:20 Double Ambig)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2321,2322, 708,
igr2=2315,2316, 710, 711,
&end
#
# 56 GLU HG+ 56 GLU HB+ 5.50 (# 1425:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 866, 867,
igr2= 863, 864,
&end
#
# 50 MET ME 47 GLU HB+ 5.50 (# 1427:20 Unique 3.65, 5.66 A)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 759, 760, 761,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:1428 0 AMB 20-1:1428 5.50 (# 1428:20 Double Ambig)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.08, r4=12.58,
igr1=1053,1054,1055,1604,1605,1878,1879,1880, 895, 896,
897, 899, 900, 901,
igr2= 710, 711, 710, 711, 863, 864, 863, 864,
&end
#
# 0 AMB 20-2:1429 0 AMB 20-1:1429 5.50 (# 1429:20 Double Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 759, 760, 761,2296,2297,2296,2297,
igr2= 710, 711,2315,2316,2315,2316,
&end
#
# 0 AMB 20-2:1430 47 GLU HB- 5.50 (# 1430:20 Single Ambig)
&rst
ixpk= 1430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1053,1054,1055,1688,1689,1690,1692,1693,1694,
igr2= 710, 711,
&end
#
# 47 GLU HN 47 GLU HG+ 5.50 (# 1431:20 Unique 3.05, 4.31 A)
&rst
ixpk= 1431, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 713, 714,
&end
#
# 47 GLU HN 47 GLU HG- 5.50 (# 1432:20 Unique 3.05, 4.31 A)
&rst
ixpk= 1432, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 713, 714,
&end
#
# 48 GLN HN 47 GLU HG+ 5.50 (# 1433:20 Unique 2.54, 3.83 A)
&rst
ixpk= 1433, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 713, 714,
&end
#
# 48 GLN HN 47 GLU HG- 5.50 (# 1434:20 Unique 2.54, 3.83 A)
&rst
ixpk= 1434, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 713, 714,
&end
#
# 51 TYR HD 47 GLU HG+ 5.50 (# 1435:20 Unique 3.75, 6.13 A)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 773, 782,
igr2= 713, 714,
&end
#
# 51 TYR HD 47 GLU HG- 5.50 (# 1436:20 Unique 3.75, 6.13 A)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 773, 782,
igr2= 713, 714,
&end
#
# 48 GLN HE2- 47 GLU HG+ 5.50 (# 1437:20 Unique 3.40, 6.16 A)
&rst
ixpk= 1437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 733, 734,
igr2= 713, 714,
&end
#
# 51 TYR HE 47 GLU HG+ 5.50 (# 1438:20 Unique 1.98, 4.67 A)
&rst
ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 775, 780,
igr2= 713, 714,
&end
#
# 51 TYR HE 47 GLU HG- 5.50 (# 1439:20 Unique 1.98, 4.67 A)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 775, 780,
igr2= 713, 714,
&end
#
# 47 GLU HA 47 GLU HG+ 5.50 (# 1440:20 Unique 2.17, 2.92 A)
&rst
ixpk= 1440, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 713, 714,
&end
#
# 47 GLU HA 47 GLU HG- 5.50 (# 1441:20 Unique 2.17, 2.92 A)
&rst
ixpk= 1441, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 713, 714,
&end
#
# 47 GLU HB- 47 GLU HG+ 3.50 (# 1442:20 Unique 2.23, 2.72 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 710, 711,
igr2= 713, 714,
&end
#
# 47 GLU HB- 47 GLU HG- 4.50 (# 1443:20 Unique 2.23, 2.72 A)
&rst
ixpk= 1443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 710, 711,
igr2= 713, 714,
&end
#
# 0 AMB 20-2:1444 0 AMB 20-1:1444 5.50 (# 1444:20 Double Ambig)
&rst
ixpk= 1444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 700, 701, 702, 755, 756,
igr2= 713, 714, 713, 714,
&end
#
# 0 AMB 20-2:1445 47 GLU HG- 5.50 (# 1445:20 Single Ambig)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 700, 701, 702, 755, 756,
igr2= 713, 714,
&end
#
# 67 ILE QD1 47 GLU HG+ 5.50 (# 1446:20 Unique 2.68, 5.03 A)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1053,1054,1055,
igr2= 713, 714,
&end
#
# 50 MET ME 47 GLU HG+ 5.50 (# 1447:20 Unique 2.55, 4.64 A)
&rst
ixpk= 1447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 759, 760, 761,
igr2= 713, 714,
&end
#
# 50 MET ME 47 GLU HG- 5.50 (# 1448:20 Unique 2.55, 4.64 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 759, 760, 761,
igr2= 713, 714,
&end
#
# 0 AMB 20-2:1449 0 AMB 20-1:1449 4.50 (# 1449:20 Double Ambig)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1688,1689,1690,1692,1693,1694,1006,1007,1008,1010,
1011,1012,1053,1054,1055,
igr2=1004, 713, 714,
&end
#
# 0 AMB 20-2:1450 48 GLN HA 5.50 (# 1450:20 Single Ambig)
&rst
ixpk= 1450, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 706, 685,
&end
#
# 49 ALA HN 48 GLN HA 5.50 (# 1451:20 Unique 3.43, 3.51 A)
&rst
ixpk= 1451, nxpk= 20, iat= 738, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1452 48 GLN HA 5.50 (# 1452:20 Single Ambig)
&rst
ixpk= 1452, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 765, 786,
&end
#
# 48 GLN HN 48 GLN HA 5.50 (# 1453:20 Unique 2.74, 2.80 A)
&rst
ixpk= 1453, nxpk= 20, iat= 721, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HD 48 GLN HA 5.50 (# 1454:20 Unique 2.20, 4.61 A)
&rst
ixpk= 1454, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 773, 782,
&end
#
# 48 GLN HE2- 48 GLN HA 5.50 (# 1455:20 Unique 4.14, 4.87 A)
&rst
ixpk= 1455, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 51 TYR HE 48 GLN HA 5.50 (# 1456:20 Unique 2.89, 5.21 A)
&rst
ixpk= 1456, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 775, 780,
&end
#
# 51 TYR HB+ 48 GLN HA 5.50 (# 1457:20 Unique 3.80, 5.04 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 769, 770,
&end
#
# 51 TYR HB- 48 GLN HA 5.50 (# 1458:20 Unique 3.80, 5.04 A)
&rst
ixpk= 1458, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 769, 770,
&end
#
# 0 AMB 20-2:1459 48 GLN HA 4.50 (# 1459:20 Single Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 728, 729, 728, 729,
&end
#
# 48 GLN HB+ 48 GLN HA 4.50 (# 1460:20 Unique 2.41, 2.75 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 725, 726,
&end
#
# 48 GLN HB- 48 GLN HA 3.50 (# 1462:20 Unique 2.41, 2.75 A)
&rst
ixpk= 1462, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 725, 726,
&end
#
# 113 MET HN 114 GLN HB+ 5.50 (# 1464:20 Unique 3.95, 5.56 A)
&rst
ixpk= 1464, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1859,1860,
&end
#
# 0 AMB 20-2:1465 0 AMB 20-1:1465 5.50 (# 1465:20 Double Ambig)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 685, 706,
igr2= 725, 726, 725, 726,
&end
#
# 49 ALA HN 48 GLN HB+ 5.50 (# 1466:20 Unique 2.30, 3.20 A)
&rst
ixpk= 1466, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 725, 726,
&end
#
# 114 GLN HN 114 GLN HB+ 5.50 (# 1467:20 Unique 2.24, 3.21 A)
&rst
ixpk= 1467, nxpk= 20, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1859,1860,
&end
#
# 0 AMB 20-2:1468 0 AMB 20-1:1468 5.50 (# 1468:20 Double Ambig)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1872,1908,
igr2=1859,1860,1859,1860,
&end
#
# 48 GLN HN 48 GLN HB+ 5.50 (# 1469:20 Unique 2.30, 3.07 A)
&rst
ixpk= 1469, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 725, 726,
&end
#
# 114 GLN HE2+ 114 GLN HB+ 5.50 (# 1470:20 Unique 1.92, 3.74 A)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1867,1868,
igr2=1859,1860,
&end
#
# 114 GLN HA 114 GLN HB+ 4.50 (# 1471:20 Unique 2.23, 2.70 A)
&rst
ixpk= 1471, nxpk= 20, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1859,1860,
&end
#
# 0 AMB 20-2:1472 0 AMB 20-1:1472 5.50 (# 1472:20 Double Ambig)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 723, 689, 690,
igr2= 725, 726, 725, 726,
&end
#
# 0 AMB 20-2:1473 0 AMB 20-1:1473 3.50 (# 1473:20 Double Ambig)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 728, 729, 728, 729,
igr2= 725, 726, 725, 726,
&end
#
# 0 AMB 20-2:1475 0 AMB 20-1:1475 5.50 (# 1475:20 Double Ambig)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1926,1927, 742, 743, 744,
igr2=1859,1860, 725, 726,
&end
#
# 0 AMB 20-2:1476 48 GLN HB- 5.50 (# 1476:20 Single Ambig)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 685, 706,
igr2= 725, 726,
&end
#
# 49 ALA HN 48 GLN HB- 5.50 (# 1477:20 Unique 2.30, 3.20 A)
&rst
ixpk= 1477, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 725, 726,
&end
#
# 48 GLN HN 48 GLN HB- 5.50 (# 1478:20 Unique 2.30, 3.07 A)
&rst
ixpk= 1478, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:1479 48 GLN HB- 5.50 (# 1479:20 Single Ambig)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 723, 689, 690,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:1480 48 GLN HB- 3.50 (# 1480:20 Single Ambig)
&rst
ixpk= 1480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 728, 729, 728, 729,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:1481 0 AMB 20-1:1481 5.50 (# 1481:20 Double Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1=2565,2566,2567,2569,2570,2571, 622, 623, 624,1724,
1725,1726,1728,1729,1730,
igr2= 286, 287, 725, 726, 286, 287,
&end
#
# 0 AMB 20-2:1482 0 AMB 20-1:1482 5.50 (# 1482:20 Double Ambig)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 622, 623, 624, 162, 163, 164, 166, 167, 168,
igr2= 725, 726, 725, 726,
&end
#
# 0 AMB 20-2:1483 0 AMB 20-1:1483 5.50 (# 1483:20 Double Ambig)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 706, 685,
igr2= 728, 729, 728, 729, 728, 729,
&end
#
# 49 ALA HN 0 AMB 20-1:1484 5.50 (# 1484:20 Single Ambig)
&rst
ixpk= 1484, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 728, 729, 728, 729,
&end
#
# 48 GLN HN 0 AMB 20-1:1485 4.50 (# 1485:20 Single Ambig)
&rst
ixpk= 1485, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 728, 729, 728, 729,
&end
#
# 0 AMB 20-2:1486 0 AMB 20-1:1486 4.50 (# 1486:20 Double Ambig)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 733, 734, 733, 734,
igr2= 728, 729, 728, 729,
&end
#
# 48 GLN HE2- 0 AMB 20-1:1487 4.50 (# 1487:20 Single Ambig)
&rst
ixpk= 1487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 733, 734,
igr2= 728, 729, 728, 729,
&end
#
# 45 SER HA 0 AMB 20-1:1488 5.50 (# 1488:20 Single Ambig)
&rst
ixpk= 1488, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 728, 729, 728, 729,
&end
#
# 48 GLN HA 0 AMB 20-1:1489 4.50 (# 1489:20 Single Ambig)
&rst
ixpk= 1489, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 728, 729, 728, 729,
&end
#
# 48 GLN HB- 0 AMB 20-1:1490 3.50 (# 1490:20 Single Ambig)
&rst
ixpk= 1490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 725, 726,
igr2= 728, 729, 728, 729,
&end
#
# 0 AMB 20-2:1491 0 AMB 20-1:1491 5.50 (# 1491:20 Double Ambig)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1= 742, 743, 744, 700, 701, 702, 755, 756,
igr2= 728, 729, 728, 729, 728, 729, 728, 729,
&end
#
# 125 ARG HN 125 ARG HA 5.50 (# 1492:20 Unique 2.83, 2.88 A)
&rst
ixpk= 1492, nxpk= 20, iat=2014,2016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ARG HE 49 ALA HA 5.50 (# 1493:20 Unique 1.97, 2.39 A)
&rst
ixpk= 1493, nxpk= 20, iat= 799, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ALA HN 49 ALA HA 5.50 (# 1494:20 Unique 2.75, 2.85 A)
&rst
ixpk= 1494, nxpk= 20, iat= 738, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1495 0 AMB 20-1:1495 5.50 (# 1495:20 Double Ambig)
&rst
ixpk= 1495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 748,1990,
igr2= 740,2016,
&end
#
# 126 TRP HN 125 ARG HA 4.50 (# 1496:20 Unique 2.16, 2.30 A)
&rst
ixpk= 1496, nxpk= 20, iat=2038,2016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1497 49 ALA HA 5.50 (# 1497:20 Single Ambig)
&rst
ixpk= 1497, nxpk= 20, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 786, 765,
&end
#
# 0 AMB 20-2:1498 0 AMB 20-1:1498 5.50 (# 1498:20 Double Ambig)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 721, 390, 380,
igr2= 740,2016,
&end
#
# 50 MET HA 49 ALA HA 5.50 (# 1502:20 Unique 4.73, 4.83 A)
&rst
ixpk= 1502, nxpk= 20, iat= 750, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ARG HD- 49 ALA HA 5.50 (# 1503:20 Unique 3.01, 4.66 A)
&rst
ixpk= 1503, nxpk= 20, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 796, 797,
&end
#
# 0 AMB 20-2:1505 49 ALA HA 5.50 (# 1505:20 Single Ambig)
&rst
ixpk= 1505, nxpk= 20, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 677, 678, 674, 675,
&end
#
# 52 ARG HB+ 49 ALA HA 5.50 (# 1506:20 Unique 1.84, 2.83 A)
&rst
ixpk= 1506, nxpk= 20, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 790, 791,
&end
#
# 49 ALA MB 49 ALA HA 3.50 (# 1507:20 Unique 2.28, 2.63 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 742, 743, 744,
&end
#
# 125 ARG HB- 125 ARG HA 4.50 (# 1508:20 Unique 2.24, 2.64 A)
&rst
ixpk= 1508, nxpk= 20, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2018,2019,
&end
#
# 125 ARG HB+ 125 ARG HA 4.50 (# 1509:20 Unique 2.24, 2.64 A)
&rst
ixpk= 1509, nxpk= 20, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2018,2019,
&end
#
# 125 ARG HG- 125 ARG HA 5.50 (# 1510:20 Unique 2.10, 3.24 A)
&rst
ixpk= 1510, nxpk= 20, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2021,2022,
&end
#
# 0 AMB 20-2:1511 49 ALA HA 5.50 (# 1511:20 Single Ambig)
&rst
ixpk= 1511, nxpk= 20, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 162, 163, 164, 166, 167, 168, 622, 623, 624,
&end
#
# 11 VAL MGX 49 ALA HA 5.50 (# 1512:20 Unique 3.87, 5.44 A)
&rst
ixpk= 1512, nxpk= 20, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 41 ASN HN 49 ALA MB 5.50 (# 1513:20 Unique 2.12, 3.29 A)
&rst
ixpk= 1513, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 46 ALA HN 49 ALA MB 5.50 (# 1514:20 Unique 4.39, 5.70 A)
&rst
ixpk= 1514, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 45 SER HN 49 ALA MB 5.50 (# 1516:20 Unique 2.61, 5.32 A)
&rst
ixpk= 1516, nxpk= 20, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 50 MET HN 49 ALA MB 4.50 (# 1517:20 Unique 2.83, 3.75 A)
&rst
ixpk= 1517, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 742, 743, 744,
&end
#
# 49 ALA HN 49 ALA MB 3.50 (# 1518:20 Unique 2.21, 2.91 A)
&rst
ixpk= 1518, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 742, 743, 744,
&end
#
# 0 AMB 20-2:1519 49 ALA MB 5.50 (# 1519:20 Single Ambig)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 786, 765,
igr2= 742, 743, 744,
&end
#
# 48 GLN HN 49 ALA MB 5.50 (# 1520:20 Unique 4.41, 5.44 A)
&rst
ixpk= 1520, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 0 AMB 20-2:1521 49 ALA MB 5.50 (# 1521:20 Single Ambig)
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 644, 645, 733, 734,
igr2= 742, 743, 744,
&end
#
# 40 ILE HN 49 ALA MB 5.50 (# 1522:20 Unique 3.85, 5.23 A)
&rst
ixpk= 1522, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 74 TRP HH2 49 ALA MB 5.50 (# 1523:20 Unique 4.22, 5.70 A)
&rst
ixpk= 1523, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 10 ASN HA 49 ALA MB 5.50 (# 1526:20 Unique 4.29, 6.02 A)
&rst
ixpk= 1526, nxpk= 20, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 44 GLU HA 49 ALA MB 5.50 (# 1527:20 Unique 4.48, 6.17 A)
&rst
ixpk= 1527, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 49 ALA HA 49 ALA MB 2.80 (# 1528:20 Unique 2.28, 2.63 A)
&rst
ixpk= 1528, nxpk= 20, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 742, 743, 744,
&end
#
# 50 MET HA 49 ALA MB 5.50 (# 1529:20 Unique 4.01, 4.89 A)
&rst
ixpk= 1529, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 44 GLU HG+ 49 ALA MB 5.50 (# 1530:20 Unique 1.95, 3.83 A)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 677, 678,
igr2= 742, 743, 744,
&end
#
# 0 AMB 20-2:1531 49 ALA MB 4.50 (# 1531:20 Single Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 677, 678, 674, 675, 674, 675,
igr2= 742, 743, 744,
&end
#
# 0 AMB 20-2:1532 49 ALA MB 5.50 (# 1532:20 Single Ambig)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 752, 753, 814, 815, 816,
igr2= 742, 743, 744,
&end
#
# 0 AMB 20-2:1533 49 ALA MB 2.80 (# 1533:20 Single Ambig)
&rst
ixpk= 1533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 622, 623, 624, 162, 163, 164, 166, 167, 168,
igr2= 742, 743, 744,
&end
#
# 40 ILE HG1+ 49 ALA MB 4.50 (# 1534:20 Unique 1.98, 3.73 A)
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 626, 627,
igr2= 742, 743, 744,
&end
#
# 11 VAL MGX 49 ALA MB 4.50 (# 1535:20 Unique 2.02, 4.57 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 742, 743, 744,
&end
#
# 50 MET HN 50 MET HA 5.50 (# 1536:20 Unique 2.77, 2.80 A)
&rst
ixpk= 1536, nxpk= 20, iat= 748, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1537 50 MET HA 5.50 (# 1537:20 Single Ambig)
&rst
ixpk= 1537, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 765, 786,
&end
#
# 51 TYR HD 50 MET HA 5.50 (# 1538:20 Unique 4.47, 6.07 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 773, 782,
&end
#
# 11 VAL HB 50 MET HA 5.50 (# 1539:20 Unique 1.93, 2.09 A)
&rst
ixpk= 1539, nxpk= 20, iat= 160, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1540 50 MET HA 4.50 (# 1540:20 Single Ambig)
&rst
ixpk= 1540, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 755, 756, 752, 753,
&end
#
# 50 MET HG- 50 MET HA 4.50 (# 1541:20 Unique 2.06, 2.87 A)
&rst
ixpk= 1541, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 755, 756,
&end
#
# 50 MET HB- 50 MET HA 4.50 (# 1542:20 Unique 2.35, 2.74 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 752, 753,
&end
#
# 11 VAL MGY 50 MET HA 5.50 (# 1543:20 Unique 1.96, 3.17 A)
&rst
ixpk= 1543, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGX 50 MET HA 3.50 (# 1544:20 Unique 1.96, 3.17 A)
&rst
ixpk= 1544, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:1545 50 MET HA 5.50 (# 1545:20 Single Ambig)
&rst
ixpk= 1545, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1604,1605, 829, 830, 831, 833, 834, 835, 185, 186,
187,
&end
#
# 47 GLU HA 50 MET HA 5.50 (# 1546:20 Unique 4.86, 5.21 A)
&rst
ixpk= 1546, nxpk= 20, iat= 708, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 MET HN 50 MET HB- 5.50 (# 1547:20 Unique 2.09, 2.55 A)
&rst
ixpk= 1547, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 752, 753,
&end
#
# 50 MET HN 50 MET HB+ 5.50 (# 1548:20 Unique 2.09, 2.55 A)
&rst
ixpk= 1548, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 752, 753,
&end
#
# 50 MET HA 50 MET HB- 5.50 (# 1550:20 Unique 2.35, 2.74 A)
&rst
ixpk= 1550, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 752, 753,
&end
#
# 50 MET ME 50 MET HB+ 5.50 (# 1551:20 Unique 1.89, 3.38 A)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 759, 760, 761,
igr2= 752, 753,
&end
#
# 0 AMB 20-2:1552 50 MET HB- 4.50 (# 1552:20 Single Ambig)
&rst
ixpk= 1552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 162, 163, 164, 166, 167, 168, 192, 193, 194,
igr2= 752, 753,
&end
#
# 50 MET HN 50 MET HG- 5.50 (# 1553:20 Unique 3.06, 4.43 A)
&rst
ixpk= 1553, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 755, 756,
&end
#
# 50 MET HN 50 MET HG+ 5.50 (# 1554:20 Unique 3.06, 4.43 A)
&rst
ixpk= 1554, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 755, 756,
&end
#
# 51 TYR HD 50 MET HG+ 5.50 (# 1555:20 Unique 4.14, 5.98 A)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 773, 782,
igr2= 755, 756,
&end
#
# 51 TYR HD 50 MET HG- 5.50 (# 1556:20 Unique 4.14, 5.98 A)
&rst
ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 773, 782,
igr2= 755, 756,
&end
#
# 50 MET HA 50 MET HG+ 5.50 (# 1557:20 Unique 2.06, 2.87 A)
&rst
ixpk= 1557, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 755, 756,
&end
#
# 50 MET HA 50 MET HG- 5.50 (# 1558:20 Unique 2.06, 2.87 A)
&rst
ixpk= 1558, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 755, 756,
&end
#
# 0 AMB 20-2:1559 0 AMB 20-1:1559 5.50 (# 1559:20 Double Ambig)
&rst
ixpk= 1559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 752, 753, 189, 190,
igr2= 755, 756, 755, 756,
&end
#
# 0 AMB 20-2:1560 50 MET HG- 5.50 (# 1560:20 Single Ambig)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 752, 753, 189, 190,
igr2= 755, 756,
&end
#
# 0 AMB 20-2:1561 0 AMB 20-1:1561 4.50 (# 1561:20 Double Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 829, 830, 831, 833, 834, 835,1604,1605,
igr2= 755, 756, 755, 756,
&end
#
# 0 AMB 20-2:1562 50 MET HG- 5.50 (# 1562:20 Single Ambig)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 829, 830, 831, 833, 834, 835, 829, 830, 831, 833,
834, 835, 185, 186, 187,
igr2= 755, 756,
&end
#
# 0 AMB 20-2:1563 0 AMB 20-1:1563 4.50 (# 1563:20 Double Ambig)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 192, 193, 194, 162, 163, 164, 166, 167, 168,
igr2= 755, 756, 755, 756,
&end
#
# 0 AMB 20-2:1564 50 MET HG- 4.50 (# 1564:20 Single Ambig)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 192, 193, 194, 759, 760, 761, 162, 163, 164, 166,
167, 168,
igr2= 755, 756,
&end
#
# 0 AMB 20-2:1565 50 MET HG- 5.50 (# 1565:20 Single Ambig)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1644,1645,1644,1645,
igr2= 755, 756,
&end
#
# 0 AMB 20-2:1566 0 AMB 20-1:1566 5.50 (# 1566:20 Double Ambig)
&rst
ixpk= 1566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1644,1645,1644,1645,
igr2= 755, 756, 755, 756,
&end
#
# 50 MET HN 50 MET ME 4.50 (# 1568:20 Unique 3.77, 5.32 A)
&rst
ixpk= 1568, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 759, 760, 761,
&end
#
# 51 TYR HN 50 MET ME 4.50 (# 1569:20 Unique 3.88, 5.59 A)
&rst
ixpk= 1569, nxpk= 20, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 759, 760, 761,
&end
#
# 51 TYR HD 50 MET ME 4.50 (# 1570:20 Unique 3.69, 5.72 A)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 773, 782,
igr2= 759, 760, 761,
&end
#
# 51 TYR HE 50 MET ME 4.50 (# 1571:20 Unique 2.50, 4.48 A)
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 775, 780,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:1574 50 MET ME 5.50 (# 1574:20 Single Ambig)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1042, 767,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:1575 50 MET ME 5.50 (# 1575:20 Single Ambig)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1092,1093, 750,
igr2= 759, 760, 761,
&end
#
# 47 GLU HA 50 MET ME 4.50 (# 1576:20 Unique 1.85, 3.61 A)
&rst
ixpk= 1576, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:1578 50 MET ME 4.50 (# 1578:20 Single Ambig)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1644,1645,1644,1645,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:1579 50 MET ME 4.50 (# 1579:20 Single Ambig)
&rst
ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 713, 714, 710, 711,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:1580 50 MET ME 4.50 (# 1580:20 Single Ambig)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 713, 714,1607,1608,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:1581 50 MET ME 4.50 (# 1581:20 Single Ambig)
&rst
ixpk= 1581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 710, 711,1044,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:1582 50 MET ME 2.80 (# 1582:20 Single Ambig)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 752, 753,1050,1051,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:1583 50 MET ME 5.50 (# 1583:20 Single Ambig)
&rst
ixpk= 1583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 824, 825,1023,1024, 183,
igr2= 759, 760, 761,
&end
#
# 50 MET HB- 50 MET ME 3.50 (# 1585:20 Unique 1.89, 3.38 A)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 752, 753,
igr2= 759, 760, 761,
&end
#
# 67 ILE QG2 50 MET ME 3.50 (# 1586:20 Unique 2.59, 4.83 A)
&rst
ixpk= 1586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1046,1047,1048,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:1589 67 ILE HA 5.50 (# 1589:20 Single Ambig)
&rst
ixpk= 1589, nxpk= 20, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1040,1698,
&end
#
# 68 LEU HN 67 ILE HA 4.50 (# 1590:20 Unique 2.14, 2.17 A)
&rst
ixpk= 1590, nxpk= 20, iat=1059,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LEU HN 51 TYR HA 5.50 (# 1591:20 Unique 2.64, 2.74 A)
&rst
ixpk= 1591, nxpk= 20, iat= 820, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1592 51 TYR HA 5.50 (# 1592:20 Single Ambig)
&rst
ixpk= 1592, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 765, 786,
&end
#
# 55 PHE HN 51 TYR HA 5.50 (# 1593:20 Unique 3.83, 4.48 A)
&rst
ixpk= 1593, nxpk= 20, iat= 839, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1594 0 AMB 20-1:1594 4.50 (# 1594:20 Double Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 773, 782,1029,
igr2= 767,1042,
&end
#
# 51 TYR HE 0 AMB 20-1:1595 5.50 (# 1595:20 Single Ambig)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 775, 780,
igr2= 767,1042,
&end
#
# 102 LEU HA 67 ILE HA 5.50 (# 1596:20 Unique 2.48, 2.75 A)
&rst
ixpk= 1596, nxpk= 20, iat=1681,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HB- 51 TYR HA 5.50 (# 1597:20 Unique 2.36, 2.70 A)
&rst
ixpk= 1597, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 769, 770,
&end
#
# 51 TYR HB+ 51 TYR HA 5.50 (# 1598:20 Unique 2.36, 2.70 A)
&rst
ixpk= 1598, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 769, 770,
&end
#
# 54 LEU HB+ 51 TYR HA 5.50 (# 1599:20 Unique 1.69, 2.42 A)
&rst
ixpk= 1599, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 824, 825,
&end
#
# 54 LEU HB- 51 TYR HA 4.50 (# 1600:20 Unique 1.69, 2.42 A)
&rst
ixpk= 1600, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 824, 825,
&end
#
# 0 AMB 20-2:1601 0 AMB 20-1:1601 5.50 (# 1601:20 Double Ambig)
&rst
ixpk= 1601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1063,1064, 946, 947,1082,1083,1084,
igr2=1042, 767,
&end
#
# 0 AMB 20-2:1602 0 AMB 20-1:1602 5.50 (# 1602:20 Double Ambig)
&rst
ixpk= 1602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1683,1684, 189, 190, 752, 753, 949, 950,
igr2=1042, 767,
&end
#
# 67 ILE HB 67 ILE HA 5.50 (# 1603:20 Unique 2.95, 3.01 A)
&rst
ixpk= 1603, nxpk= 20, iat=1044,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1604 0 AMB 20-1:1604 3.50 (# 1604:20 Double Ambig)
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1688,1689,1690,1692,1693,1694, 829, 830, 831, 833,
834, 835,
igr2=1042, 767,
&end
#
# 67 ILE QG2 67 ILE HA 4.50 (# 1605:20 Unique 2.10, 2.98 A)
&rst
ixpk= 1605, nxpk= 20, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1046,1047,1048,
&end
#
# 13 ILE QD1 51 TYR HA 4.50 (# 1606:20 Unique 2.32, 3.77 A)
&rst
ixpk= 1606, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 192, 193, 194,
&end
#
# 0 AMB 20-2:1607 0 AMB 20-1:1607 5.50 (# 1607:20 Double Ambig)
&rst
ixpk= 1607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 765, 786,
igr2= 769, 770, 769, 770,
&end
#
# 0 AMB 20-2:1608 51 TYR HB- 5.50 (# 1608:20 Single Ambig)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 765, 786,
igr2= 769, 770,
&end
#
# 0 AMB 20-2:1609 0 AMB 20-1:1609 5.50 (# 1609:20 Double Ambig)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 773, 782, 847, 855,
igr2= 769, 770, 769, 770,
&end
#
# 0 AMB 20-2:1610 51 TYR HB- 5.50 (# 1610:20 Single Ambig)
&rst
ixpk= 1610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 773, 782, 847, 855,
igr2= 769, 770,
&end
#
# 51 TYR HE 51 TYR HB+ 5.50 (# 1611:20 Unique 4.61, 5.05 A)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 775, 780,
igr2= 769, 770,
&end
#
# 51 TYR HE 51 TYR HB- 5.50 (# 1612:20 Unique 4.61, 5.05 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 775, 780,
igr2= 769, 770,
&end
#
# 51 TYR HA 51 TYR HB+ 5.50 (# 1613:20 Unique 2.36, 2.70 A)
&rst
ixpk= 1613, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 769, 770,
&end
#
# 51 TYR HA 51 TYR HB- 5.50 (# 1614:20 Unique 2.36, 2.70 A)
&rst
ixpk= 1614, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 769, 770,
&end
#
# 84 VAL MGX 93 ILE HA 5.50 (# 1615:20 Unique 2.26, 4.22 A)
&rst
ixpk= 1615, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:1616 93 ILE HA 5.50 (# 1616:20 Single Ambig)
&rst
ixpk= 1616, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1522,1523,1525,1526,1527,
&end
#
# 84 VAL MGY 93 ILE HA 4.50 (# 1617:20 Unique 2.26, 4.22 A)
&rst
ixpk= 1617, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 93 ILE QG2 93 ILE HA 3.50 (# 1618:20 Unique 2.19, 3.12 A)
&rst
ixpk= 1618, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1518,1519,1520,
&end
#
# 0 AMB 20-2:1619 0 AMB 20-1:1619 5.50 (# 1619:20 Double Ambig)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1491,1492,1493,1495,1496,1497,1914,1915,1916,
igr2=1514,1899,
&end
#
# 79 LEU HB+ 93 ILE HA 5.50 (# 1620:20 Unique 2.66, 5.40 A)
&rst
ixpk= 1620, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1265,1266,
&end
#
# 52 ARG HG- 52 ARG HA 4.50 (# 1621:20 Unique 2.27, 3.24 A)
&rst
ixpk= 1621, nxpk= 20, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 793, 794,
&end
#
# 93 ILE HB 93 ILE HA 3.50 (# 1622:20 Unique 2.30, 2.42 A)
&rst
ixpk= 1622, nxpk= 20, iat=1516,1514, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 ARG HB+ 52 ARG HA 4.50 (# 1623:20 Unique 2.56, 2.81 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 790, 791,
&end
#
# 0 AMB 20-2:1624 0 AMB 20-1:1624 5.50 (# 1624:20 Double Ambig)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 769, 770,1505,1506, 866, 867, 952, 953,
igr2= 788,1514,
&end
#
# 119 PRO HD- 117 SER HA 5.50 (# 1625:20 Unique 3.61, 4.44 A)
&rst
ixpk= 1625, nxpk= 20, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1923,1924,
&end
#
# 52 ARG HD- 52 ARG HA 5.50 (# 1626:20 Unique 1.96, 2.96 A)
&rst
ixpk= 1626, nxpk= 20, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 796, 797,
&end
#
# 119 PRO HD+ 117 SER HA 5.50 (# 1627:20 Unique 3.61, 4.44 A)
&rst
ixpk= 1627, nxpk= 20, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1923,1924,
&end
#
# 52 ARG HD+ 52 ARG HA 5.50 (# 1628:20 Unique 1.96, 2.96 A)
&rst
ixpk= 1628, nxpk= 20, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 796, 797,
&end
#
# 0 AMB 20-2:1629 0 AMB 20-1:1629 5.50 (# 1629:20 Double Ambig)
&rst
ixpk= 1629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1857,1241,
igr2=1899,1514,
&end
#
# 55 PHE HD 52 ARG HA 5.50 (# 1630:20 Unique 2.98, 5.11 A)
&rst
ixpk= 1630, nxpk= 20, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 847, 855,
&end
#
# 94 GLY HN 93 ILE HA 5.50 (# 1631:20 Unique 2.91, 3.18 A)
&rst
ixpk= 1631, nxpk= 20, iat=1531,1514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ARG HN 52 ARG HA 5.50 (# 1632:20 Unique 2.70, 2.74 A)
&rst
ixpk= 1632, nxpk= 20, iat= 786, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 THR HN 117 SER HA 5.50 (# 1633:20 Unique 3.57, 3.57 A)
&rst
ixpk= 1633, nxpk= 20, iat=1908,1899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ALA HN 52 ARG HA 5.50 (# 1634:20 Unique 3.48, 3.52 A)
&rst
ixpk= 1634, nxpk= 20, iat= 810, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 SER HN 117 SER HA 4.50 (# 1635:20 Unique 2.29, 2.29 A)
&rst
ixpk= 1635, nxpk= 20, iat=1897,1899, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 ILE HN 93 ILE HA 5.50 (# 1636:20 Unique 2.81, 2.91 A)
&rst
ixpk= 1636, nxpk= 20, iat=1512,1514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1637 0 AMB 20-1:1637 4.50 (# 1637:20 Double Ambig)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 786,2639,
igr2= 790, 791,2626,2627,
&end
#
# 0 AMB 20-2:1638 0 AMB 20-1:1638 4.50 (# 1638:20 Double Ambig)
&rst
ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 786, 258,
igr2= 790, 791, 262, 263,
&end
#
# 52 ARG HN 52 ARG HG+ 5.50 (# 1639:20 Unique 4.31, 4.54 A)
&rst
ixpk= 1639, nxpk= 20, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 793, 794,
&end
#
# 116 SER HN 119 PRO HG- 5.50 (# 1640:20 Unique 2.54, 4.10 A)
&rst
ixpk= 1640, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1926,1927,
&end
#
# 52 ARG HA 52 ARG HG+ 5.50 (# 1641:20 Unique 2.27, 3.24 A)
&rst
ixpk= 1641, nxpk= 20, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 793, 794,
&end
#
# 52 ARG HA 52 ARG HG- 5.50 (# 1642:20 Unique 2.27, 3.24 A)
&rst
ixpk= 1642, nxpk= 20, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 793, 794,
&end
#
# 52 ARG HD+ 52 ARG HG- 5.50 (# 1643:20 Unique 2.30, 2.56 A)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 796, 797,
igr2= 793, 794,
&end
#
# 0 AMB 20-2:1644 0 AMB 20-1:1644 5.50 (# 1644:20 Double Ambig)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355, 34, 35, 36,
igr2=1323,1324,1323,1324, 111, 112,
&end
#
# 79 LEU MDX 8 ARG HG- 5.50 (# 1645:20 Unique 4.33, 8.06 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2= 111, 112,
&end
#
# 52 ARG HE 52 ARG HD+ 5.50 (# 1646:20 Unique 2.30, 2.78 A)
&rst
ixpk= 1646, nxpk= 20, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 796, 797,
&end
#
# 52 ARG HE 52 ARG HD- 5.50 (# 1647:20 Unique 2.30, 2.78 A)
&rst
ixpk= 1647, nxpk= 20, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 796, 797,
&end
#
# 62 ARG HE 52 ARG HD- 5.50 (# 1649:20 Unique 6.01, 7.30 A)
&rst
ixpk= 1649, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 796, 797,
&end
#
# 52 ARG HA 52 ARG HD+ 5.50 (# 1650:20 Unique 1.96, 2.96 A)
&rst
ixpk= 1650, nxpk= 20, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 796, 797,
&end
#
# 52 ARG HA 52 ARG HD- 5.50 (# 1651:20 Unique 1.96, 2.96 A)
&rst
ixpk= 1651, nxpk= 20, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 796, 797,
&end
#
# 52 ARG HB+ 52 ARG HD+ 5.50 (# 1652:20 Unique 2.47, 3.70 A)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 790, 791,
igr2= 796, 797,
&end
#
# 52 ARG HB+ 52 ARG HD- 5.50 (# 1653:20 Unique 2.47, 3.70 A)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 790, 791,
igr2= 796, 797,
&end
#
# 52 ARG HB- 52 ARG HD+ 5.50 (# 1654:20 Unique 2.47, 3.70 A)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 790, 791,
igr2= 796, 797,
&end
#
# 52 ARG HG- 52 ARG HD+ 5.50 (# 1655:20 Unique 2.30, 2.56 A)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 793, 794,
igr2= 796, 797,
&end
#
# 0 AMB 20-2:1656 0 AMB 20-1:1656 5.50 (# 1656:20 Double Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 418, 419,1943,1944,
igr2= 424, 425, 424, 425,
&end
#
# 54 LEU HN 53 ALA HA 5.50 (# 1658:20 Unique 3.32, 3.39 A)
&rst
ixpk= 1658, nxpk= 20, iat= 820, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ALA HN 53 ALA HA 5.50 (# 1659:20 Unique 2.85, 2.92 A)
&rst
ixpk= 1659, nxpk= 20, iat= 810, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLU HG+ 53 ALA HA 5.50 (# 1661:20 Unique 1.97, 3.48 A)
&rst
ixpk= 1661, nxpk= 20, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 866, 867,
&end
#
# 57 GLU HG+ 53 ALA HA 5.50 (# 1662:20 Unique 3.78, 4.85 A)
&rst
ixpk= 1662, nxpk= 20, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 881, 882,
&end
#
# 56 GLU HG- 53 ALA HA 5.50 (# 1663:20 Unique 1.97, 3.48 A)
&rst
ixpk= 1663, nxpk= 20, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 866, 867,
&end
#
# 56 GLU HB- 53 ALA HA 5.50 (# 1664:20 Unique 2.03, 3.40 A)
&rst
ixpk= 1664, nxpk= 20, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 863, 864,
&end
#
# 53 ALA MB 53 ALA HA 3.50 (# 1666:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 814, 815, 816,
&end
#
# 0 AMB 20-2:1667 53 ALA HA 5.50 (# 1667:20 Single Ambig)
&rst
ixpk= 1667, nxpk= 20, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 189, 190, 192, 193, 194, 162, 163, 164, 166, 167,
168,
&end
#
# 11 VAL HN 53 ALA MB 5.50 (# 1668:20 Unique 4.64, 5.86 A)
&rst
ixpk= 1668, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 814, 815, 816,
&end
#
# 38 GLY HN 53 ALA MB 5.50 (# 1669:20 Unique 3.68, 4.69 A)
&rst
ixpk= 1669, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 814, 815, 816,
&end
#
# 54 LEU HN 53 ALA MB 4.50 (# 1670:20 Unique 3.14, 3.87 A)
&rst
ixpk= 1670, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 814, 815, 816,
&end
#
# 57 GLU HN 53 ALA MB 5.50 (# 1671:20 Unique 4.33, 5.49 A)
&rst
ixpk= 1671, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 814, 815, 816,
&end
#
# 39 GLY HN 53 ALA MB 5.50 (# 1672:20 Unique 3.80, 5.21 A)
&rst
ixpk= 1672, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 814, 815, 816,
&end
#
# 53 ALA HN 53 ALA MB 3.50 (# 1673:20 Unique 2.08, 2.99 A)
&rst
ixpk= 1673, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 814, 815, 816,
&end
#
# 0 AMB 20-2:1674 53 ALA MB 5.50 (# 1674:20 Single Ambig)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 786, 765,
igr2= 814, 815, 816,
&end
#
# 0 AMB 20-2:1675 53 ALA MB 5.50 (# 1675:20 Single Ambig)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 179, 839,
igr2= 814, 815, 816,
&end
#
# 38 GLY HA+ 53 ALA MB 5.50 (# 1676:20 Unique 1.99, 3.00 A)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 604, 605,
igr2= 814, 815, 816,
&end
#
# 53 ALA HA 53 ALA MB 3.50 (# 1677:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1677, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 814, 815, 816,
&end
#
# 38 GLY HA- 53 ALA MB 4.50 (# 1678:20 Unique 1.99, 3.00 A)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 604, 605,
igr2= 814, 815, 816,
&end
#
# 54 LEU HA 53 ALA MB 5.50 (# 1679:20 Unique 3.93, 4.95 A)
&rst
ixpk= 1679, nxpk= 20, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 814, 815, 816,
&end
#
# 0 AMB 20-2:1680 53 ALA MB 5.50 (# 1680:20 Single Ambig)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 750, 843, 844,
igr2= 814, 815, 816,
&end
#
# 0 AMB 20-2:1681 53 ALA MB 5.50 (# 1681:20 Single Ambig)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 863, 864, 878, 879,
igr2= 814, 815, 816,
&end
#
# 0 AMB 20-2:1682 53 ALA MB 5.50 (# 1682:20 Single Ambig)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 863, 864, 790, 791,
igr2= 814, 815, 816,
&end
#
# 0 AMB 20-2:1683 53 ALA MB 4.50 (# 1683:20 Single Ambig)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1943,1944, 793, 794, 755, 756,
igr2= 814, 815, 816,
&end
#
# 0 AMB 20-2:1684 53 ALA MB 3.50 (# 1684:20 Single Ambig)
&rst
ixpk= 1684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 189, 190, 162, 163, 164, 166, 167, 168,
igr2= 814, 815, 816,
&end
#
# 0 AMB 20-2:1685 53 ALA MB 5.50 (# 1685:20 Single Ambig)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1= 185, 186, 187, 829, 830, 831, 833, 834, 835, 174,
175,
igr2= 814, 815, 816,
&end
#
# 54 LEU HN 54 LEU HA 5.50 (# 1686:20 Unique 2.72, 2.77 A)
&rst
ixpk= 1686, nxpk= 20, iat= 820, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HN 54 LEU HA 5.50 (# 1687:20 Unique 3.16, 3.51 A)
&rst
ixpk= 1687, nxpk= 20, iat= 874, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HN 54 LEU HA 5.50 (# 1688:20 Unique 3.47, 3.54 A)
&rst
ixpk= 1688, nxpk= 20, iat= 839, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL HN 54 LEU HA 5.50 (# 1689:20 Unique 3.39, 3.79 A)
&rst
ixpk= 1689, nxpk= 20, iat= 889, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HA 54 LEU HA 5.50 (# 1690:20 Unique 4.00, 4.17 A)
&rst
ixpk= 1690, nxpk= 20, iat= 767, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HB+ 54 LEU HA 5.50 (# 1691:20 Unique 1.96, 3.42 A)
&rst
ixpk= 1691, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 878, 879,
&end
#
# 54 LEU HB+ 54 LEU HA 5.50 (# 1692:20 Unique 2.26, 2.77 A)
&rst
ixpk= 1692, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 824, 825,
&end
#
# 0 AMB 20-2:1693 54 LEU HA 5.50 (# 1693:20 Single Ambig)
&rst
ixpk= 1693, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 827, 224, 225,
&end
#
# 54 LEU HB- 54 LEU HA 5.50 (# 1694:20 Unique 2.26, 2.77 A)
&rst
ixpk= 1694, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 824, 825,
&end
#
# 13 ILE HG1- 54 LEU HA 5.50 (# 1695:20 Unique 2.05, 3.70 A)
&rst
ixpk= 1695, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 189, 190,
&end
#
# 0 AMB 20-2:1696 54 LEU HA 3.50 (# 1696:20 Single Ambig)
&rst
ixpk= 1696, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 829, 830, 831, 833, 834, 835, 829, 830, 831, 833,
834, 835, 185, 186, 187,
&end
#
# 0 AMB 20-2:1697 54 LEU HA 5.50 (# 1697:20 Single Ambig)
&rst
ixpk= 1697, nxpk= 20, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 189, 190, 192, 193, 194,
&end
#
# 54 LEU HN 54 LEU HB+ 5.50 (# 1698:20 Unique 2.04, 2.55 A)
&rst
ixpk= 1698, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 824, 825,
&end
#
# 54 LEU HN 54 LEU HB- 5.50 (# 1699:20 Unique 2.04, 2.55 A)
&rst
ixpk= 1699, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 824, 825,
&end
#
# 55 PHE HN 54 LEU HB+ 5.50 (# 1700:20 Unique 1.96, 3.00 A)
&rst
ixpk= 1700, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 824, 825,
&end
#
# 55 PHE HN 54 LEU HB- 5.50 (# 1701:20 Unique 1.96, 3.00 A)
&rst
ixpk= 1701, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 824, 825,
&end
#
# 51 TYR HA 54 LEU HB+ 5.50 (# 1702:20 Unique 1.69, 2.42 A)
&rst
ixpk= 1702, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 824, 825,
&end
#
# 51 TYR HA 54 LEU HB- 5.50 (# 1703:20 Unique 1.69, 2.42 A)
&rst
ixpk= 1703, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 824, 825,
&end
#
# 54 LEU HA 54 LEU HB+ 5.50 (# 1704:20 Unique 2.26, 2.77 A)
&rst
ixpk= 1704, nxpk= 20, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 824, 825,
&end
#
# 54 LEU HA 54 LEU HB- 5.50 (# 1705:20 Unique 2.26, 2.77 A)
&rst
ixpk= 1705, nxpk= 20, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 824, 825,
&end
#
# 54 LEU HG 54 LEU HB+ 5.50 (# 1706:20 Unique 2.27, 2.55 A)
&rst
ixpk= 1706, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 824, 825,
&end
#
# 0 AMB 20-2:1707 0 AMB 20-1:1707 4.50 (# 1707:20 Double Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 829, 830, 831, 833, 834, 835, 185, 186, 187,
igr2= 824, 825, 824, 825,
&end
#
# 0 AMB 20-2:1708 54 LEU HB- 3.50 (# 1708:20 Single Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 829, 830, 831, 833, 834, 835, 829, 830, 831, 833,
834, 835, 185, 186, 187,
igr2= 824, 825,
&end
#
# 0 AMB 20-2:1709 0 AMB 20-1:1709 5.50 (# 1709:20 Double Ambig)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 192, 193, 194, 189, 190,
igr2= 824, 825, 824, 825,
&end
#
# 0 AMB 20-2:1710 54 LEU HB- 4.50 (# 1710:20 Single Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 192, 193, 194, 189, 190,
igr2= 824, 825,
&end
#
# 54 LEU HN 54 LEU HG 5.50 (# 1711:20 Unique 4.13, 4.51 A)
&rst
ixpk= 1711, nxpk= 20, iat= 820, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1712 54 LEU HG 4.50 (# 1712:20 Single Ambig)
&rst
ixpk= 1712, nxpk= 20, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 829, 830, 831, 833, 834, 835, 829, 830, 831, 833,
834, 835,
&end
#
# 54 LEU HN 54 LEU MDX 5.50 (# 1713:20 Unique 3.02, 4.88 A)
&rst
ixpk= 1713, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 55 PHE HN 54 LEU MDX 5.50 (# 1714:20 Unique 2.09, 5.19 A)
&rst
ixpk= 1714, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 51 TYR HD 54 LEU MDX 5.50 (# 1715:20 Unique 1.98, 5.94 A)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 773, 782,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 51 TYR HE 54 LEU MDX 5.50 (# 1716:20 Unique 3.40, 7.19 A)
&rst
ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 775, 780,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 60 LEU HN 54 LEU MDX 5.50 (# 1717:20 Unique 1.83, 4.89 A)
&rst
ixpk= 1717, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1718 0 AMB 20-1:1718 5.50 (# 1718:20 Double Ambig)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1241, 914, 181,
igr2=1522,1523, 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1719 0 AMB 20-1:1719 5.50 (# 1719:20 Double Ambig)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 78, 79, 767,
igr2=1522,1523, 829, 830, 831, 833, 834, 835,
&end
#
# 54 LEU HA 54 LEU MDX 5.50 (# 1720:20 Unique 1.98, 3.40 A)
&rst
ixpk= 1720, nxpk= 20, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1721 0 AMB 20-1:1721 5.50 (# 1721:20 Double Ambig)
&rst
ixpk= 1721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 769, 770, 68, 69,
igr2= 829, 830, 831, 833, 834, 835,1522,1523,
&end
#
# 0 AMB 20-2:1722 54 LEU MDX 5.50 (# 1722:20 Single Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 824, 825,1004,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1723 54 LEU MDX 3.50 (# 1723:20 Single Ambig)
&rst
ixpk= 1723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 827, 224, 225,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1724 54 LEU MDX 3.50 (# 1724:20 Single Ambig)
&rst
ixpk= 1724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1686, 824, 825,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 60 LEU HB- 54 LEU MDX 5.50 (# 1725:20 Unique 1.98, 4.60 A)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 916, 917,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 13 ILE HG1- 54 LEU MDX 5.50 (# 1726:20 Unique 2.24, 5.50 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 189, 190,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 54 LEU HN 54 LEU MDY 5.50 (# 1727:20 Unique 3.02, 4.88 A)
&rst
ixpk= 1727, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 55 PHE HN 54 LEU MDY 5.50 (# 1728:20 Unique 2.09, 5.19 A)
&rst
ixpk= 1728, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 60 LEU HN 54 LEU MDY 5.50 (# 1729:20 Unique 1.83, 4.89 A)
&rst
ixpk= 1729, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 54 LEU HA 54 LEU MDY 4.50 (# 1730:20 Unique 1.98, 3.40 A)
&rst
ixpk= 1730, nxpk= 20, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1731 54 LEU MDY 5.50 (# 1731:20 Single Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 878, 879, 893,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1732 54 LEU MDY 5.50 (# 1732:20 Single Ambig)
&rst
ixpk= 1732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 824, 825,1004,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1733 54 LEU MDY 5.50 (# 1733:20 Single Ambig)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 160,1849,1850,1851,1794,1795,1702,1703,1842,1843,
1842,1843,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1734 54 LEU MDY 3.50 (# 1734:20 Single Ambig)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1686, 824, 825,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1735 54 LEU MDY 3.50 (# 1735:20 Single Ambig)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 827, 224, 225,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1736 54 LEU MDY 3.50 (# 1736:20 Single Ambig)
&rst
ixpk= 1736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927, 192, 193, 194, 189, 190,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 56 GLU HN 55 PHE HA 5.50 (# 1737:20 Unique 3.35, 3.45 A)
&rst
ixpk= 1737, nxpk= 20, iat= 859, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HN 55 PHE HA 5.50 (# 1738:20 Unique 2.77, 2.83 A)
&rst
ixpk= 1738, nxpk= 20, iat= 839, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLY HN 55 PHE HA 5.50 (# 1739:20 Unique 2.00, 2.62 A)
&rst
ixpk= 1739, nxpk= 20, iat= 905, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HD 55 PHE HA 5.50 (# 1741:20 Unique 2.48, 3.94 A)
&rst
ixpk= 1741, nxpk= 20, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 847, 855,
&end
#
# 60 LEU HN 55 PHE HA 5.50 (# 1742:20 Unique 1.97, 2.51 A)
&rst
ixpk= 1742, nxpk= 20, iat= 912, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLY HA- 55 PHE HA 5.50 (# 1743:20 Unique 1.99, 3.02 A)
&rst
ixpk= 1743, nxpk= 20, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 907, 908,
&end
#
# 55 PHE HB+ 55 PHE HA 5.50 (# 1744:20 Unique 2.23, 2.55 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 843, 844,
&end
#
# 55 PHE HB- 55 PHE HA 5.50 (# 1745:20 Unique 2.23, 2.55 A)
&rst
ixpk= 1745, nxpk= 20, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 843, 844,
&end
#
# 60 LEU HG 55 PHE HA 5.50 (# 1746:20 Unique 3.80, 5.02 A)
&rst
ixpk= 1746, nxpk= 20, iat= 919, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1747 55 PHE HA 5.50 (# 1747:20 Single Ambig)
&rst
ixpk= 1747, nxpk= 20, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 829, 830, 831, 833, 834, 835, 895, 896, 897, 899,
900, 901,
&end
#
# 55 PHE HA 55 PHE HB- 5.50 (# 1748:20 Unique 2.23, 2.55 A)
&rst
ixpk= 1748, nxpk= 20, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 843, 844,
&end
#
# 55 PHE HA 55 PHE HB+ 5.50 (# 1749:20 Unique 2.23, 2.55 A)
&rst
ixpk= 1749, nxpk= 20, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 843, 844,
&end
#
# 55 PHE HD 55 PHE HB+ 5.50 (# 1750:20 Unique 2.29, 3.04 A)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 847, 855,
igr2= 843, 844,
&end
#
# 55 PHE HD 55 PHE HB- 5.50 (# 1751:20 Unique 2.29, 3.04 A)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 847, 855,
igr2= 843, 844,
&end
#
# 55 PHE HN 55 PHE HB- 5.50 (# 1752:20 Unique 2.07, 3.09 A)
&rst
ixpk= 1752, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 843, 844,
&end
#
# 55 PHE HN 55 PHE HB+ 5.50 (# 1753:20 Unique 2.07, 3.09 A)
&rst
ixpk= 1753, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 843, 844,
&end
#
# 56 GLU HN 55 PHE HB- 5.50 (# 1754:20 Unique 2.41, 3.78 A)
&rst
ixpk= 1754, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 843, 844,
&end
#
# 56 GLU HN 55 PHE HB+ 5.50 (# 1755:20 Unique 2.41, 3.78 A)
&rst
ixpk= 1755, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 843, 844,
&end
#
# 56 GLU HN 56 GLU HA 4.50 (# 1756:20 Unique 2.85, 2.90 A)
&rst
ixpk= 1756, nxpk= 20, iat= 859, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1757 0 AMB 20-1:1757 5.50 (# 1757:20 Double Ambig)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 839, 390,
igr2= 861, 440,
&end
#
# 55 PHE HD 56 GLU HA 5.50 (# 1758:20 Unique 2.99, 5.48 A)
&rst
ixpk= 1758, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 847, 855,
&end
#
# 56 GLU HG+ 56 GLU HA 5.50 (# 1759:20 Unique 2.22, 3.18 A)
&rst
ixpk= 1759, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 866, 867,
&end
#
# 56 GLU HG- 56 GLU HA 4.50 (# 1760:20 Unique 2.22, 3.18 A)
&rst
ixpk= 1760, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 866, 867,
&end
#
# 56 GLU HB+ 56 GLU HA 5.50 (# 1761:20 Unique 2.27, 2.72 A)
&rst
ixpk= 1761, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 863, 864,
&end
#
# 56 GLU HB- 56 GLU HA 4.50 (# 1762:20 Unique 2.27, 2.72 A)
&rst
ixpk= 1762, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 863, 864,
&end
#
# 46 ALA HN 47 GLU HB+ 5.50 (# 1764:20 Unique 4.22, 4.76 A)
&rst
ixpk= 1764, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 56 GLU HN 56 GLU HB+ 5.50 (# 1765:20 Unique 2.20, 3.09 A)
&rst
ixpk= 1765, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 864,
&end
#
# 56 GLU HN 56 GLU HB- 5.50 (# 1766:20 Unique 2.20, 3.09 A)
&rst
ixpk= 1766, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 864,
&end
#
# 56 GLU HA 56 GLU HB- 5.50 (# 1767:20 Unique 2.27, 2.72 A)
&rst
ixpk= 1767, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 864,
&end
#
# 56 GLU HG+ 56 GLU HB- 5.50 (# 1768:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 866, 867,
igr2= 863, 864,
&end
#
# 56 GLU HG- 56 GLU HB+ 4.50 (# 1769:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 866, 867,
igr2= 863, 864,
&end
#
# 56 GLU HG- 56 GLU HB- 5.50 (# 1770:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 866, 867,
igr2= 863, 864,
&end
#
# 56 GLU HN 56 GLU HG+ 4.50 (# 1771:20 Unique 1.96, 2.98 A)
&rst
ixpk= 1771, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 866, 867,
&end
#
# 56 GLU HN 56 GLU HG- 5.50 (# 1772:20 Unique 1.96, 2.98 A)
&rst
ixpk= 1772, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 866, 867,
&end
#
# 55 PHE HN 56 GLU HG+ 5.50 (# 1773:20 Unique 3.47, 4.82 A)
&rst
ixpk= 1773, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 866, 867,
&end
#
# 55 PHE HN 56 GLU HG- 5.50 (# 1774:20 Unique 3.47, 4.82 A)
&rst
ixpk= 1774, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 866, 867,
&end
#
# 55 PHE HD 56 GLU HG+ 5.50 (# 1775:20 Unique 1.98, 4.84 A)
&rst
ixpk= 1775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 847, 855,
igr2= 866, 867,
&end
#
# 55 PHE HD 56 GLU HG- 5.50 (# 1776:20 Unique 1.98, 4.84 A)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 847, 855,
igr2= 866, 867,
&end
#
# 0 AMB 20-2:1777 0 AMB 20-1:1777 5.50 (# 1777:20 Double Ambig)
&rst
ixpk= 1777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 788, 841,
igr2= 866, 867, 866, 867,
&end
#
# 53 ALA HA 56 GLU HG+ 5.50 (# 1778:20 Unique 1.97, 3.48 A)
&rst
ixpk= 1778, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 866, 867,
&end
#
# 53 ALA HA 56 GLU HG- 5.50 (# 1779:20 Unique 1.97, 3.48 A)
&rst
ixpk= 1779, nxpk= 20, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 866, 867,
&end
#
# 56 GLU HA 56 GLU HG+ 5.50 (# 1780:20 Unique 2.22, 3.18 A)
&rst
ixpk= 1780, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 866, 867,
&end
#
# 56 GLU HA 56 GLU HG- 4.50 (# 1781:20 Unique 2.22, 3.18 A)
&rst
ixpk= 1781, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 866, 867,
&end
#
# 52 ARG HD+ 56 GLU HG+ 5.50 (# 1782:20 Unique 4.40, 6.84 A)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 796, 797,
igr2= 866, 867,
&end
#
# 55 PHE HB- 56 GLU HG+ 5.50 (# 1783:20 Unique 2.78, 5.01 A)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 843, 844,
igr2= 866, 867,
&end
#
# 56 GLU HB+ 56 GLU HG+ 5.50 (# 1784:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 863, 864,
igr2= 866, 867,
&end
#
# 56 GLU HB- 56 GLU HG+ 5.50 (# 1785:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 863, 864,
igr2= 866, 867,
&end
#
# 56 GLU HB- 56 GLU HG- 4.50 (# 1786:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 863, 864,
igr2= 866, 867,
&end
#
# 56 GLU HB+ 56 GLU HG- 2.80 (# 1787:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 863, 864,
igr2= 866, 867,
&end
#
# 0 AMB 20-2:1788 0 AMB 20-1:1788 5.50 (# 1788:20 Double Ambig)
&rst
ixpk= 1788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 793, 794,1926,1927,
igr2= 866, 867, 866, 867,
&end
#
# 0 AMB 20-2:1789 56 GLU HG- 5.50 (# 1789:20 Single Ambig)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1943,1944, 793, 794,1926,1927,
igr2= 866, 867,
&end
#
# 57 GLU HN 57 GLU HA 5.50 (# 1790:20 Unique 2.87, 2.93 A)
&rst
ixpk= 1790, nxpk= 20, iat= 874, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HG+ 57 GLU HA 5.50 (# 1791:20 Unique 2.13, 3.03 A)
&rst
ixpk= 1791, nxpk= 20, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 881, 882,
&end
#
# 58 VAL HN 57 GLU HB+ 5.50 (# 1793:20 Unique 2.39, 2.95 A)
&rst
ixpk= 1793, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 878, 879,
&end
#
# 0 AMB 20-2:1794 0 AMB 20-1:1794 5.50 (# 1794:20 Double Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 847, 855, 773, 782, 446, 454,
igr2= 878, 879, 878, 879, 878, 879,
&end
#
# 57 GLU HA 57 GLU HB+ 5.50 (# 1795:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1795, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 878, 879,
&end
#
# 57 GLU HG+ 57 GLU HB+ 5.50 (# 1796:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 881, 882,
igr2= 878, 879,
&end
#
# 0 AMB 20-2:1797 0 AMB 20-1:1797 5.50 (# 1797:20 Double Ambig)
&rst
ixpk= 1797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901, 829, 830, 831, 833, 834, 835,
igr2= 878, 879, 878, 879, 878, 879,
&end
#
# 57 GLU HN 57 GLU HG- 5.50 (# 1798:20 Unique 1.97, 3.53 A)
&rst
ixpk= 1798, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 881, 882,
&end
#
# 57 GLU HA 57 GLU HG- 5.50 (# 1799:20 Unique 2.13, 3.03 A)
&rst
ixpk= 1799, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 881, 882,
&end
#
# 120 GLU HB- 57 GLU HG- 5.50 (# 1801:20 Unique 3.50, 6.38 A)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1940,1941,
igr2= 881, 882,
&end
#
# 57 GLU HN 57 GLU HG+ 5.50 (# 1802:20 Unique 1.97, 3.53 A)
&rst
ixpk= 1802, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 881, 882,
&end
#
# 57 GLU HA 57 GLU HG+ 5.50 (# 1803:20 Unique 2.13, 3.03 A)
&rst
ixpk= 1803, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 881, 882,
&end
#
# 57 GLU HB+ 57 GLU HG+ 5.50 (# 1804:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 878, 879,
igr2= 881, 882,
&end
#
# 57 GLU HB+ 57 GLU HG- 5.50 (# 1805:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 878, 879,
igr2= 881, 882,
&end
#
# 58 VAL HN 58 VAL HA 5.50 (# 1806:20 Unique 2.92, 2.94 A)
&rst
ixpk= 1806, nxpk= 20, iat= 889, 891, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLY HN 58 VAL HA 5.50 (# 1807:20 Unique 3.00, 3.32 A)
&rst
ixpk= 1807, nxpk= 20, iat= 905, 891, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLY HA- 58 VAL HA 5.50 (# 1808:20 Unique 4.40, 4.78 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 907, 908,
&end
#
# 113 MET HG+ 58 VAL HA 5.50 (# 1809:20 Unique 1.95, 3.05 A)
&rst
ixpk= 1809, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1845,1846,
&end
#
# 58 VAL HB 58 VAL HA 4.50 (# 1810:20 Unique 2.42, 2.55 A)
&rst
ixpk= 1810, nxpk= 20, iat= 893, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1811 58 VAL HA 4.50 (# 1811:20 Single Ambig)
&rst
ixpk= 1811, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1849,1850,1851,1842,1843,1842,1843,
&end
#
# 0 AMB 20-2:1812 58 VAL HA 3.50 (# 1812:20 Single Ambig)
&rst
ixpk= 1812, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 111 ILE QG2 58 VAL HA 5.50 (# 1813:20 Unique 2.19, 4.28 A)
&rst
ixpk= 1813, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1811,1812,1813,
&end
#
# 0 AMB 20-2:1814 58 VAL HB 5.50 (# 1814:20 Single Ambig)
&rst
ixpk= 1814, nxpk= 20, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1815,1816, 350, 351, 352,
&end
#
# 0 AMB 20-2:1815 0 AMB 20-1:1815 4.50 (# 1815:20 Double Ambig)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 418, 419,1542,1543,
igr2= 472, 473, 472, 473,1545,1546,
&end
#
# 0 AMB 20-2:1816 0 AMB 20-1:1816 5.50 (# 1816:20 Double Ambig)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 151, 152,1550,1551,
igr2=1581,1582,1545,1546,
&end
#
# 54 LEU HN 58 VAL MGX 5.50 (# 1817:20 Unique 5.84, 8.16 A)
&rst
ixpk= 1817, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 57 GLU HN 58 VAL MGX 5.50 (# 1818:20 Unique 3.72, 5.63 A)
&rst
ixpk= 1818, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:1819 0 AMB 20-1:1819 5.50 (# 1819:20 Double Ambig)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 299,1824,
igr2=2565,2566,2567,2569,2570,2571, 895, 896, 897, 899,
900, 901,
&end
#
# 0 AMB 20-2:1820 0 AMB 20-1:1820 4.50 (# 1820:20 Double Ambig)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2559, 905,
igr2=2565,2566,2567,2569,2570,2571, 895, 896, 897, 899,
900, 901,
&end
#
# 58 VAL HN 58 VAL MGX 4.50 (# 1821:20 Unique 1.95, 3.62 A)
&rst
ixpk= 1821, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 103 GLN HE2+ 155 VAL MGX 5.50 (# 1822:20 Unique 1.92, 4.93 A)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1710,1711,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 60 LEU HN 58 VAL MGX 5.50 (# 1823:20 Unique 1.92, 4.36 A)
&rst
ixpk= 1823, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:1824 155 VAL MGX 5.50 (# 1824:20 Single Ambig)
&rst
ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2099,2104,2097,2106,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 60 LEU HA 58 VAL MGX 5.50 (# 1825:20 Unique 3.93, 6.35 A)
&rst
ixpk= 1825, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 58 VAL HA 58 VAL MGX 4.50 (# 1826:20 Unique 2.04, 3.42 A)
&rst
ixpk= 1826, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 20 GLY HA+ 155 VAL MGX 5.50 (# 1827:20 Unique 1.98, 5.26 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 301, 302,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 54 LEU HA 58 VAL MGX 5.50 (# 1828:20 Unique 3.31, 5.58 A)
&rst
ixpk= 1828, nxpk= 20, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 20 GLY HA- 155 VAL MGX 5.50 (# 1829:20 Unique 1.98, 5.26 A)
&rst
ixpk= 1829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 301, 302,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 0 AMB 20-2:1830 0 AMB 20-1:1830 4.50 (# 1830:20 Double Ambig)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2561,1807,
igr2=2565,2566,2567,2569,2570,2571, 895, 896, 897, 899,
900, 901,
&end
#
# 16 CYS HB+ 155 VAL MGX 5.50 (# 1831:20 Unique 1.96, 4.18 A)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 237, 238,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 0 AMB 20-2:1832 0 AMB 20-1:1832 5.50 (# 1832:20 Double Ambig)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 237, 238,1845,1846,2582,2583,
igr2=2565,2566,2567,2569,2570,2571, 895, 896, 897, 899,
900, 901,
&end
#
# 156 MET HG- 155 VAL MGX 5.50 (# 1833:20 Unique 2.57, 6.19 A)
&rst
ixpk= 1833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2582,2583,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 58 VAL HB 58 VAL MGX 3.50 (# 1834:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1834, nxpk= 20, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:1835 0 AMB 20-1:1835 5.50 (# 1835:20 Double Ambig)
&rst
ixpk= 1835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 313, 314, 824, 825,2626,2627,
igr2=2565,2566,2567,2569,2570,2571, 895, 896, 897, 899,
900, 901,
&end
#
# 113 MET ME 58 VAL MGX 4.50 (# 1836:20 Unique 1.99, 5.49 A)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1849,1850,1851,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:1837 0 AMB 20-1:1837 3.50 (# 1837:20 Double Ambig)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 224, 225,2563, 827,
igr2= 895, 896, 897, 899, 900, 901,2565,2566,2567,2569,
2570,2571,
&end
#
# 0 AMB 20-2:1838 68 LEU MDY 4.50 (# 1838:20 Single Ambig)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=2549,2550,2551,2553,2554,2555,1667,1664,1665,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 0 AMB 20-2:1839 0 AMB 20-1:1839 4.50 (# 1839:20 Double Ambig)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.02, r4=11.52,
igr1=1669,1670,1671,1673,1674,1675, 921, 922, 923, 925,
926, 927, 921, 922, 923, 925, 926, 927,
igr2=2565,2566,2567,2569,2570,2571, 895, 896, 897, 899,
900, 901,
&end
#
# 111 ILE QD1 58 VAL MGY 5.50 (# 1840:20 Unique 1.98, 4.77 A)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1818,1819,1820,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 111 ILE QG2 58 VAL MGY 4.50 (# 1841:20 Unique 1.96, 5.48 A)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1811,1812,1813,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 111 ILE HG1+ 58 VAL MGY 5.50 (# 1842:20 Unique 1.97, 4.53 A)
&rst
ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1815,1816,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:1843 58 VAL MGY 3.50 (# 1843:20 Single Ambig)
&rst
ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816, 350, 351, 352,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 20-2:1844 58 VAL MGY 2.80 (# 1844:20 Single Ambig)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 224, 225, 827,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 113 MET ME 58 VAL MGY 3.50 (# 1845:20 Unique 1.99, 5.49 A)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1849,1850,1851,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 58 VAL HB 58 VAL MGY 3.50 (# 1846:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1846, nxpk= 20, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 113 MET HG+ 58 VAL MGY 5.50 (# 1847:20 Unique 2.07, 5.52 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1845,1846,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 58 VAL HA 58 VAL MGY 3.50 (# 1848:20 Unique 2.04, 3.42 A)
&rst
ixpk= 1848, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 58 VAL HN 58 VAL MGY 5.50 (# 1850:20 Unique 1.95, 3.62 A)
&rst
ixpk= 1850, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 112 ASN HN 58 VAL MGY 5.50 (# 1851:20 Unique 2.49, 5.26 A)
&rst
ixpk= 1851, nxpk= 20, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 57 GLU HN 58 VAL MGY 5.50 (# 1852:20 Unique 3.72, 5.63 A)
&rst
ixpk= 1852, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 57 GLU HN 59 GLY HA+ 5.50 (# 1853:20 Unique 4.42, 5.14 A)
&rst
ixpk= 1853, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 57 GLU HN 59 GLY HA- 5.50 (# 1854:20 Unique 4.42, 5.14 A)
&rst
ixpk= 1854, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 112 ASN HN 59 GLY HA+ 5.50 (# 1855:20 Unique 2.65, 4.17 A)
&rst
ixpk= 1855, nxpk= 20, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 112 ASN HN 59 GLY HA- 5.50 (# 1856:20 Unique 2.65, 4.17 A)
&rst
ixpk= 1856, nxpk= 20, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 59 GLY HN 59 GLY HA+ 5.50 (# 1857:20 Unique 2.29, 2.61 A)
&rst
ixpk= 1857, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 59 GLY HN 59 GLY HA- 5.50 (# 1858:20 Unique 2.29, 2.61 A)
&rst
ixpk= 1858, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 58 VAL HN 59 GLY HA- 5.50 (# 1859:20 Unique 4.00, 4.36 A)
&rst
ixpk= 1859, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 58 VAL HN 59 GLY HA+ 5.50 (# 1860:20 Unique 4.00, 4.36 A)
&rst
ixpk= 1860, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 60 LEU HN 59 GLY HA+ 5.50 (# 1861:20 Unique 2.52, 3.22 A)
&rst
ixpk= 1861, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 60 LEU HN 59 GLY HA- 5.50 (# 1862:20 Unique 2.52, 3.22 A)
&rst
ixpk= 1862, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 60 LEU HA 59 GLY HA+ 5.50 (# 1863:20 Unique 4.35, 4.51 A)
&rst
ixpk= 1863, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 55 PHE HA 59 GLY HA+ 5.50 (# 1865:20 Unique 1.99, 3.02 A)
&rst
ixpk= 1865, nxpk= 20, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 55 PHE HA 59 GLY HA- 5.50 (# 1866:20 Unique 1.99, 3.02 A)
&rst
ixpk= 1866, nxpk= 20, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 0 AMB 20-2:1867 0 AMB 20-1:1867 5.50 (# 1867:20 Double Ambig)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1828,1829,1828,1829,
igr2= 907, 908, 907, 908,
&end
#
# 0 AMB 20-2:1868 59 GLY HA- 5.50 (# 1868:20 Single Ambig)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1828,1829,1828,1829,
igr2= 907, 908,
&end
#
# 0 AMB 20-2:1869 0 AMB 20-1:1869 5.50 (# 1869:20 Double Ambig)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2= 907, 908, 907, 908,
&end
#
# 0 AMB 20-2:1870 59 GLY HA- 5.50 (# 1870:20 Single Ambig)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2= 907, 908,
&end
#
# 115 THR MG2 59 GLY HA- 5.50 (# 1871:20 Unique 1.95, 3.46 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1878,1879,1880,
igr2= 907, 908,
&end
#
# 115 THR MG2 59 GLY HA+ 5.50 (# 1872:20 Unique 1.95, 3.46 A)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1878,1879,1880,
igr2= 907, 908,
&end
#
# 60 LEU HG 59 GLY HA- 5.50 (# 1873:20 Unique 3.88, 4.64 A)
&rst
ixpk= 1873, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 61 SER HN 60 LEU HA 5.50 (# 1874:20 Unique 2.28, 2.97 A)
&rst
ixpk= 1874, nxpk= 20, iat= 931, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 LEU HN 60 LEU HA 5.50 (# 1875:20 Unique 2.90, 2.93 A)
&rst
ixpk= 1875, nxpk= 20, iat= 912, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1876 60 LEU HA 4.50 (# 1876:20 Single Ambig)
&rst
ixpk= 1876, nxpk= 20, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 61 SER HN 60 LEU HB+ 5.50 (# 1877:20 Unique 1.85, 2.75 A)
&rst
ixpk= 1877, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 916, 917,
&end
#
# 61 SER HN 60 LEU HB- 5.50 (# 1878:20 Unique 1.85, 2.75 A)
&rst
ixpk= 1878, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 916, 917,
&end
#
# 60 LEU HN 60 LEU HB+ 5.50 (# 1879:20 Unique 2.30, 3.19 A)
&rst
ixpk= 1879, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 916, 917,
&end
#
# 60 LEU HN 60 LEU HB- 5.50 (# 1880:20 Unique 2.30, 3.19 A)
&rst
ixpk= 1880, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 916, 917,
&end
#
# 60 LEU HA 60 LEU HB+ 5.50 (# 1881:20 Unique 2.28, 2.70 A)
&rst
ixpk= 1881, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 916, 917,
&end
#
# 60 LEU HA 60 LEU HB- 5.50 (# 1882:20 Unique 2.28, 2.70 A)
&rst
ixpk= 1882, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 916, 917,
&end
#
# 0 AMB 20-2:1883 60 LEU HB- 5.50 (# 1883:20 Single Ambig)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 992, 993, 992, 993,
igr2= 916, 917,
&end
#
# 54 LEU MDX 60 LEU HB+ 5.50 (# 1884:20 Unique 1.98, 4.60 A)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 829, 830, 831, 833, 834, 835,
igr2= 916, 917,
&end
#
# 0 AMB 20-2:1885 0 AMB 20-1:1885 5.50 (# 1885:20 Double Ambig)
&rst
ixpk= 1885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2= 916, 917, 916, 917,
&end
#
# 0 AMB 20-2:1886 0 AMB 20-1:1886 4.50 (# 1886:20 Double Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 829, 830, 831, 833, 834, 835,1068,1069,1070,1072,
1073,1074,
igr2= 916, 917,1063,1064,
&end
#
# 0 AMB 20-2:1887 0 AMB 20-1:1887 4.50 (# 1887:20 Double Ambig)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1= 921, 922, 923, 925, 926, 927,1669,1670,1671,1673,
1674,1675,1066,
igr2= 916, 917,1063,1064,1063,1064,
&end
#
# 7 TYR HE 78 LYS HG- 5.50 (# 1888:20 Unique 3.38, 6.60 A)
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 93, 98,
igr2=1246,1247,
&end
#
# 0 AMB 20-2:1890 78 LYS HG- 5.50 (# 1890:20 Single Ambig)
&rst
ixpk= 1890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1252,1253,1252,1253,
igr2=1246,1247,
&end
#
# 0 AMB 20-2:1891 0 AMB 20-1:1891 5.50 (# 1891:20 Double Ambig)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1252,1253,1252,1253,
igr2=1246,1247,1246,1247,
&end
#
# 0 AMB 20-2:1892 60 LEU HG 4.50 (# 1892:20 Single Ambig)
&rst
ixpk= 1892, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 93 ILE QD1 78 LYS HG+ 5.50 (# 1893:20 Unique 2.07, 5.13 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1525,1526,1527,
igr2=1246,1247,
&end
#
# 61 SER HN 60 LEU MDX 5.50 (# 1894:20 Unique 2.88, 5.11 A)
&rst
ixpk= 1894, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 60 LEU HN 60 LEU MDX 5.50 (# 1895:20 Unique 2.38, 4.56 A)
&rst
ixpk= 1895, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 60 LEU HA 60 LEU MDX 5.50 (# 1896:20 Unique 1.99, 3.95 A)
&rst
ixpk= 1896, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 111 ILE HA 60 LEU MDX 5.50 (# 1897:20 Unique 2.10, 4.48 A)
&rst
ixpk= 1897, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 0 AMB 20-2:1898 60 LEU MDX 5.50 (# 1898:20 Single Ambig)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 992, 993, 992, 993,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 58 VAL HB 60 LEU MDX 5.50 (# 1899:20 Unique 1.99, 4.63 A)
&rst
ixpk= 1899, nxpk= 20, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 0 AMB 20-2:1900 60 LEU MDX 3.50 (# 1900:20 Single Ambig)
&rst
ixpk= 1900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1809, 976, 977,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 111 ILE HG1- 60 LEU MDX 5.50 (# 1901:20 Unique 2.01, 5.05 A)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1815,1816,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 104 LEU MDX 60 LEU MDX 4.50 (# 1902:20 Unique 2.02, 5.98 A)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1724,1725,1726,1728,1729,1730,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 111 ILE QD1 60 LEU MDX 5.50 (# 1904:20 Unique 2.04, 5.40 A)
&rst
ixpk= 1904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1818,1819,1820,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 0 AMB 20-2:1905 0 AMB 20-1:1905 5.50 (# 1905:20 Double Ambig)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1833,1834,2289, 905,
igr2= 921, 922, 923, 925, 926, 927,2296,2297,
&end
#
# 0 AMB 20-2:1906 0 AMB 20-1:1906 5.50 (# 1906:20 Double Ambig)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2279,2283,1750,
igr2=2296,2297, 921, 922, 923, 925, 926, 927,
&end
#
# 93 ILE HN 93 ILE HG1+ 5.50 (# 1908:20 Unique 1.90, 2.78 A)
&rst
ixpk= 1908, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1522,1523,
&end
#
# 0 AMB 20-2:1909 0 AMB 20-1:1909 5.50 (# 1909:20 Double Ambig)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1824,1261,
igr2= 921, 922, 923, 925, 926, 927,1522,1523,
&end
#
# 6 GLY HN 93 ILE HG1+ 5.50 (# 1910:20 Unique 3.47, 4.99 A)
&rst
ixpk= 1910, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1522,1523,
&end
#
# 0 AMB 20-2:1911 0 AMB 20-1:1911 5.50 (# 1911:20 Double Ambig)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1503, 990,1752,
igr2=1522,1523, 921, 922, 923, 925, 926, 927,
&end
#
# 93 ILE HA 93 ILE HG1+ 5.50 (# 1912:20 Unique 3.51, 3.81 A)
&rst
ixpk= 1912, nxpk= 20, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1522,1523,
&end
#
# 6 GLY HA- 93 ILE HG1+ 5.50 (# 1913:20 Unique 1.97, 4.09 A)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 78, 79,
igr2=1522,1523,
&end
#
# 0 AMB 20-2:1914 0 AMB 20-1:1914 4.50 (# 1914:20 Double Ambig)
&rst
ixpk= 1914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1516,1722,
igr2=1522,1523, 921, 922, 923, 925, 926, 927,
&end
#
# 60 LEU HB- 60 LEU MDX 5.50 (# 1915:20 Unique 2.01, 3.26 A)
&rst
ixpk= 1915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 916, 917,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 0 AMB 20-2:1916 60 LEU MDX 3.50 (# 1916:20 Single Ambig)
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 916, 917, 919,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 61 SER HN 60 LEU MDY 5.50 (# 1917:20 Unique 2.88, 5.11 A)
&rst
ixpk= 1917, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 112 ASN HN 60 LEU MDY 5.50 (# 1918:20 Unique 2.90, 5.58 A)
&rst
ixpk= 1918, nxpk= 20, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 64 ASP HN 60 LEU MDY 5.50 (# 1919:20 Unique 4.61, 6.50 A)
&rst
ixpk= 1919, nxpk= 20, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 110 GLU HN 60 LEU MDY 5.50 (# 1920:20 Unique 4.81, 6.72 A)
&rst
ixpk= 1920, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 111 ILE HN 60 LEU MDY 5.50 (# 1921:20 Unique 3.64, 5.83 A)
&rst
ixpk= 1921, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 60 LEU HN 60 LEU MDY 5.50 (# 1922:20 Unique 2.38, 4.56 A)
&rst
ixpk= 1922, nxpk= 20, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 60 LEU HA 60 LEU MDY 3.50 (# 1923:20 Unique 1.99, 3.95 A)
&rst
ixpk= 1923, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 111 ILE HA 60 LEU MDY 4.50 (# 1924:20 Unique 2.10, 4.48 A)
&rst
ixpk= 1924, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 0 AMB 20-2:1925 60 LEU MDY 4.50 (# 1925:20 Single Ambig)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 992, 993, 992, 993,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 110 GLU HG- 60 LEU MDY 5.50 (# 1926:20 Unique 2.00, 6.62 A)
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1797,1798,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 110 GLU HG+ 60 LEU MDY 5.50 (# 1927:20 Unique 2.00, 6.62 A)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1797,1798,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 113 MET HG+ 60 LEU MDY 5.50 (# 1928:20 Unique 4.95, 8.46 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1845,1846,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 110 GLU HB+ 60 LEU MDY 4.50 (# 1929:20 Unique 1.98, 5.51 A)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1794,1795,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 110 GLU HB- 60 LEU MDY 4.50 (# 1930:20 Unique 1.98, 5.51 A)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1794,1795,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 60 LEU HB- 60 LEU MDY 3.50 (# 1931:20 Unique 2.01, 3.26 A)
&rst
ixpk= 1931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 916, 917,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 60 LEU HG 60 LEU MDY 2.80 (# 1932:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1932, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 111 ILE HG1- 60 LEU MDY 4.50 (# 1933:20 Unique 2.01, 5.05 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1815,1816,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 104 LEU MDX 60 LEU MDY 2.80 (# 1934:20 Unique 2.02, 5.98 A)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1724,1725,1726,1728,1729,1730,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 111 ILE QD1 60 LEU MDY 5.50 (# 1935:20 Unique 2.04, 5.40 A)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1818,1819,1820,
igr2= 921, 922, 923, 925, 926, 927,
&end
#
# 61 SER HN 61 SER HB+ 5.50 (# 1936:20 Unique 2.39, 3.44 A)
&rst
ixpk= 1936, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 935, 936,
&end
#
# 61 SER HN 61 SER HB- 5.50 (# 1937:20 Unique 2.39, 3.44 A)
&rst
ixpk= 1937, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 935, 936,
&end
#
# 62 ARG HN 61 SER HB+ 4.50 (# 1938:20 Unique 2.00, 2.99 A)
&rst
ixpk= 1938, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 935, 936,
&end
#
# 62 ARG HN 61 SER HB- 4.50 (# 1939:20 Unique 2.00, 2.99 A)
&rst
ixpk= 1939, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 935, 936,
&end
#
# 63 LYS HN 61 SER HB+ 5.50 (# 1940:20 Unique 2.13, 3.24 A)
&rst
ixpk= 1940, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 935, 936,
&end
#
# 63 LYS HN 61 SER HB- 5.50 (# 1941:20 Unique 2.13, 3.24 A)
&rst
ixpk= 1941, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 935, 936,
&end
#
# 55 PHE HD 61 SER HB+ 5.50 (# 1942:20 Unique 2.01, 5.13 A)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 847, 855,
igr2= 935, 936,
&end
#
# 55 PHE HD 61 SER HB- 5.50 (# 1943:20 Unique 2.01, 5.13 A)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 847, 855,
igr2= 935, 936,
&end
#
# 61 SER HA 61 SER HB+ 4.50 (# 1944:20 Unique 2.24, 2.70 A)
&rst
ixpk= 1944, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 935, 936,
&end
#
# 61 SER HA 61 SER HB- 4.50 (# 1945:20 Unique 2.24, 2.70 A)
&rst
ixpk= 1945, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 935, 936,
&end
#
# 60 LEU HA 61 SER HB+ 5.50 (# 1946:20 Unique 3.83, 4.73 A)
&rst
ixpk= 1946, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 935, 936,
&end
#
# 60 LEU HA 61 SER HB- 5.50 (# 1947:20 Unique 3.83, 4.73 A)
&rst
ixpk= 1947, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 935, 936,
&end
#
# 51 TYR HB+ 61 SER HB+ 5.50 (# 1948:20 Unique 2.27, 4.84 A)
&rst
ixpk= 1948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 769, 770,
igr2= 935, 936,
&end
#
# 51 TYR HB+ 61 SER HB- 5.50 (# 1949:20 Unique 2.27, 4.84 A)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 769, 770,
igr2= 935, 936,
&end
#
# 63 LYS HB+ 61 SER HB+ 5.50 (# 1950:20 Unique 2.85, 5.20 A)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 970, 971,
igr2= 935, 936,
&end
#
# 63 LYS HB+ 61 SER HB- 5.50 (# 1951:20 Unique 2.85, 5.20 A)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 970, 971,
igr2= 935, 936,
&end
#
# 0 AMB 20-2:1952 0 AMB 20-1:1952 5.50 (# 1952:20 Double Ambig)
&rst
ixpk= 1952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 946, 947, 916, 917,
igr2= 935, 936, 935, 936,
&end
#
# 0 AMB 20-2:1953 61 SER HB- 5.50 (# 1953:20 Single Ambig)
&rst
ixpk= 1953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 946, 947, 916, 917,
igr2= 935, 936,
&end
#
# 0 AMB 20-2:1954 0 AMB 20-1:1954 5.50 (# 1954:20 Double Ambig)
&rst
ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 973, 974, 973, 974,
igr2= 935, 936, 935, 936,
&end
#
# 0 AMB 20-2:1955 61 SER HB- 5.50 (# 1955:20 Single Ambig)
&rst
ixpk= 1955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 973, 974, 973, 974,
igr2= 935, 936,
&end
#
# 62 ARG HG- 61 SER HB+ 5.50 (# 1956:20 Unique 2.66, 4.80 A)
&rst
ixpk= 1956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 949, 950,
igr2= 935, 936,
&end
#
# 62 ARG HG- 61 SER HB- 5.50 (# 1957:20 Unique 2.66, 4.80 A)
&rst
ixpk= 1957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 949, 950,
igr2= 935, 936,
&end
#
# 0 AMB 20-2:1958 61 SER HB- 5.50 (# 1958:20 Single Ambig)
&rst
ixpk= 1958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927, 192, 193, 194,
igr2= 935, 936,
&end
#
# 54 LEU HG 61 SER HB- 5.50 (# 1959:20 Unique 3.89, 4.90 A)
&rst
ixpk= 1959, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 935, 936,
&end
#
# 63 LYS HD- 61 SER HB+ 5.50 (# 1960:20 Unique 2.63, 5.33 A)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 976, 977,
igr2= 935, 936,
&end
#
# 54 LEU MDX 62 ARG HA 5.50 (# 1961:20 Unique 3.57, 6.17 A)
&rst
ixpk= 1961, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 20-2:1962 62 ARG HA 4.50 (# 1962:20 Single Ambig)
&rst
ixpk= 1962, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1006,1007,1008,1010,1011,1012,1006,1007,1008,1010,
1011,1012,
&end
#
# 62 ARG HG+ 62 ARG HA 5.50 (# 1963:20 Unique 2.92, 3.76 A)
&rst
ixpk= 1963, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 949, 950,
&end
#
# 62 ARG HB+ 62 ARG HA 4.50 (# 1964:20 Unique 2.25, 2.47 A)
&rst
ixpk= 1964, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 946, 947,
&end
#
# 0 AMB 20-2:1965 62 ARG HA 5.50 (# 1965:20 Single Ambig)
&rst
ixpk= 1965, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 952, 953, 952, 953,
&end
#
# 51 TYR HE 62 ARG HA 4.50 (# 1967:20 Unique 2.16, 3.97 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 775, 780,
&end
#
# 65 VAL HN 62 ARG HA 5.50 (# 1969:20 Unique 3.23, 3.81 A)
&rst
ixpk= 1969, nxpk= 20, iat=1000, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 LYS HN 62 ARG HA 5.50 (# 1970:20 Unique 3.21, 3.33 A)
&rst
ixpk= 1970, nxpk= 20, iat= 966, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ARG HN 62 ARG HA 5.50 (# 1971:20 Unique 2.78, 2.82 A)
&rst
ixpk= 1971, nxpk= 20, iat= 942, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ARG HN 62 ARG HB+ 4.50 (# 1972:20 Unique 2.46, 3.15 A)
&rst
ixpk= 1972, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 946, 947,
&end
#
# 62 ARG HN 62 ARG HB- 4.50 (# 1973:20 Unique 2.46, 3.15 A)
&rst
ixpk= 1973, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 946, 947,
&end
#
# 63 LYS HN 62 ARG HB+ 5.50 (# 1974:20 Unique 3.41, 4.20 A)
&rst
ixpk= 1974, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 63 LYS HN 62 ARG HB- 5.50 (# 1975:20 Unique 3.41, 4.20 A)
&rst
ixpk= 1975, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 51 TYR HD 62 ARG HB+ 5.50 (# 1976:20 Unique 2.69, 4.25 A)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 773, 782,
igr2= 946, 947,
&end
#
# 51 TYR HD 62 ARG HB- 5.50 (# 1977:20 Unique 2.69, 4.25 A)
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 773, 782,
igr2= 946, 947,
&end
#
# 62 ARG HE 62 ARG HB- 5.50 (# 1978:20 Unique 3.22, 4.08 A)
&rst
ixpk= 1978, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 51 TYR HE 62 ARG HB- 5.50 (# 1979:20 Unique 2.88, 3.98 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 775, 780,
igr2= 946, 947,
&end
#
# 51 TYR HE 62 ARG HB+ 5.50 (# 1980:20 Unique 2.88, 3.98 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 775, 780,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:1982 62 ARG HB- 5.50 (# 1982:20 Single Ambig)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 933,1018,
igr2= 946, 947,
&end
#
# 63 LYS HA 62 ARG HB+ 5.50 (# 1983:20 Unique 4.14, 5.10 A)
&rst
ixpk= 1983, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 63 LYS HA 62 ARG HB- 5.50 (# 1984:20 Unique 4.14, 5.10 A)
&rst
ixpk= 1984, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 61 SER HB+ 62 ARG HB- 5.50 (# 1985:20 Unique 4.42, 5.92 A)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 935, 936,
igr2= 946, 947,
&end
#
# 62 ARG HA 62 ARG HB+ 4.50 (# 1986:20 Unique 2.25, 2.47 A)
&rst
ixpk= 1986, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 946, 947,
&end
#
# 62 ARG HA 62 ARG HB- 4.50 (# 1987:20 Unique 2.25, 2.47 A)
&rst
ixpk= 1987, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:1988 62 ARG HB- 4.50 (# 1988:20 Single Ambig)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 952, 953, 952, 953,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:1989 0 AMB 20-1:1989 4.50 (# 1989:20 Double Ambig)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 952, 953, 952, 953,
igr2= 946, 947, 946, 947,
&end
#
# 62 ARG HG+ 62 ARG HB+ 3.50 (# 1990:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 949, 950,
igr2= 946, 947,
&end
#
# 62 ARG HG+ 62 ARG HB- 4.50 (# 1991:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 949, 950,
igr2= 946, 947,
&end
#
# 62 ARG HG- 62 ARG HB+ 4.50 (# 1992:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 949, 950,
igr2= 946, 947,
&end
#
# 62 ARG HG- 62 ARG HB- 4.50 (# 1993:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 949, 950,
igr2= 946, 947,
&end
#
# 62 ARG HN 62 ARG HG+ 5.50 (# 1994:20 Unique 1.90, 2.70 A)
&rst
ixpk= 1994, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 949, 950,
&end
#
# 62 ARG HE 62 ARG HG+ 5.50 (# 1995:20 Unique 2.43, 3.40 A)
&rst
ixpk= 1995, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 949, 950,
&end
#
# 51 TYR HE 62 ARG HG+ 5.50 (# 1996:20 Unique 3.95, 5.73 A)
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 775, 780,
igr2= 949, 950,
&end
#
# 62 ARG HA 62 ARG HG+ 5.50 (# 1997:20 Unique 2.92, 3.76 A)
&rst
ixpk= 1997, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 949, 950,
&end
#
# 0 AMB 20-2:1998 0 AMB 20-1:1998 4.50 (# 1998:20 Double Ambig)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 952, 953, 952, 953,
igr2= 949, 950, 949, 950,
&end
#
# 62 ARG HB- 62 ARG HG+ 3.50 (# 1999:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 946, 947,
igr2= 949, 950,
&end
#
# 62 ARG HB+ 62 ARG HG+ 3.50 (# 2000:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 946, 947,
igr2= 949, 950,
&end
#
# 62 ARG HB- 62 ARG HG- 4.50 (# 2001:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 946, 947,
igr2= 949, 950,
&end
#
# 62 ARG HB+ 62 ARG HG- 4.50 (# 2002:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 946, 947,
igr2= 949, 950,
&end
#
# 0 AMB 20-2:2003 62 ARG HG- 4.50 (# 2003:20 Single Ambig)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 952, 953, 952, 953, 769, 770,
igr2= 949, 950,
&end
#
# 62 ARG HA 62 ARG HG- 5.50 (# 2004:20 Unique 2.92, 3.76 A)
&rst
ixpk= 2004, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 949, 950,
&end
#
# 51 TYR HE 62 ARG HG- 5.50 (# 2005:20 Unique 3.95, 5.73 A)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 775, 780,
igr2= 949, 950,
&end
#
# 62 ARG HE 62 ARG HG- 5.50 (# 2006:20 Unique 2.43, 3.40 A)
&rst
ixpk= 2006, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 949, 950,
&end
#
# 51 TYR HD 62 ARG HG- 5.50 (# 2007:20 Unique 2.57, 5.21 A)
&rst
ixpk= 2007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 773, 782,
igr2= 949, 950,
&end
#
# 51 TYR HD 62 ARG HG+ 5.50 (# 2008:20 Unique 2.57, 5.21 A)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 773, 782,
igr2= 949, 950,
&end
#
# 62 ARG HN 62 ARG HG- 5.50 (# 2009:20 Unique 1.90, 2.70 A)
&rst
ixpk= 2009, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 949, 950,
&end
#
# 62 ARG HG- 0 AMB 20-1:2010 3.50 (# 2010:20 Single Ambig)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 949, 950,
igr2= 952, 953, 952, 953,
&end
#
# 0 AMB 20-2:2011 0 AMB 20-1:2011 3.50 (# 2011:20 Double Ambig)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 949, 950, 949, 950,
igr2= 952, 953, 952, 953,
&end
#
# 62 ARG HB- 0 AMB 20-1:2012 3.50 (# 2012:20 Single Ambig)
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 946, 947,
igr2= 952, 953, 952, 953,
&end
#
# 0 AMB 20-2:2013 0 AMB 20-1:2013 3.50 (# 2013:20 Double Ambig)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 946, 947, 946, 947,
igr2= 952, 953, 952, 953,
&end
#
# 62 ARG HA 0 AMB 20-1:2015 5.50 (# 2015:20 Single Ambig)
&rst
ixpk= 2015, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 952, 953, 952, 953,
&end
#
# 51 TYR HE 0 AMB 20-1:2018 4.50 (# 2018:20 Single Ambig)
&rst
ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 775, 780,
igr2= 952, 953, 952, 953,
&end
#
# 62 ARG HE 0 AMB 20-1:2019 4.50 (# 2019:20 Single Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 952, 953, 952, 953,
&end
#
# 0 AMB 20-2:2020 0 AMB 20-1:2020 5.50 (# 2020:20 Double Ambig)
&rst
ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 966, 721,
igr2= 952, 953, 952, 953, 952, 953,
&end
#
# 62 ARG HN 0 AMB 20-1:2021 5.50 (# 2021:20 Single Ambig)
&rst
ixpk= 2021, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 952, 953, 952, 953,
&end
#
# 63 LYS HN 63 LYS HA 4.50 (# 2022:20 Unique 2.88, 2.92 A)
&rst
ixpk= 2022, nxpk= 20, iat= 966, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL HN 63 LYS HA 5.50 (# 2023:20 Unique 3.91, 4.21 A)
&rst
ixpk= 2023, nxpk= 20, iat=1000, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 LYS HB+ 63 LYS HA 2.80 (# 2025:20 Unique 2.23, 2.48 A)
&rst
ixpk= 2025, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 970, 971,
&end
#
# 0 AMB 20-2:2026 0 AMB 20-1:2026 4.50 (# 2026:20 Double Ambig)
&rst
ixpk= 2026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 224, 225, 827,1683,1684,
igr2= 341, 968,
&end
#
# 62 ARG HB+ 63 LYS HA 5.50 (# 2027:20 Unique 4.14, 5.10 A)
&rst
ixpk= 2027, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 946, 947,
&end
#
# 0 AMB 20-2:2028 0 AMB 20-1:2028 5.50 (# 2028:20 Double Ambig)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 973, 974, 350, 351, 352, 949, 950,
igr2= 968, 341,
&end
#
# 0 AMB 20-2:2029 63 LYS HA 5.50 (# 2029:20 Single Ambig)
&rst
ixpk= 2029, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 973, 974, 973, 974,
&end
#
# 0 AMB 20-2:2030 0 AMB 20-1:2030 5.50 (# 2030:20 Double Ambig)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
igr1= 949, 950, 329, 330, 331, 333, 334, 335,1006,1007,
1008,1010,1011,1012,1006,1007,1008,1010,1011,1012,
igr2= 968, 341,
&end
#
# 0 AMB 20-2:2031 0 AMB 20-1:2031 5.50 (# 2031:20 Double Ambig)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 895, 896, 897, 899, 900, 901, 829, 830, 831, 833,
834, 835,
igr2= 341, 968,
&end
#
# 63 LYS HA 63 LYS HB+ 3.50 (# 2032:20 Unique 2.23, 2.48 A)
&rst
ixpk= 2032, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 970, 971,
&end
#
# 63 LYS HN 63 LYS HB+ 3.50 (# 2033:20 Unique 2.14, 3.08 A)
&rst
ixpk= 2033, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 970, 971,
&end
#
# 0 AMB 20-2:2034 0 AMB 20-1:2034 5.50 (# 2034:20 Double Ambig)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 979, 980, 979, 980,
igr2= 970, 971, 970, 971,
&end
#
# 63 LYS HN 63 LYS HG+ 4.50 (# 2035:20 Unique 1.91, 3.19 A)
&rst
ixpk= 2035, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 973, 974,
&end
#
# 63 LYS HN 0 AMB 20-1:2036 4.50 (# 2036:20 Single Ambig)
&rst
ixpk= 2036, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 973, 974, 973, 974,
&end
#
# 63 LYS HA 63 LYS HG- 5.50 (# 2037:20 Unique 3.06, 3.72 A)
&rst
ixpk= 2037, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 973, 974,
&end
#
# 63 LYS HA 63 LYS HG+ 5.50 (# 2038:20 Unique 3.06, 3.72 A)
&rst
ixpk= 2038, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 973, 974,
&end
#
# 0 AMB 20-2:2039 63 LYS HG- 5.50 (# 2039:20 Single Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 979, 980, 979, 980,
igr2= 973, 974,
&end
#
# 0 AMB 20-2:2040 0 AMB 20-1:2040 4.50 (# 2040:20 Double Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 979, 980, 979, 980,
igr2= 973, 974, 973, 974,
&end
#
# 63 LYS HB+ 63 LYS HG+ 3.50 (# 2041:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 970, 971,
igr2= 973, 974,
&end
#
# 63 LYS HB+ 63 LYS HG- 4.50 (# 2042:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 970, 971,
igr2= 973, 974,
&end
#
# 63 LYS HN 63 LYS HD- 5.50 (# 2045:20 Unique 1.92, 4.56 A)
&rst
ixpk= 2045, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 976, 977,
&end
#
# 63 LYS HN 63 LYS HD+ 5.50 (# 2046:20 Unique 1.92, 4.56 A)
&rst
ixpk= 2046, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 976, 977,
&end
#
# 0 AMB 20-2:2047 0 AMB 20-1:2047 5.50 (# 2047:20 Double Ambig)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2641, 968,
igr2=2706,2707,2706,2707, 976, 977,
&end
#
# 63 LYS HA 63 LYS HD- 5.50 (# 2048:20 Unique 2.77, 4.76 A)
&rst
ixpk= 2048, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 976, 977,
&end
#
# 0 AMB 20-2:2049 63 LYS HD- 4.50 (# 2049:20 Single Ambig)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 979, 980, 979, 980,
igr2= 976, 977,
&end
#
# 0 AMB 20-2:2050 0 AMB 20-1:2050 3.50 (# 2050:20 Double Ambig)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 973, 974,1456,1457,
igr2= 976, 977,1459,1460,1459,1460,
&end
#
# 63 LYS HG+ 63 LYS HD- 3.50 (# 2051:20 Unique 2.22, 2.65 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 973, 974,
igr2= 976, 977,
&end
#
# 0 AMB 20-2:2052 0 AMB 20-1:2052 5.50 (# 2052:20 Double Ambig)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 990,1503,
igr2= 979, 980, 979, 980,1252,1253,1252,1253,
&end
#
# 63 LYS HA 0 AMB 20-1:2053 5.50 (# 2053:20 Single Ambig)
&rst
ixpk= 2053, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 979, 980, 979, 980,
&end
#
# 0 AMB 20-2:2054 0 AMB 20-1:2054 5.50 (# 2054:20 Double Ambig)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 935, 936, 935, 936,
igr2= 979, 980, 979, 980,
&end
#
# 62 ARG HA 0 AMB 20-1:2055 5.50 (# 2055:20 Single Ambig)
&rst
ixpk= 2055, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 979, 980, 979, 980,
&end
#
# 61 SER HB- 0 AMB 20-1:2056 5.50 (# 2056:20 Single Ambig)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 935, 936,
igr2= 979, 980, 979, 980,
&end
#
# 0 AMB 20-2:2059 0 AMB 20-1:2059 5.50 (# 2059:20 Double Ambig)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2= 992, 993, 992, 993, 992, 993,
&end
#
# 0 AMB 20-2:2060 0 AMB 20-1:2060 5.50 (# 2060:20 Double Ambig)
&rst
ixpk= 2060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
igr1=1740,1741,1742,1744,1745,1746, 829, 830, 831, 833,
834, 835, 829, 830, 831, 833, 834, 835,
igr2= 992, 993, 992, 993, 992, 993, 992, 993,
&end
#
# 104 LEU MDX 0 AMB 20-1:2061 5.50 (# 2061:20 Single Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1724,1725,1726,1728,1729,1730,
igr2= 992, 993, 992, 993,
&end
#
# 0 AMB 20-2:2062 0 AMB 20-1:2062 5.50 (# 2062:20 Double Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1006,1007,1008,1010,1011,1012,1740,1741,1742,1744,
1745,1746,
igr2= 992, 993, 992, 993, 992, 993,
&end
#
# 64 ASP HA 0 AMB 20-1:2063 5.50 (# 2063:20 Single Ambig)
&rst
ixpk= 2063, nxpk= 20, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 992, 993, 992, 993,
&end
#
# 65 VAL HN 0 AMB 20-1:2064 5.50 (# 2064:20 Single Ambig)
&rst
ixpk= 2064, nxpk= 20, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 992, 993, 992, 993,
&end
#
# 64 ASP HN 0 AMB 20-1:2065 5.50 (# 2065:20 Single Ambig)
&rst
ixpk= 2065, nxpk= 20, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 992, 993, 992, 993,
&end
#
# 61 SER HN 0 AMB 20-1:2066 5.50 (# 2066:20 Single Ambig)
&rst
ixpk= 2066, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 992, 993, 992, 993,
&end
#
# 0 AMB 20-2:2067 65 VAL HA 5.50 (# 2067:20 Single Ambig)
&rst
ixpk= 2067, nxpk= 20, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1698,1040,
&end
#
# 105 VAL HN 65 VAL HA 5.50 (# 2068:20 Unique 2.53, 2.96 A)
&rst
ixpk= 2068, nxpk= 20, iat=1734,1002, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ARG HN 65 VAL HA 4.50 (# 2069:20 Unique 2.41, 2.60 A)
&rst
ixpk= 2069, nxpk= 20, iat=1016,1002, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL HN 65 VAL HA 5.50 (# 2070:20 Unique 2.89, 2.92 A)
&rst
ixpk= 2070, nxpk= 20, iat=1000,1002, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 SER HN 65 VAL HA 5.50 (# 2071:20 Unique 4.39, 4.84 A)
&rst
ixpk= 2071, nxpk= 20, iat=1750,1002, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HA 65 VAL HA 5.50 (# 2073:20 Unique 3.43, 3.85 A)
&rst
ixpk= 2073, nxpk= 20, iat=1717,1002, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 VAL HA 65 VAL HA 5.50 (# 2074:20 Unique 4.82, 5.23 A)
&rst
ixpk= 2074, nxpk= 20, iat=1736,1002, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 VAL HB 65 VAL HA 5.50 (# 2075:20 Unique 3.12, 3.74 A)
&rst
ixpk= 2075, nxpk= 20, iat=1738,1002, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL HB 65 VAL HA 5.50 (# 2076:20 Unique 2.40, 2.47 A)
&rst
ixpk= 2076, nxpk= 20, iat=1004,1002, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2077 65 VAL HA 5.50 (# 2077:20 Single Ambig)
&rst
ixpk= 2077, nxpk= 20, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1023,1024, 976, 977, 265, 266,
&end
#
# 102 LEU HB- 65 VAL HA 5.50 (# 2078:20 Unique 3.95, 5.18 A)
&rst
ixpk= 2078, nxpk= 20, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1683,1684,
&end
#
# 0 AMB 20-2:2079 65 VAL HA 3.50 (# 2079:20 Single Ambig)
&rst
ixpk= 2079, nxpk= 20, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1740,1741,1742,1744,1745,1746,1006,1007,1008,1010,
1011,1012,
&end
#
# 105 VAL MGX 65 VAL HA 4.50 (# 2080:20 Unique 1.93, 4.27 A)
&rst
ixpk= 2080, nxpk= 20, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 20-2:2082 65 VAL HA 5.50 (# 2082:20 Single Ambig)
&rst
ixpk= 2082, nxpk= 20, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1020,1021,1050,1051,
&end
#
# 66 ARG HN 65 VAL HB 5.50 (# 2083:20 Unique 1.86, 2.01 A)
&rst
ixpk= 2083, nxpk= 20, iat=1016,1004, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL HA 65 VAL HB 5.50 (# 2084:20 Unique 2.40, 2.47 A)
&rst
ixpk= 2084, nxpk= 20, iat=1002,1004, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LEU HB- 65 VAL HB 5.50 (# 2085:20 Unique 1.97, 3.34 A)
&rst
ixpk= 2085, nxpk= 20, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1683,1684,
&end
#
# 0 AMB 20-2:2086 65 VAL HB 4.50 (# 2086:20 Single Ambig)
&rst
ixpk= 2086, nxpk= 20, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1006,1007,1008,1010,1011,1012,1006,1007,1008,1010,
1011,1012,
&end
#
# 60 LEU MDX 65 VAL MGX 5.50 (# 2087:20 Unique 2.20, 6.49 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 921, 922, 923, 925, 926, 927,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 0 AMB 20-2:2088 65 VAL MGX 3.50 (# 2088:20 Single Ambig)
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 829, 830, 831, 833, 834, 835, 829, 830, 831, 833,
834, 835, 227, 228, 229,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 0 AMB 20-2:2089 65 VAL MGX 5.50 (# 2089:20 Single Ambig)
&rst
ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1719,1720, 973, 974, 973, 974, 350, 351, 352,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 65 VAL HB 65 VAL MGX 3.50 (# 2090:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2090, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 62 ARG HA 65 VAL MGX 4.50 (# 2091:20 Unique 1.96, 3.60 A)
&rst
ixpk= 2091, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 65 VAL HA 65 VAL MGX 5.50 (# 2092:20 Unique 2.25, 3.47 A)
&rst
ixpk= 2092, nxpk= 20, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 51 TYR HE 65 VAL MGX 4.50 (# 2093:20 Unique 1.94, 5.73 A)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 775, 780,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 51 TYR HD 65 VAL MGX 5.50 (# 2094:20 Unique 2.08, 5.82 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 773, 782,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 65 VAL HN 65 VAL MGX 3.50 (# 2095:20 Unique 2.03, 3.56 A)
&rst
ixpk= 2095, nxpk= 20, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 64 ASP HN 65 VAL MGX 5.50 (# 2096:20 Unique 2.55, 4.16 A)
&rst
ixpk= 2096, nxpk= 20, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 0 AMB 20-2:2097 65 VAL MGX 5.50 (# 2097:20 Single Ambig)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1040,1698,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 103 GLN HN 0 AMB 20-1:2098 5.50 (# 2098:20 Single Ambig)
&rst
ixpk= 2098, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1006,1007,1008,1010,1011,1012,1740,1741,1742,1744,
1745,1746,
&end
#
# 105 VAL HN 105 VAL MGY 4.50 (# 2099:20 Unique 1.98, 3.73 A)
&rst
ixpk= 2099, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 20-2:2100 0 AMB 20-1:2100 5.50 (# 2100:20 Double Ambig)
&rst
ixpk= 2100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1715, 874,
igr2=1740,1741,1742,1744,1745,1746,1878,1879,1880,1006,
1007,1008,1010,1011,1012,
&end
#
# 66 ARG HN 0 AMB 20-1:2101 4.50 (# 2101:20 Single Ambig)
&rst
ixpk= 2101, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1006,1007,1008,1010,1011,1012,1740,1741,1742,1744,
1745,1746,
&end
#
# 0 AMB 20-2:2102 0 AMB 20-1:2102 4.50 (# 2102:20 Double Ambig)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1000,1833,1834,
igr2=1006,1007,1008,1010,1011,1012,1878,1879,1880,
&end
#
# 51 TYR HD 65 VAL MGY 5.50 (# 2103:20 Unique 2.08, 5.82 A)
&rst
ixpk= 2103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 773, 782,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 65 VAL HA 0 AMB 20-1:2104 4.50 (# 2104:20 Single Ambig)
&rst
ixpk= 2104, nxpk= 20, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1740,1741,1742,1744,1745,1746,1006,1007,1008,1010,
1011,1012,
&end
#
# 0 AMB 20-2:2105 0 AMB 20-1:2105 4.50 (# 2105:20 Double Ambig)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1717,1888, 914,1857,
igr2=1006,1007,1008,1010,1011,1012,1878,1879,1880,1740,
1741,1742,1744,1745,1746,
&end
#
# 105 VAL HA 105 VAL MGY 3.50 (# 2106:20 Unique 2.18, 3.17 A)
&rst
ixpk= 2106, nxpk= 20, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 20-2:2107 0 AMB 20-1:2107 5.50 (# 2107:20 Double Ambig)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1026,1027,1026,1027,1026,1027,
igr2=1740,1741,1742,1744,1745,1746,1006,1007,1008,1010,
1011,1012,
&end
#
# 105 VAL HB 105 VAL MGY 2.80 (# 2108:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2108, nxpk= 20, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 65 VAL HB 65 VAL MGY 3.50 (# 2109:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2109, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 0 AMB 20-2:2110 0 AMB 20-1:2110 5.50 (# 2110:20 Double Ambig)
&rst
ixpk= 2110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 218,1842,1843,1842,1843,1044,
igr2=1006,1007,1008,1010,1011,1012,1878,1879,1880,
&end
#
# 66 ARG HB+ 105 VAL MGY 4.50 (# 2111:20 Unique 2.35, 4.34 A)
&rst
ixpk= 2111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1020,1021,
igr2=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 20-2:2112 0 AMB 20-1:2112 4.50 (# 2112:20 Double Ambig)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 827,1020,1021,1683,1684,
igr2=1006,1007,1008,1010,1011,1012,1740,1741,1742,1744,
1745,1746,
&end
#
# 102 LEU HG 65 VAL MGY 4.50 (# 2113:20 Unique 1.99, 5.07 A)
&rst
ixpk= 2113, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 0 AMB 20-2:2114 65 VAL MGY 4.50 (# 2114:20 Single Ambig)
&rst
ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1683,1684, 949, 950,
igr2=1006,1007,1008,1010,1011,1012,
&end
#
# 0 AMB 20-2:2115 0 AMB 20-1:2115 5.50 (# 2115:20 Double Ambig)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1740,1741,1742,1744,1745,1746,1068,1069,1070,1072,
1073,1074,
igr2=1020,1021,1020,1021,
&end
#
# 0 AMB 20-2:2116 66 ARG HB- 5.50 (# 2116:20 Single Ambig)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1740,1741,1742,1744,1745,1746,1068,1069,1070,1072,
1073,1074,
igr2=1020,1021,
&end
#
# 105 VAL MGY 66 ARG HB+ 5.50 (# 2117:20 Unique 2.35, 4.34 A)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1740,1741,1742,1744,1745,1746,
igr2=1020,1021,
&end
#
# 105 VAL MGY 66 ARG HB- 5.50 (# 2118:20 Unique 2.35, 4.34 A)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1740,1741,1742,1744,1745,1746,
igr2=1020,1021,
&end
#
# 0 AMB 20-2:2119 0 AMB 20-1:2119 4.50 (# 2119:20 Double Ambig)
&rst
ixpk= 2119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1026,1027,1026,1027,
igr2=1020,1021,1020,1021,
&end
#
# 0 AMB 20-2:2120 66 ARG HB- 5.50 (# 2120:20 Single Ambig)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1026,1027,1026,1027,
igr2=1020,1021,
&end
#
# 66 ARG HA 66 ARG HB+ 5.50 (# 2121:20 Unique 2.32, 2.68 A)
&rst
ixpk= 2121, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 104 LEU HA 66 ARG HB+ 5.50 (# 2123:20 Unique 5.15, 6.20 A)
&rst
ixpk= 2123, nxpk= 20, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 104 LEU HA 66 ARG HB- 5.50 (# 2124:20 Unique 5.15, 6.20 A)
&rst
ixpk= 2124, nxpk= 20, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 66 ARG HE 66 ARG HB- 5.50 (# 2125:20 Unique 3.98, 4.35 A)
&rst
ixpk= 2125, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 66 ARG HN 66 ARG HB+ 5.50 (# 2127:20 Unique 2.66, 3.18 A)
&rst
ixpk= 2127, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 66 ARG HN 66 ARG HB- 5.50 (# 2128:20 Unique 2.66, 3.18 A)
&rst
ixpk= 2128, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 0 AMB 20-2:2129 0 AMB 20-1:2129 5.50 (# 2129:20 Double Ambig)
&rst
ixpk= 2129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1040,1698,
igr2=1023,1024,1023,1024,
&end
#
# 0 AMB 20-2:2130 66 ARG HG- 5.50 (# 2130:20 Single Ambig)
&rst
ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1040,1698,
igr2=1023,1024,
&end
#
# 66 ARG HN 66 ARG HG+ 5.50 (# 2131:20 Unique 4.15, 4.63 A)
&rst
ixpk= 2131, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1023,1024,
&end
#
# 66 ARG HN 66 ARG HG- 5.50 (# 2132:20 Unique 4.15, 4.63 A)
&rst
ixpk= 2132, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1023,1024,
&end
#
# 0 AMB 20-2:2133 0 AMB 20-1:2133 5.50 (# 2133:20 Double Ambig)
&rst
ixpk= 2133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1029, 446, 454,
igr2=1023,1024,1926,1927,
&end
#
# 66 ARG HE 66 ARG HG- 5.50 (# 2134:20 Unique 2.09, 2.75 A)
&rst
ixpk= 2134, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1023,1024,
&end
#
# 66 ARG HA 66 ARG HG+ 5.50 (# 2135:20 Unique 3.19, 3.57 A)
&rst
ixpk= 2135, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1023,1024,
&end
#
# 66 ARG HA 66 ARG HG- 5.50 (# 2136:20 Unique 3.19, 3.57 A)
&rst
ixpk= 2136, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1023,1024,
&end
#
# 0 AMB 20-2:2137 66 ARG HG- 3.50 (# 2137:20 Single Ambig)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1026,1027,1026,1027,
igr2=1023,1024,
&end
#
# 0 AMB 20-2:2138 0 AMB 20-1:2138 2.80 (# 2138:20 Double Ambig)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1026,1027,1026,1027,
igr2=1023,1024,1023,1024,
&end
#
# 68 LEU MDY 66 ARG HG+ 3.50 (# 2139:20 Unique 1.86, 4.81 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1068,1069,1070,1072,1073,1074,
igr2=1023,1024,
&end
#
# 68 LEU MDY 66 ARG HG- 4.50 (# 2140:20 Unique 1.86, 4.81 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1068,1069,1070,1072,1073,1074,
igr2=1023,1024,
&end
#
# 0 AMB 20-2:2141 82 ARG HG- 3.50 (# 2141:20 Single Ambig)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,
igr2=1323,1324,
&end
#
# 105 VAL MGY 66 ARG HG- 3.50 (# 2142:20 Unique 3.99, 6.24 A)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1740,1741,1742,1744,1745,1746,
igr2=1023,1024,
&end
#
# 67 ILE HN 0 AMB 20-1:2143 5.50 (# 2143:20 Single Ambig)
&rst
ixpk= 2143, nxpk= 20, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1026,1027,1026,1027,
&end
#
# 0 AMB 20-2:2144 0 AMB 20-1:2144 4.50 (# 2144:20 Double Ambig)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 495,2311,
igr2= 400, 401, 400, 401,2321,2322,
&end
#
# 66 ARG HE 0 AMB 20-1:2145 3.50 (# 2145:20 Single Ambig)
&rst
ixpk= 2145, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1026,1027,1026,1027,
&end
#
# 159 GLN HE2- 0 AMB 20-1:2146 4.50 (# 2146:20 Single Ambig)
&rst
ixpk= 2146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2634,2635,
igr2= 268, 269, 268, 269,
&end
#
# 66 ARG HG- 0 AMB 20-1:2147 4.50 (# 2147:20 Single Ambig)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1023,1024,
igr2=1026,1027,1026,1027,
&end
#
# 67 ILE QG2 67 ILE HA 4.50 (# 2148:20 Unique 2.10, 2.98 A)
&rst
ixpk= 2148, nxpk= 20, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1046,1047,1048,
&end
#
# 102 LEU MDY 67 ILE HA 4.50 (# 2149:20 Unique 1.94, 4.16 A)
&rst
ixpk= 2149, nxpk= 20, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1688,1689,1690,1692,1693,1694,
&end
#
# 67 ILE HG1+ 67 ILE HA 4.50 (# 2150:20 Unique 2.52, 2.96 A)
&rst
ixpk= 2150, nxpk= 20, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1050,1051,
&end
#
# 67 ILE HG1- 67 ILE HA 5.50 (# 2151:20 Unique 2.52, 2.96 A)
&rst
ixpk= 2151, nxpk= 20, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1050,1051,
&end
#
# 0 AMB 20-2:2152 0 AMB 20-1:2152 5.50 (# 2152:20 Double Ambig)
&rst
ixpk= 2152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 933,1018,
igr2= 767,1042,
&end
#
# 68 LEU HN 67 ILE HB 5.50 (# 2153:20 Unique 4.13, 4.26 A)
&rst
ixpk= 2153, nxpk= 20, iat=1059,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HN 67 ILE HB 4.50 (# 2154:20 Unique 2.58, 2.71 A)
&rst
ixpk= 2154, nxpk= 20, iat=1040,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ILE HA 67 ILE HB 5.50 (# 2156:20 Unique 2.95, 3.01 A)
&rst
ixpk= 2156, nxpk= 20, iat=1042,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HG1- 67 ILE HB 5.50 (# 2157:20 Unique 2.44, 2.79 A)
&rst
ixpk= 2157, nxpk= 20, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1050,1051,
&end
#
# 67 ILE QG2 67 ILE HB 3.50 (# 2158:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2158, nxpk= 20, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1046,1047,1048,
&end
#
# 67 ILE QD1 67 ILE HB 4.50 (# 2159:20 Unique 2.03, 3.03 A)
&rst
ixpk= 2159, nxpk= 20, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1053,1054,1055,
&end
#
# 67 ILE HG1+ 67 ILE HB 4.50 (# 2160:20 Unique 2.44, 2.79 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1050,1051,
&end
#
# 0 AMB 20-2:2162 67 ILE HG1- 4.50 (# 2162:20 Single Ambig)
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1688,1689,1690,1692,1693,1694,1053,1054,1055,
igr2=1050,1051,
&end
#
# 0 AMB 20-2:2163 0 AMB 20-1:2163 3.50 (# 2163:20 Double Ambig)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2321,2322,2394,2395,2394,2395, 460, 461,
igr2=2192,2193,2391,2392, 421, 422,
&end
#
# 0 AMB 20-2:2164 0 AMB 20-1:2164 4.50 (# 2164:20 Double Ambig)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2187,1042,
igr2=2192,2193,1050,1051,
&end
#
# 67 ILE HN 67 ILE HG1- 5.50 (# 2165:20 Unique 1.83, 2.71 A)
&rst
ixpk= 2165, nxpk= 20, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1050,1051,
&end
#
# 67 ILE HN 67 ILE QD1 4.50 (# 2166:20 Unique 2.45, 3.94 A)
&rst
ixpk= 2166, nxpk= 20, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1053,1054,1055,
&end
#
# 0 AMB 20-2:2167 67 ILE QD1 4.50 (# 2167:20 Single Ambig)
&rst
ixpk= 2167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1029, 773, 782,
igr2=1053,1054,1055,
&end
#
# 51 TYR HE 67 ILE QD1 5.50 (# 2168:20 Unique 3.53, 4.85 A)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 775, 780,
igr2=1053,1054,1055,
&end
#
# 67 ILE HA 67 ILE QD1 5.50 (# 2170:20 Unique 4.31, 4.68 A)
&rst
ixpk= 2170, nxpk= 20, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1053,1054,1055,
&end
#
# 67 ILE HB 67 ILE QD1 3.50 (# 2171:20 Unique 2.03, 3.03 A)
&rst
ixpk= 2171, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1053,1054,1055,
&end
#
# 67 ILE HG1- 67 ILE QD1 2.80 (# 2172:20 Unique 2.20, 2.62 A)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1050,1051,
igr2=1053,1054,1055,
&end
#
# 47 GLU HG+ 67 ILE QD1 5.50 (# 2173:20 Unique 2.68, 5.03 A)
&rst
ixpk= 2173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 713, 714,
igr2=1053,1054,1055,
&end
#
# 67 ILE QG2 67 ILE QD1 3.50 (# 2175:20 Unique 2.07, 3.91 A)
&rst
ixpk= 2175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1046,1047,1048,
igr2=1053,1054,1055,
&end
#
# 67 ILE HG1+ 67 ILE QD1 4.50 (# 2176:20 Unique 2.20, 2.62 A)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1050,1051,
igr2=1053,1054,1055,
&end
#
# 50 MET ME 67 ILE QD1 3.50 (# 2177:20 Unique 1.98, 4.67 A)
&rst
ixpk= 2177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 759, 760, 761,
igr2=1053,1054,1055,
&end
#
# 68 LEU HN 67 ILE QG2 4.50 (# 2178:20 Unique 2.57, 4.02 A)
&rst
ixpk= 2178, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1046,1047,1048,
&end
#
# 0 AMB 20-2:2179 67 ILE QG2 4.50 (# 2179:20 Single Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1040,1698,
igr2=1046,1047,1048,
&end
#
# 101 LEU HN 67 ILE QG2 5.50 (# 2180:20 Unique 3.84, 5.31 A)
&rst
ixpk= 2180, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1046,1047,1048,
&end
#
# 69 ALA HN 67 ILE QG2 4.50 (# 2181:20 Unique 2.31, 4.09 A)
&rst
ixpk= 2181, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1046,1047,1048,
&end
#
# 66 ARG HE 67 ILE QG2 4.50 (# 2182:20 Unique 4.69, 5.36 A)
&rst
ixpk= 2182, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1046,1047,1048,
&end
#
# 102 LEU HA 67 ILE QG2 5.50 (# 2183:20 Unique 4.18, 5.27 A)
&rst
ixpk= 2183, nxpk= 20, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1046,1047,1048,
&end
#
# 69 ALA HA 67 ILE QG2 5.50 (# 2185:20 Unique 4.24, 5.35 A)
&rst
ixpk= 2185, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1046,1047,1048,
&end
#
# 68 LEU HA 67 ILE QG2 5.50 (# 2186:20 Unique 4.15, 5.27 A)
&rst
ixpk= 2186, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1046,1047,1048,
&end
#
# 67 ILE HA 67 ILE QG2 4.50 (# 2187:20 Unique 2.10, 2.98 A)
&rst
ixpk= 2187, nxpk= 20, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1046,1047,1048,
&end
#
# 70 SER HB+ 67 ILE QG2 5.50 (# 2188:20 Unique 3.17, 4.80 A)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1092,1093,
igr2=1046,1047,1048,
&end
#
# 70 SER HB- 67 ILE QG2 5.50 (# 2189:20 Unique 3.17, 4.80 A)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1092,1093,
igr2=1046,1047,1048,
&end
#
# 0 AMB 20-2:2190 67 ILE QG2 5.50 (# 2190:20 Single Ambig)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1644,1645,1644,1645,
igr2=1046,1047,1048,
&end
#
# 67 ILE HB 67 ILE QG2 3.50 (# 2191:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2191, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1046,1047,1048,
&end
#
# 67 ILE HG1- 67 ILE QG2 4.50 (# 2192:20 Unique 1.95, 3.39 A)
&rst
ixpk= 2192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1050,1051,
igr2=1046,1047,1048,
&end
#
# 0 AMB 20-2:2193 67 ILE QG2 5.50 (# 2193:20 Single Ambig)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1063,1064,1082,1083,1084,
igr2=1046,1047,1048,
&end
#
# 50 MET ME 67 ILE QG2 5.50 (# 2194:20 Unique 2.59, 4.83 A)
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 759, 760, 761,
igr2=1046,1047,1048,
&end
#
# 0 AMB 20-2:2195 67 ILE QG2 3.50 (# 2195:20 Single Ambig)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1050,1051,1688,1689,1690,1692,1693,1694,
igr2=1046,1047,1048,
&end
#
# 68 LEU HN 68 LEU HB+ 5.50 (# 2196:20 Unique 2.17, 2.86 A)
&rst
ixpk= 2196, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1064,
&end
#
# 68 LEU HN 68 LEU HB- 5.50 (# 2197:20 Unique 2.17, 2.86 A)
&rst
ixpk= 2197, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1064,
&end
#
# 69 ALA HN 68 LEU HB+ 5.50 (# 2198:20 Unique 2.84, 3.26 A)
&rst
ixpk= 2198, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1064,
&end
#
# 69 ALA HN 68 LEU HB- 5.50 (# 2199:20 Unique 2.84, 3.26 A)
&rst
ixpk= 2199, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1064,
&end
#
# 68 LEU HA 68 LEU HB+ 5.50 (# 2200:20 Unique 2.29, 2.81 A)
&rst
ixpk= 2200, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1064,
&end
#
# 68 LEU HA 68 LEU HB- 5.50 (# 2201:20 Unique 2.29, 2.81 A)
&rst
ixpk= 2201, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1064,
&end
#
# 0 AMB 20-2:2202 60 LEU HB- 5.50 (# 2202:20 Single Ambig)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 824, 825,1686,
igr2= 916, 917,
&end
#
# 66 ARG HG+ 68 LEU HB- 5.50 (# 2203:20 Unique 3.32, 5.09 A)
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1023,1024,
igr2=1063,1064,
&end
#
# 0 AMB 20-2:2204 0 AMB 20-1:2204 5.50 (# 2204:20 Double Ambig)
&rst
ixpk= 2204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=2549,2550,2551,2553,2554,2555,1667,1664,1665,
igr2=1063,1064,1063,1064,1063,1064,
&end
#
# 0 AMB 20-2:2205 68 LEU HB- 5.50 (# 2205:20 Single Ambig)
&rst
ixpk= 2205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2549,2550,2551,2553,2554,2555,1667,1664,1665,
igr2=1063,1064,
&end
#
# 0 AMB 20-2:2206 0 AMB 20-1:2206 4.50 (# 2206:20 Double Ambig)
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 829, 830, 831, 833, 834, 835,1068,1069,1070,1072,
1073,1074,
igr2= 916, 917,1063,1064,
&end
#
# 68 LEU MDY 68 LEU HB- 4.50 (# 2207:20 Unique 2.16, 3.35 A)
&rst
ixpk= 2207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1068,1069,1070,1072,1073,1074,
igr2=1063,1064,
&end
#
# 68 LEU HG 68 LEU HB- 4.50 (# 2208:20 Unique 2.24, 2.62 A)
&rst
ixpk= 2208, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1063,1064,
&end
#
# 101 LEU MDY 68 LEU HB+ 5.50 (# 2209:20 Unique 2.17, 5.33 A)
&rst
ixpk= 2209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2=1063,1064,
&end
#
# 101 LEU MDY 68 LEU HB- 5.50 (# 2210:20 Unique 2.17, 5.33 A)
&rst
ixpk= 2210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2=1063,1064,
&end
#
# 0 AMB 20-2:2211 0 AMB 20-1:2211 4.50 (# 2211:20 Double Ambig)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1669,1670,1671,1673,1674,1675,1066,
igr2=1063,1064,1063,1064,
&end
#
# 101 LEU MDY 68 LEU HG 5.50 (# 2213:20 Unique 4.12, 6.99 A)
&rst
ixpk= 2213, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:2214 68 LEU HG 4.50 (# 2214:20 Single Ambig)
&rst
ixpk= 2214, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2549,2550,2551,2553,2554,2555,1667,2565,2566,2567,
2569,2570,2571,
&end
#
# 158 LEU MDY 68 LEU HG 3.50 (# 2215:20 Unique 2.31, 5.74 A)
&rst
ixpk= 2215, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2612,2613,2614,2616,2617,2618,
&end
#
# 68 LEU HB- 68 LEU HG 4.50 (# 2216:20 Unique 2.24, 2.62 A)
&rst
ixpk= 2216, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1063,1064,
&end
#
# 68 LEU HB+ 68 LEU HG 4.50 (# 2217:20 Unique 2.24, 2.62 A)
&rst
ixpk= 2217, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1063,1064,
&end
#
# 66 ARG HG+ 68 LEU HG 4.50 (# 2218:20 Unique 1.99, 3.35 A)
&rst
ixpk= 2218, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1023,1024,
&end
#
# 103 GLN HB+ 68 LEU HG 4.50 (# 2219:20 Unique 2.63, 3.90 A)
&rst
ixpk= 2219, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1702,1703,
&end
#
# 0 AMB 20-2:2220 68 LEU HG 5.50 (# 2220:20 Single Ambig)
&rst
ixpk= 2220, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1705,1706,1705,1706,
&end
#
# 0 AMB 20-2:2221 68 LEU HG 5.50 (# 2221:20 Single Ambig)
&rst
ixpk= 2221, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1026,1027,1026,1027,
&end
#
# 68 LEU HA 68 LEU HG 5.50 (# 2223:20 Unique 2.71, 3.09 A)
&rst
ixpk= 2223, nxpk= 20, iat=1061,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HA 68 LEU HG 5.50 (# 2224:20 Unique 4.90, 5.38 A)
&rst
ixpk= 2224, nxpk= 20, iat=1700,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HE2- 68 LEU HG 5.50 (# 2225:20 Unique 3.28, 5.05 A)
&rst
ixpk= 2225, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1710,1711,
&end
#
# 69 ALA HN 68 LEU HG 5.50 (# 2226:20 Unique 4.46, 5.09 A)
&rst
ixpk= 2226, nxpk= 20, iat=1078,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2227 68 LEU HG 5.50 (# 2227:20 Single Ambig)
&rst
ixpk= 2227, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1698,1040,
&end
#
# 68 LEU HN 68 LEU HG 5.50 (# 2228:20 Unique 3.34, 3.86 A)
&rst
ixpk= 2228, nxpk= 20, iat=1059,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2229 75 LEU MDY 5.50 (# 2229:20 Single Ambig)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1137,1151,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 147 VAL HN 75 LEU MDY 5.50 (# 2230:20 Unique 3.10, 6.54 A)
&rst
ixpk= 2230, nxpk= 20, iat=2432, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2231 75 LEU MDY 5.50 (# 2231:20 Single Ambig)
&rst
ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1146,1147,2408,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2232 0 AMB 20-1:2232 5.50 (# 2232:20 Double Ambig)
&rst
ixpk= 2232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1624,1710,1711,
igr2=1184,1185,1186,1188,1189,1190,1068,1069,1070,1072,
1073,1074,
&end
#
# 0 AMB 20-2:2233 0 AMB 20-1:2233 5.50 (# 2233:20 Double Ambig)
&rst
ixpk= 2233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
igr1=1029,1710,1711,1226,1235,
igr2=1068,1069,1070,1072,1073,1074,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 20-2:2234 75 LEU MDY 5.50 (# 2234:20 Single Ambig)
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1103,1153,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 143 VAL HA 75 LEU MDY 5.50 (# 2235:20 Unique 3.15, 5.90 A)
&rst
ixpk= 2235, nxpk= 20, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2236 75 LEU MDY 5.50 (# 2236:20 Single Ambig)
&rst
ixpk= 2236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1141,1142,2434,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2237 75 LEU MDY 5.50 (# 2237:20 Single Ambig)
&rst
ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=2351,2469,2470,2455,2456,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 150 GLU HG+ 75 LEU MDY 5.50 (# 2238:20 Unique 3.49, 6.32 A)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2494,2495,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2239 68 LEU MDX 5.50 (# 2239:20 Single Ambig)
&rst
ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1082,1083,1084,1063,1064,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 147 VAL MGY 75 LEU MDY 4.50 (# 2240:20 Unique 2.71, 7.24 A)
&rst
ixpk= 2240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2438,2439,2440,2442,2443,2444,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 84 VAL MGX 79 LEU MDX 5.50 (# 2243:20 Unique 1.97, 5.69 A)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 68 LEU HN 68 LEU MDY 5.50 (# 2244:20 Unique 1.79, 4.93 A)
&rst
ixpk= 2244, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 103 GLN HN 68 LEU MDY 5.50 (# 2245:20 Unique 1.99, 6.18 A)
&rst
ixpk= 2245, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 69 ALA HN 68 LEU MDY 5.50 (# 2247:20 Unique 1.99, 5.59 A)
&rst
ixpk= 2247, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 68 LEU HA 68 LEU MDY 2.80 (# 2248:20 Unique 1.99, 3.52 A)
&rst
ixpk= 2248, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 67 ILE HA 68 LEU MDY 5.50 (# 2249:20 Unique 3.17, 6.59 A)
&rst
ixpk= 2249, nxpk= 20, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 0 AMB 20-2:2250 68 LEU MDY 4.50 (# 2250:20 Single Ambig)
&rst
ixpk= 2250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1026,1027,1026,1027,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 68 LEU HB- 68 LEU MDY 4.50 (# 2252:20 Unique 2.16, 3.35 A)
&rst
ixpk= 2252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1063,1064,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 0 AMB 20-2:2253 68 LEU MDY 4.50 (# 2253:20 Single Ambig)
&rst
ixpk= 2253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1082,1083,1084,1063,1064,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 66 ARG HG+ 68 LEU MDY 2.80 (# 2254:20 Unique 1.86, 4.81 A)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1023,1024,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 66 ARG HB+ 68 LEU MDY 3.50 (# 2255:20 Unique 3.33, 6.70 A)
&rst
ixpk= 2255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1020,1021,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 0 AMB 20-2:2256 68 LEU MDY 5.50 (# 2256:20 Single Ambig)
&rst
ixpk= 2256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1705,1706,1705,1706,
igr2=1068,1069,1070,1072,1073,1074,
&end
#
# 70 SER HN 69 ALA HA 3.50 (# 2257:20 Unique 2.24, 2.43 A)
&rst
ixpk= 2257, nxpk= 20, iat=1088,1080, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 ALA HN 69 ALA HA 5.50 (# 2258:20 Unique 2.88, 2.92 A)
&rst
ixpk= 2258, nxpk= 20, iat=1078,1080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 ALA MB 69 ALA HA 3.50 (# 2260:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2260, nxpk= 20, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1082,1083,1084,
&end
#
# 0 AMB 20-2:2261 69 ALA HA 5.50 (# 2261:20 Single Ambig)
&rst
ixpk= 2261, nxpk= 20, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1664,1665,1068,1069,1070,1072,1073,1074,
&end
#
# 154 VAL MGY 69 ALA HA 5.50 (# 2262:20 Unique 3.34, 5.36 A)
&rst
ixpk= 2262, nxpk= 20, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2549,2550,2551,2553,2554,2555,
&end
#
# 68 LEU MDY 69 ALA HA 5.50 (# 2263:20 Unique 3.83, 6.72 A)
&rst
ixpk= 2263, nxpk= 20, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1068,1069,1070,1072,1073,1074,
&end
#
# 101 LEU HB- 69 ALA MB 5.50 (# 2264:20 Unique 1.98, 3.06 A)
&rst
ixpk= 2264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1664,1665,
igr2=1082,1083,1084,
&end
#
# 101 LEU MDY 69 ALA MB 3.50 (# 2266:20 Unique 1.99, 4.99 A)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1669,1670,1671,1673,1674,1675,
igr2=1082,1083,1084,
&end
#
# 101 LEU MDX 69 ALA MB 4.50 (# 2267:20 Unique 1.99, 4.99 A)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1669,1670,1671,1673,1674,1675,
igr2=1082,1083,1084,
&end
#
# 154 VAL MGY 69 ALA MB 3.50 (# 2268:20 Unique 1.98, 4.10 A)
&rst
ixpk= 2268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2549,2550,2551,2553,2554,2555,
igr2=1082,1083,1084,
&end
#
# 0 AMB 20-2:2269 69 ALA MB 2.80 (# 2269:20 Single Ambig)
&rst
ixpk= 2269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1664,1665,2549,2550,2551,2553,2554,2555,1667,
igr2=1082,1083,1084,
&end
#
# 154 VAL HB 69 ALA MB 5.50 (# 2270:20 Unique 3.17, 4.22 A)
&rst
ixpk= 2270, nxpk= 20, iat=2547, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 0 AMB 20-2:2271 69 ALA MB 5.50 (# 2271:20 Single Ambig)
&rst
ixpk= 2271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1092,1093,1620,1621,
igr2=1082,1083,1084,
&end
#
# 151 PHE HB+ 69 ALA MB 5.50 (# 2272:20 Unique 2.19, 3.78 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2506,2507,
igr2=1082,1083,1084,
&end
#
# 154 VAL HA 69 ALA MB 5.50 (# 2273:20 Unique 4.99, 6.16 A)
&rst
ixpk= 2273, nxpk= 20, iat=2545, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 68 LEU HA 69 ALA MB 5.50 (# 2274:20 Unique 4.80, 5.70 A)
&rst
ixpk= 2274, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 69 ALA HA 69 ALA MB 2.80 (# 2275:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2275, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1082,1083,1084,
&end
#
# 101 LEU HA 69 ALA MB 5.50 (# 2277:20 Unique 4.49, 5.46 A)
&rst
ixpk= 2277, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 70 SER HA 69 ALA MB 5.50 (# 2278:20 Unique 3.92, 4.83 A)
&rst
ixpk= 2278, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 103 GLN HE2- 69 ALA MB 5.50 (# 2279:20 Unique 4.52, 7.22 A)
&rst
ixpk= 2279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1710,1711,
igr2=1082,1083,1084,
&end
#
# 154 VAL HN 69 ALA MB 5.50 (# 2280:20 Unique 5.61, 6.27 A)
&rst
ixpk= 2280, nxpk= 20, iat=2543, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 69 ALA HN 69 ALA MB 4.50 (# 2281:20 Unique 2.56, 3.34 A)
&rst
ixpk= 2281, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1082,1083,1084,
&end
#
# 70 SER HN 69 ALA MB 3.50 (# 2282:20 Unique 1.95, 3.24 A)
&rst
ixpk= 2282, nxpk= 20, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1082,1083,1084,
&end
#
# 101 LEU HN 69 ALA MB 5.50 (# 2283:20 Unique 2.52, 4.17 A)
&rst
ixpk= 2283, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 71 THR HN 69 ALA MB 5.50 (# 2284:20 Unique 5.03, 6.36 A)
&rst
ixpk= 2284, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 68 LEU HN 69 ALA MB 5.50 (# 2285:20 Unique 4.23, 5.21 A)
&rst
ixpk= 2285, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 71 THR HN 70 SER HA 4.50 (# 2287:20 Unique 2.15, 2.23 A)
&rst
ixpk= 2287, nxpk= 20, iat=1099,1090, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 LEU HN 70 SER HA 5.50 (# 2288:20 Unique 2.05, 2.86 A)
&rst
ixpk= 2288, nxpk= 20, iat=1660,1090, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 SER HN 70 SER HA 5.50 (# 2289:20 Unique 2.88, 2.89 A)
&rst
ixpk= 2289, nxpk= 20, iat=1088,1090, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 SER HB+ 70 SER HA 5.50 (# 2293:20 Unique 2.25, 2.49 A)
&rst
ixpk= 2293, nxpk= 20, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1092,1093,
&end
#
# 70 SER HB- 70 SER HA 5.50 (# 2294:20 Unique 2.25, 2.49 A)
&rst
ixpk= 2294, nxpk= 20, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1092,1093,
&end
#
# 0 AMB 20-2:2295 70 SER HA 5.50 (# 2295:20 Single Ambig)
&rst
ixpk= 2295, nxpk= 20, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1644,1645,1644,1645,
&end
#
# 69 ALA MB 70 SER HA 5.50 (# 2296:20 Unique 3.92, 4.83 A)
&rst
ixpk= 2296, nxpk= 20, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1082,1083,1084,
&end
#
# 71 THR MG2 70 SER HA 5.50 (# 2297:20 Unique 3.79, 5.59 A)
&rst
ixpk= 2297, nxpk= 20, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1105,1106,1107,
&end
#
# 101 LEU HB+ 70 SER HA 5.50 (# 2298:20 Unique 3.42, 4.75 A)
&rst
ixpk= 2298, nxpk= 20, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1665,
&end
#
# 71 THR HN 70 SER HB+ 5.50 (# 2299:20 Unique 2.30, 3.48 A)
&rst
ixpk= 2299, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1092,1093,
&end
#
# 71 THR HN 70 SER HB- 5.50 (# 2300:20 Unique 2.30, 3.48 A)
&rst
ixpk= 2300, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1092,1093,
&end
#
# 101 LEU HN 70 SER HB+ 5.50 (# 2301:20 Unique 3.55, 4.90 A)
&rst
ixpk= 2301, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1092,1093,
&end
#
# 101 LEU HN 70 SER HB- 5.50 (# 2302:20 Unique 3.55, 4.90 A)
&rst
ixpk= 2302, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1092,1093,
&end
#
# 70 SER HN 70 SER HB+ 5.50 (# 2303:20 Unique 2.98, 3.67 A)
&rst
ixpk= 2303, nxpk= 20, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1092,1093,
&end
#
# 70 SER HN 70 SER HB- 5.50 (# 2304:20 Unique 2.98, 3.67 A)
&rst
ixpk= 2304, nxpk= 20, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1092,1093,
&end
#
# 70 SER HA 70 SER HB+ 5.50 (# 2309:20 Unique 2.25, 2.49 A)
&rst
ixpk= 2309, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1092,1093,
&end
#
# 70 SER HA 70 SER HB- 5.50 (# 2310:20 Unique 2.25, 2.49 A)
&rst
ixpk= 2310, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1092,1093,
&end
#
# 98 LYS HE- 70 SER HB- 5.50 (# 2313:20 Unique 3.65, 6.34 A)
&rst
ixpk= 2313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1092,1093,
&end
#
# 98 LYS HE- 70 SER HB+ 5.50 (# 2314:20 Unique 3.65, 6.34 A)
&rst
ixpk= 2314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1092,1093,
&end
#
# 69 ALA MB 70 SER HB- 5.50 (# 2315:20 Unique 5.03, 6.28 A)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1082,1083,1084,
igr2=1092,1093,
&end
#
# 69 ALA MB 70 SER HB+ 5.50 (# 2316:20 Unique 5.03, 6.28 A)
&rst
ixpk= 2316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1082,1083,1084,
igr2=1092,1093,
&end
#
# 71 THR MG2 70 SER HB- 5.50 (# 2317:20 Unique 3.83, 6.66 A)
&rst
ixpk= 2317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1105,1106,1107,
igr2=1092,1093,
&end
#
# 67 ILE QG2 70 SER HB- 5.50 (# 2318:20 Unique 3.17, 4.80 A)
&rst
ixpk= 2318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1046,1047,1048,
igr2=1092,1093,
&end
#
# 0 AMB 20-2:2319 70 SER HB- 5.50 (# 2319:20 Single Ambig)
&rst
ixpk= 2319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1=1604,1605,1688,1689,1690,1692,1693,1694,1053,1054,
1055,
igr2=1092,1093,
&end
#
# 0 AMB 20-2:2320 0 AMB 20-1:2320 5.50 (# 2320:20 Double Ambig)
&rst
ixpk= 2320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1046,1047,1048,1604,1605,
igr2=1092,1093,1092,1093,
&end
#
# 71 THR MG2 70 SER HB+ 5.50 (# 2321:20 Unique 3.83, 6.66 A)
&rst
ixpk= 2321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1105,1106,1107,
igr2=1092,1093,
&end
#
# 50 MET ME 70 SER HB- 5.50 (# 2322:20 Unique 3.91, 6.34 A)
&rst
ixpk= 2322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 759, 760, 761,
igr2=1092,1093,
&end
#
# 0 AMB 20-2:2323 0 AMB 20-1:2323 5.50 (# 2323:20 Double Ambig)
&rst
ixpk= 2323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1=1604,1605,1688,1689,1690,1692,1693,1694,1053,1054,
1055,
igr2=1092,1093,1092,1093,1092,1093,
&end
#
# 72 ARG HN 71 THR HA 3.50 (# 2324:20 Unique 2.15, 2.30 A)
&rst
ixpk= 2324, nxpk= 20, iat=1113,1101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 THR HN 71 THR HA 5.50 (# 2325:20 Unique 2.74, 2.78 A)
&rst
ixpk= 2325, nxpk= 20, iat=1099,1101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2326 0 AMB 20-1:2326 5.50 (# 2326:20 Double Ambig)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1137, 510,1151,
igr2=1101,2228,
&end
#
# 158 LEU HN 157 SER HA 5.50 (# 2327:20 Unique 3.35, 3.46 A)
&rst
ixpk= 2327, nxpk= 20, iat=2603,2594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 TRP HH2 136 VAL HA 5.50 (# 2328:20 Unique 3.22, 4.47 A)
&rst
ixpk= 2328, nxpk= 20, iat= 371,2228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 THR HB 71 THR HA 5.50 (# 2329:20 Unique 2.36, 2.69 A)
&rst
ixpk= 2329, nxpk= 20, iat=1103,1101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2330 157 SER HA 2.80 (# 2330:20 Single Ambig)
&rst
ixpk= 2330, nxpk= 20, iat= -1,2594, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2596,2597,2596,2597,
&end
#
# 71 THR MG2 71 THR HA 4.50 (# 2331:20 Unique 1.99, 3.16 A)
&rst
ixpk= 2331, nxpk= 20, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1105,1106,1107,
&end
#
# 0 AMB 20-2:2332 71 THR HA 4.50 (# 2332:20 Single Ambig)
&rst
ixpk= 2332, nxpk= 20, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1117,1118,1117,1118,
&end
#
# 160 GLU HB- 157 SER HA 4.50 (# 2333:20 Unique 2.00, 3.13 A)
&rst
ixpk= 2333, nxpk= 20, iat= -1,2594, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2643,2644,
&end
#
# 0 AMB 20-2:2334 157 SER HA 5.50 (# 2334:20 Single Ambig)
&rst
ixpk= 2334, nxpk= 20, iat= -1,2594, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2646,2647,2629,2630,2629,2630,
&end
#
# 0 AMB 20-2:2335 71 THR HB 5.50 (# 2335:20 Single Ambig)
&rst
ixpk= 2335, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 71 THR MG2 71 THR HB 4.50 (# 2336:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2336, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1105,1106,1107,
&end
#
# 0 AMB 20-2:2337 71 THR HB 5.50 (# 2337:20 Single Ambig)
&rst
ixpk= 2337, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1117,1118,1117,1118,
&end
#
# 71 THR HA 71 THR HB 5.50 (# 2338:20 Unique 2.36, 2.69 A)
&rst
ixpk= 2338, nxpk= 20, iat=1101,1103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2340 71 THR HB 5.50 (# 2340:20 Single Ambig)
&rst
ixpk= 2340, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1137,1151,
&end
#
# 71 THR HN 71 THR HB 5.50 (# 2341:20 Unique 2.43, 3.11 A)
&rst
ixpk= 2341, nxpk= 20, iat=1099,1103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ARG HN 71 THR HB 5.50 (# 2342:20 Unique 2.27, 3.32 A)
&rst
ixpk= 2342, nxpk= 20, iat=1113,1103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ARG HN 71 THR MG2 5.50 (# 2343:20 Unique 2.00, 4.04 A)
&rst
ixpk= 2343, nxpk= 20, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1105,1106,1107,
&end
#
# 71 THR HN 71 THR MG2 4.50 (# 2344:20 Unique 1.94, 3.64 A)
&rst
ixpk= 2344, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1105,1106,1107,
&end
#
# 0 AMB 20-2:2345 71 THR MG2 5.50 (# 2345:20 Single Ambig)
&rst
ixpk= 2345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1137,1151,
igr2=1105,1106,1107,
&end
#
# 0 AMB 20-2:2346 0 AMB 20-1:2346 5.50 (# 2346:20 Double Ambig)
&rst
ixpk= 2346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2448,2432,
igr2=2175,2176,2177,2179,2180,2181,1105,1106,1107,
&end
#
# 99 TRP HN 71 THR MG2 5.50 (# 2347:20 Unique 1.94, 3.43 A)
&rst
ixpk= 2347, nxpk= 20, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1105,1106,1107,
&end
#
# 144 TYR HD 133 VAL MGY 4.50 (# 2348:20 Unique 3.70, 7.10 A)
&rst
ixpk= 2348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2371,2380,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 0 AMB 20-2:2349 71 THR MG2 5.50 (# 2349:20 Single Ambig)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1090,1618,
igr2=1105,1106,1107,
&end
#
# 0 AMB 20-2:2350 71 THR MG2 4.50 (# 2350:20 Single Ambig)
&rst
ixpk= 2350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1103,1153,
igr2=1105,1106,1107,
&end
#
# 71 THR HA 71 THR MG2 4.50 (# 2351:20 Unique 1.99, 3.16 A)
&rst
ixpk= 2351, nxpk= 20, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1105,1106,1107,
&end
#
# 145 ARG HA 133 VAL MGY 5.50 (# 2352:20 Unique 1.98, 3.58 A)
&rst
ixpk= 2352, nxpk= 20, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 99 TRP HB+ 71 THR MG2 5.50 (# 2353:20 Unique 1.99, 4.24 A)
&rst
ixpk= 2353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1620,1621,
igr2=1105,1106,1107,
&end
#
# 99 TRP HB- 71 THR MG2 5.50 (# 2354:20 Unique 1.99, 4.24 A)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1620,1621,
igr2=1105,1106,1107,
&end
#
# 0 AMB 20-2:2355 0 AMB 20-1:2355 5.50 (# 2355:20 Double Ambig)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=2189,2190,2315,2316,1117,1118,1117,1118,
igr2=2175,2176,2177,2179,2180,2181,1105,1106,1107,
&end
#
# 147 VAL MGX 0 AMB 20-1:2356 5.50 (# 2356:20 Single Ambig)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=2438,2439,2440,2442,2443,2444,
igr2=1105,1106,1107,2175,2176,2177,2179,2180,2181,
&end
#
# 147 VAL MGY 0 AMB 20-1:2357 5.50 (# 2357:20 Single Ambig)
&rst
ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=2438,2439,2440,2442,2443,2444,
igr2=1105,1106,1107,2175,2176,2177,2179,2180,2181,
&end
#
# 72 ARG HN 72 ARG HA 4.50 (# 2358:20 Unique 2.74, 2.80 A)
&rst
ixpk= 2358, nxpk= 20, iat=1113,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2359 72 ARG HA 4.50 (# 2359:20 Single Ambig)
&rst
ixpk= 2359, nxpk= 20, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1137,1151,
&end
#
# 73 ASN HA 72 ARG HA 5.50 (# 2360:20 Unique 4.54, 4.59 A)
&rst
ixpk= 2360, nxpk= 20, iat=1139,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 THR HA 72 ARG HA 5.50 (# 2361:20 Unique 4.29, 4.33 A)
&rst
ixpk= 2361, nxpk= 20, iat=1101,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2362 72 ARG HA 5.50 (# 2362:20 Single Ambig)
&rst
ixpk= 2362, nxpk= 20, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1123,1124,1123,1124,
&end
#
# 0 AMB 20-2:2363 72 ARG HA 2.80 (# 2363:20 Single Ambig)
&rst
ixpk= 2363, nxpk= 20, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1117,1118,1117,1118,
&end
#
# 72 ARG HG+ 72 ARG HA 3.50 (# 2364:20 Unique 2.12, 2.82 A)
&rst
ixpk= 2364, nxpk= 20, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1120,1121,
&end
#
# 72 ARG HN 0 AMB 20-1:2365 3.50 (# 2365:20 Single Ambig)
&rst
ixpk= 2365, nxpk= 20, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1117,1118,1117,1118,
&end
#
# 73 ASN HN 0 AMB 20-1:2366 3.50 (# 2366:20 Single Ambig)
&rst
ixpk= 2366, nxpk= 20, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1117,1118,1117,1118,
&end
#
# 0 AMB 20-2:2367 0 AMB 20-1:2367 5.50 (# 2367:20 Double Ambig)
&rst
ixpk= 2367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1146,1147,1146,1147,
igr2=1117,1118,1117,1118,
&end
#
# 0 AMB 20-2:2368 0 AMB 20-1:2368 5.50 (# 2368:20 Double Ambig)
&rst
ixpk= 2368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2226,2311,
igr2=2189,2190,2189,2190,
&end
#
# 134 ARG HN 134 ARG HB+ 5.50 (# 2369:20 Unique 2.46, 3.24 A)
&rst
ixpk= 2369, nxpk= 20, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2189,2190,
&end
#
# 0 AMB 20-2:2370 0 AMB 20-1:2370 5.50 (# 2370:20 Double Ambig)
&rst
ixpk= 2370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1146,1147,2198,
igr2=1117,1118,1117,1118,2189,2190,
&end
#
# 71 THR HA 0 AMB 20-1:2371 5.50 (# 2371:20 Single Ambig)
&rst
ixpk= 2371, nxpk= 20, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1117,1118,1117,1118,
&end
#
# 134 ARG HA 134 ARG HB+ 4.50 (# 2372:20 Unique 2.33, 2.76 A)
&rst
ixpk= 2372, nxpk= 20, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2189,2190,
&end
#
# 72 ARG HA 0 AMB 20-1:2373 3.50 (# 2373:20 Single Ambig)
&rst
ixpk= 2373, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1117,1118,1117,1118,
&end
#
# 0 AMB 20-2:2374 0 AMB 20-1:2374 5.50 (# 2374:20 Double Ambig)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2195,2196,2195,2196,
igr2=2189,2190,2189,2190,
&end
#
# 72 ARG HN 72 ARG HG+ 5.50 (# 2375:20 Unique 1.92, 3.35 A)
&rst
ixpk= 2375, nxpk= 20, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1120,1121,
&end
#
# 72 ARG HN 72 ARG HG- 5.50 (# 2376:20 Unique 1.92, 3.35 A)
&rst
ixpk= 2376, nxpk= 20, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1120,1121,
&end
#
# 0 AMB 20-2:2377 0 AMB 20-1:2377 5.50 (# 2377:20 Double Ambig)
&rst
ixpk= 2377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2335,1137,
igr2=2318,2319,1120,1121,
&end
#
# 73 ASN HN 72 ARG HG- 5.50 (# 2378:20 Unique 2.28, 4.78 A)
&rst
ixpk= 2378, nxpk= 20, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1120,1121,
&end
#
# 72 ARG HA 72 ARG HG+ 5.50 (# 2379:20 Unique 2.12, 2.82 A)
&rst
ixpk= 2379, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1120,1121,
&end
#
# 72 ARG HA 72 ARG HG- 4.50 (# 2380:20 Unique 2.12, 2.82 A)
&rst
ixpk= 2380, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1120,1121,
&end
#
# 0 AMB 20-2:2381 0 AMB 20-1:2381 2.80 (# 2381:20 Double Ambig)
&rst
ixpk= 2381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1123,1124,1123,1124,
igr2=1120,1121,1120,1121,
&end
#
# 0 AMB 20-2:2382 0 AMB 20-1:2382 2.80 (# 2382:20 Double Ambig)
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1123,1124,1123,1124, 114, 115,
igr2=1120,1121, 111, 112,
&end
#
# 0 AMB 20-2:2383 0 AMB 20-1:2383 4.50 (# 2383:20 Double Ambig)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 394, 395, 394, 395,1724,1725,1726,1728,1729,1730,
igr2=1955,1956, 268, 269, 268, 269,
&end
#
# 0 AMB 20-2:2385 8 ARG HD- 4.50 (# 2385:20 Single Ambig)
&rst
ixpk= 2385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 129, 130, 129, 130,
igr2= 114, 115,
&end
#
# 72 ARG HN 0 AMB 20-1:2387 5.50 (# 2387:20 Single Ambig)
&rst
ixpk= 2387, nxpk= 20, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1123,1124,1123,1124,
&end
#
# 0 AMB 20-2:2388 73 ASN HA 3.50 (# 2388:20 Single Ambig)
&rst
ixpk= 2388, nxpk= 20, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1151,1137,
&end
#
# 73 ASN HD2+ 73 ASN HA 5.50 (# 2389:20 Unique 3.80, 4.46 A)
&rst
ixpk= 2389, nxpk= 20, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1146,1147,
&end
#
# 73 ASN HD2- 73 ASN HA 5.50 (# 2390:20 Unique 3.80, 4.46 A)
&rst
ixpk= 2390, nxpk= 20, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1146,1147,
&end
#
# 73 ASN HB+ 73 ASN HA 4.50 (# 2391:20 Unique 2.28, 2.51 A)
&rst
ixpk= 2391, nxpk= 20, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1141,1142,
&end
#
# 73 ASN HB- 73 ASN HA 5.50 (# 2392:20 Unique 2.28, 2.51 A)
&rst
ixpk= 2392, nxpk= 20, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1141,1142,
&end
#
# 0 AMB 20-2:2393 73 ASN HB- 5.50 (# 2393:20 Single Ambig)
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=1141,1142,
&end
#
# 0 AMB 20-2:2394 0 AMB 20-1:2394 5.50 (# 2394:20 Double Ambig)
&rst
ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=1141,1142,1141,1142,
&end
#
# 0 AMB 20-2:2395 73 ASN HB- 5.50 (# 2395:20 Single Ambig)
&rst
ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1117,1118,1117,1118,
igr2=1141,1142,
&end
#
# 0 AMB 20-2:2396 0 AMB 20-1:2396 5.50 (# 2396:20 Double Ambig)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1117,1118,1117,1118,
igr2=1141,1142,1141,1142,
&end
#
# 73 ASN HA 73 ASN HB+ 4.50 (# 2397:20 Unique 2.28, 2.51 A)
&rst
ixpk= 2397, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1141,1142,
&end
#
# 73 ASN HA 73 ASN HB- 4.50 (# 2398:20 Unique 2.28, 2.51 A)
&rst
ixpk= 2398, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1141,1142,
&end
#
# 73 ASN HD2- 73 ASN HB+ 5.50 (# 2399:20 Unique 2.13, 3.34 A)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,
igr2=1141,1142,
&end
#
# 73 ASN HD2- 73 ASN HB- 5.50 (# 2400:20 Unique 2.13, 3.34 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,
igr2=1141,1142,
&end
#
# 73 ASN HD2+ 73 ASN HB+ 5.50 (# 2401:20 Unique 2.13, 3.34 A)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,
igr2=1141,1142,
&end
#
# 73 ASN HD2+ 73 ASN HB- 5.50 (# 2402:20 Unique 2.13, 3.34 A)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,
igr2=1141,1142,
&end
#
# 74 TRP HN 73 ASN HB+ 4.50 (# 2403:20 Unique 1.95, 2.91 A)
&rst
ixpk= 2403, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1141,1142,
&end
#
# 74 TRP HN 73 ASN HB- 3.50 (# 2404:20 Unique 1.95, 2.91 A)
&rst
ixpk= 2404, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1141,1142,
&end
#
# 97 GLN HN 74 TRP HA 5.50 (# 2405:20 Unique 3.94, 4.34 A)
&rst
ixpk= 2405, nxpk= 20, iat=1577,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HN 74 TRP HA 4.50 (# 2406:20 Unique 2.14, 2.22 A)
&rst
ixpk= 2406, nxpk= 20, iat=1175,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 TRP HN 74 TRP HA 5.50 (# 2407:20 Unique 2.27, 2.79 A)
&rst
ixpk= 2407, nxpk= 20, iat=1151,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HD1 74 TRP HA 5.50 (# 2409:20 Unique 3.88, 4.12 A)
&rst
ixpk= 2409, nxpk= 20, iat=1159,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HB- 74 TRP HA 5.50 (# 2410:20 Unique 2.43, 2.75 A)
&rst
ixpk= 2410, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155,1156,
&end
#
# 74 TRP HB+ 74 TRP HA 5.50 (# 2411:20 Unique 2.43, 2.75 A)
&rst
ixpk= 2411, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155,1156,
&end
#
# 0 AMB 20-2:2412 74 TRP HA 5.50 (# 2412:20 Single Ambig)
&rst
ixpk= 2412, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 20-2:2413 0 AMB 20-1:2413 5.50 (# 2413:20 Double Ambig)
&rst
ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1565,1566,1201,1202,
igr2=1155,1156,1155,1156,
&end
#
# 0 AMB 20-2:2414 74 TRP HB- 5.50 (# 2414:20 Single Ambig)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1198,1199,1559,1560,
igr2=1155,1156,
&end
#
# 74 TRP HA 74 TRP HB+ 5.50 (# 2415:20 Unique 2.43, 2.75 A)
&rst
ixpk= 2415, nxpk= 20, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 74 TRP HA 74 TRP HB- 5.50 (# 2416:20 Unique 2.43, 2.75 A)
&rst
ixpk= 2416, nxpk= 20, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 75 LEU HN 74 TRP HB+ 5.50 (# 2417:20 Unique 2.37, 3.74 A)
&rst
ixpk= 2417, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 75 LEU HN 74 TRP HB- 5.50 (# 2418:20 Unique 2.37, 3.74 A)
&rst
ixpk= 2418, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 74 TRP HN 74 TRP HB+ 5.50 (# 2419:20 Unique 2.40, 3.14 A)
&rst
ixpk= 2419, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 74 TRP HN 74 TRP HB- 5.50 (# 2420:20 Unique 2.40, 3.14 A)
&rst
ixpk= 2420, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 74 TRP HD1 74 TRP HB+ 5.50 (# 2421:20 Unique 2.61, 3.26 A)
&rst
ixpk= 2421, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 74 TRP HD1 74 TRP HB- 5.50 (# 2422:20 Unique 2.61, 3.26 A)
&rst
ixpk= 2422, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 97 GLN HN 75 LEU HB+ 5.50 (# 2425:20 Unique 3.74, 4.66 A)
&rst
ixpk= 2425, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1179,1180,
&end
#
# 97 GLN HN 75 LEU HB- 5.50 (# 2426:20 Unique 3.74, 4.66 A)
&rst
ixpk= 2426, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1179,1180,
&end
#
# 75 LEU HN 75 LEU HB+ 5.50 (# 2427:20 Unique 2.06, 2.86 A)
&rst
ixpk= 2427, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1179,1180,
&end
#
# 75 LEU HN 75 LEU HB- 5.50 (# 2428:20 Unique 2.06, 2.86 A)
&rst
ixpk= 2428, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1179,1180,
&end
#
# 76 ARG HN 75 LEU HB- 5.50 (# 2430:20 Unique 2.71, 3.79 A)
&rst
ixpk= 2430, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1179,1180,
&end
#
# 75 LEU HA 75 LEU HB+ 5.50 (# 2431:20 Unique 2.36, 2.80 A)
&rst
ixpk= 2431, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1179,1180,
&end
#
# 75 LEU HA 75 LEU HB- 5.50 (# 2432:20 Unique 2.36, 2.80 A)
&rst
ixpk= 2432, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1179,1180,
&end
#
# 0 AMB 20-2:2433 0 AMB 20-1:2433 5.50 (# 2433:20 Double Ambig)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=1179,1180,1179,1180,
&end
#
# 0 AMB 20-2:2434 75 LEU HB- 4.50 (# 2434:20 Single Ambig)
&rst
ixpk= 2434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=1179,1180,
&end
#
# 0 AMB 20-2:2435 75 LEU HB- 5.50 (# 2435:20 Single Ambig)
&rst
ixpk= 2435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
igr2=1179,1180,
&end
#
# 0 AMB 20-2:2436 0 AMB 20-1:2436 5.50 (# 2436:20 Double Ambig)
&rst
ixpk= 2436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
igr2=1179,1180,1179,1180,
&end
#
# 147 VAL MGY 75 LEU HG 5.50 (# 2437:20 Unique 3.76, 6.72 A)
&rst
ixpk= 2437, nxpk= 20, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:2438 75 LEU HG 3.50 (# 2438:20 Single Ambig)
&rst
ixpk= 2438, nxpk= 20, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 20-2:2439 75 LEU HG 3.50 (# 2439:20 Single Ambig)
&rst
ixpk= 2439, nxpk= 20, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 20-2:2440 75 LEU HG 5.50 (# 2440:20 Single Ambig)
&rst
ixpk= 2440, nxpk= 20, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,1105,1106,1107,
&end
#
# 85 ARG HG- 85 ARG HB+ 4.50 (# 2441:20 Unique 2.21, 2.65 A)
&rst
ixpk= 2441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1382,1383,
igr2=1379,1380,
&end
#
# 150 GLU HG- 75 LEU HG 5.50 (# 2442:20 Unique 4.34, 6.08 A)
&rst
ixpk= 2442, nxpk= 20, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2494,2495,
&end
#
# 0 AMB 20-2:2443 0 AMB 20-1:2443 5.50 (# 2443:20 Double Ambig)
&rst
ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
igr1=1385,1386,1385,1386,2418,2419,2418,2419,
igr2=1379,1380,1379,1380,1182,
&end
#
# 75 LEU HA 75 LEU HG 5.50 (# 2444:20 Unique 2.40, 3.19 A)
&rst
ixpk= 2444, nxpk= 20, iat=1177,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2445 0 AMB 20-1:2445 5.50 (# 2445:20 Double Ambig)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1423,1194,
igr2=1379,1380,1182,
&end
#
# 75 LEU HN 75 LEU HG 5.50 (# 2446:20 Unique 2.50, 3.92 A)
&rst
ixpk= 2446, nxpk= 20, iat=1175,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HN 75 LEU MDX 5.50 (# 2447:20 Unique 2.44, 4.63 A)
&rst
ixpk= 2447, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 76 ARG HN 75 LEU MDX 5.50 (# 2448:20 Unique 2.11, 4.69 A)
&rst
ixpk= 2448, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2449 75 LEU MDX 5.50 (# 2449:20 Single Ambig)
&rst
ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1137,1151,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 147 VAL HN 75 LEU MDX 5.50 (# 2450:20 Unique 3.10, 6.54 A)
&rst
ixpk= 2450, nxpk= 20, iat=2432, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 99 TRP HN 75 LEU MDX 5.50 (# 2451:20 Unique 3.02, 6.09 A)
&rst
ixpk= 2451, nxpk= 20, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2452 75 LEU MDX 5.50 (# 2452:20 Single Ambig)
&rst
ixpk= 2452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1146,1147,2408,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 99 TRP HD1 75 LEU MDX 5.50 (# 2453:20 Unique 1.99, 4.97 A)
&rst
ixpk= 2453, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 77 TYR HE 75 LEU MDX 5.50 (# 2454:20 Unique 3.72, 8.93 A)
&rst
ixpk= 2454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1228,1233,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2456 75 LEU MDX 5.50 (# 2456:20 Single Ambig)
&rst
ixpk= 2456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1103,1153,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 143 VAL HA 75 LEU MDX 5.50 (# 2457:20 Unique 3.15, 5.90 A)
&rst
ixpk= 2457, nxpk= 20, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2458 75 LEU MDX 5.50 (# 2458:20 Single Ambig)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2418,2419,2418,2419,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 147 VAL HA 75 LEU MDX 5.50 (# 2459:20 Unique 3.75, 6.36 A)
&rst
ixpk= 2459, nxpk= 20, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2460 75 LEU MDX 5.50 (# 2460:20 Single Ambig)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1155,1156,2478,2479,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 76 ARG HD- 75 LEU MDX 5.50 (# 2461:20 Unique 3.12, 6.98 A)
&rst
ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1204,1205,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 75 LEU HB- 75 LEU MDX 3.50 (# 2462:20 Unique 2.08, 3.37 A)
&rst
ixpk= 2462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1179,1180,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2463 75 LEU MDX 2.80 (# 2463:20 Single Ambig)
&rst
ixpk= 2463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=2412,2413,2412,2413,2415,2416,1182,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 75 LEU HB+ 75 LEU MDX 2.80 (# 2464:20 Unique 2.08, 3.37 A)
&rst
ixpk= 2464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1179,1180,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2465 75 LEU MDX 5.50 (# 2465:20 Single Ambig)
&rst
ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 147 VAL MGX 75 LEU MDX 5.50 (# 2466:20 Unique 2.71, 7.24 A)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2438,2439,2440,2442,2443,2444,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 147 VAL MGY 75 LEU MDX 3.50 (# 2467:20 Unique 2.71, 7.24 A)
&rst
ixpk= 2467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2438,2439,2440,2442,2443,2444,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2468 0 AMB 20-1:2468 3.50 (# 2468:20 Double Ambig)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1702,1703,1179,1180,2610,
igr2=1068,1069,1070,1072,1073,1074,1184,1185,1186,1188,
1189,1190,
&end
#
# 75 LEU HB+ 75 LEU MDY 3.50 (# 2469:20 Unique 2.08, 3.37 A)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1179,1180,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2470 0 AMB 20-1:2470 2.80 (# 2470:20 Double Ambig)
&rst
ixpk= 2470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1702,1703,2412,2413,2412,2413,2415,2416,1182,
igr2=1068,1069,1070,1072,1073,1074,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 20-2:2471 75 LEU MDY 5.50 (# 2471:20 Single Ambig)
&rst
ixpk= 2471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1620,1621,1141,1142,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2472 75 LEU MDY 4.50 (# 2472:20 Single Ambig)
&rst
ixpk= 2472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2418,2419,2418,2419,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 71 THR HA 75 LEU MDY 5.50 (# 2473:20 Unique 4.46, 7.04 A)
&rst
ixpk= 2473, nxpk= 20, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 75 LEU HA 75 LEU MDY 3.50 (# 2474:20 Unique 2.07, 3.50 A)
&rst
ixpk= 2474, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 76 ARG HN 75 LEU MDY 5.50 (# 2475:20 Unique 2.11, 4.69 A)
&rst
ixpk= 2475, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2476 0 AMB 20-1:2476 5.50 (# 2476:20 Double Ambig)
&rst
ixpk= 2476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1059,1175,
igr2=1068,1069,1070,1072,1073,1074,1184,1185,1186,1188,
1189,1190,
&end
#
# 76 ARG HG- 76 ARG HA 5.50 (# 2477:20 Unique 2.28, 3.70 A)
&rst
ixpk= 2477, nxpk= 20, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1201,1202,
&end
#
# 76 ARG HG+ 76 ARG HA 5.50 (# 2478:20 Unique 2.28, 3.70 A)
&rst
ixpk= 2478, nxpk= 20, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1201,1202,
&end
#
# 76 ARG HB+ 76 ARG HA 5.50 (# 2479:20 Unique 2.25, 2.52 A)
&rst
ixpk= 2479, nxpk= 20, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1198,1199,
&end
#
# 76 ARG HB- 76 ARG HA 5.50 (# 2480:20 Unique 2.25, 2.52 A)
&rst
ixpk= 2480, nxpk= 20, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1198,1199,
&end
#
# 0 AMB 20-2:2481 76 ARG HA 5.50 (# 2481:20 Single Ambig)
&rst
ixpk= 2481, nxpk= 20, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1542,1543,1179,1180,
&end
#
# 76 ARG HD- 76 ARG HA 5.50 (# 2482:20 Unique 2.87, 4.46 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 76 ARG HD+ 76 ARG HA 5.50 (# 2483:20 Unique 2.87, 4.46 A)
&rst
ixpk= 2483, nxpk= 20, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 96 LYS HA 76 ARG HA 5.50 (# 2484:20 Unique 3.06, 3.43 A)
&rst
ixpk= 2484, nxpk= 20, iat=1557,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HN 76 ARG HA 4.50 (# 2485:20 Unique 2.90, 2.92 A)
&rst
ixpk= 2485, nxpk= 20, iat=1194,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 TYR HN 76 ARG HA 4.50 (# 2486:20 Unique 2.34, 2.48 A)
&rst
ixpk= 2486, nxpk= 20, iat=1218,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 GLN HN 76 ARG HA 5.50 (# 2487:20 Unique 3.71, 4.21 A)
&rst
ixpk= 2487, nxpk= 20, iat=1577,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HN 76 ARG HB+ 5.50 (# 2488:20 Unique 2.44, 3.53 A)
&rst
ixpk= 2488, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1198,1199,
&end
#
# 76 ARG HN 76 ARG HB- 5.50 (# 2489:20 Unique 2.44, 3.53 A)
&rst
ixpk= 2489, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1198,1199,
&end
#
# 76 ARG HA 76 ARG HB+ 5.50 (# 2490:20 Unique 2.25, 2.52 A)
&rst
ixpk= 2490, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1198,1199,
&end
#
# 76 ARG HA 76 ARG HB- 5.50 (# 2491:20 Unique 2.25, 2.52 A)
&rst
ixpk= 2491, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1198,1199,
&end
#
# 75 LEU HA 76 ARG HB+ 5.50 (# 2492:20 Unique 4.28, 5.15 A)
&rst
ixpk= 2492, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1198,1199,
&end
#
# 76 ARG HD+ 76 ARG HB+ 5.50 (# 2494:20 Unique 2.05, 3.56 A)
&rst
ixpk= 2494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1204,1205,
igr2=1198,1199,
&end
#
# 76 ARG HD+ 76 ARG HB- 5.50 (# 2495:20 Unique 2.05, 3.56 A)
&rst
ixpk= 2495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1204,1205,
igr2=1198,1199,
&end
#
# 0 AMB 20-2:2496 0 AMB 20-1:2496 5.50 (# 2496:20 Double Ambig)
&rst
ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1204,1205,2213,2214,
igr2=1198,1199,2162,2163,
&end
#
# 76 ARG HD- 76 ARG HB+ 5.50 (# 2497:20 Unique 2.05, 3.56 A)
&rst
ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1204,1205,
igr2=1198,1199,
&end
#
# 76 ARG HG- 76 ARG HB+ 5.50 (# 2498:20 Unique 2.22, 2.60 A)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1201,1202,
igr2=1198,1199,
&end
#
# 76 ARG HG- 76 ARG HB- 5.50 (# 2499:20 Unique 2.22, 2.60 A)
&rst
ixpk= 2499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1201,1202,
igr2=1198,1199,
&end
#
# 76 ARG HD- 76 ARG HG+ 5.50 (# 2500:20 Unique 2.22, 2.59 A)
&rst
ixpk= 2500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1204,1205,
igr2=1201,1202,
&end
#
# 76 ARG HD- 76 ARG HG- 5.50 (# 2501:20 Unique 2.22, 2.59 A)
&rst
ixpk= 2501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1204,1205,
igr2=1201,1202,
&end
#
# 76 ARG HD+ 76 ARG HG+ 5.50 (# 2502:20 Unique 2.22, 2.59 A)
&rst
ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1204,1205,
igr2=1201,1202,
&end
#
# 76 ARG HD+ 76 ARG HG- 5.50 (# 2503:20 Unique 2.22, 2.59 A)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1204,1205,
igr2=1201,1202,
&end
#
# 76 ARG HA 76 ARG HG+ 5.50 (# 2504:20 Unique 2.28, 3.70 A)
&rst
ixpk= 2504, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1201,1202,
&end
#
# 76 ARG HA 76 ARG HG- 5.50 (# 2505:20 Unique 2.28, 3.70 A)
&rst
ixpk= 2505, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1201,1202,
&end
#
# 76 ARG HN 76 ARG HG+ 5.50 (# 2506:20 Unique 2.01, 3.45 A)
&rst
ixpk= 2506, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1201,1202,
&end
#
# 76 ARG HN 76 ARG HD+ 5.50 (# 2508:20 Unique 1.85, 3.15 A)
&rst
ixpk= 2508, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1204,1205,
&end
#
# 76 ARG HN 76 ARG HD- 5.50 (# 2509:20 Unique 1.85, 3.15 A)
&rst
ixpk= 2509, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1204,1205,
&end
#
# 7 TYR HD 76 ARG HD- 5.50 (# 2512:20 Unique 2.60, 6.29 A)
&rst
ixpk= 2512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 91, 100,
igr2=1204,1205,
&end
#
# 7 TYR HE 76 ARG HD+ 5.50 (# 2513:20 Unique 2.03, 5.36 A)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 93, 98,
igr2=1204,1205,
&end
#
# 7 TYR HE 76 ARG HD- 5.50 (# 2514:20 Unique 2.03, 5.36 A)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 93, 98,
igr2=1204,1205,
&end
#
# 97 GLN HE2- 76 ARG HD- 5.50 (# 2515:20 Unique 2.98, 7.01 A)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1589,1590,
igr2=1204,1205,
&end
#
# 97 GLN HE2- 76 ARG HD+ 5.50 (# 2516:20 Unique 2.98, 7.01 A)
&rst
ixpk= 2516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1589,1590,
igr2=1204,1205,
&end
#
# 76 ARG HA 76 ARG HD+ 5.50 (# 2517:20 Unique 2.87, 4.46 A)
&rst
ixpk= 2517, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1204,1205,
&end
#
# 0 AMB 20-2:2518 76 ARG HD- 5.50 (# 2518:20 Single Ambig)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1196,1540,
igr2=1204,1205,
&end
#
# 76 ARG HB+ 76 ARG HD+ 5.50 (# 2521:20 Unique 2.05, 3.56 A)
&rst
ixpk= 2521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1198,1199,
igr2=1204,1205,
&end
#
# 76 ARG HB+ 76 ARG HD- 5.50 (# 2522:20 Unique 2.05, 3.56 A)
&rst
ixpk= 2522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1198,1199,
igr2=1204,1205,
&end
#
# 76 ARG HG+ 76 ARG HD- 4.50 (# 2523:20 Unique 2.22, 2.59 A)
&rst
ixpk= 2523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1201,1202,
igr2=1204,1205,
&end
#
# 76 ARG HB- 76 ARG HD- 5.50 (# 2524:20 Unique 2.05, 3.56 A)
&rst
ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1198,1199,
igr2=1204,1205,
&end
#
# 76 ARG HG+ 76 ARG HD+ 5.50 (# 2525:20 Unique 2.22, 2.59 A)
&rst
ixpk= 2525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1201,1202,
igr2=1204,1205,
&end
#
# 76 ARG HB- 76 ARG HD+ 5.50 (# 2526:20 Unique 2.05, 3.56 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1198,1199,
igr2=1204,1205,
&end
#
# 0 AMB 20-2:2527 0 AMB 20-1:2527 5.50 (# 2527:20 Double Ambig)
&rst
ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1201,1202,1184,1185,1186,1188,1189,1190,
igr2=1204,1205,1204,1205,
&end
#
# 0 AMB 20-2:2528 76 ARG HD- 5.50 (# 2528:20 Single Ambig)
&rst
ixpk= 2528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1201,1202,1184,1185,1186,1188,1189,1190,
igr2=1204,1205,
&end
#
# 0 AMB 20-2:2529 77 TYR HA 5.50 (# 2529:20 Single Ambig)
&rst
ixpk= 2529, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 0 AMB 20-2:2530 77 TYR HA 5.50 (# 2530:20 Single Ambig)
&rst
ixpk= 2530, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1198,1199,1246,1247,
&end
#
# 0 AMB 20-2:2531 77 TYR HA 5.50 (# 2531:20 Single Ambig)
&rst
ixpk= 2531, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1249,1250,1249,1250,
&end
#
# 0 AMB 20-2:2532 77 TYR HA 5.50 (# 2532:20 Single Ambig)
&rst
ixpk= 2532, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1243,1244,1542,1543,
&end
#
# 77 TYR HB- 77 TYR HA 4.50 (# 2533:20 Unique 2.30, 2.46 A)
&rst
ixpk= 2533, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1222,1223,
&end
#
# 77 TYR HB+ 77 TYR HA 5.50 (# 2534:20 Unique 2.30, 2.46 A)
&rst
ixpk= 2534, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1222,1223,
&end
#
# 77 TYR HD 77 TYR HA 5.50 (# 2535:20 Unique 3.81, 4.17 A)
&rst
ixpk= 2535, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1226,1235,
&end
#
# 77 TYR HN 77 TYR HA 5.50 (# 2536:20 Unique 2.85, 2.86 A)
&rst
ixpk= 2536, nxpk= 20, iat=1218,1220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 LYS HN 77 TYR HA 3.50 (# 2537:20 Unique 2.50, 2.62 A)
&rst
ixpk= 2537, nxpk= 20, iat=1239,1220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2538 0 AMB 20-1:2538 5.50 (# 2538:20 Double Ambig)
&rst
ixpk= 2538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
igr2=1222,1223,1222,1223,
&end
#
# 0 AMB 20-2:2539 77 TYR HB- 5.50 (# 2539:20 Single Ambig)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
igr2=1222,1223,
&end
#
# 77 TYR HA 77 TYR HB+ 5.50 (# 2540:20 Unique 2.30, 2.46 A)
&rst
ixpk= 2540, nxpk= 20, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1222,1223,
&end
#
# 77 TYR HA 77 TYR HB- 5.50 (# 2541:20 Unique 2.30, 2.46 A)
&rst
ixpk= 2541, nxpk= 20, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1222,1223,
&end
#
# 77 TYR HD 77 TYR HB+ 5.50 (# 2542:20 Unique 2.30, 3.05 A)
&rst
ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1226,1235,
igr2=1222,1223,
&end
#
# 77 TYR HD 77 TYR HB- 5.50 (# 2543:20 Unique 2.30, 3.05 A)
&rst
ixpk= 2543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1226,1235,
igr2=1222,1223,
&end
#
# 77 TYR HN 77 TYR HB+ 5.50 (# 2544:20 Unique 3.55, 3.78 A)
&rst
ixpk= 2544, nxpk= 20, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1222,1223,
&end
#
# 78 LYS HN 77 TYR HB+ 5.50 (# 2545:20 Unique 1.92, 2.68 A)
&rst
ixpk= 2545, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1222,1223,
&end
#
# 78 LYS HN 77 TYR HB- 5.50 (# 2546:20 Unique 1.92, 2.68 A)
&rst
ixpk= 2546, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1222,1223,
&end
#
# 78 LYS HN 78 LYS HA 5.50 (# 2548:20 Unique 2.91, 2.94 A)
&rst
ixpk= 2548, nxpk= 20, iat=1239,1241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LEU HN 78 LYS HA 5.50 (# 2549:20 Unique 2.14, 2.16 A)
&rst
ixpk= 2549, nxpk= 20, iat=1261,1241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 LYS HB+ 78 LYS HA 5.50 (# 2551:20 Unique 2.59, 2.84 A)
&rst
ixpk= 2551, nxpk= 20, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1243,1244,
&end
#
# 78 LYS HG+ 78 LYS HA 5.50 (# 2552:20 Unique 2.08, 2.92 A)
&rst
ixpk= 2552, nxpk= 20, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1246,1247,
&end
#
# 0 AMB 20-2:2553 78 LYS HA 5.50 (# 2553:20 Single Ambig)
&rst
ixpk= 2553, nxpk= 20, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1249,1250,1249,1250,1243,1244,
&end
#
# 78 LYS HG- 78 LYS HA 5.50 (# 2554:20 Unique 2.08, 2.92 A)
&rst
ixpk= 2554, nxpk= 20, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1246,1247,
&end
#
# 0 AMB 20-2:2555 78 LYS HB- 5.50 (# 2555:20 Single Ambig)
&rst
ixpk= 2555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1252,1253,1252,1253,
igr2=1243,1244,
&end
#
# 0 AMB 20-2:2556 0 AMB 20-1:2556 5.50 (# 2556:20 Double Ambig)
&rst
ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1252,1253,1252,1253,
igr2=1243,1244,1243,1244,
&end
#
# 78 LYS HA 78 LYS HB+ 5.50 (# 2557:20 Unique 2.59, 2.84 A)
&rst
ixpk= 2557, nxpk= 20, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1243,1244,
&end
#
# 78 LYS HA 78 LYS HB- 5.50 (# 2558:20 Unique 2.59, 2.84 A)
&rst
ixpk= 2558, nxpk= 20, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1243,1244,
&end
#
# 79 LEU HN 78 LYS HB+ 5.50 (# 2559:20 Unique 3.38, 4.13 A)
&rst
ixpk= 2559, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1243,1244,
&end
#
# 79 LEU HN 78 LYS HB- 5.50 (# 2560:20 Unique 3.38, 4.13 A)
&rst
ixpk= 2560, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1243,1244,
&end
#
# 78 LYS HN 78 LYS HB- 5.50 (# 2562:20 Unique 2.18, 2.85 A)
&rst
ixpk= 2562, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1243,1244,
&end
#
# 78 LYS HN 78 LYS HG+ 5.50 (# 2563:20 Unique 3.51, 4.36 A)
&rst
ixpk= 2563, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1246,1247,
&end
#
# 78 LYS HN 78 LYS HG- 5.50 (# 2564:20 Unique 3.51, 4.36 A)
&rst
ixpk= 2564, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1246,1247,
&end
#
# 0 AMB 20-2:2565 0 AMB 20-1:2565 5.50 (# 2565:20 Double Ambig)
&rst
ixpk= 2565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1990,1261,
igr2=2021,2022,1246,1247,
&end
#
# 0 AMB 20-2:2566 0 AMB 20-1:2566 5.50 (# 2566:20 Double Ambig)
&rst
ixpk= 2566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1824,1261,
igr2= 919,1246,1247,
&end
#
# 78 LYS HA 78 LYS HG+ 5.50 (# 2567:20 Unique 2.08, 2.92 A)
&rst
ixpk= 2567, nxpk= 20, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1246,1247,
&end
#
# 0 AMB 20-2:2568 0 AMB 20-1:2568 5.50 (# 2568:20 Double Ambig)
&rst
ixpk= 2568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1241, 914,
igr2=1246,1247, 919,
&end
#
# 78 LYS HB+ 78 LYS HG- 5.50 (# 2569:20 Unique 2.23, 2.61 A)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1243,1244,
igr2=1246,1247,
&end
#
# 0 AMB 20-2:2570 0 AMB 20-1:2570 5.50 (# 2570:20 Double Ambig)
&rst
ixpk= 2570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=1525,1526,1527,1522,1523,1522,1523,
igr2=1249,1250,1249,1250,1249,1250,
&end
#
# 0 AMB 20-2:2571 0 AMB 20-1:2571 3.50 (# 2571:20 Double Ambig)
&rst
ixpk= 2571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1252,1253,1252,1253,1252,1253,2478,2479,2478,2479,
igr2=1249,1250,1249,1250,1249,1250,2475,2476,
&end
#
# 78 LYS HA 0 AMB 20-1:2572 5.50 (# 2572:20 Single Ambig)
&rst
ixpk= 2572, nxpk= 20, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1249,1250,1249,1250,
&end
#
# 0 AMB 20-2:2573 0 AMB 20-1:2573 5.50 (# 2573:20 Double Ambig)
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1261, 810,
igr2=1249,1250,1249,1250, 790, 791,
&end
#
# 78 LYS HN 0 AMB 20-1:2574 5.50 (# 2574:20 Single Ambig)
&rst
ixpk= 2574, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1249,1250,1249,1250,
&end
#
# 79 LEU MDX 79 LEU HA 5.50 (# 2575:20 Unique 2.11, 4.07 A)
&rst
ixpk= 2575, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:2576 79 LEU HA 4.50 (# 2576:20 Single Ambig)
&rst
ixpk= 2576, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1270,1271,1272,1274,1275,1276,1349,1350,1351,1353,
1354,1355,
&end
#
# 79 LEU HB- 79 LEU HA 5.50 (# 2577:20 Unique 2.24, 2.63 A)
&rst
ixpk= 2577, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1265,1266,
&end
#
# 79 LEU HB+ 79 LEU HA 5.50 (# 2578:20 Unique 2.24, 2.63 A)
&rst
ixpk= 2578, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1265,1266,
&end
#
# 79 LEU HG 79 LEU HA 5.50 (# 2579:20 Unique 2.13, 3.44 A)
&rst
ixpk= 2579, nxpk= 20, iat=1268,1263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LEU HG 79 LEU HA 5.50 (# 2580:20 Unique 4.46, 5.30 A)
&rst
ixpk= 2580, nxpk= 20, iat=1347,1263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2581 79 LEU HA 5.50 (# 2581:20 Single Ambig)
&rst
ixpk= 2581, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,1301,1302,
&end
#
# 0 AMB 20-2:2582 79 LEU HA 5.50 (# 2582:20 Single Ambig)
&rst
ixpk= 2582, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1284,1285,1320,1321,
&end
#
# 80 PRO HD- 79 LEU HA 5.50 (# 2583:20 Unique 2.00, 2.27 A)
&rst
ixpk= 2583, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1281,1282,
&end
#
# 80 PRO HD+ 79 LEU HA 4.50 (# 2584:20 Unique 2.00, 2.27 A)
&rst
ixpk= 2584, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1281,1282,
&end
#
# 139 PHE HE 79 LEU HA 5.50 (# 2585:20 Unique 2.16, 3.76 A)
&rst
ixpk= 2585, nxpk= 20, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2279,2283,
&end
#
# 79 LEU HN 79 LEU HA 5.50 (# 2586:20 Unique 2.75, 2.86 A)
&rst
ixpk= 2586, nxpk= 20, iat=1261,1263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LEU HN 79 LEU HB+ 5.50 (# 2587:20 Unique 2.05, 3.16 A)
&rst
ixpk= 2587, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1265,1266,
&end
#
# 79 LEU HN 79 LEU HB- 5.50 (# 2588:20 Unique 2.05, 3.16 A)
&rst
ixpk= 2588, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1265,1266,
&end
#
# 79 LEU HA 79 LEU HB+ 5.50 (# 2589:20 Unique 2.24, 2.63 A)
&rst
ixpk= 2589, nxpk= 20, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1265,1266,
&end
#
# 79 LEU HA 79 LEU HB- 5.50 (# 2590:20 Unique 2.24, 2.63 A)
&rst
ixpk= 2590, nxpk= 20, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1265,1266,
&end
#
# 0 AMB 20-2:2591 0 AMB 20-1:2591 5.50 (# 2591:20 Double Ambig)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1284,1285,1301,1302,
igr2=1265,1266,1265,1266,
&end
#
# 83 LEU HB+ 79 LEU HB- 5.50 (# 2592:20 Unique 2.09, 4.70 A)
&rst
ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1344,1345,
igr2=1265,1266,
&end
#
# 83 LEU HB- 79 LEU HB+ 5.50 (# 2593:20 Unique 2.09, 4.70 A)
&rst
ixpk= 2593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1344,1345,
igr2=1265,1266,
&end
#
# 83 LEU HB- 79 LEU HB- 5.50 (# 2594:20 Unique 2.09, 4.70 A)
&rst
ixpk= 2594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1344,1345,
igr2=1265,1266,
&end
#
# 79 LEU HG 79 LEU HB+ 5.50 (# 2595:20 Unique 2.28, 2.73 A)
&rst
ixpk= 2595, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1265,1266,
&end
#
# 79 LEU HG 79 LEU HB- 5.50 (# 2596:20 Unique 2.28, 2.73 A)
&rst
ixpk= 2596, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1265,1266,
&end
#
# 0 AMB 20-2:2597 0 AMB 20-1:2597 4.50 (# 2597:20 Double Ambig)
&rst
ixpk= 2597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,1270,1271,1272,1274,1275,1276,
igr2=1265,1266,1265,1266,1265,1266,
&end
#
# 0 AMB 20-2:2598 79 LEU HB- 4.50 (# 2598:20 Single Ambig)
&rst
ixpk= 2598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,1270,1271,1272,1274,1275,1276,
igr2=1265,1266,
&end
#
# 79 LEU MDX 79 LEU HB- 4.50 (# 2599:20 Unique 2.00, 3.28 A)
&rst
ixpk= 2599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1265,1266,
&end
#
# 79 LEU MDX 79 LEU HB+ 5.50 (# 2600:20 Unique 2.00, 3.28 A)
&rst
ixpk= 2600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1265,1266,
&end
#
# 95 GLN HN 79 LEU HG 5.50 (# 2601:20 Unique 4.11, 5.09 A)
&rst
ixpk= 2601, nxpk= 20, iat=1538,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LEU HN 79 LEU HG 5.50 (# 2602:20 Unique 1.80, 2.29 A)
&rst
ixpk= 2602, nxpk= 20, iat=1261,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLY HN 79 LEU HG 5.50 (# 2603:20 Unique 3.40, 3.95 A)
&rst
ixpk= 2603, nxpk= 20, iat=1531,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 TYR HE 79 LEU HG 5.50 (# 2604:20 Unique 2.67, 6.40 A)
&rst
ixpk= 2604, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1228,1233,
&end
#
# 79 LEU HA 79 LEU HG 5.50 (# 2606:20 Unique 2.13, 3.44 A)
&rst
ixpk= 2606, nxpk= 20, iat=1263,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLY HA- 79 LEU HG 5.50 (# 2607:20 Unique 1.94, 3.47 A)
&rst
ixpk= 2607, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1533,1534,
&end
#
# 79 LEU HB- 79 LEU HG 5.50 (# 2608:20 Unique 2.28, 2.73 A)
&rst
ixpk= 2608, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1265,1266,
&end
#
# 79 LEU HB+ 79 LEU HG 5.50 (# 2609:20 Unique 2.28, 2.73 A)
&rst
ixpk= 2609, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1265,1266,
&end
#
# 0 AMB 20-2:2610 79 LEU HG 4.50 (# 2610:20 Single Ambig)
&rst
ixpk= 2610, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1270,1271,1272,1274,1275,1276,1349,1350,1351,1353,
1354,1355,
&end
#
# 79 LEU MDX 79 LEU HG 4.50 (# 2611:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2611, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 79 LEU HB- 79 LEU MDX 3.50 (# 2613:20 Unique 2.00, 3.28 A)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1265,1266,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 79 LEU HG 79 LEU MDX 2.80 (# 2614:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2614, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 102 LEU HB- 102 LEU MDX 2.80 (# 2615:20 Unique 2.16, 3.33 A)
&rst
ixpk= 2615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1683,1684,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 84 VAL HA 79 LEU MDX 5.50 (# 2616:20 Unique 2.66, 5.36 A)
&rst
ixpk= 2616, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 93 ILE HA 79 LEU MDX 5.50 (# 2618:20 Unique 3.67, 5.75 A)
&rst
ixpk= 2618, nxpk= 20, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 102 LEU HN 102 LEU MDX 5.50 (# 2619:20 Unique 2.23, 4.55 A)
&rst
ixpk= 2619, nxpk= 20, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 68 LEU HN 102 LEU MDX 5.50 (# 2620:20 Unique 3.23, 5.69 A)
&rst
ixpk= 2620, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 103 GLN HN 102 LEU MDX 4.50 (# 2621:20 Unique 2.22, 5.00 A)
&rst
ixpk= 2621, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 66 ARG HN 102 LEU MDX 5.50 (# 2622:20 Unique 1.85, 4.52 A)
&rst
ixpk= 2622, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 79 LEU HN 79 LEU MDX 5.50 (# 2623:20 Unique 1.94, 3.92 A)
&rst
ixpk= 2623, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:2624 0 AMB 20-1:2624 5.50 (# 2624:20 Double Ambig)
&rst
ixpk= 2624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1078,1388,
igr2=1688,1689,1690,1692,1693,1694,1270,1271,1272,1274,
1275,1276,
&end
#
# 0 AMB 20-2:2625 79 LEU MDX 5.50 (# 2625:20 Single Ambig)
&rst
ixpk= 2625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1226,1235,1359,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 102 LEU HA 102 LEU MDX 4.50 (# 2626:20 Unique 1.90, 3.66 A)
&rst
ixpk= 2626, nxpk= 20, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 67 ILE HA 102 LEU MDX 3.50 (# 2628:20 Unique 1.94, 4.16 A)
&rst
ixpk= 2628, nxpk= 20, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 79 LEU HA 79 LEU MDX 4.50 (# 2629:20 Unique 2.11, 4.07 A)
&rst
ixpk= 2629, nxpk= 20, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:2630 102 LEU MDX 5.50 (# 2630:20 Single Ambig)
&rst
ixpk= 2630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1644,1645,1644,1645,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 0 AMB 20-2:2631 0 AMB 20-1:2631 4.50 (# 2631:20 Double Ambig)
&rst
ixpk= 2631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1004,1542,1543,
igr2=1688,1689,1690,1692,1693,1694,1270,1271,1272,1274,
1275,1276,
&end
#
# 0 AMB 20-2:2632 0 AMB 20-1:2632 4.50 (# 2632:20 Double Ambig)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1284,1285,1044,1320,1321,1516,
igr2=1270,1271,1272,1274,1275,1276,1688,1689,1690,1692,
1693,1694,
&end
#
# 0 AMB 20-2:2633 102 LEU MDX 2.80 (# 2633:20 Single Ambig)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1050,1051, 224, 225, 755, 756, 827,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 102 LEU HG 102 LEU MDX 2.80 (# 2634:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2634, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 79 LEU HB- 79 LEU MDY 4.50 (# 2636:20 Unique 2.00, 3.28 A)
&rst
ixpk= 2636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1265,1266,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 79 LEU HG 79 LEU MDY 3.50 (# 2637:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2637, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 79 LEU HB+ 79 LEU MDY 4.50 (# 2638:20 Unique 2.00, 3.28 A)
&rst
ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1265,1266,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 80 PRO HB+ 79 LEU MDY 5.50 (# 2639:20 Unique 5.37, 8.21 A)
&rst
ixpk= 2639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1287,1288,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 80 PRO HD- 79 LEU MDY 5.50 (# 2640:20 Unique 2.43, 5.32 A)
&rst
ixpk= 2640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1281,1282,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 80 PRO HD+ 79 LEU MDY 5.50 (# 2641:20 Unique 2.43, 5.32 A)
&rst
ixpk= 2641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1281,1282,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 79 LEU HA 79 LEU MDY 3.50 (# 2643:20 Unique 2.11, 4.07 A)
&rst
ixpk= 2643, nxpk= 20, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:2644 79 LEU MDY 5.50 (# 2644:20 Single Ambig)
&rst
ixpk= 2644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1342,1290,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 77 TYR HE 79 LEU MDY 5.50 (# 2645:20 Unique 1.97, 5.75 A)
&rst
ixpk= 2645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1228,1233,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 139 PHE HD 79 LEU MDY 5.50 (# 2646:20 Unique 3.20, 7.36 A)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2277,2285,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 139 PHE HE 79 LEU MDY 5.50 (# 2647:20 Unique 1.98, 5.52 A)
&rst
ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2279,2283,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 79 LEU HN 79 LEU MDY 5.50 (# 2648:20 Unique 1.94, 3.92 A)
&rst
ixpk= 2648, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:2649 79 LEU MDY 5.50 (# 2649:20 Single Ambig)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1538,1375,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 81 LYS HN 80 PRO HA 2.80 (# 2650:20 Unique 2.22, 2.87 A)
&rst
ixpk= 2650, nxpk= 20, iat=1294,1290, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 LYS HA 80 PRO HA 5.50 (# 2652:20 Unique 4.31, 4.85 A)
&rst
ixpk= 2652, nxpk= 20, iat=1296,1290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2653 80 PRO HA 5.50 (# 2653:20 Single Ambig)
&rst
ixpk= 2653, nxpk= 20, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1281,1282,1252,1253,1252,1253,
&end
#
# 80 PRO HB+ 80 PRO HA 3.50 (# 2654:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2654, nxpk= 20, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1287,1288,
&end
#
# 0 AMB 20-2:2655 80 PRO HA 4.50 (# 2655:20 Single Ambig)
&rst
ixpk= 2655, nxpk= 20, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1298,1299,1298,1299,
&end
#
# 0 AMB 20-2:2656 80 PRO HA 5.50 (# 2656:20 Single Ambig)
&rst
ixpk= 2656, nxpk= 20, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1284,1285,1320,1321,
&end
#
# 0 AMB 20-2:2657 80 PRO HA 4.50 (# 2657:20 Single Ambig)
&rst
ixpk= 2657, nxpk= 20, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1287,1288,1301,1302,
&end
#
# 0 AMB 20-2:2658 0 AMB 20-1:2658 4.50 (# 2658:20 Double Ambig)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1304,1305,1304,1305,1284,1285,1940,1941,
igr2=1290,1932,
&end
#
# 0 AMB 20-2:2659 0 AMB 20-1:2659 5.50 (# 2659:20 Double Ambig)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,1270,1271,1272,1274,1275,1276,
igr2=1287,1288,1287,1288,1287,1288,
&end
#
# 0 AMB 20-2:2660 80 PRO HB- 5.50 (# 2660:20 Single Ambig)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,1270,1271,1272,1274,1275,1276,
igr2=1287,1288,
&end
#
# 0 AMB 20-2:2661 0 AMB 20-1:2661 3.50 (# 2661:20 Double Ambig)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1284,1285,1320,1321,
igr2=1287,1288,1287,1288,
&end
#
# 80 PRO HD- 80 PRO HB+ 5.50 (# 2662:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1281,1282,
igr2=1287,1288,
&end
#
# 0 AMB 20-2:2663 0 AMB 20-1:2663 5.50 (# 2663:20 Double Ambig)
&rst
ixpk= 2663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1281,1282,2273,2274,
igr2=1287,1288,1287,1288,
&end
#
# 80 PRO HD+ 80 PRO HB- 5.50 (# 2664:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1281,1282,
igr2=1287,1288,
&end
#
# 80 PRO HD- 80 PRO HB- 5.50 (# 2665:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1281,1282,
igr2=1287,1288,
&end
#
# 80 PRO HA 80 PRO HB+ 4.50 (# 2666:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2666, nxpk= 20, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1287,1288,
&end
#
# 80 PRO HA 80 PRO HB- 4.50 (# 2667:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2667, nxpk= 20, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1287,1288,
&end
#
# 83 LEU HN 80 PRO HB+ 5.50 (# 2668:20 Unique 3.65, 5.85 A)
&rst
ixpk= 2668, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1287,1288,
&end
#
# 83 LEU HN 80 PRO HB- 5.50 (# 2669:20 Unique 3.65, 5.85 A)
&rst
ixpk= 2669, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1287,1288,
&end
#
# 82 ARG HN 80 PRO HB- 5.50 (# 2670:20 Unique 2.18, 4.31 A)
&rst
ixpk= 2670, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1287,1288,
&end
#
# 81 LYS HN 80 PRO HB- 5.50 (# 2671:20 Unique 2.64, 4.27 A)
&rst
ixpk= 2671, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1287,1288,
&end
#
# 82 ARG HN 80 PRO HB+ 5.50 (# 2672:20 Unique 2.18, 4.31 A)
&rst
ixpk= 2672, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1287,1288,
&end
#
# 81 LYS HN 80 PRO HB+ 5.50 (# 2673:20 Unique 2.64, 4.27 A)
&rst
ixpk= 2673, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1287,1288,
&end
#
# 83 LEU HN 80 PRO HG- 5.50 (# 2674:20 Unique 2.39, 4.72 A)
&rst
ixpk= 2674, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1284,1285,
&end
#
# 83 LEU HN 80 PRO HG+ 5.50 (# 2675:20 Unique 2.39, 4.72 A)
&rst
ixpk= 2675, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1284,1285,
&end
#
# 142 ASP HA 145 ARG HG+ 5.50 (# 2676:20 Unique 1.99, 4.50 A)
&rst
ixpk= 2676, nxpk= 20, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2391,2392,
&end
#
# 0 AMB 20-2:2677 0 AMB 20-1:2677 5.50 (# 2677:20 Double Ambig)
&rst
ixpk= 2677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1290,1342,
igr2=1284,1285,1284,1285,
&end
#
# 80 PRO HD- 80 PRO HG+ 5.50 (# 2678:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1281,1282,
igr2=1284,1285,
&end
#
# 80 PRO HD- 80 PRO HG- 5.50 (# 2679:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1281,1282,
igr2=1284,1285,
&end
#
# 0 AMB 20-2:2680 0 AMB 20-1:2680 5.50 (# 2680:20 Double Ambig)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1281,1282,2273,2274,
igr2=1284,1285,1284,1285,
&end
#
# 0 AMB 20-2:2681 80 PRO HG- 5.50 (# 2681:20 Single Ambig)
&rst
ixpk= 2681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1281,1282,2273,2274,
igr2=1284,1285,
&end
#
# 80 PRO HB+ 80 PRO HG+ 5.50 (# 2682:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1284,1285,
&end
#
# 80 PRO HB+ 80 PRO HG- 5.50 (# 2683:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1284,1285,
&end
#
# 0 AMB 20-2:2684 0 AMB 20-1:2684 5.50 (# 2684:20 Double Ambig)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,
igr2=1284,1285,1284,1285,
&end
#
# 0 AMB 20-2:2685 80 PRO HG- 5.50 (# 2685:20 Single Ambig)
&rst
ixpk= 2685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,
igr2=1284,1285,
&end
#
# 0 AMB 20-2:2686 0 AMB 20-1:2686 5.50 (# 2686:20 Double Ambig)
&rst
ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,1270,1271,1272,1274,1275,1276,
igr2=1281,1282,1281,1282,1281,1282,
&end
#
# 0 AMB 20-2:2687 80 PRO HD- 4.50 (# 2687:20 Single Ambig)
&rst
ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,1270,1271,1272,1274,1275,1276,
igr2=1281,1282,
&end
#
# 0 AMB 20-2:2689 0 AMB 20-1:2689 5.50 (# 2689:20 Double Ambig)
&rst
ixpk= 2689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1344,1345,1323,1324,
igr2=1281,1282,1281,1282,
&end
#
# 83 LEU HG 80 PRO HD- 5.50 (# 2690:20 Unique 2.86, 4.68 A)
&rst
ixpk= 2690, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1281,1282,
&end
#
# 0 AMB 20-2:2691 80 PRO HD- 5.50 (# 2691:20 Single Ambig)
&rst
ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1344,1345,1323,1324,
igr2=1281,1282,
&end
#
# 80 PRO HG+ 80 PRO HD+ 5.50 (# 2692:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1284,1285,
igr2=1281,1282,
&end
#
# 80 PRO HG- 80 PRO HD+ 5.50 (# 2693:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1284,1285,
igr2=1281,1282,
&end
#
# 80 PRO HG+ 80 PRO HD- 5.50 (# 2694:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1284,1285,
igr2=1281,1282,
&end
#
# 80 PRO HB- 80 PRO HD- 5.50 (# 2695:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1281,1282,
&end
#
# 80 PRO HB+ 80 PRO HD+ 5.50 (# 2696:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1281,1282,
&end
#
# 80 PRO HB+ 80 PRO HD- 5.50 (# 2697:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1281,1282,
&end
#
# 79 LEU HA 80 PRO HD+ 5.50 (# 2698:20 Unique 2.00, 2.27 A)
&rst
ixpk= 2698, nxpk= 20, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1281,1282,
&end
#
# 79 LEU HA 80 PRO HD- 5.50 (# 2699:20 Unique 2.00, 2.27 A)
&rst
ixpk= 2699, nxpk= 20, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1281,1282,
&end
#
# 0 AMB 20-2:2700 0 AMB 20-1:2700 5.50 (# 2700:20 Double Ambig)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1290,1342,
igr2=1281,1282,1281,1282,
&end
#
# 84 VAL MGX 81 LYS HA 5.50 (# 2702:20 Unique 1.98, 4.11 A)
&rst
ixpk= 2702, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 84 VAL MGY 81 LYS HA 4.50 (# 2703:20 Unique 1.98, 4.11 A)
&rst
ixpk= 2703, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2705 81 LYS HA 4.50 (# 2705:20 Single Ambig)
&rst
ixpk= 2705, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1363,1301,1302,
&end
#
# 0 AMB 20-2:2706 81 LYS HA 4.50 (# 2706:20 Single Ambig)
&rst
ixpk= 2706, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1284,1285,1249,1250,1249,1250,1243,1244,
&end
#
# 0 AMB 20-2:2707 81 LYS HA 3.50 (# 2707:20 Single Ambig)
&rst
ixpk= 2707, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1298,1299,1298,1299,
&end
#
# 0 AMB 20-2:2708 81 LYS HA 5.50 (# 2708:20 Single Ambig)
&rst
ixpk= 2708, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1307,1308,1307,1308,
&end
#
# 0 AMB 20-2:2709 81 LYS HA 5.50 (# 2709:20 Single Ambig)
&rst
ixpk= 2709, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1290,1342,
&end
#
# 84 VAL HN 81 LYS HA 5.50 (# 2710:20 Unique 2.60, 3.25 A)
&rst
ixpk= 2710, nxpk= 20, iat=1359,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG HE 81 LYS HA 5.50 (# 2711:20 Unique 5.57, 6.63 A)
&rst
ixpk= 2711, nxpk= 20, iat=1329,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LEU HN 81 LYS HA 5.50 (# 2712:20 Unique 3.50, 3.79 A)
&rst
ixpk= 2712, nxpk= 20, iat=1340,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG HN 81 LYS HA 5.50 (# 2713:20 Unique 2.79, 3.01 A)
&rst
ixpk= 2713, nxpk= 20, iat=1316,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LYS HN 81 LYS HA 4.50 (# 2714:20 Unique 2.27, 2.36 A)
&rst
ixpk= 2714, nxpk= 20, iat=1294,1296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 TRP HE1 81 LYS HA 5.50 (# 2715:20 Unique 2.13, 3.08 A)
&rst
ixpk= 2715, nxpk= 20, iat=1409,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LYS HN 81 LYS HB+ 4.50 (# 2716:20 Unique 2.53, 3.61 A)
&rst
ixpk= 2716, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1298,1299,
&end
#
# 81 LYS HN 81 LYS HB- 4.50 (# 2717:20 Unique 2.53, 3.61 A)
&rst
ixpk= 2717, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1298,1299,
&end
#
# 0 AMB 20-2:2718 0 AMB 20-1:2718 4.50 (# 2718:20 Double Ambig)
&rst
ixpk= 2718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1890,1891,1296,
igr2=1929,1930,1298,1299,
&end
#
# 81 LYS HA 81 LYS HB- 4.50 (# 2719:20 Unique 2.27, 2.70 A)
&rst
ixpk= 2719, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1298,1299,
&end
#
# 0 AMB 20-2:2720 0 AMB 20-1:2720 5.50 (# 2720:20 Double Ambig)
&rst
ixpk= 2720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1307,1308,1307,1308,
igr2=1298,1299,1298,1299,
&end
#
# 84 VAL MGY 81 LYS HG+ 5.50 (# 2721:20 Unique 2.92, 6.38 A)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1301,1302,
&end
#
# 84 VAL MGY 81 LYS HG- 5.50 (# 2722:20 Unique 2.92, 6.38 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1301,1302,
&end
#
# 81 LYS HB- 81 LYS HG- 4.50 (# 2723:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1298,1299,
igr2=1301,1302,
&end
#
# 0 AMB 20-2:2724 0 AMB 20-1:2724 4.50 (# 2724:20 Double Ambig)
&rst
ixpk= 2724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1298,1299,2469,2470,
igr2=1301,1302,2472,2473,
&end
#
# 81 LYS HB- 81 LYS HG+ 4.50 (# 2725:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1298,1299,
igr2=1301,1302,
&end
#
# 81 LYS HB+ 81 LYS HG+ 4.50 (# 2726:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1298,1299,
igr2=1301,1302,
&end
#
# 0 AMB 20-2:2727 0 AMB 20-1:2727 5.50 (# 2727:20 Double Ambig)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1307,1308,1307,1308,
igr2=1301,1302,1301,1302,
&end
#
# 0 AMB 20-2:2728 0 AMB 20-1:2728 4.50 (# 2728:20 Double Ambig)
&rst
ixpk= 2728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1307,1308,1307,1308,2478,2479,2478,2479,
igr2=1301,1302,2472,2473,
&end
#
# 81 LYS HA 81 LYS HG+ 5.50 (# 2729:20 Unique 2.07, 3.25 A)
&rst
ixpk= 2729, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1301,1302,
&end
#
# 81 LYS HA 81 LYS HG- 5.50 (# 2730:20 Unique 2.07, 3.25 A)
&rst
ixpk= 2730, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1301,1302,
&end
#
# 80 PRO HA 81 LYS HG+ 5.50 (# 2731:20 Unique 2.95, 4.80 A)
&rst
ixpk= 2731, nxpk= 20, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1301,1302,
&end
#
# 0 AMB 20-2:2732 0 AMB 20-1:2732 5.50 (# 2732:20 Double Ambig)
&rst
ixpk= 2732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2467,1290,
igr2=2472,2473,1301,1302,
&end
#
# 82 ARG HE 81 LYS HG+ 5.50 (# 2733:20 Unique 3.61, 7.49 A)
&rst
ixpk= 2733, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1301,1302,
&end
#
# 0 AMB 20-2:2734 0 AMB 20-1:2734 5.50 (# 2734:20 Double Ambig)
&rst
ixpk= 2734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2397,2279,2283,
igr2=2472,2473,1301,1302,
&end
#
# 81 LYS HN 81 LYS HG+ 5.50 (# 2735:20 Unique 2.15, 3.58 A)
&rst
ixpk= 2735, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1301,1302,
&end
#
# 81 LYS HN 81 LYS HG- 5.50 (# 2736:20 Unique 2.15, 3.58 A)
&rst
ixpk= 2736, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1301,1302,
&end
#
# 81 LYS HN 0 AMB 20-1:2737 5.50 (# 2737:20 Single Ambig)
&rst
ixpk= 2737, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1304,1305,1304,1305,
&end
#
# 81 LYS HA 0 AMB 20-1:2738 5.50 (# 2738:20 Single Ambig)
&rst
ixpk= 2738, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1304,1305,1304,1305,
&end
#
# 0 AMB 20-2:2739 0 AMB 20-1:2739 2.80 (# 2739:20 Double Ambig)
&rst
ixpk= 2739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1307,1308,1307,1308,1307,1308,1252,1253,1252,1253,
1252,1253,1307,1308,
igr2=1249,1250,1249,1250,1249,1250,1249,1250,1249,1250,
1304,1305,1304,1305,1304,1305,
&end
#
# 84 VAL MGY 0 AMB 20-1:2740 5.50 (# 2740:20 Single Ambig)
&rst
ixpk= 2740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1304,1305,1304,1305,
&end
#
# 82 ARG HN 82 ARG HA 4.50 (# 2741:20 Unique 2.73, 2.90 A)
&rst
ixpk= 2741, nxpk= 20, iat=1316,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 VAL HN 82 ARG HA 5.50 (# 2742:20 Unique 3.97, 4.40 A)
&rst
ixpk= 2742, nxpk= 20, iat=1359,1318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 PRO HD+ 118 THR HA 3.50 (# 2743:20 Unique 2.01, 2.60 A)
&rst
ixpk= 2743, nxpk= 20, iat= -1,1910, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1923,1924,
&end
#
# 119 PRO HD- 118 THR HA 3.50 (# 2744:20 Unique 2.01, 2.60 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1,1910, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1923,1924,
&end
#
# 118 THR MG2 118 THR HA 3.50 (# 2745:20 Unique 2.13, 3.00 A)
&rst
ixpk= 2745, nxpk= 20, iat= -1,1910, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1914,1915,1916,
&end
#
# 0 AMB 20-2:2746 82 ARG HA 5.50 (# 2746:20 Single Ambig)
&rst
ixpk= 2746, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1349,1350,1351,1353,1354,1355,1270,1271,1272,1274,
1275,1276,
&end
#
# 82 ARG HN 82 ARG HB- 4.50 (# 2747:20 Unique 2.19, 3.21 A)
&rst
ixpk= 2747, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1320,1321,
&end
#
# 82 ARG HN 82 ARG HB+ 5.50 (# 2748:20 Unique 2.19, 3.21 A)
&rst
ixpk= 2748, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1320,1321,
&end
#
# 82 ARG HA 82 ARG HB- 3.50 (# 2749:20 Unique 2.27, 2.47 A)
&rst
ixpk= 2749, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2750 82 ARG HB- 4.50 (# 2750:20 Single Ambig)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1326,1327,1326,1327,
igr2=1320,1321,
&end
#
# 0 AMB 20-2:2751 0 AMB 20-1:2751 5.50 (# 2751:20 Double Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1316,1555,
igr2=1323,1324, 111, 112,
&end
#
# 82 ARG HN 82 ARG HG- 5.50 (# 2752:20 Unique 2.13, 2.98 A)
&rst
ixpk= 2752, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1323,1324,
&end
#
# 83 LEU HN 82 ARG HG+ 5.50 (# 2753:20 Unique 1.94, 2.97 A)
&rst
ixpk= 2753, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1323,1324,
&end
#
# 83 LEU HN 82 ARG HG- 5.50 (# 2754:20 Unique 1.94, 2.97 A)
&rst
ixpk= 2754, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1323,1324,
&end
#
# 82 ARG HB+ 82 ARG HG- 3.50 (# 2755:20 Unique 2.21, 2.72 A)
&rst
ixpk= 2755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1320,1321,
igr2=1323,1324,
&end
#
# 82 ARG HN 0 AMB 20-1:2757 5.50 (# 2757:20 Single Ambig)
&rst
ixpk= 2757, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1326,1327,1326,1327,
&end
#
# 82 ARG HE 0 AMB 20-1:2758 5.50 (# 2758:20 Single Ambig)
&rst
ixpk= 2758, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1326,1327,1326,1327,
&end
#
# 0 AMB 20-2:2759 0 AMB 20-1:2759 5.50 (# 2759:20 Double Ambig)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1101,1318,
igr2=1123,1124,1123,1124,1326,1327,1326,1327,
&end
#
# 0 AMB 20-2:2760 0 AMB 20-1:2760 2.80 (# 2760:20 Double Ambig)
&rst
ixpk= 2760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1320,1321,1320,1321,2388,2389,2388,2389,2388,2389,
igr2=1326,1327,1326,1327,2394,2395,2394,2395,2394,2395,
&end
#
# 0 AMB 20-2:2761 83 LEU HA 3.50 (# 2761:20 Single Ambig)
&rst
ixpk= 2761, nxpk= 20, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,
&end
#
# 83 LEU HB+ 83 LEU HA 4.50 (# 2762:20 Unique 2.31, 2.66 A)
&rst
ixpk= 2762, nxpk= 20, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1344,1345,
&end
#
# 0 AMB 20-2:2763 83 LEU HA 4.50 (# 2763:20 Single Ambig)
&rst
ixpk= 2763, nxpk= 20, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1344,1345,1323,1324,
&end
#
# 83 LEU HG 83 LEU HA 4.50 (# 2764:20 Unique 2.79, 3.46 A)
&rst
ixpk= 2764, nxpk= 20, iat=1347,1342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2765 83 LEU HA 5.50 (# 2765:20 Single Ambig)
&rst
ixpk= 2765, nxpk= 20, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1320,1321,1298,1299,
&end
#
# 84 VAL HN 83 LEU HA 5.50 (# 2766:20 Unique 3.27, 3.42 A)
&rst
ixpk= 2766, nxpk= 20, iat=1359,1342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LEU HN 83 LEU HA 5.50 (# 2767:20 Unique 2.76, 2.93 A)
&rst
ixpk= 2767, nxpk= 20, iat=1340,1342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG HN 83 LEU HA 5.50 (# 2768:20 Unique 4.58, 4.85 A)
&rst
ixpk= 2768, nxpk= 20, iat=1316,1342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2769 0 AMB 20-1:2769 3.50 (# 2769:20 Double Ambig)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1270,1271,1272,1274,1275,1276,1349,1350,1351,1353,
1354,1355,1349,1350,1351,1353,1354,1355,
igr2=1344,1345,1344,1345,1344,1345,
&end
#
# 0 AMB 20-2:2770 83 LEU HB- 3.50 (# 2770:20 Single Ambig)
&rst
ixpk= 2770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1270,1271,1272,1274,1275,1276,1349,1350,1351,1353,
1354,1355,1349,1350,1351,1353,1354,1355,
igr2=1344,1345,
&end
#
# 79 LEU MDX 83 LEU HB+ 5.50 (# 2771:20 Unique 1.96, 4.80 A)
&rst
ixpk= 2771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1344,1345,
&end
#
# 79 LEU MDX 83 LEU HB- 5.50 (# 2772:20 Unique 1.96, 4.80 A)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1344,1345,
&end
#
# 79 LEU HB- 83 LEU HB+ 5.50 (# 2773:20 Unique 2.09, 4.70 A)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1265,1266,
igr2=1344,1345,
&end
#
# 79 LEU HB- 83 LEU HB- 5.50 (# 2774:20 Unique 2.09, 4.70 A)
&rst
ixpk= 2774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1265,1266,
igr2=1344,1345,
&end
#
# 83 LEU HG 83 LEU HB+ 4.50 (# 2775:20 Unique 2.36, 2.69 A)
&rst
ixpk= 2775, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1344,1345,
&end
#
# 83 LEU HG 83 LEU HB- 4.50 (# 2776:20 Unique 2.36, 2.69 A)
&rst
ixpk= 2776, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1344,1345,
&end
#
# 83 LEU HA 83 LEU HB+ 5.50 (# 2777:20 Unique 2.31, 2.66 A)
&rst
ixpk= 2777, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1344,1345,
&end
#
# 83 LEU HA 83 LEU HB- 5.50 (# 2778:20 Unique 2.31, 2.66 A)
&rst
ixpk= 2778, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1344,1345,
&end
#
# 84 VAL HN 83 LEU HB+ 5.50 (# 2779:20 Unique 2.65, 3.67 A)
&rst
ixpk= 2779, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1344,1345,
&end
#
# 84 VAL HN 83 LEU HB- 5.50 (# 2780:20 Unique 2.65, 3.67 A)
&rst
ixpk= 2780, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1344,1345,
&end
#
# 83 LEU HN 83 LEU HB+ 5.50 (# 2781:20 Unique 2.09, 3.13 A)
&rst
ixpk= 2781, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1344,1345,
&end
#
# 83 LEU HN 83 LEU HB- 5.50 (# 2782:20 Unique 2.09, 3.13 A)
&rst
ixpk= 2782, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1344,1345,
&end
#
# 83 LEU HN 83 LEU HG 5.50 (# 2783:20 Unique 2.23, 2.94 A)
&rst
ixpk= 2783, nxpk= 20, iat=1340,1347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 VAL HN 83 LEU HG 5.50 (# 2784:20 Unique 2.36, 4.09 A)
&rst
ixpk= 2784, nxpk= 20, iat=1359,1347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2785 0 AMB 20-1:2785 4.50 (# 2785:20 Double Ambig)
&rst
ixpk= 2785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1385,1386,1385,1386,2273,2274,1385,1386,
igr2= 31, 32,1347,
&end
#
# 83 LEU HG 83 LEU MDX 2.80 (# 2786:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2786, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 0 AMB 20-2:2787 83 LEU MDX 3.50 (# 2787:20 Single Ambig)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1323,1324,1344,1345,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 83 LEU HB+ 83 LEU MDX 2.80 (# 2788:20 Unique 2.03, 3.31 A)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1344,1345,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 0 AMB 20-2:2789 83 LEU MDX 4.50 (# 2789:20 Single Ambig)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1284,1285,1320,1321,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 80 PRO HB+ 83 LEU MDX 5.50 (# 2790:20 Unique 4.56, 8.22 A)
&rst
ixpk= 2790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1287,1288,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 80 PRO HD- 83 LEU MDX 4.50 (# 2791:20 Unique 2.06, 6.07 A)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1281,1282,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 0 AMB 20-2:2792 83 LEU MDX 5.50 (# 2792:20 Single Ambig)
&rst
ixpk= 2792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1326,1327,1326,1327,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 80 PRO HD+ 83 LEU MDX 4.50 (# 2793:20 Unique 2.06, 6.07 A)
&rst
ixpk= 2793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1281,1282,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 79 LEU HA 83 LEU MDX 5.50 (# 2794:20 Unique 3.40, 6.62 A)
&rst
ixpk= 2794, nxpk= 20, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 83 LEU HA 83 LEU MDX 4.50 (# 2795:20 Unique 2.02, 3.90 A)
&rst
ixpk= 2795, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 84 VAL HN 83 LEU MDX 5.50 (# 2796:20 Unique 3.27, 5.48 A)
&rst
ixpk= 2796, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 95 GLN HE2+ 83 LEU MDX 5.50 (# 2797:20 Unique 2.04, 6.14 A)
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1550,1551,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 139 PHE HE 83 LEU MDX 5.50 (# 2798:20 Unique 1.99, 6.05 A)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2279,2283,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 83 LEU HN 83 LEU MDX 5.50 (# 2799:20 Unique 2.77, 4.53 A)
&rst
ixpk= 2799, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 82 ARG HN 83 LEU MDX 5.50 (# 2800:20 Unique 3.97, 6.06 A)
&rst
ixpk= 2800, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 83 LEU HN 83 LEU MDY 5.50 (# 2802:20 Unique 2.77, 4.53 A)
&rst
ixpk= 2802, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 84 VAL HN 83 LEU MDY 5.50 (# 2803:20 Unique 3.27, 5.48 A)
&rst
ixpk= 2803, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 0 AMB 20-2:2805 0 AMB 20-1:2805 4.50 (# 2805:20 Double Ambig)
&rst
ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1284,1285, 310, 311,1320,1321,
igr2=1349,1350,1351,1353,1354,1355, 329, 330, 331, 333,
334, 335,
&end
#
# 0 AMB 20-2:2806 0 AMB 20-1:2806 2.80 (# 2806:20 Double Ambig)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2159,2160,1344,1345,
igr2= 329, 330, 331, 333, 334, 335,1349,1350,1351,1353,
1354,1355,
&end
#
# 0 AMB 20-2:2807 0 AMB 20-1:2807 2.80 (# 2807:20 Double Ambig)
&rst
ixpk= 2807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1347,2162,2163,
igr2=1349,1350,1351,1353,1354,1355, 329, 330, 331, 333,
334, 335,
&end
#
# 0 AMB 20-2:2808 83 LEU MDY 3.50 (# 2808:20 Single Ambig)
&rst
ixpk= 2808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1323,1324,1344,1345,
igr2=1349,1350,1351,1353,1354,1355,
&end
#
# 84 VAL MGX 84 VAL HA 4.50 (# 2809:20 Unique 2.16, 3.11 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2810 111 ILE HA 5.50 (# 2810:20 Single Ambig)
&rst
ixpk= 2810, nxpk= 20, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 0 AMB 20-2:2811 0 AMB 20-1:2811 3.50 (# 2811:20 Double Ambig)
&rst
ixpk= 2811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1365,1366,1367,1369,1370,1371, 895, 896, 897, 899,
900, 901, 895, 896, 897, 899, 900, 901,
igr2=1361,1807,
&end
#
# 0 AMB 20-2:2812 0 AMB 20-1:2812 4.50 (# 2812:20 Double Ambig)
&rst
ixpk= 2812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1809,1363,1382,1383,
igr2=1807,1361,
&end
#
# 0 AMB 20-2:2813 84 VAL HA 5.50 (# 2813:20 Single Ambig)
&rst
ixpk= 2813, nxpk= 20, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1382,1383,1379,1380,
&end
#
# 0 AMB 20-2:2814 0 AMB 20-1:2814 5.50 (# 2814:20 Double Ambig)
&rst
ixpk= 2814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1794,1795,1379,1380,1849,1850,1851,1842,1843,
igr2=1807,1361,
&end
#
# 0 AMB 20-2:2815 0 AMB 20-1:2815 5.50 (# 2815:20 Double Ambig)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 891,1342,
igr2=1807,1361,
&end
#
# 85 ARG HA 84 VAL HA 5.50 (# 2816:20 Unique 4.35, 4.38 A)
&rst
ixpk= 2816, nxpk= 20, iat=1377,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 VAL HN 84 VAL HA 5.50 (# 2818:20 Unique 2.75, 2.82 A)
&rst
ixpk= 2818, nxpk= 20, iat=1359,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 ASN HN 111 ILE HA 4.50 (# 2819:20 Unique 2.14, 2.19 A)
&rst
ixpk= 2819, nxpk= 20, iat=1824,1807, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 ARG HN 84 VAL HA 3.50 (# 2820:20 Unique 2.15, 2.26 A)
&rst
ixpk= 2820, nxpk= 20, iat=1375,1361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 TRP HE1 84 VAL HA 5.50 (# 2821:20 Unique 4.86, 4.99 A)
&rst
ixpk= 2821, nxpk= 20, iat=1409,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 TRP HE1 84 VAL HB 5.50 (# 2822:20 Unique 1.92, 2.13 A)
&rst
ixpk= 2822, nxpk= 20, iat=1409,1363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2823 84 VAL HB 5.50 (# 2823:20 Single Ambig)
&rst
ixpk= 2823, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1375,1501,
&end
#
# 83 LEU HN 84 VAL HB 5.50 (# 2824:20 Unique 4.09, 4.46 A)
&rst
ixpk= 2824, nxpk= 20, iat=1340,1363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2825 0 AMB 20-1:2825 5.50 (# 2825:20 Double Ambig)
&rst
ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1407,2226,
igr2=1363,2216,2217,
&end
#
# 0 AMB 20-2:2826 0 AMB 20-1:2826 4.50 (# 2826:20 Double Ambig)
&rst
ixpk= 2826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 369,2209,
igr2=2216,2217,2216,2217,
&end
#
# 81 LYS HA 84 VAL HB 5.50 (# 2827:20 Unique 1.94, 2.86 A)
&rst
ixpk= 2827, nxpk= 20, iat=1296,1363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 VAL HA 84 VAL HB 5.50 (# 2828:20 Unique 3.00, 3.02 A)
&rst
ixpk= 2828, nxpk= 20, iat=1361,1363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LYS HB- 84 VAL HB 5.50 (# 2829:20 Unique 3.36, 4.84 A)
&rst
ixpk= 2829, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1298,1299,
&end
#
# 84 VAL MGY 84 VAL HB 3.50 (# 2830:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2830, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 84 VAL MGX 84 VAL HB 3.50 (# 2831:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2831, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 91 VAL MGX 84 VAL MGX 3.50 (# 2832:20 Unique 1.99, 5.94 A)
&rst
ixpk= 2832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1491,1492,1493,1495,1496,1497,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 93 ILE QG2 84 VAL MGX 4.50 (# 2833:20 Unique 3.41, 6.23 A)
&rst
ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1518,1519,1520,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 91 VAL MGY 84 VAL MGX 5.50 (# 2835:20 Unique 1.99, 5.94 A)
&rst
ixpk= 2835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1491,1492,1493,1495,1496,1497,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2836 84 VAL MGX 3.50 (# 2836:20 Single Ambig)
&rst
ixpk= 2836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1363,1301,1302,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 79 LEU HG 84 VAL MGX 5.50 (# 2837:20 Unique 2.43, 4.95 A)
&rst
ixpk= 2837, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 79 LEU HB+ 84 VAL MGX 5.50 (# 2838:20 Unique 2.00, 5.18 A)
&rst
ixpk= 2838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1265,1266,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2839 84 VAL MGX 5.50 (# 2839:20 Single Ambig)
&rst
ixpk= 2839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1304,1305,1304,1305,1489,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2840 84 VAL MGX 5.50 (# 2840:20 Single Ambig)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1307,1308,1307,1308,1403,1404,1252,1253,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 84 VAL HA 84 VAL MGX 4.50 (# 2841:20 Unique 2.16, 3.11 A)
&rst
ixpk= 2841, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 91 VAL HA 84 VAL MGX 5.50 (# 2842:20 Unique 3.94, 6.10 A)
&rst
ixpk= 2842, nxpk= 20, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 81 LYS HA 84 VAL MGX 5.50 (# 2843:20 Unique 1.98, 4.11 A)
&rst
ixpk= 2843, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 93 ILE HA 84 VAL MGX 4.50 (# 2844:20 Unique 2.26, 4.22 A)
&rst
ixpk= 2844, nxpk= 20, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 85 ARG HA 84 VAL MGX 5.50 (# 2845:20 Unique 3.83, 5.86 A)
&rst
ixpk= 2845, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 84 VAL HN 84 VAL MGX 5.50 (# 2846:20 Unique 1.92, 3.70 A)
&rst
ixpk= 2846, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2848 84 VAL MGX 5.50 (# 2848:20 Single Ambig)
&rst
ixpk= 2848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1531,1418,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 83 LEU HN 84 VAL MGX 5.50 (# 2849:20 Unique 2.72, 5.35 A)
&rst
ixpk= 2849, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 86 TRP HN 84 VAL MGX 5.50 (# 2850:20 Unique 1.89, 4.43 A)
&rst
ixpk= 2850, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2851 84 VAL MGX 4.50 (# 2851:20 Single Ambig)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1375,1501,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 87 ASP HN 84 VAL MGX 5.50 (# 2852:20 Unique 4.43, 6.85 A)
&rst
ixpk= 2852, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 86 TRP HE1 84 VAL MGX 5.50 (# 2853:20 Unique 2.72, 4.09 A)
&rst
ixpk= 2853, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2855 0 AMB 20-1:2855 2.80 (# 2855:20 Double Ambig)
&rst
ixpk= 2855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 224, 225,1363, 827,
igr2= 895, 896, 897, 899, 900, 901,1365,1366,1367,1369,
1370,1371,
&end
#
# 0 AMB 20-2:2856 0 AMB 20-1:2856 3.50 (# 2856:20 Double Ambig)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1361,1807,
igr2=1365,1366,1367,1369,1370,1371, 895, 896, 897, 899,
900, 901,
&end
#
# 81 LYS HA 84 VAL MGY 4.50 (# 2857:20 Unique 1.98, 4.11 A)
&rst
ixpk= 2857, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 93 ILE HA 84 VAL MGY 4.50 (# 2858:20 Unique 2.26, 4.22 A)
&rst
ixpk= 2858, nxpk= 20, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 84 VAL HN 84 VAL MGY 3.50 (# 2859:20 Unique 1.92, 3.70 A)
&rst
ixpk= 2859, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 59 GLY HN 58 VAL MGY 5.50 (# 2860:20 Unique 2.10, 4.38 A)
&rst
ixpk= 2860, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 83 LEU HN 84 VAL MGY 5.50 (# 2861:20 Unique 2.72, 5.35 A)
&rst
ixpk= 2861, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2862 84 VAL MGY 5.50 (# 2862:20 Single Ambig)
&rst
ixpk= 2862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1375,1501,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 81 LYS HN 84 VAL MGY 5.50 (# 2863:20 Unique 2.67, 5.36 A)
&rst
ixpk= 2863, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1365,1366,1367,1369,1370,1371,
&end
#
# 87 ASP HN 85 ARG HA 5.50 (# 2864:20 Unique 3.67, 4.57 A)
&rst
ixpk= 2864, nxpk= 20, iat=1423,1377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 TRP HN 85 ARG HA 3.50 (# 2865:20 Unique 2.16, 3.28 A)
&rst
ixpk= 2865, nxpk= 20, iat=1399,1377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2866 0 AMB 20-1:2866 5.50 (# 2866:20 Double Ambig)
&rst
ixpk= 2866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1388, 380,
igr2=1377, 553,
&end
#
# 86 TRP HD1 85 ARG HA 5.50 (# 2867:20 Unique 2.83, 3.33 A)
&rst
ixpk= 2867, nxpk= 20, iat=1407,1377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2868 85 ARG HA 5.50 (# 2868:20 Single Ambig)
&rst
ixpk= 2868, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1385,1386,1385,1386,
&end
#
# 85 ARG HB+ 85 ARG HA 4.50 (# 2869:20 Unique 2.24, 2.52 A)
&rst
ixpk= 2869, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1379,1380,
&end
#
# 85 ARG HG+ 85 ARG HA 3.50 (# 2870:20 Unique 2.65, 3.65 A)
&rst
ixpk= 2870, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1382,1383,
&end
#
# 85 ARG HB- 85 ARG HA 3.50 (# 2871:20 Unique 2.24, 2.52 A)
&rst
ixpk= 2871, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1379,1380,
&end
#
# 0 AMB 20-2:2872 0 AMB 20-1:2872 5.50 (# 2872:20 Double Ambig)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1382,1383,2299,2300,
igr2=1377, 553,
&end
#
# 84 VAL MGX 85 ARG HA 5.50 (# 2873:20 Unique 3.83, 5.86 A)
&rst
ixpk= 2873, nxpk= 20, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 20-2:2874 0 AMB 20-1:2874 5.50 (# 2874:20 Double Ambig)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1377,1153,
igr2=1379,1380,1182,
&end
#
# 85 ARG HA 85 ARG HB- 5.50 (# 2875:20 Unique 2.24, 2.52 A)
&rst
ixpk= 2875, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1379,1380,
&end
#
# 85 ARG HE 85 ARG HB+ 5.50 (# 2876:20 Unique 2.24, 3.74 A)
&rst
ixpk= 2876, nxpk= 20, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1379,1380,
&end
#
# 85 ARG HE 85 ARG HB- 5.50 (# 2877:20 Unique 2.24, 3.74 A)
&rst
ixpk= 2877, nxpk= 20, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1379,1380,
&end
#
# 0 AMB 20-2:2878 0 AMB 20-1:2878 5.50 (# 2878:20 Double Ambig)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1375,1501,
igr2=1379,1380,1379,1380,
&end
#
# 0 AMB 20-2:2879 85 ARG HB- 5.50 (# 2879:20 Single Ambig)
&rst
ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1375,1501,
igr2=1379,1380,
&end
#
# 86 TRP HN 85 ARG HB+ 5.50 (# 2880:20 Unique 2.93, 3.93 A)
&rst
ixpk= 2880, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1379,1380,
&end
#
# 0 AMB 20-2:2881 0 AMB 20-1:2881 5.50 (# 2881:20 Double Ambig)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1399, 258,
igr2=1379,1380, 286, 287,
&end
#
# 87 ASP HN 85 ARG HG- 5.50 (# 2882:20 Unique 1.89, 3.49 A)
&rst
ixpk= 2882, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 85 ARG HN 85 ARG HG+ 5.50 (# 2883:20 Unique 1.87, 3.09 A)
&rst
ixpk= 2883, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 85 ARG HN 85 ARG HG- 5.50 (# 2884:20 Unique 1.87, 3.09 A)
&rst
ixpk= 2884, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 86 TRP HN 85 ARG HG+ 5.50 (# 2885:20 Unique 1.94, 3.65 A)
&rst
ixpk= 2885, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 86 TRP HN 85 ARG HG- 5.50 (# 2886:20 Unique 1.94, 3.65 A)
&rst
ixpk= 2886, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 85 ARG HE 85 ARG HG+ 5.50 (# 2887:20 Unique 2.12, 3.31 A)
&rst
ixpk= 2887, nxpk= 20, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 85 ARG HE 85 ARG HG- 5.50 (# 2888:20 Unique 2.12, 3.31 A)
&rst
ixpk= 2888, nxpk= 20, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 85 ARG HA 85 ARG HG+ 5.50 (# 2891:20 Unique 2.65, 3.65 A)
&rst
ixpk= 2891, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 85 ARG HA 85 ARG HG- 5.50 (# 2892:20 Unique 2.65, 3.65 A)
&rst
ixpk= 2892, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 84 VAL HA 85 ARG HG+ 5.50 (# 2893:20 Unique 3.11, 4.91 A)
&rst
ixpk= 2893, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 84 VAL HA 85 ARG HG- 5.50 (# 2894:20 Unique 3.11, 4.91 A)
&rst
ixpk= 2894, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 0 AMB 20-2:2895 0 AMB 20-1:2895 4.50 (# 2895:20 Double Ambig)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1385,1386,1385,1386,
igr2=1382,1383,1382,1383,
&end
#
# 0 AMB 20-2:2896 85 ARG HG- 3.50 (# 2896:20 Single Ambig)
&rst
ixpk= 2896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1385,1386,1385,1386,
igr2=1382,1383,
&end
#
# 85 ARG HB+ 85 ARG HG+ 3.50 (# 2897:20 Unique 2.21, 2.65 A)
&rst
ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1379,1380,
igr2=1382,1383,
&end
#
# 85 ARG HB+ 85 ARG HG- 4.50 (# 2898:20 Unique 2.21, 2.65 A)
&rst
ixpk= 2898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1379,1380,
igr2=1382,1383,
&end
#
# 88 THR MG2 85 ARG HG+ 5.50 (# 2899:20 Unique 1.98, 4.46 A)
&rst
ixpk= 2899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1441,1442,1443,
igr2=1382,1383,
&end
#
# 88 THR MG2 85 ARG HG- 5.50 (# 2900:20 Unique 1.98, 4.46 A)
&rst
ixpk= 2900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1441,1442,1443,
igr2=1382,1383,
&end
#
# 0 AMB 20-2:2901 0 AMB 20-1:2901 5.50 (# 2901:20 Double Ambig)
&rst
ixpk= 2901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,
igr2=1382,1383,1382,1383,
&end
#
# 84 VAL MGX 0 AMB 20-1:2902 5.50 (# 2902:20 Single Ambig)
&rst
ixpk= 2902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1385,1386,1385,1386,
&end
#
# 88 THR MG2 0 AMB 20-1:2903 5.50 (# 2903:20 Single Ambig)
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1441,1442,1443,
igr2=1385,1386,1385,1386,
&end
#
# 0 AMB 20-2:2904 0 AMB 20-1:2904 4.50 (# 2904:20 Double Ambig)
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1379,1380,1379,1380,
igr2=1385,1386,1385,1386,
&end
#
# 85 ARG HG- 0 AMB 20-1:2905 3.50 (# 2905:20 Single Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1382,1383,
igr2=1385,1386,1385,1386,
&end
#
# 0 AMB 20-2:2906 0 AMB 20-1:2906 2.80 (# 2906:20 Double Ambig)
&rst
ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1382,1383,1382,1383,
igr2=1385,1386,1385,1386,
&end
#
# 85 ARG HA 0 AMB 20-1:2907 4.50 (# 2907:20 Single Ambig)
&rst
ixpk= 2907, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1385,1386,1385,1386,
&end
#
# 85 ARG HE 0 AMB 20-1:2908 3.50 (# 2908:20 Single Ambig)
&rst
ixpk= 2908, nxpk= 20, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1385,1386,1385,1386,
&end
#
# 86 TRP HN 0 AMB 20-1:2909 5.50 (# 2909:20 Single Ambig)
&rst
ixpk= 2909, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1385,1386,1385,1386,
&end
#
# 85 ARG HN 0 AMB 20-1:2910 5.50 (# 2910:20 Single Ambig)
&rst
ixpk= 2910, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1385,1386,1385,1386,
&end
#
# 87 ASP HN 0 AMB 20-1:2911 5.50 (# 2911:20 Single Ambig)
&rst
ixpk= 2911, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1385,1386,1385,1386,
&end
#
# 87 ASP HN 86 TRP HA 5.50 (# 2912:20 Unique 2.59, 2.82 A)
&rst
ixpk= 2912, nxpk= 20, iat=1423,1401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2913 86 TRP HA 5.50 (# 2913:20 Single Ambig)
&rst
ixpk= 2913, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1501,1375,
&end
#
# 86 TRP HN 86 TRP HA 4.50 (# 2914:20 Unique 2.27, 2.37 A)
&rst
ixpk= 2914, nxpk= 20, iat=1399,1401, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 TRP HE3 86 TRP HA 4.50 (# 2915:20 Unique 2.59, 3.38 A)
&rst
ixpk= 2915, nxpk= 20, iat=1418,1401, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 TRP HD1 86 TRP HA 5.50 (# 2916:20 Unique 3.80, 4.09 A)
&rst
ixpk= 2916, nxpk= 20, iat=1407,1401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 THR HN 86 TRP HA 5.50 (# 2917:20 Unique 3.48, 3.67 A)
&rst
ixpk= 2917, nxpk= 20, iat=1435,1401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 TRP HB+ 86 TRP HA 4.50 (# 2918:20 Unique 2.38, 2.73 A)
&rst
ixpk= 2918, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1403,1404,
&end
#
# 86 TRP HB- 86 TRP HA 4.50 (# 2919:20 Unique 2.38, 2.73 A)
&rst
ixpk= 2919, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1403,1404,
&end
#
# 91 VAL MGY 86 TRP HA 4.50 (# 2921:20 Unique 1.95, 3.83 A)
&rst
ixpk= 2921, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 91 VAL MGX 86 TRP HA 4.50 (# 2922:20 Unique 1.95, 3.83 A)
&rst
ixpk= 2922, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 84 VAL MGX 86 TRP HA 5.50 (# 2923:20 Unique 2.79, 5.40 A)
&rst
ixpk= 2923, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 84 VAL MGX 86 TRP HB+ 5.50 (# 2924:20 Unique 3.94, 6.62 A)
&rst
ixpk= 2924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1403,1404,
&end
#
# 91 VAL MGX 86 TRP HB+ 5.50 (# 2926:20 Unique 2.06, 5.42 A)
&rst
ixpk= 2926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1491,1492,1493,1495,1496,1497,
igr2=1403,1404,
&end
#
# 91 VAL MGX 86 TRP HB- 5.50 (# 2927:20 Unique 2.06, 5.42 A)
&rst
ixpk= 2927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1491,1492,1493,1495,1496,1497,
igr2=1403,1404,
&end
#
# 91 VAL MGY 86 TRP HB+ 5.50 (# 2928:20 Unique 2.06, 5.42 A)
&rst
ixpk= 2928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1491,1492,1493,1495,1496,1497,
igr2=1403,1404,
&end
#
# 91 VAL MGY 86 TRP HB- 5.50 (# 2929:20 Unique 2.06, 5.42 A)
&rst
ixpk= 2929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1491,1492,1493,1495,1496,1497,
igr2=1403,1404,
&end
#
# 86 TRP HA 86 TRP HB+ 4.50 (# 2930:20 Unique 2.38, 2.73 A)
&rst
ixpk= 2930, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1403,1404,
&end
#
# 86 TRP HA 86 TRP HB- 4.50 (# 2931:20 Unique 2.38, 2.73 A)
&rst
ixpk= 2931, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1403,1404,
&end
#
# 85 ARG HA 86 TRP HB+ 5.50 (# 2932:20 Unique 4.29, 5.15 A)
&rst
ixpk= 2932, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 85 ARG HA 86 TRP HB- 5.50 (# 2933:20 Unique 4.29, 5.15 A)
&rst
ixpk= 2933, nxpk= 20, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 86 TRP HZ3 86 TRP HB+ 5.50 (# 2934:20 Unique 4.84, 5.59 A)
&rst
ixpk= 2934, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 86 TRP HD1 86 TRP HB+ 5.50 (# 2935:20 Unique 2.57, 3.29 A)
&rst
ixpk= 2935, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 86 TRP HD1 86 TRP HB- 5.50 (# 2936:20 Unique 2.57, 3.29 A)
&rst
ixpk= 2936, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 86 TRP HE3 86 TRP HB+ 5.50 (# 2937:20 Unique 2.42, 3.28 A)
&rst
ixpk= 2937, nxpk= 20, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 86 TRP HE3 86 TRP HB- 5.50 (# 2938:20 Unique 2.42, 3.28 A)
&rst
ixpk= 2938, nxpk= 20, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 86 TRP HN 86 TRP HB+ 5.50 (# 2939:20 Unique 2.56, 3.71 A)
&rst
ixpk= 2939, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 86 TRP HN 86 TRP HB- 4.50 (# 2940:20 Unique 2.56, 3.71 A)
&rst
ixpk= 2940, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1403,1404,
&end
#
# 87 ASP HN 86 TRP HB+ 5.50 (# 2941:20 Unique 3.83, 4.32 A)
&rst
ixpk= 2941, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 87 ASP HN 86 TRP HB- 5.50 (# 2942:20 Unique 3.83, 4.32 A)
&rst
ixpk= 2942, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 86 TRP HE1 86 TRP HB+ 5.50 (# 2943:20 Unique 4.76, 5.04 A)
&rst
ixpk= 2943, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 86 TRP HE1 86 TRP HB- 5.50 (# 2944:20 Unique 4.76, 5.04 A)
&rst
ixpk= 2944, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1404,
&end
#
# 88 THR HN 87 ASP HA 5.50 (# 2945:20 Unique 2.70, 3.13 A)
&rst
ixpk= 2945, nxpk= 20, iat=1435,1425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 ASP HB+ 87 ASP HA 2.80 (# 2946:20 Unique 2.36, 2.81 A)
&rst
ixpk= 2946, nxpk= 20, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1427,1428,
&end
#
# 0 AMB 20-2:2947 0 AMB 20-1:2947 3.50 (# 2947:20 Double Ambig)
&rst
ixpk= 2947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 555, 556,1427,1428,
igr2= 553,1425,
&end
#
# 0 AMB 20-2:2948 0 AMB 20-1:2948 5.50 (# 2948:20 Double Ambig)
&rst
ixpk= 2948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1382,1383,1379,1380,
igr2=1427,1428,1427,1428,
&end
#
# 85 ARG HG+ 87 ASP HB- 5.50 (# 2949:20 Unique 2.34, 4.65 A)
&rst
ixpk= 2949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1382,1383,
igr2=1427,1428,
&end
#
# 87 ASP HA 87 ASP HB+ 3.50 (# 2950:20 Unique 2.36, 2.81 A)
&rst
ixpk= 2950, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1427,1428,
&end
#
# 87 ASP HA 87 ASP HB- 3.50 (# 2951:20 Unique 2.36, 2.81 A)
&rst
ixpk= 2951, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1427,1428,
&end
#
# 88 THR HN 87 ASP HB+ 5.50 (# 2952:20 Unique 3.09, 3.99 A)
&rst
ixpk= 2952, nxpk= 20, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1427,1428,
&end
#
# 88 THR HN 87 ASP HB- 5.50 (# 2953:20 Unique 3.09, 3.99 A)
&rst
ixpk= 2953, nxpk= 20, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1427,1428,
&end
#
# 87 ASP HN 87 ASP HB+ 4.50 (# 2954:20 Unique 2.41, 3.11 A)
&rst
ixpk= 2954, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1427,1428,
&end
#
# 87 ASP HN 87 ASP HB- 4.50 (# 2955:20 Unique 2.41, 3.11 A)
&rst
ixpk= 2955, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1427,1428,
&end
#
# 87 ASP HN 88 THR HA 5.50 (# 2956:20 Unique 4.27, 4.41 A)
&rst
ixpk= 2956, nxpk= 20, iat=1423,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 LYS HN 88 THR HA 3.50 (# 2957:20 Unique 3.12, 3.53 A)
&rst
ixpk= 2957, nxpk= 20, iat=1449,1437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 THR HN 88 THR HA 4.50 (# 2958:20 Unique 2.77, 2.90 A)
&rst
ixpk= 2958, nxpk= 20, iat=1435,1437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 THR HB 88 THR HA 3.50 (# 2959:20 Unique 2.37, 2.44 A)
&rst
ixpk= 2959, nxpk= 20, iat=1439,1437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2960 88 THR HA 5.50 (# 2960:20 Single Ambig)
&rst
ixpk= 2960, nxpk= 20, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1453,1454,1459,1460,1459,1460,
&end
#
# 89 LYS HG+ 88 THR HA 5.50 (# 2961:20 Unique 3.08, 4.50 A)
&rst
ixpk= 2961, nxpk= 20, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1456,1457,
&end
#
# 89 LYS HG- 88 THR HA 5.50 (# 2962:20 Unique 3.08, 4.50 A)
&rst
ixpk= 2962, nxpk= 20, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1456,1457,
&end
#
# 88 THR MG2 88 THR HA 3.50 (# 2963:20 Unique 2.32, 3.43 A)
&rst
ixpk= 2963, nxpk= 20, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1441,1442,1443,
&end
#
# 2 ILE QD1 88 THR HB 5.50 (# 2964:20 Unique 1.96, 4.27 A)
&rst
ixpk= 2964, nxpk= 20, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 34, 35, 36,
&end
#
# 88 THR MG2 88 THR HB 3.50 (# 2965:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2965, nxpk= 20, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1441,1442,1443,
&end
#
# 89 LYS HG+ 88 THR HB 5.50 (# 2966:20 Unique 3.58, 5.81 A)
&rst
ixpk= 2966, nxpk= 20, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1456,1457,
&end
#
# 85 ARG HG+ 88 THR HB 5.50 (# 2968:20 Unique 1.99, 5.42 A)
&rst
ixpk= 2968, nxpk= 20, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1382,1383,
&end
#
# 85 ARG HB+ 88 THR HB 5.50 (# 2969:20 Unique 3.19, 6.49 A)
&rst
ixpk= 2969, nxpk= 20, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1379,1380,
&end
#
# 88 THR HA 88 THR HB 3.50 (# 2970:20 Unique 2.37, 2.44 A)
&rst
ixpk= 2970, nxpk= 20, iat=1437,1439, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 THR HN 88 THR HB 4.50 (# 2973:20 Unique 2.30, 3.38 A)
&rst
ixpk= 2973, nxpk= 20, iat=1435,1439, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 LYS HN 88 THR HB 3.50 (# 2974:20 Unique 1.83, 3.54 A)
&rst
ixpk= 2974, nxpk= 20, iat=1449,1439, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2975 88 THR HB 5.50 (# 2975:20 Single Ambig)
&rst
ixpk= 2975, nxpk= 20, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1501,1375,1485,
&end
#
# 87 ASP HN 88 THR HB 5.50 (# 2976:20 Unique 3.43, 4.70 A)
&rst
ixpk= 2976, nxpk= 20, iat=1423,1439, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 ASP HN 88 THR MG2 5.50 (# 2977:20 Unique 2.78, 4.05 A)
&rst
ixpk= 2977, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1441,1442,1443,
&end
#
# 89 LYS HN 88 THR MG2 4.50 (# 2978:20 Unique 1.92, 3.77 A)
&rst
ixpk= 2978, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1441,1442,1443,
&end
#
# 92 CYS HN 88 THR MG2 5.50 (# 2979:20 Unique 2.31, 4.43 A)
&rst
ixpk= 2979, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1441,1442,1443,
&end
#
# 88 THR HN 88 THR MG2 4.50 (# 2980:20 Unique 1.85, 3.16 A)
&rst
ixpk= 2980, nxpk= 20, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1441,1442,1443,
&end
#
# 85 ARG HE 88 THR MG2 5.50 (# 2981:20 Unique 1.94, 4.54 A)
&rst
ixpk= 2981, nxpk= 20, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1441,1442,1443,
&end
#
# 0 AMB 20-2:2983 88 THR MG2 5.50 (# 2983:20 Single Ambig)
&rst
ixpk= 2983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1425,1377,
igr2=1441,1442,1443,
&end
#
# 88 THR HA 88 THR MG2 3.50 (# 2984:20 Unique 2.32, 3.43 A)
&rst
ixpk= 2984, nxpk= 20, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1441,1442,1443,
&end
#
# 88 THR HB 88 THR MG2 3.50 (# 2985:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2985, nxpk= 20, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1441,1442,1443,
&end
#
# 0 AMB 20-2:2986 88 THR MG2 5.50 (# 2986:20 Single Ambig)
&rst
ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1385,1386,1385,1386,
igr2=1441,1442,1443,
&end
#
# 85 ARG HB+ 88 THR MG2 5.50 (# 2987:20 Unique 2.27, 5.57 A)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1379,1380,
igr2=1441,1442,1443,
&end
#
# 0 AMB 20-2:2988 88 THR MG2 5.50 (# 2988:20 Single Ambig)
&rst
ixpk= 2988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1382,1383,1379,1380,
igr2=1441,1442,1443,
&end
#
# 91 VAL MGY 89 LYS HA 5.50 (# 2989:20 Unique 3.15, 5.63 A)
&rst
ixpk= 2989, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 89 LYS HG+ 89 LYS HA 5.50 (# 2990:20 Unique 2.53, 3.26 A)
&rst
ixpk= 2990, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1456,1457,
&end
#
# 89 LYS HG- 89 LYS HA 5.50 (# 2991:20 Unique 2.53, 3.26 A)
&rst
ixpk= 2991, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1456,1457,
&end
#
# 0 AMB 20-2:2992 89 LYS HA 4.50 (# 2992:20 Single Ambig)
&rst
ixpk= 2992, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1459,1460,1459,1460,1453,1454,
&end
#
# 89 LYS HB+ 89 LYS HA 3.50 (# 2993:20 Unique 2.23, 2.68 A)
&rst
ixpk= 2993, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1453,1454,
&end
#
# 90 PRO HB+ 89 LYS HA 5.50 (# 2994:20 Unique 4.10, 4.21 A)
&rst
ixpk= 2994, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1478,1479,
&end
#
# 0 AMB 20-2:2995 89 LYS HA 5.50 (# 2995:20 Single Ambig)
&rst
ixpk= 2995, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1462,1463,1462,1463,
&end
#
# 0 AMB 20-2:2996 89 LYS HA 5.50 (# 2996:20 Single Ambig)
&rst
ixpk= 2996, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1472,1473,1472,1473,
&end
#
# 91 VAL HA 89 LYS HA 5.50 (# 2997:20 Unique 3.16, 3.77 A)
&rst
ixpk= 2997, nxpk= 20, iat=1487,1451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 PRO HA 89 LYS HA 4.50 (# 2999:20 Unique 1.88, 1.91 A)
&rst
ixpk= 2999, nxpk= 20, iat=1481,1451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 LYS HN 89 LYS HA 5.50 (# 3000:20 Unique 2.27, 2.30 A)
&rst
ixpk= 3000, nxpk= 20, iat=1449,1451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL HN 89 LYS HA 4.50 (# 3001:20 Unique 2.21, 2.78 A)
&rst
ixpk= 3001, nxpk= 20, iat=1485,1451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 LYS HN 89 LYS HB+ 4.50 (# 3005:20 Unique 3.12, 3.85 A)
&rst
ixpk= 3005, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1453,1454,
&end
#
# 89 LYS HN 89 LYS HB- 4.50 (# 3006:20 Unique 3.12, 3.85 A)
&rst
ixpk= 3006, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1453,1454,
&end
#
# 103 GLN HN 66 ARG HB+ 5.50 (# 3007:20 Unique 2.63, 3.84 A)
&rst
ixpk= 3007, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 103 GLN HN 66 ARG HB- 5.50 (# 3008:20 Unique 2.63, 3.84 A)
&rst
ixpk= 3008, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 90 PRO HA 89 LYS HB- 5.50 (# 3009:20 Unique 2.06, 3.87 A)
&rst
ixpk= 3009, nxpk= 20, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1453,1454,
&end
#
# 0 AMB 20-2:3010 0 AMB 20-1:3010 5.50 (# 3010:20 Double Ambig)
&rst
ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1481,1241,
igr2=1453,1454,1243,1244,
&end
#
# 89 LYS HA 89 LYS HB+ 4.50 (# 3011:20 Unique 2.23, 2.68 A)
&rst
ixpk= 3011, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1453,1454,
&end
#
# 89 LYS HA 89 LYS HB- 4.50 (# 3012:20 Unique 2.23, 2.68 A)
&rst
ixpk= 3012, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1453,1454,
&end
#
# 0 AMB 20-2:3013 0 AMB 20-1:3013 5.50 (# 3013:20 Double Ambig)
&rst
ixpk= 3013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1437,1401,
igr2=1453,1454,1453,1454,
&end
#
# 0 AMB 20-2:3014 89 LYS HB- 5.50 (# 3014:20 Single Ambig)
&rst
ixpk= 3014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1437,1401,
igr2=1453,1454,
&end
#
# 0 AMB 20-2:3015 0 AMB 20-1:3015 5.50 (# 3015:20 Double Ambig)
&rst
ixpk= 3015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1472,1473,1472,1473,
igr2=1453,1454,1453,1454,
&end
#
# 0 AMB 20-2:3016 89 LYS HB- 5.50 (# 3016:20 Single Ambig)
&rst
ixpk= 3016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1472,1473,1472,1473,
igr2=1453,1454,
&end
#
# 89 LYS HG- 89 LYS HB+ 4.50 (# 3017:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1456,1457,
igr2=1453,1454,
&end
#
# 89 LYS HG- 89 LYS HB- 4.50 (# 3018:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1456,1457,
igr2=1453,1454,
&end
#
# 89 LYS HG+ 89 LYS HB- 3.50 (# 3019:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1456,1457,
igr2=1453,1454,
&end
#
# 89 LYS HG+ 89 LYS HB+ 3.50 (# 3020:20 Unique 2.22, 2.68 A)
&rst
ixpk= 3020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1456,1457,
igr2=1453,1454,
&end
#
# 0 AMB 20-2:3021 89 LYS HG- 5.50 (# 3021:20 Single Ambig)
&rst
ixpk= 3021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1462,1463,1462,1463,
igr2=1456,1457,
&end
#
# 0 AMB 20-2:3022 0 AMB 20-1:3022 5.50 (# 3022:20 Double Ambig)
&rst
ixpk= 3022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
igr1=1462,1463,1462,1463,2709,2710,2709,2710,2709,2710,
igr2=1456,1457,1456,1457,2703,2704,2703,2704,2703,2704,
&end
#
# 88 THR HA 89 LYS HG+ 5.50 (# 3023:20 Unique 3.08, 4.50 A)
&rst
ixpk= 3023, nxpk= 20, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1456,1457,
&end
#
# 88 THR HA 89 LYS HG- 5.50 (# 3024:20 Unique 3.08, 4.50 A)
&rst
ixpk= 3024, nxpk= 20, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1456,1457,
&end
#
# 89 LYS HA 89 LYS HG+ 5.50 (# 3025:20 Unique 2.53, 3.26 A)
&rst
ixpk= 3025, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1456,1457,
&end
#
# 89 LYS HA 89 LYS HG- 5.50 (# 3026:20 Unique 2.53, 3.26 A)
&rst
ixpk= 3026, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1456,1457,
&end
#
# 89 LYS HN 89 LYS HG+ 5.50 (# 3029:20 Unique 2.65, 3.32 A)
&rst
ixpk= 3029, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1456,1457,
&end
#
# 89 LYS HN 89 LYS HG- 5.50 (# 3030:20 Unique 2.65, 3.32 A)
&rst
ixpk= 3030, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1456,1457,
&end
#
# 91 VAL HN 89 LYS HG+ 5.50 (# 3031:20 Unique 3.94, 5.50 A)
&rst
ixpk= 3031, nxpk= 20, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1456,1457,
&end
#
# 91 VAL HN 89 LYS HG- 5.50 (# 3032:20 Unique 3.94, 5.50 A)
&rst
ixpk= 3032, nxpk= 20, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1456,1457,
&end
#
# 91 VAL HN 0 AMB 20-1:3033 5.50 (# 3033:20 Single Ambig)
&rst
ixpk= 3033, nxpk= 20, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1459,1460,1459,1460,
&end
#
# 89 LYS HN 0 AMB 20-1:3034 5.50 (# 3034:20 Single Ambig)
&rst
ixpk= 3034, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1459,1460,1459,1460,
&end
#
# 0 AMB 20-2:3035 0 AMB 20-1:3035 5.50 (# 3035:20 Double Ambig)
&rst
ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1481, 914,
igr2=1459,1460,1459,1460, 976, 977,
&end
#
# 89 LYS HA 0 AMB 20-1:3036 5.50 (# 3036:20 Single Ambig)
&rst
ixpk= 3036, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1459,1460,1459,1460,
&end
#
# 0 AMB 20-2:3037 0 AMB 20-1:3037 3.50 (# 3037:20 Double Ambig)
&rst
ixpk= 3037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1462,1463,1462,1463,1462,1463,2709,2710,2709,2710,
2709,2710, 979, 980, 979, 980,
igr2=1459,1460,1459,1460,1459,1460,2706,2707,2706,2707,
2706,2707, 976, 977, 976, 977,
&end
#
# 91 VAL HN 90 PRO HA 4.50 (# 3039:20 Unique 2.15, 2.32 A)
&rst
ixpk= 3039, nxpk= 20, iat=1485,1481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 LYS HA 90 PRO HA 5.50 (# 3040:20 Unique 1.88, 1.91 A)
&rst
ixpk= 3040, nxpk= 20, iat=1451,1481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL HA 90 PRO HA 5.50 (# 3041:20 Unique 4.31, 4.35 A)
&rst
ixpk= 3041, nxpk= 20, iat=1487,1481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3042 90 PRO HA 5.50 (# 3042:20 Single Ambig)
&rst
ixpk= 3042, nxpk= 20, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1472,1473,1472,1473,
&end
#
# 90 PRO HB+ 90 PRO HA 5.50 (# 3043:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3043, nxpk= 20, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1478,1479,
&end
#
# 90 PRO HB- 90 PRO HA 5.50 (# 3044:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3044, nxpk= 20, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1478,1479,
&end
#
# 89 LYS HB+ 90 PRO HA 5.50 (# 3045:20 Unique 2.06, 3.87 A)
&rst
ixpk= 3045, nxpk= 20, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1453,1454,
&end
#
# 89 LYS HB- 90 PRO HA 5.50 (# 3046:20 Unique 2.06, 3.87 A)
&rst
ixpk= 3046, nxpk= 20, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1453,1454,
&end
#
# 91 VAL MGY 90 PRO HA 5.50 (# 3047:20 Unique 3.77, 5.61 A)
&rst
ixpk= 3047, nxpk= 20, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 2 ILE QG2 90 PRO HB- 5.50 (# 3048:20 Unique 3.15, 5.06 A)
&rst
ixpk= 3048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 27, 28, 29,
igr2=1478,1479,
&end
#
# 0 AMB 20-2:3049 0 AMB 20-1:3049 5.50 (# 3049:20 Double Ambig)
&rst
ixpk= 3049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.08, r4=12.58,
igr1=2565,2566,2567,2569,2570,2571,2612,2613,2614,2616,
2617,2618,1522,1523,
igr2=2629,2630,2629,2630,2629,2630,1478,1479,
&end
#
# 0 AMB 20-2:3050 90 PRO HB- 5.50 (# 3050:20 Single Ambig)
&rst
ixpk= 3050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1472,1473,1472,1473,
igr2=1478,1479,
&end
#
# 0 AMB 20-2:3051 0 AMB 20-1:3051 5.50 (# 3051:20 Double Ambig)
&rst
ixpk= 3051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1472,1473,1472,1473,
igr2=1478,1479,1478,1479,
&end
#
# 89 LYS HA 90 PRO HB- 5.50 (# 3052:20 Unique 4.10, 4.21 A)
&rst
ixpk= 3052, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1478,1479,
&end
#
# 89 LYS HA 90 PRO HB+ 5.50 (# 3053:20 Unique 4.10, 4.21 A)
&rst
ixpk= 3053, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1478,1479,
&end
#
# 90 PRO HA 90 PRO HB+ 3.50 (# 3054:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3054, nxpk= 20, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1478,1479,
&end
#
# 90 PRO HA 90 PRO HB- 4.50 (# 3055:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3055, nxpk= 20, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1478,1479,
&end
#
# 0 AMB 20-2:3056 0 AMB 20-1:3056 4.50 (# 3056:20 Double Ambig)
&rst
ixpk= 3056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1501,1485,
igr2=1478,1479,1478,1479,
&end
#
# 0 AMB 20-2:3057 90 PRO HB- 5.50 (# 3057:20 Single Ambig)
&rst
ixpk= 3057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1501,1485,
igr2=1478,1479,
&end
#
# 0 AMB 20-2:3058 0 AMB 20-1:3058 5.50 (# 3058:20 Double Ambig)
&rst
ixpk= 3058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1485,1501,
igr2=1475,1476,1475,1476,
&end
#
# 0 AMB 20-2:3059 90 PRO HG- 5.50 (# 3059:20 Single Ambig)
&rst
ixpk= 3059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1485,1501,
igr2=1475,1476,
&end
#
# 0 AMB 20-2:3060 0 AMB 20-1:3060 5.50 (# 3060:20 Double Ambig)
&rst
ixpk= 3060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 42,1481,
igr2=1475,1476,1475,1476,
&end
#
# 0 AMB 20-2:3061 90 PRO HG- 5.50 (# 3061:20 Single Ambig)
&rst
ixpk= 3061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 42,1481,
igr2=1475,1476,
&end
#
# 0 AMB 20-2:3062 0 AMB 20-1:3062 3.50 (# 3062:20 Double Ambig)
&rst
ixpk= 3062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1472,1473,1472,1473,
igr2=1475,1476,1475,1476,
&end
#
# 0 AMB 20-2:3063 90 PRO HG- 3.50 (# 3063:20 Single Ambig)
&rst
ixpk= 3063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1472,1473,1472,1473,
igr2=1475,1476,
&end
#
# 90 PRO HB+ 90 PRO HG+ 4.50 (# 3064:20 Unique 2.32, 2.58 A)
&rst
ixpk= 3064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1478,1479,
igr2=1475,1476,
&end
#
# 90 PRO HB+ 90 PRO HG- 5.50 (# 3065:20 Unique 2.32, 2.58 A)
&rst
ixpk= 3065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1478,1479,
igr2=1475,1476,
&end
#
# 2 ILE QG2 90 PRO HG+ 5.50 (# 3066:20 Unique 1.97, 3.45 A)
&rst
ixpk= 3066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 27, 28, 29,
igr2=1475,1476,
&end
#
# 2 ILE QG2 0 AMB 20-1:3068 5.50 (# 3068:20 Single Ambig)
&rst
ixpk= 3068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 27, 28, 29,
igr2=1472,1473,1472,1473,
&end
#
# 0 AMB 20-2:3069 0 AMB 20-1:3069 5.50 (# 3069:20 Double Ambig)
&rst
ixpk= 3069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1456,1457,1456,1457,
igr2=1472,1473,1472,1473,
&end
#
# 90 PRO HG- 0 AMB 20-1:3070 2.80 (# 3070:20 Single Ambig)
&rst
ixpk= 3070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1475,1476,
igr2=1472,1473,1472,1473,
&end
#
# 0 AMB 20-2:3071 0 AMB 20-1:3071 2.80 (# 3071:20 Double Ambig)
&rst
ixpk= 3071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1475,1476,1475,1476,1478,1479,
igr2=1472,1473,1472,1473,
&end
#
# 0 AMB 20-2:3072 0 AMB 20-1:3072 5.50 (# 3072:20 Double Ambig)
&rst
ixpk= 3072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1478,1479,1478,1479,
igr2=1472,1473,1472,1473,
&end
#
# 0 AMB 20-2:3073 0 AMB 20-1:3073 5.50 (# 3073:20 Double Ambig)
&rst
ixpk= 3073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 42,1481,
igr2=1472,1473,1472,1473,
&end
#
# 0 AMB 20-2:3074 0 AMB 20-1:3074 5.50 (# 3074:20 Double Ambig)
&rst
ixpk= 3074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1451, 85,
igr2=1472,1473,1472,1473,
&end
#
# 0 AMB 20-2:3075 0 AMB 20-1:3075 5.50 (# 3075:20 Double Ambig)
&rst
ixpk= 3075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1449, 64,
igr2=1472,1473,1472,1473,
&end
#
# 0 AMB 20-2:3076 0 AMB 20-1:3076 5.50 (# 3076:20 Double Ambig)
&rst
ixpk= 3076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1485,1501,
igr2=1472,1473,1472,1473,1472,1473,
&end
#
# 84 VAL MGX 91 VAL HA 5.50 (# 3077:20 Unique 3.94, 6.10 A)
&rst
ixpk= 3077, nxpk= 20, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 91 VAL MGX 91 VAL HA 4.50 (# 3078:20 Unique 1.99, 3.39 A)
&rst
ixpk= 3078, nxpk= 20, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 91 VAL MGY 91 VAL HA 4.50 (# 3080:20 Unique 1.99, 3.39 A)
&rst
ixpk= 3080, nxpk= 20, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 91 VAL HB 91 VAL HA 5.50 (# 3081:20 Unique 2.37, 2.59 A)
&rst
ixpk= 3081, nxpk= 20, iat=1489,1487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3082 91 VAL HA 5.50 (# 3082:20 Single Ambig)
&rst
ixpk= 3082, nxpk= 20, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1478,1479,1475,1476,
&end
#
# 92 CYS HB+ 91 VAL HA 5.50 (# 3083:20 Unique 3.92, 4.96 A)
&rst
ixpk= 3083, nxpk= 20, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1505,1506,
&end
#
# 92 CYS HB- 91 VAL HA 5.50 (# 3084:20 Unique 3.92, 4.96 A)
&rst
ixpk= 3084, nxpk= 20, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1505,1506,
&end
#
# 86 TRP HA 91 VAL HA 5.50 (# 3085:20 Unique 2.62, 3.10 A)
&rst
ixpk= 3085, nxpk= 20, iat=1401,1487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 LYS HA 91 VAL HA 5.50 (# 3086:20 Unique 3.16, 3.77 A)
&rst
ixpk= 3086, nxpk= 20, iat=1451,1487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3088 91 VAL HA 2.80 (# 3088:20 Single Ambig)
&rst
ixpk= 3088, nxpk= 20, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1501,1485,
&end
#
# 92 CYS HN 91 VAL HB 4.50 (# 3089:20 Unique 1.75, 3.63 A)
&rst
ixpk= 3089, nxpk= 20, iat=1501,1489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 TRP HA 91 VAL HB 5.50 (# 3092:20 Unique 1.86, 3.27 A)
&rst
ixpk= 3092, nxpk= 20, iat=1401,1489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL HA 91 VAL HB 5.50 (# 3093:20 Unique 2.37, 2.59 A)
&rst
ixpk= 3093, nxpk= 20, iat=1487,1489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL MGY 91 VAL HB 3.50 (# 3094:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3094, nxpk= 20, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 91 VAL MGX 91 VAL HB 3.50 (# 3095:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3095, nxpk= 20, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 84 VAL MGX 91 VAL HB 5.50 (# 3096:20 Unique 3.30, 5.94 A)
&rst
ixpk= 3096, nxpk= 20, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 84 VAL MGX 91 VAL MGX 3.50 (# 3097:20 Unique 1.99, 5.94 A)
&rst
ixpk= 3097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 93 ILE QG2 91 VAL MGX 2.80 (# 3098:20 Unique 1.99, 4.88 A)
&rst
ixpk= 3098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1518,1519,1520,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 84 VAL MGY 91 VAL MGX 4.50 (# 3099:20 Unique 1.99, 5.94 A)
&rst
ixpk= 3099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 120 GLU HB- 25 ALA MB 5.50 (# 3101:20 Unique 3.72, 7.47 A)
&rst
ixpk= 3101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1940,1941,
igr2= 384, 385, 386,
&end
#
# 0 AMB 20-2:3103 25 ALA MB 5.50 (# 3103:20 Single Ambig)
&rst
ixpk= 3103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 421, 422, 514, 515,2021,2022,
igr2= 384, 385, 386,
&end
#
# 0 AMB 20-2:3105 91 VAL MGX 5.50 (# 3105:20 Single Ambig)
&rst
ixpk= 3105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1363,1301,1302,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 91 VAL HB 91 VAL MGX 2.80 (# 3106:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3106, nxpk= 20, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 92 CYS HB- 91 VAL MGX 5.50 (# 3107:20 Unique 2.85, 6.45 A)
&rst
ixpk= 3107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1505,1506,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 86 TRP HB+ 91 VAL MGX 5.50 (# 3108:20 Unique 2.06, 5.42 A)
&rst
ixpk= 3108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1403,1404,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 91 VAL HA 91 VAL MGX 4.50 (# 3109:20 Unique 1.99, 3.39 A)
&rst
ixpk= 3109, nxpk= 20, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 86 TRP HA 91 VAL MGX 4.50 (# 3110:20 Unique 1.95, 3.83 A)
&rst
ixpk= 3110, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 0 AMB 20-2:3111 91 VAL MGX 5.50 (# 3111:20 Single Ambig)
&rst
ixpk= 3111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1451,1377,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 86 TRP HZ3 91 VAL MGX 4.50 (# 3112:20 Unique 1.98, 4.15 A)
&rst
ixpk= 3112, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 86 TRP HE3 91 VAL MGX 5.50 (# 3113:20 Unique 1.99, 3.63 A)
&rst
ixpk= 3113, nxpk= 20, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 0 AMB 20-2:3114 91 VAL MGX 3.50 (# 3114:20 Single Ambig)
&rst
ixpk= 3114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1501,1485,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 0 AMB 20-2:3115 91 VAL MGX 5.50 (# 3115:20 Single Ambig)
&rst
ixpk= 3115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1423,1512,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 0 AMB 20-2:3117 91 VAL MGY 2.80 (# 3117:20 Single Ambig)
&rst
ixpk= 3117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1501,1485,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 86 TRP HE3 91 VAL MGY 4.50 (# 3118:20 Unique 1.99, 3.63 A)
&rst
ixpk= 3118, nxpk= 20, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 86 TRP HA 91 VAL MGY 4.50 (# 3120:20 Unique 1.95, 3.83 A)
&rst
ixpk= 3120, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 0 AMB 20-2:3121 91 VAL MGY 5.50 (# 3121:20 Single Ambig)
&rst
ixpk= 3121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1451,1377,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 90 PRO HA 91 VAL MGY 5.50 (# 3122:20 Unique 3.77, 5.61 A)
&rst
ixpk= 3122, nxpk= 20, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 91 VAL HB 91 VAL MGY 2.80 (# 3123:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3123, nxpk= 20, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1491,1492,1493,1495,1496,1497,
&end
#
# 93 ILE HN 92 CYS HB+ 5.50 (# 3127:20 Unique 3.57, 4.23 A)
&rst
ixpk= 3127, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1505,1506,
&end
#
# 93 ILE HN 92 CYS HB- 5.50 (# 3128:20 Unique 3.57, 4.23 A)
&rst
ixpk= 3128, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1505,1506,
&end
#
# 0 AMB 20-2:3129 92 CYS HB- 5.50 (# 3129:20 Single Ambig)
&rst
ixpk= 3129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1375,1501,
igr2=1505,1506,
&end
#
# 0 AMB 20-2:3130 0 AMB 20-1:3130 4.50 (# 3130:20 Double Ambig)
&rst
ixpk= 3130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1375,1501,
igr2=1505,1506,1505,1506,
&end
#
# 91 VAL HA 92 CYS HB- 5.50 (# 3133:20 Unique 3.92, 4.96 A)
&rst
ixpk= 3133, nxpk= 20, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1505,1506,
&end
#
# 85 ARG HG+ 92 CYS HB- 5.50 (# 3135:20 Unique 1.99, 5.78 A)
&rst
ixpk= 3135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1382,1383,
igr2=1505,1506,
&end
#
# 85 ARG HG+ 92 CYS HB+ 5.50 (# 3136:20 Unique 1.99, 5.78 A)
&rst
ixpk= 3136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1382,1383,
igr2=1505,1506,
&end
#
# 0 AMB 20-2:3137 92 CYS HB- 5.50 (# 3137:20 Single Ambig)
&rst
ixpk= 3137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 34, 35, 36,1270,1271,1272,1274,1275,1276,
igr2=1505,1506,
&end
#
# 0 AMB 20-2:3138 0 AMB 20-1:3138 5.50 (# 3138:20 Double Ambig)
&rst
ixpk= 3138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 34, 35, 36,1270,1271,1272,1274,1275,1276,
igr2=1505,1506,1505,1506,
&end
#
# 91 VAL MGX 92 CYS HB- 5.50 (# 3139:20 Unique 2.85, 6.45 A)
&rst
ixpk= 3139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1491,1492,1493,1495,1496,1497,
igr2=1505,1506,
&end
#
# 91 VAL MGX 93 ILE HA 5.50 (# 3140:20 Unique 3.53, 5.83 A)
&rst
ixpk= 3140, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 92 CYS HA 93 ILE HG1- 5.50 (# 3141:20 Unique 3.96, 4.78 A)
&rst
ixpk= 3141, nxpk= 20, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1522,1523,
&end
#
# 94 GLY HN 93 ILE HG1- 5.50 (# 3142:20 Unique 2.30, 3.80 A)
&rst
ixpk= 3142, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1522,1523,
&end
#
# 94 GLY HN 93 ILE HG1+ 5.50 (# 3143:20 Unique 2.30, 3.80 A)
&rst
ixpk= 3143, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1522,1523,
&end
#
# 93 ILE HN 93 ILE HG1- 5.50 (# 3144:20 Unique 1.90, 2.78 A)
&rst
ixpk= 3144, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1522,1523,
&end
#
# 93 ILE HN 93 ILE QD1 4.50 (# 3145:20 Unique 1.83, 4.14 A)
&rst
ixpk= 3145, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1525,1526,1527,
&end
#
# 0 AMB 20-2:3146 93 ILE QD1 5.50 (# 3146:20 Single Ambig)
&rst
ixpk= 3146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1501,1538,1485,
igr2=1525,1526,1527,
&end
#
# 94 GLY HN 93 ILE QD1 5.50 (# 3147:20 Unique 2.27, 4.92 A)
&rst
ixpk= 3147, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1525,1526,1527,
&end
#
# 7 TYR HE 93 ILE QD1 5.50 (# 3148:20 Unique 1.99, 4.79 A)
&rst
ixpk= 3148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 93, 98,
igr2=1525,1526,1527,
&end
#
# 7 TYR HD 93 ILE QD1 5.50 (# 3149:20 Unique 2.64, 5.72 A)
&rst
ixpk= 3149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 91, 100,
igr2=1525,1526,1527,
&end
#
# 93 ILE HA 93 ILE QD1 5.50 (# 3151:20 Unique 3.76, 4.77 A)
&rst
ixpk= 3151, nxpk= 20, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1525,1526,1527,
&end
#
# 6 GLY HA+ 93 ILE QD1 5.50 (# 3152:20 Unique 1.95, 5.04 A)
&rst
ixpk= 3152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 78, 79,
igr2=1525,1526,1527,
&end
#
# 0 AMB 20-2:3153 93 ILE QD1 5.50 (# 3153:20 Single Ambig)
&rst
ixpk= 3153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1252,1253,1252,1253,1307,1308,
igr2=1525,1526,1527,
&end
#
# 93 ILE HB 93 ILE QD1 2.80 (# 3154:20 Unique 2.09, 3.14 A)
&rst
ixpk= 3154, nxpk= 20, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1525,1526,1527,
&end
#
# 84 VAL MGX 93 ILE QD1 5.50 (# 3155:20 Unique 5.73, 8.59 A)
&rst
ixpk= 3155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1525,1526,1527,
&end
#
# 84 VAL MGX 93 ILE QG2 4.50 (# 3156:20 Unique 3.41, 6.23 A)
&rst
ixpk= 3156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1365,1366,1367,1369,1370,1371,
igr2=1518,1519,1520,
&end
#
# 91 VAL MGX 93 ILE QG2 3.50 (# 3157:20 Unique 1.99, 4.88 A)
&rst
ixpk= 3157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1491,1492,1493,1495,1496,1497,
igr2=1518,1519,1520,
&end
#
# 93 ILE HG1+ 93 ILE QG2 4.50 (# 3158:20 Unique 1.98, 3.34 A)
&rst
ixpk= 3158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1522,1523,
igr2=1518,1519,1520,
&end
#
# 93 ILE HG1- 93 ILE QG2 4.50 (# 3159:20 Unique 1.98, 3.34 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1522,1523,
igr2=1518,1519,1520,
&end
#
# 91 VAL MGY 93 ILE QG2 4.50 (# 3160:20 Unique 1.99, 4.88 A)
&rst
ixpk= 3160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1491,1492,1493,1495,1496,1497,
igr2=1518,1519,1520,
&end
#
# 78 LYS HG- 93 ILE QG2 5.50 (# 3162:20 Unique 4.44, 6.56 A)
&rst
ixpk= 3162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1246,1247,
igr2=1518,1519,1520,
&end
#
# 93 ILE HB 93 ILE QG2 2.80 (# 3163:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3163, nxpk= 20, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1518,1519,1520,
&end
#
# 0 AMB 20-2:3164 93 ILE QG2 5.50 (# 3164:20 Single Ambig)
&rst
ixpk= 3164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1252,1253,1252,1253,1307,1308,
igr2=1518,1519,1520,
&end
#
# 93 ILE HA 93 ILE QG2 3.50 (# 3165:20 Unique 2.19, 3.12 A)
&rst
ixpk= 3165, nxpk= 20, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1518,1519,1520,
&end
#
# 0 AMB 20-2:3169 93 ILE QG2 5.50 (# 3169:20 Single Ambig)
&rst
ixpk= 3169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1531,1418,
igr2=1518,1519,1520,
&end
#
# 0 AMB 20-2:3170 93 ILE QG2 5.50 (# 3170:20 Single Ambig)
&rst
ixpk= 3170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1501,1485,
igr2=1518,1519,1520,
&end
#
# 79 LEU HN 93 ILE QG2 5.50 (# 3171:20 Unique 5.62, 6.84 A)
&rst
ixpk= 3171, nxpk= 20, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1518,1519,1520,
&end
#
# 93 ILE HN 93 ILE QG2 5.50 (# 3172:20 Unique 2.00, 3.30 A)
&rst
ixpk= 3172, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1518,1519,1520,
&end
#
# 95 GLN HN 94 GLY HA+ 4.50 (# 3173:20 Unique 2.19, 2.58 A)
&rst
ixpk= 3173, nxpk= 20, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1533,1534,
&end
#
# 95 GLN HN 94 GLY HA- 4.50 (# 3174:20 Unique 2.19, 2.58 A)
&rst
ixpk= 3174, nxpk= 20, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1533,1534,
&end
#
# 94 GLY HN 94 GLY HA+ 5.50 (# 3175:20 Unique 2.65, 2.80 A)
&rst
ixpk= 3175, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1533,1534,
&end
#
# 94 GLY HN 94 GLY HA- 5.50 (# 3176:20 Unique 2.65, 2.80 A)
&rst
ixpk= 3176, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1533,1534,
&end
#
# 7 TYR HD 94 GLY HA+ 5.50 (# 3177:20 Unique 1.95, 4.73 A)
&rst
ixpk= 3177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 91, 100,
igr2=1533,1534,
&end
#
# 7 TYR HE 94 GLY HA+ 5.50 (# 3178:20 Unique 1.99, 4.72 A)
&rst
ixpk= 3178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 93, 98,
igr2=1533,1534,
&end
#
# 7 TYR HE 94 GLY HA- 5.50 (# 3179:20 Unique 1.99, 4.72 A)
&rst
ixpk= 3179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 93, 98,
igr2=1533,1534,
&end
#
# 7 TYR HD 94 GLY HA- 5.50 (# 3180:20 Unique 1.95, 4.73 A)
&rst
ixpk= 3180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 91, 100,
igr2=1533,1534,
&end
#
# 78 LYS HA 94 GLY HA- 5.50 (# 3181:20 Unique 2.84, 3.35 A)
&rst
ixpk= 3181, nxpk= 20, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1533,1534,
&end
#
# 78 LYS HA 94 GLY HA+ 5.50 (# 3182:20 Unique 2.84, 3.35 A)
&rst
ixpk= 3182, nxpk= 20, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1533,1534,
&end
#
# 79 LEU HG 94 GLY HA+ 5.50 (# 3183:20 Unique 1.94, 3.47 A)
&rst
ixpk= 3183, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1533,1534,
&end
#
# 79 LEU HG 94 GLY HA- 5.50 (# 3184:20 Unique 1.94, 3.47 A)
&rst
ixpk= 3184, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1533,1534,
&end
#
# 79 LEU MDX 94 GLY HA- 5.50 (# 3185:20 Unique 1.89, 4.40 A)
&rst
ixpk= 3185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1533,1534,
&end
#
# 79 LEU MDY 94 GLY HA- 5.50 (# 3186:20 Unique 1.89, 4.40 A)
&rst
ixpk= 3186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1533,1534,
&end
#
# 79 LEU MDY 94 GLY HA+ 5.50 (# 3187:20 Unique 1.89, 4.40 A)
&rst
ixpk= 3187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1533,1534,
&end
#
# 79 LEU MDX 94 GLY HA+ 5.50 (# 3188:20 Unique 1.89, 4.40 A)
&rst
ixpk= 3188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1533,1534,
&end
#
# 0 AMB 20-2:3189 95 GLN HA 5.50 (# 3189:20 Single Ambig)
&rst
ixpk= 3189, nxpk= 20, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=1270,1271,1272,1274,1275,1276, 27, 28, 29,1349,
1350,1351,1353,1354,1355,1349,1350,1351,1353,1354,
1355,
&end
#
# 95 GLN HB- 95 GLN HA 5.50 (# 3190:20 Unique 2.33, 2.75 A)
&rst
ixpk= 3190, nxpk= 20, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1542,1543,
&end
#
# 0 AMB 20-2:3191 95 GLN HA 5.50 (# 3191:20 Single Ambig)
&rst
ixpk= 3191, nxpk= 20, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 111, 112,1542,1543, 108, 109, 108, 109,
&end
#
# 95 GLN HG- 95 GLN HA 5.50 (# 3192:20 Unique 2.11, 3.05 A)
&rst
ixpk= 3192, nxpk= 20, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1545,1546,
&end
#
# 95 GLN HG+ 95 GLN HA 5.50 (# 3193:20 Unique 2.11, 3.05 A)
&rst
ixpk= 3193, nxpk= 20, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1545,1546,
&end
#
# 7 TYR HB+ 95 GLN HA 5.50 (# 3194:20 Unique 2.97, 4.24 A)
&rst
ixpk= 3194, nxpk= 20, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 87, 88,
&end
#
# 0 AMB 20-2:3195 95 GLN HA 5.50 (# 3195:20 Single Ambig)
&rst
ixpk= 3195, nxpk= 20, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1550,1551, 151, 152,
&end
#
# 0 AMB 20-2:3197 95 GLN HA 5.50 (# 3197:20 Single Ambig)
&rst
ixpk= 3197, nxpk= 20, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1550,1551, 151, 152,
&end
#
# 95 GLN HN 95 GLN HA 5.50 (# 3198:20 Unique 2.89, 2.91 A)
&rst
ixpk= 3198, nxpk= 20, iat=1538,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS HN 95 GLN HA 5.50 (# 3199:20 Unique 2.14, 2.16 A)
&rst
ixpk= 3199, nxpk= 20, iat=1555,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ARG HN 95 GLN HA 5.50 (# 3200:20 Unique 1.82, 2.13 A)
&rst
ixpk= 3200, nxpk= 20, iat= 104,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 GLN HA 95 GLN HB- 5.50 (# 3201:20 Unique 2.33, 2.75 A)
&rst
ixpk= 3201, nxpk= 20, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1542,1543,
&end
#
# 95 GLN HG+ 95 GLN HB- 5.50 (# 3202:20 Unique 2.21, 2.67 A)
&rst
ixpk= 3202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,
igr2=1542,1543,
&end
#
# 0 AMB 20-2:3203 0 AMB 20-1:3203 5.50 (# 3203:20 Double Ambig)
&rst
ixpk= 3203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1545,1546,2213,2214,1204,1205,
igr2=1542,1543,2216,2217,
&end
#
# 95 GLN HB- 95 GLN HG+ 5.50 (# 3204:20 Unique 2.21, 2.67 A)
&rst
ixpk= 3204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1542,1543,
igr2=1545,1546,
&end
#
# 95 GLN HA 95 GLN HG+ 5.50 (# 3205:20 Unique 2.11, 3.05 A)
&rst
ixpk= 3205, nxpk= 20, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1545,1546,
&end
#
# 95 GLN HA 95 GLN HG- 5.50 (# 3206:20 Unique 2.11, 3.05 A)
&rst
ixpk= 3206, nxpk= 20, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1545,1546,
&end
#
# 0 AMB 20-2:3207 0 AMB 20-1:3207 5.50 (# 3207:20 Double Ambig)
&rst
ixpk= 3207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 151, 152,1550,1551,
igr2=1545,1546,1545,1546,
&end
#
# 0 AMB 20-2:3208 0 AMB 20-1:3208 5.50 (# 3208:20 Double Ambig)
&rst
ixpk= 3208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 151, 152,1550,1551,
igr2=1545,1546,1545,1546,
&end
#
# 0 AMB 20-2:3209 0 AMB 20-1:3209 5.50 (# 3209:20 Double Ambig)
&rst
ixpk= 3209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 151, 152, 151, 152,1550,1551,
igr2=1581,1582,1545,1546,
&end
#
# 97 GLN HN 96 LYS HA 5.50 (# 3210:20 Unique 2.14, 2.15 A)
&rst
ixpk= 3210, nxpk= 20, iat=1577,1557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 TYR HN 96 LYS HA 5.50 (# 3211:20 Unique 4.83, 5.19 A)
&rst
ixpk= 3211, nxpk= 20, iat=1218,1557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS HN 96 LYS HA 5.50 (# 3212:20 Unique 2.88, 2.93 A)
&rst
ixpk= 3212, nxpk= 20, iat=1555,1557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3213 96 LYS HA 5.50 (# 3213:20 Single Ambig)
&rst
ixpk= 3213, nxpk= 20, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1538,1151,
&end
#
# 76 ARG HA 96 LYS HA 5.50 (# 3214:20 Unique 3.06, 3.43 A)
&rst
ixpk= 3214, nxpk= 20, iat=1196,1557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HG- 96 LYS HA 5.50 (# 3215:20 Unique 1.96, 4.44 A)
&rst
ixpk= 3215, nxpk= 20, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1201,1202,
&end
#
# 96 LYS HB- 96 LYS HA 5.50 (# 3216:20 Unique 2.29, 2.71 A)
&rst
ixpk= 3216, nxpk= 20, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1559,1560,
&end
#
# 0 AMB 20-2:3217 96 LYS HA 5.50 (# 3217:20 Single Ambig)
&rst
ixpk= 3217, nxpk= 20, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1559,1560,1198,1199,
&end
#
# 0 AMB 20-2:3218 96 LYS HA 5.50 (# 3218:20 Single Ambig)
&rst
ixpk= 3218, nxpk= 20, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 87, 88,1568,1569,
&end
#
# 76 ARG HD- 96 LYS HA 5.50 (# 3219:20 Unique 2.47, 5.70 A)
&rst
ixpk= 3219, nxpk= 20, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 96 LYS HD- 96 LYS HB+ 5.50 (# 3221:20 Unique 1.97, 3.08 A)
&rst
ixpk= 3221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1565,1566,
igr2=1559,1560,
&end
#
# 96 LYS HD- 96 LYS HB- 5.50 (# 3222:20 Unique 1.97, 3.08 A)
&rst
ixpk= 3222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1565,1566,
igr2=1559,1560,
&end
#
# 0 AMB 20-2:3223 0 AMB 20-1:3223 5.50 (# 3223:20 Double Ambig)
&rst
ixpk= 3223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1565,1566,1201,1202,
igr2=1559,1560,1559,1560,
&end
#
# 76 ARG HG- 96 LYS HB- 5.50 (# 3225:20 Unique 2.17, 5.54 A)
&rst
ixpk= 3225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1201,1202,
igr2=1559,1560,
&end
#
# 0 AMB 20-2:3226 0 AMB 20-1:3226 5.50 (# 3226:20 Double Ambig)
&rst
ixpk= 3226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 27, 28, 29,1270,1271,1272,1274,1275,1276,
igr2=1559,1560,1559,1560,
&end
#
# 0 AMB 20-2:3227 96 LYS HB- 5.50 (# 3227:20 Single Ambig)
&rst
ixpk= 3227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 87, 88,1568,1569,
igr2=1559,1560,
&end
#
# 7 TYR HB+ 96 LYS HB+ 5.50 (# 3229:20 Unique 1.94, 2.79 A)
&rst
ixpk= 3229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 87, 88,
igr2=1559,1560,
&end
#
# 0 AMB 20-2:3230 0 AMB 20-1:3230 5.50 (# 3230:20 Double Ambig)
&rst
ixpk= 3230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 44, 45,1155,1156,
igr2=1559,1560,1559,1560,
&end
#
# 9 PRO HA 96 LYS HB+ 5.50 (# 3232:20 Unique 2.54, 3.78 A)
&rst
ixpk= 3232, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1559,1560,
&end
#
# 9 PRO HA 96 LYS HB- 5.50 (# 3233:20 Unique 2.54, 3.78 A)
&rst
ixpk= 3233, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1559,1560,
&end
#
# 96 LYS HA 96 LYS HB+ 5.50 (# 3234:20 Unique 2.29, 2.71 A)
&rst
ixpk= 3234, nxpk= 20, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1559,1560,
&end
#
# 97 GLN HN 96 LYS HB+ 5.50 (# 3235:20 Unique 4.18, 4.38 A)
&rst
ixpk= 3235, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1559,1560,
&end
#
# 97 GLN HN 96 LYS HB- 5.50 (# 3236:20 Unique 4.18, 4.38 A)
&rst
ixpk= 3236, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1559,1560,
&end
#
# 96 LYS HD- 96 LYS HE+ 5.50 (# 3237:20 Unique 2.22, 2.69 A)
&rst
ixpk= 3237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1565,1566,
igr2=1568,1569,
&end
#
# 96 LYS HD- 96 LYS HE- 5.50 (# 3238:20 Unique 2.22, 2.69 A)
&rst
ixpk= 3238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1565,1566,
igr2=1568,1569,
&end
#
# 96 LYS HG+ 96 LYS HE+ 5.50 (# 3239:20 Unique 1.98, 3.20 A)
&rst
ixpk= 3239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1562,1563,
igr2=1568,1569,
&end
#
# 96 LYS HG+ 96 LYS HE- 5.50 (# 3240:20 Unique 1.98, 3.20 A)
&rst
ixpk= 3240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1562,1563,
igr2=1568,1569,
&end
#
# 96 LYS HD+ 96 LYS HE- 5.50 (# 3241:20 Unique 2.22, 2.69 A)
&rst
ixpk= 3241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1565,1566,
igr2=1568,1569,
&end
#
# 96 LYS HD+ 96 LYS HE+ 5.50 (# 3242:20 Unique 2.22, 2.69 A)
&rst
ixpk= 3242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1565,1566,
igr2=1568,1569,
&end
#
# 0 AMB 20-2:3243 0 AMB 20-1:3243 5.50 (# 3243:20 Double Ambig)
&rst
ixpk= 3243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1155,1156, 87, 88,
igr2=1568,1569,1568,1569,
&end
#
# 96 LYS HB- 96 LYS HE- 5.50 (# 3244:20 Unique 1.99, 3.62 A)
&rst
ixpk= 3244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1559,1560,
igr2=1568,1569,
&end
#
# 96 LYS HB+ 96 LYS HE+ 5.50 (# 3245:20 Unique 1.99, 3.62 A)
&rst
ixpk= 3245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1559,1560,
igr2=1568,1569,
&end
#
# 0 AMB 20-2:3246 96 LYS HE- 5.50 (# 3246:20 Single Ambig)
&rst
ixpk= 3246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1155,1156, 87, 88,
igr2=1568,1569,
&end
#
# 9 PRO HA 96 LYS HE- 5.50 (# 3248:20 Unique 1.97, 2.52 A)
&rst
ixpk= 3248, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1568,1569,
&end
#
# 9 PRO HA 96 LYS HE+ 5.50 (# 3249:20 Unique 1.97, 2.52 A)
&rst
ixpk= 3249, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1568,1569,
&end
#
# 11 VAL MGY 97 GLN HA 5.50 (# 3250:20 Unique 3.33, 5.57 A)
&rst
ixpk= 3250, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HB+ 97 GLN HA 5.50 (# 3251:20 Unique 4.02, 4.82 A)
&rst
ixpk= 3251, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1598,1599,
&end
#
# 0 AMB 20-2:3252 97 GLN HA 5.50 (# 3252:20 Single Ambig)
&rst
ixpk= 3252, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1581,1582,1568,1569,
&end
#
# 97 GLN HB+ 97 GLN HA 5.50 (# 3254:20 Unique 2.23, 2.51 A)
&rst
ixpk= 3254, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1581,1582,
&end
#
# 10 ASN HB+ 97 GLN HA 5.50 (# 3255:20 Unique 3.02, 4.61 A)
&rst
ixpk= 3255, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 0 AMB 20-2:3256 97 GLN HA 5.50 (# 3256:20 Single Ambig)
&rst
ixpk= 3256, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 138, 144,
&end
#
# 11 VAL HA 97 GLN HA 5.50 (# 3257:20 Unique 2.58, 3.08 A)
&rst
ixpk= 3257, nxpk= 20, iat= 158,1579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2+ 97 GLN HA 5.50 (# 3258:20 Unique 3.51, 5.31 A)
&rst
ixpk= 3258, nxpk= 20, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 12 GLY HN 97 GLN HA 5.50 (# 3260:20 Unique 3.65, 4.17 A)
&rst
ixpk= 3260, nxpk= 20, iat= 172,1579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 LYS HN 97 GLN HA 4.50 (# 3261:20 Unique 2.18, 2.28 A)
&rst
ixpk= 3261, nxpk= 20, iat=1594,1579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HN 97 GLN HA 5.50 (# 3262:20 Unique 2.57, 3.02 A)
&rst
ixpk= 3262, nxpk= 20, iat= 142,1579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLN HN 97 GLN HA 5.50 (# 3263:20 Unique 2.89, 2.91 A)
&rst
ixpk= 3263, nxpk= 20, iat=1577,1579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 LYS HB- 98 LYS HA 5.50 (# 3269:20 Unique 2.33, 2.62 A)
&rst
ixpk= 3269, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1598,1599,
&end
#
# 98 LYS HG- 98 LYS HA 5.50 (# 3270:20 Unique 2.22, 3.25 A)
&rst
ixpk= 3270, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1601,1602,
&end
#
# 98 LYS HG+ 98 LYS HA 5.50 (# 3271:20 Unique 2.22, 3.25 A)
&rst
ixpk= 3271, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1601,1602,
&end
#
# 98 LYS HD- 98 LYS HA 5.50 (# 3272:20 Unique 2.38, 4.76 A)
&rst
ixpk= 3272, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1604,1605,
&end
#
# 98 LYS HB+ 98 LYS HA 5.50 (# 3273:20 Unique 2.33, 2.62 A)
&rst
ixpk= 3273, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1598,1599,
&end
#
# 75 LEU MDY 98 LYS HA 5.50 (# 3274:20 Unique 3.38, 6.62 A)
&rst
ixpk= 3274, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 99 TRP HD1 98 LYS HA 5.50 (# 3275:20 Unique 2.77, 3.42 A)
&rst
ixpk= 3275, nxpk= 20, iat=1624,1596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HN 98 LYS HA 4.50 (# 3276:20 Unique 2.14, 2.18 A)
&rst
ixpk= 3276, nxpk= 20, iat=1616,1596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 LYS HN 98 LYS HA 5.50 (# 3277:20 Unique 2.91, 2.93 A)
&rst
ixpk= 3277, nxpk= 20, iat=1594,1596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 LYS HG- 98 LYS HB+ 5.50 (# 3280:20 Unique 2.26, 2.72 A)
&rst
ixpk= 3280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1598,1599,
&end
#
# 0 AMB 20-2:3281 98 LYS HB- 5.50 (# 3281:20 Single Ambig)
&rst
ixpk= 3281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 162, 163, 164, 166, 167, 168,1601,1602,
igr2=1598,1599,
&end
#
# 98 LYS HG- 98 LYS HB- 5.50 (# 3282:20 Unique 2.26, 2.72 A)
&rst
ixpk= 3282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1598,1599,
&end
#
# 0 AMB 20-2:3283 0 AMB 20-1:3283 4.50 (# 3283:20 Double Ambig)
&rst
ixpk= 3283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 162, 163, 164, 166, 167, 168,1601,1602,
igr2=1598,1599,1598,1599,
&end
#
# 98 LYS HD- 98 LYS HB+ 5.50 (# 3284:20 Unique 2.13, 3.13 A)
&rst
ixpk= 3284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,
igr2=1598,1599,
&end
#
# 98 LYS HD- 98 LYS HB- 5.50 (# 3285:20 Unique 2.13, 3.13 A)
&rst
ixpk= 3285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,
igr2=1598,1599,
&end
#
# 98 LYS HD+ 98 LYS HB- 5.50 (# 3286:20 Unique 2.13, 3.13 A)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,
igr2=1598,1599,
&end
#
# 98 LYS HD+ 98 LYS HB+ 5.50 (# 3287:20 Unique 2.13, 3.13 A)
&rst
ixpk= 3287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,
igr2=1598,1599,
&end
#
# 0 AMB 20-2:3289 98 LYS HB- 5.50 (# 3289:20 Single Ambig)
&rst
ixpk= 3289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 700, 701, 702, 755, 756,
igr2=1598,1599,
&end
#
# 98 LYS HE+ 98 LYS HB+ 5.50 (# 3291:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1598,1599,
&end
#
# 98 LYS HE+ 98 LYS HB- 5.50 (# 3292:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1598,1599,
&end
#
# 98 LYS HE- 98 LYS HB- 5.50 (# 3293:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1598,1599,
&end
#
# 98 LYS HA 98 LYS HB- 5.50 (# 3294:20 Unique 2.33, 2.62 A)
&rst
ixpk= 3294, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 98 LYS HA 98 LYS HB+ 5.50 (# 3295:20 Unique 2.33, 2.62 A)
&rst
ixpk= 3295, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 11 VAL HA 98 LYS HB+ 5.50 (# 3297:20 Unique 3.13, 4.71 A)
&rst
ixpk= 3297, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 97 GLN HA 98 LYS HB+ 5.50 (# 3298:20 Unique 4.02, 4.82 A)
&rst
ixpk= 3298, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 97 GLN HA 98 LYS HB- 5.50 (# 3299:20 Unique 4.02, 4.82 A)
&rst
ixpk= 3299, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 74 TRP HH2 98 LYS HB- 5.50 (# 3300:20 Unique 3.24, 4.54 A)
&rst
ixpk= 3300, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 99 TRP HN 98 LYS HB+ 5.50 (# 3301:20 Unique 3.05, 4.14 A)
&rst
ixpk= 3301, nxpk= 20, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 99 TRP HN 98 LYS HB- 5.50 (# 3302:20 Unique 3.05, 4.14 A)
&rst
ixpk= 3302, nxpk= 20, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 98 LYS HN 98 LYS HB+ 5.50 (# 3303:20 Unique 2.32, 3.01 A)
&rst
ixpk= 3303, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 98 LYS HN 98 LYS HB- 5.50 (# 3304:20 Unique 2.32, 3.01 A)
&rst
ixpk= 3304, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 98 LYS HB- 98 LYS HG+ 5.50 (# 3305:20 Unique 2.26, 2.72 A)
&rst
ixpk= 3305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1601,1602,
&end
#
# 98 LYS HB- 98 LYS HG- 5.50 (# 3306:20 Unique 2.26, 2.72 A)
&rst
ixpk= 3306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1601,1602,
&end
#
# 98 LYS HD- 98 LYS HG+ 5.50 (# 3307:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,
igr2=1601,1602,
&end
#
# 98 LYS HD- 98 LYS HG- 4.50 (# 3308:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1604,1605,
igr2=1601,1602,
&end
#
# 98 LYS HD+ 98 LYS HG- 5.50 (# 3309:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,
igr2=1601,1602,
&end
#
# 98 LYS HD+ 98 LYS HG+ 4.50 (# 3310:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1604,1605,
igr2=1601,1602,
&end
#
# 98 LYS HB+ 98 LYS HG+ 5.50 (# 3311:20 Unique 2.26, 2.72 A)
&rst
ixpk= 3311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1601,1602,
&end
#
# 98 LYS HB+ 98 LYS HG- 5.50 (# 3312:20 Unique 2.26, 2.72 A)
&rst
ixpk= 3312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1601,1602,
&end
#
# 0 AMB 20-2:3313 0 AMB 20-1:3313 5.50 (# 3313:20 Double Ambig)
&rst
ixpk= 3313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 700, 701, 702, 755, 756,
igr2=1601,1602,1601,1602,
&end
#
# 0 AMB 20-2:3314 98 LYS HG- 5.50 (# 3314:20 Single Ambig)
&rst
ixpk= 3314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 700, 701, 702, 755, 756,
igr2=1601,1602,
&end
#
# 98 LYS HE- 98 LYS HG+ 5.50 (# 3315:20 Unique 1.99, 3.20 A)
&rst
ixpk= 3315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1601,1602,
&end
#
# 98 LYS HE- 98 LYS HG- 5.50 (# 3316:20 Unique 1.99, 3.20 A)
&rst
ixpk= 3316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1601,1602,
&end
#
# 98 LYS HE+ 98 LYS HG+ 5.50 (# 3317:20 Unique 1.99, 3.20 A)
&rst
ixpk= 3317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1601,1602,
&end
#
# 98 LYS HE+ 98 LYS HG- 5.50 (# 3318:20 Unique 1.99, 3.20 A)
&rst
ixpk= 3318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1601,1602,
&end
#
# 98 LYS HA 98 LYS HG+ 5.50 (# 3319:20 Unique 2.22, 3.25 A)
&rst
ixpk= 3319, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 98 LYS HA 98 LYS HG- 5.50 (# 3320:20 Unique 2.22, 3.25 A)
&rst
ixpk= 3320, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 0 AMB 20-2:3321 0 AMB 20-1:3321 5.50 (# 3321:20 Double Ambig)
&rst
ixpk= 3321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1153,1103,
igr2=1601,1602,1601,1602,
&end
#
# 0 AMB 20-2:3322 98 LYS HG- 5.50 (# 3322:20 Single Ambig)
&rst
ixpk= 3322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1153,1103,
igr2=1601,1602,
&end
#
# 74 TRP HH2 98 LYS HG+ 5.50 (# 3323:20 Unique 2.85, 4.92 A)
&rst
ixpk= 3323, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 74 TRP HH2 98 LYS HG- 5.50 (# 3324:20 Unique 2.85, 4.92 A)
&rst
ixpk= 3324, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 99 TRP HN 98 LYS HG+ 5.50 (# 3325:20 Unique 3.00, 4.35 A)
&rst
ixpk= 3325, nxpk= 20, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 99 TRP HN 98 LYS HG- 5.50 (# 3326:20 Unique 3.00, 4.35 A)
&rst
ixpk= 3326, nxpk= 20, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 98 LYS HN 98 LYS HG- 5.50 (# 3327:20 Unique 2.05, 3.56 A)
&rst
ixpk= 3327, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 98 LYS HN 98 LYS HG+ 5.50 (# 3328:20 Unique 2.05, 3.56 A)
&rst
ixpk= 3328, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 71 THR HN 98 LYS HG+ 5.50 (# 3329:20 Unique 3.12, 5.33 A)
&rst
ixpk= 3329, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 71 THR HN 98 LYS HG- 5.50 (# 3330:20 Unique 3.12, 5.33 A)
&rst
ixpk= 3330, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 74 TRP HH2 98 LYS HD+ 5.50 (# 3331:20 Unique 2.86, 4.33 A)
&rst
ixpk= 3331, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1604,1605,
&end
#
# 74 TRP HH2 98 LYS HD- 5.50 (# 3332:20 Unique 2.86, 4.33 A)
&rst
ixpk= 3332, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1604,1605,
&end
#
# 98 LYS HA 98 LYS HD+ 5.50 (# 3337:20 Unique 2.38, 4.76 A)
&rst
ixpk= 3337, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1604,1605,
&end
#
# 98 LYS HA 98 LYS HD- 5.50 (# 3338:20 Unique 2.38, 4.76 A)
&rst
ixpk= 3338, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1604,1605,
&end
#
# 0 AMB 20-2:3339 0 AMB 20-1:3339 5.50 (# 3339:20 Double Ambig)
&rst
ixpk= 3339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1542,1543,1607,1608,
igr2=1201,1202,1604,1605,
&end
#
# 98 LYS HE+ 98 LYS HD- 5.50 (# 3340:20 Unique 2.22, 2.70 A)
&rst
ixpk= 3340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1604,1605,
&end
#
# 98 LYS HE- 98 LYS HD- 5.50 (# 3341:20 Unique 2.22, 2.70 A)
&rst
ixpk= 3341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1604,1605,
&end
#
# 98 LYS HE- 98 LYS HD+ 5.50 (# 3342:20 Unique 2.22, 2.70 A)
&rst
ixpk= 3342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608,
igr2=1604,1605,
&end
#
# 0 AMB 20-2:3343 0 AMB 20-1:3343 4.50 (# 3343:20 Double Ambig)
&rst
ixpk= 3343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 700, 701, 702,1542,1543,
igr2=1604,1605,1201,1202,
&end
#
# 46 ALA MB 98 LYS HD- 4.50 (# 3344:20 Unique 1.97, 3.47 A)
&rst
ixpk= 3344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 700, 701, 702,
igr2=1604,1605,
&end
#
# 98 LYS HB+ 98 LYS HD+ 5.50 (# 3345:20 Unique 2.13, 3.13 A)
&rst
ixpk= 3345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1604,1605,
&end
#
# 98 LYS HB+ 98 LYS HD- 5.50 (# 3346:20 Unique 2.13, 3.13 A)
&rst
ixpk= 3346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1604,1605,
&end
#
# 98 LYS HG- 98 LYS HD+ 5.50 (# 3347:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1604,1605,
&end
#
# 0 AMB 20-2:3348 0 AMB 20-1:3348 4.50 (# 3348:20 Double Ambig)
&rst
ixpk= 3348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1601,1602, 162, 163, 164, 166, 167, 168,
igr2=1604,1605,1604,1605,
&end
#
# 98 LYS HG- 98 LYS HD- 4.50 (# 3349:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1601,1602,
igr2=1604,1605,
&end
#
# 0 AMB 20-2:3350 98 LYS HD- 4.50 (# 3350:20 Single Ambig)
&rst
ixpk= 3350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1601,1602, 162, 163, 164, 166, 167, 168,
igr2=1604,1605,
&end
#
# 98 LYS HB- 98 LYS HD+ 5.50 (# 3351:20 Unique 2.13, 3.13 A)
&rst
ixpk= 3351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1604,1605,
&end
#
# 98 LYS HB- 98 LYS HD- 5.50 (# 3352:20 Unique 2.13, 3.13 A)
&rst
ixpk= 3352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1604,1605,
&end
#
# 98 LYS HB- 98 LYS HE- 5.50 (# 3353:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1607,1608,
&end
#
# 98 LYS HB- 98 LYS HE+ 5.50 (# 3354:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1607,1608,
&end
#
# 98 LYS HG+ 98 LYS HE+ 5.50 (# 3355:20 Unique 1.99, 3.20 A)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1607,1608,
&end
#
# 98 LYS HG- 98 LYS HE+ 5.50 (# 3356:20 Unique 1.99, 3.20 A)
&rst
ixpk= 3356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1607,1608,
&end
#
# 98 LYS HG- 98 LYS HE- 5.50 (# 3357:20 Unique 1.99, 3.20 A)
&rst
ixpk= 3357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1607,1608,
&end
#
# 98 LYS HG+ 98 LYS HE- 5.50 (# 3358:20 Unique 1.99, 3.20 A)
&rst
ixpk= 3358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1607,1608,
&end
#
# 98 LYS HD- 98 LYS HE+ 5.50 (# 3359:20 Unique 2.22, 2.70 A)
&rst
ixpk= 3359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,
igr2=1607,1608,
&end
#
# 98 LYS HD+ 98 LYS HE+ 5.50 (# 3360:20 Unique 2.22, 2.70 A)
&rst
ixpk= 3360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,
igr2=1607,1608,
&end
#
# 98 LYS HD+ 98 LYS HE- 5.50 (# 3361:20 Unique 2.22, 2.70 A)
&rst
ixpk= 3361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,
igr2=1607,1608,
&end
#
# 98 LYS HD- 98 LYS HE- 5.50 (# 3362:20 Unique 2.22, 2.70 A)
&rst
ixpk= 3362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,
igr2=1607,1608,
&end
#
# 98 LYS HB+ 98 LYS HE+ 5.50 (# 3363:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1607,1608,
&end
#
# 98 LYS HB+ 98 LYS HE- 5.50 (# 3364:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1598,1599,
igr2=1607,1608,
&end
#
# 46 ALA MB 98 LYS HE+ 5.50 (# 3365:20 Unique 2.24, 4.34 A)
&rst
ixpk= 3365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 700, 701, 702,
igr2=1607,1608,
&end
#
# 46 ALA MB 98 LYS HE- 5.50 (# 3366:20 Unique 2.24, 4.34 A)
&rst
ixpk= 3366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 700, 701, 702,
igr2=1607,1608,
&end
#
# 70 SER HB- 98 LYS HE+ 5.50 (# 3368:20 Unique 3.65, 6.34 A)
&rst
ixpk= 3368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1092,1093,
igr2=1607,1608,
&end
#
# 70 SER HB+ 98 LYS HE+ 5.50 (# 3369:20 Unique 3.65, 6.34 A)
&rst
ixpk= 3369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1092,1093,
igr2=1607,1608,
&end
#
# 70 SER HB+ 98 LYS HE- 5.50 (# 3370:20 Unique 3.65, 6.34 A)
&rst
ixpk= 3370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1092,1093,
igr2=1607,1608,
&end
#
# 98 LYS HA 98 LYS HE+ 5.50 (# 3371:20 Unique 2.99, 4.76 A)
&rst
ixpk= 3371, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1607,1608,
&end
#
# 98 LYS HA 98 LYS HE- 5.50 (# 3372:20 Unique 2.99, 4.76 A)
&rst
ixpk= 3372, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1607,1608,
&end
#
# 74 TRP HH2 98 LYS HE- 5.50 (# 3374:20 Unique 3.40, 5.01 A)
&rst
ixpk= 3374, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1607,1608,
&end
#
# 74 TRP HE1 98 LYS HE- 5.50 (# 3377:20 Unique 2.69, 4.23 A)
&rst
ixpk= 3377, nxpk= 20, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1607,1608,
&end
#
# 100 PHE HN 99 TRP HA 4.50 (# 3378:20 Unique 2.14, 2.16 A)
&rst
ixpk= 3378, nxpk= 20, iat=1640,1618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 GLY HN 99 TRP HA 5.50 (# 3379:20 Unique 2.97, 3.30 A)
&rst
ixpk= 3379, nxpk= 20, iat= 172,1618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HE3 99 TRP HA 5.50 (# 3381:20 Unique 3.28, 3.68 A)
&rst
ixpk= 3381, nxpk= 20, iat=1635,1618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HD1 99 TRP HA 5.50 (# 3382:20 Unique 3.15, 3.84 A)
&rst
ixpk= 3382, nxpk= 20, iat=1624,1618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HA 99 TRP HA 5.50 (# 3383:20 Unique 4.84, 5.16 A)
&rst
ixpk= 3383, nxpk= 20, iat= 158,1618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HB- 99 TRP HA 5.50 (# 3384:20 Unique 2.40, 2.75 A)
&rst
ixpk= 3384, nxpk= 20, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1620,1621,
&end
#
# 99 TRP HB+ 99 TRP HA 5.50 (# 3385:20 Unique 2.40, 2.75 A)
&rst
ixpk= 3385, nxpk= 20, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1620,1621,
&end
#
# 0 AMB 20-2:3386 99 TRP HA 5.50 (# 3386:20 Single Ambig)
&rst
ixpk= 3386, nxpk= 20, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1644,1645,1644,1645,
&end
#
# 11 VAL HB 99 TRP HA 5.50 (# 3387:20 Unique 5.34, 5.56 A)
&rst
ixpk= 3387, nxpk= 20, iat= 160,1618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3388 99 TRP HA 5.50 (# 3388:20 Single Ambig)
&rst
ixpk= 3388, nxpk= 20, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1604,1605, 185, 186, 187, 227, 228, 229,
&end
#
# 0 AMB 20-2:3389 99 TRP HA 5.50 (# 3389:20 Single Ambig)
&rst
ixpk= 3389, nxpk= 20, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 162, 163, 164, 166, 167, 168,1601,1602, 192, 193,
194,
&end
#
# 147 VAL MGX 99 TRP HB+ 5.50 (# 3390:20 Unique 1.97, 4.03 A)
&rst
ixpk= 3390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2438,2439,2440,2442,2443,2444,
igr2=1620,1621,
&end
#
# 147 VAL MGX 99 TRP HB- 5.50 (# 3391:20 Unique 1.97, 4.03 A)
&rst
ixpk= 3391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2438,2439,2440,2442,2443,2444,
igr2=1620,1621,
&end
#
# 71 THR MG2 99 TRP HB+ 5.50 (# 3392:20 Unique 1.99, 4.24 A)
&rst
ixpk= 3392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1105,1106,1107,
igr2=1620,1621,
&end
#
# 71 THR MG2 99 TRP HB- 5.50 (# 3393:20 Unique 1.99, 4.24 A)
&rst
ixpk= 3393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1105,1106,1107,
igr2=1620,1621,
&end
#
# 99 TRP HA 99 TRP HB+ 5.50 (# 3394:20 Unique 2.40, 2.75 A)
&rst
ixpk= 3394, nxpk= 20, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1620,1621,
&end
#
# 99 TRP HA 99 TRP HB- 5.50 (# 3395:20 Unique 2.40, 2.75 A)
&rst
ixpk= 3395, nxpk= 20, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1620,1621,
&end
#
# 99 TRP HD1 99 TRP HB+ 5.50 (# 3396:20 Unique 2.70, 3.35 A)
&rst
ixpk= 3396, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1620,1621,
&end
#
# 99 TRP HD1 99 TRP HB- 5.50 (# 3397:20 Unique 2.70, 3.35 A)
&rst
ixpk= 3397, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1620,1621,
&end
#
# 99 TRP HE3 99 TRP HB+ 5.50 (# 3398:20 Unique 2.40, 3.21 A)
&rst
ixpk= 3398, nxpk= 20, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1620,1621,
&end
#
# 99 TRP HE3 99 TRP HB- 5.50 (# 3399:20 Unique 2.40, 3.21 A)
&rst
ixpk= 3399, nxpk= 20, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1620,1621,
&end
#
# 99 TRP HN 99 TRP HB+ 5.50 (# 3400:20 Unique 2.25, 3.05 A)
&rst
ixpk= 3400, nxpk= 20, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1620,1621,
&end
#
# 99 TRP HN 99 TRP HB- 5.50 (# 3401:20 Unique 2.25, 3.05 A)
&rst
ixpk= 3401, nxpk= 20, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1620,1621,
&end
#
# 71 THR HN 99 TRP HB- 5.50 (# 3402:20 Unique 3.60, 5.04 A)
&rst
ixpk= 3402, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1620,1621,
&end
#
# 100 PHE HN 0 AMB 20-1:3403 5.50 (# 3403:20 Single Ambig)
&rst
ixpk= 3403, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1644,1645,1644,1645,
&end
#
# 101 LEU HN 0 AMB 20-1:3404 5.50 (# 3404:20 Single Ambig)
&rst
ixpk= 3404, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1644,1645,1644,1645,
&end
#
# 0 AMB 20-2:3405 0 AMB 20-1:3405 5.50 (# 3405:20 Double Ambig)
&rst
ixpk= 3405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 773, 782,1029,
igr2=1644,1645,1644,1645,1644,1645,
&end
#
# 99 TRP HA 0 AMB 20-1:3406 5.50 (# 3406:20 Single Ambig)
&rst
ixpk= 3406, nxpk= 20, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1644,1645,1644,1645,
&end
#
# 0 AMB 20-2:3408 0 AMB 20-1:3408 5.50 (# 3408:20 Double Ambig)
&rst
ixpk= 3408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 755, 756, 755, 756,
igr2=1644,1645,1644,1645,
&end
#
# 102 LEU MDX 0 AMB 20-1:3409 5.50 (# 3409:20 Single Ambig)
&rst
ixpk= 3409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1688,1689,1690,1692,1693,1694,
igr2=1644,1645,1644,1645,
&end
#
# 0 AMB 20-2:3410 0 AMB 20-1:3410 5.50 (# 3410:20 Double Ambig)
&rst
ixpk= 3410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 759, 760, 761,1601,1602,
igr2=1644,1645,1644,1645,
&end
#
# 101 LEU MDX 101 LEU HA 5.50 (# 3411:20 Unique 1.99, 3.58 A)
&rst
ixpk= 3411, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1669,1670,1671,1673,1674,1675,
&end
#
# 101 LEU MDY 101 LEU HB+ 5.50 (# 3412:20 Unique 1.99, 3.37 A)
&rst
ixpk= 3412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2=1664,1665,
&end
#
# 101 LEU MDX 101 LEU HB+ 5.50 (# 3413:20 Unique 1.99, 3.37 A)
&rst
ixpk= 3413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2=1664,1665,
&end
#
# 101 LEU MDY 101 LEU HB- 5.50 (# 3414:20 Unique 1.99, 3.37 A)
&rst
ixpk= 3414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2=1664,1665,
&end
#
# 101 LEU MDX 101 LEU HB- 5.50 (# 3415:20 Unique 1.99, 3.37 A)
&rst
ixpk= 3415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2=1664,1665,
&end
#
# 69 ALA MB 101 LEU HB+ 5.50 (# 3416:20 Unique 1.98, 3.06 A)
&rst
ixpk= 3416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1082,1083,1084,
igr2=1664,1665,
&end
#
# 69 ALA MB 101 LEU HB- 5.50 (# 3417:20 Unique 1.98, 3.06 A)
&rst
ixpk= 3417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1082,1083,1084,
igr2=1664,1665,
&end
#
# 101 LEU HA 101 LEU HB+ 5.50 (# 3418:20 Unique 2.38, 2.77 A)
&rst
ixpk= 3418, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 101 LEU HA 101 LEU HB- 5.50 (# 3419:20 Unique 2.38, 2.77 A)
&rst
ixpk= 3419, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 103 GLN HE2- 101 LEU HB+ 5.50 (# 3421:20 Unique 4.19, 6.12 A)
&rst
ixpk= 3421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1710,1711,
igr2=1664,1665,
&end
#
# 69 ALA HN 101 LEU HB+ 5.50 (# 3422:20 Unique 1.94, 3.40 A)
&rst
ixpk= 3422, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 69 ALA HN 101 LEU HB- 5.50 (# 3423:20 Unique 1.94, 3.40 A)
&rst
ixpk= 3423, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 101 LEU HN 101 LEU HB+ 5.50 (# 3424:20 Unique 2.20, 2.58 A)
&rst
ixpk= 3424, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 101 LEU HN 101 LEU HB- 5.50 (# 3425:20 Unique 2.20, 2.58 A)
&rst
ixpk= 3425, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 0 AMB 20-2:3426 101 LEU HG 5.50 (# 3426:20 Single Ambig)
&rst
ixpk= 3426, nxpk= 20, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 204, 205, 206, 208, 209, 210,1669,1670,1671,1673,
1674,1675,
&end
#
# 0 AMB 20-2:3427 0 AMB 20-1:3427 5.50 (# 3427:20 Double Ambig)
&rst
ixpk= 3427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 224, 225,1066,
igr2=1724,1725,1726,1728,1729,1730,1667,
&end
#
# 102 LEU HN 101 LEU MDX 4.50 (# 3428:20 Unique 1.94, 4.57 A)
&rst
ixpk= 3428, nxpk= 20, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3429 0 AMB 20-1:3429 5.50 (# 3429:20 Double Ambig)
&rst
ixpk= 3429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2363,1660,
igr2=2232,2233,2234,2236,2237,2238,1669,1670,1671,1673,
1674,1675,
&end
#
# 101 LEU HA 101 LEU MDX 4.50 (# 3430:20 Unique 1.99, 3.58 A)
&rst
ixpk= 3430, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3431 0 AMB 20-1:3431 5.50 (# 3431:20 Double Ambig)
&rst
ixpk= 3431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2506,2507,2367,2368,
igr2=1669,1670,1671,1673,1674,1675,2232,2233,2234,2236,
2237,2238,
&end
#
# 0 AMB 20-2:3432 0 AMB 20-1:3432 5.50 (# 3432:20 Double Ambig)
&rst
ixpk= 3432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 555, 556, 237, 238,
igr2=2232,2233,2234,2236,2237,2238,1669,1670,1671,1673,
1674,1675,
&end
#
# 0 AMB 20-2:3433 136 VAL MGY 4.50 (# 3433:20 Single Ambig)
&rst
ixpk= 3433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2318,2319,2315,2316,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:3434 101 LEU MDX 2.80 (# 3434:20 Single Ambig)
&rst
ixpk= 3434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1664,1665,2565,2566,2567,2569,2570,2571,2549,2550,
2551,2553,2554,2555,1667,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 101 LEU HB- 101 LEU MDX 5.50 (# 3436:20 Unique 1.99, 3.37 A)
&rst
ixpk= 3436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1664,1665,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 102 LEU HN 101 LEU MDY 5.50 (# 3437:20 Unique 1.94, 4.57 A)
&rst
ixpk= 3437, nxpk= 20, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 68 LEU HN 101 LEU MDY 5.50 (# 3438:20 Unique 3.22, 5.84 A)
&rst
ixpk= 3438, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 101 LEU HN 101 LEU MDY 5.50 (# 3439:20 Unique 3.76, 5.13 A)
&rst
ixpk= 3439, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3440 101 LEU MDY 5.50 (# 3440:20 Single Ambig)
&rst
ixpk= 3440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2575,1088,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 69 ALA HN 101 LEU MDY 5.50 (# 3441:20 Unique 2.75, 5.28 A)
&rst
ixpk= 3441, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 155 VAL HN 101 LEU MDY 5.50 (# 3442:20 Unique 2.66, 5.38 A)
&rst
ixpk= 3442, nxpk= 20, iat=2559, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3443 101 LEU MDY 5.50 (# 3443:20 Single Ambig)
&rst
ixpk= 3443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2543,2603,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 103 GLN HE2- 101 LEU MDY 5.50 (# 3444:20 Unique 1.93, 4.36 A)
&rst
ixpk= 3444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1710,1711,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 101 LEU HA 101 LEU MDY 5.50 (# 3445:20 Unique 1.99, 3.58 A)
&rst
ixpk= 3445, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 151 PHE HA 101 LEU MDY 5.50 (# 3446:20 Unique 4.09, 6.31 A)
&rst
ixpk= 3446, nxpk= 20, iat=2504, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 68 LEU HA 101 LEU MDY 5.50 (# 3447:20 Unique 4.49, 7.52 A)
&rst
ixpk= 3447, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 151 PHE HB+ 101 LEU MDY 5.50 (# 3448:20 Unique 1.99, 4.13 A)
&rst
ixpk= 3448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2506,2507,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 151 PHE HB- 101 LEU MDY 5.50 (# 3449:20 Unique 1.99, 4.13 A)
&rst
ixpk= 3449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2506,2507,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3450 101 LEU MDY 5.50 (# 3450:20 Single Ambig)
&rst
ixpk= 3450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2547, 202,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3451 101 LEU MDY 5.50 (# 3451:20 Single Ambig)
&rst
ixpk= 3451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2491,2492,1020,1021, 265, 266,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 155 VAL HB 101 LEU MDY 5.50 (# 3452:20 Unique 1.97, 4.86 A)
&rst
ixpk= 3452, nxpk= 20, iat=2563, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3453 101 LEU MDY 5.50 (# 3453:20 Single Ambig)
&rst
ixpk= 3453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1686,1023,1024,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3454 101 LEU MDY 4.50 (# 3454:20 Single Ambig)
&rst
ixpk= 3454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1082,1083,1084,1063,1064,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3455 101 LEU MDY 3.50 (# 3455:20 Single Ambig)
&rst
ixpk= 3455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1=1664,1665,2565,2566,2567,2569,2570,2571,2549,2550,
2551,2553,2554,2555,1068,1069,1070,1072,1073,1074,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3456 101 LEU MDY 3.50 (# 3456:20 Single Ambig)
&rst
ixpk= 3456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=2565,2566,2567,2569,2570,2571,2549,2550,2551,2553,
2554,2555,1667,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 154 VAL MGY 101 LEU MDY 3.50 (# 3457:20 Unique 2.00, 5.81 A)
&rst
ixpk= 3457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2549,2550,2551,2553,2554,2555,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 101 LEU HB- 101 LEU MDY 5.50 (# 3459:20 Unique 1.99, 3.37 A)
&rst
ixpk= 3459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1664,1665,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 68 LEU HB- 101 LEU MDX 4.50 (# 3460:20 Unique 2.17, 5.33 A)
&rst
ixpk= 3460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1063,1064,
igr2=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 20-2:3461 0 AMB 20-1:3461 4.50 (# 3461:20 Double Ambig)
&rst
ixpk= 3461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1082,1083,1084,1063,1064, 514, 515,
igr2=1669,1670,1671,1673,1674,1675,2232,2233,2234,2236,
2237,2238,
&end
#
# 0 AMB 20-2:3462 136 VAL MGY 4.50 (# 3462:20 Single Ambig)
&rst
ixpk= 3462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2293,2294,2318,2319,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:3463 102 LEU HA 4.50 (# 3463:20 Single Ambig)
&rst
ixpk= 3463, nxpk= 20, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1688,1689,1690,1692,1693,1694,1068,1069,1070,1072,
1073,1074,
&end
#
# 68 LEU MDX 102 LEU HA 5.50 (# 3464:20 Unique 2.09, 6.92 A)
&rst
ixpk= 3464, nxpk= 20, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1068,1069,1070,1072,1073,1074,
&end
#
# 102 LEU HB- 102 LEU HA 5.50 (# 3465:20 Unique 2.31, 2.77 A)
&rst
ixpk= 3465, nxpk= 20, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1683,1684,
&end
#
# 102 LEU HG 102 LEU HA 5.50 (# 3466:20 Unique 2.60, 3.15 A)
&rst
ixpk= 3466, nxpk= 20, iat=1686,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LEU HB+ 102 LEU HA 5.50 (# 3467:20 Unique 2.31, 2.77 A)
&rst
ixpk= 3467, nxpk= 20, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1683,1684,
&end
#
# 65 VAL HB 102 LEU HA 5.50 (# 3468:20 Unique 3.77, 4.37 A)
&rst
ixpk= 3468, nxpk= 20, iat=1004,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HA 102 LEU HA 5.50 (# 3469:20 Unique 2.48, 2.75 A)
&rst
ixpk= 3469, nxpk= 20, iat=1042,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HN 102 LEU HA 4.50 (# 3470:20 Unique 2.16, 2.21 A)
&rst
ixpk= 3470, nxpk= 20, iat=1698,1681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 LEU HN 102 LEU HA 5.50 (# 3471:20 Unique 2.63, 3.04 A)
&rst
ixpk= 3471, nxpk= 20, iat=1059,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LEU HN 102 LEU HA 5.50 (# 3472:20 Unique 2.89, 2.92 A)
&rst
ixpk= 3472, nxpk= 20, iat=1679,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LEU HN 102 LEU HB+ 5.50 (# 3473:20 Unique 2.12, 2.98 A)
&rst
ixpk= 3473, nxpk= 20, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 102 LEU HN 102 LEU HB- 5.50 (# 3474:20 Unique 2.12, 2.98 A)
&rst
ixpk= 3474, nxpk= 20, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 103 GLN HN 102 LEU HB+ 5.50 (# 3475:20 Unique 2.58, 3.62 A)
&rst
ixpk= 3475, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 103 GLN HN 102 LEU HB- 5.50 (# 3476:20 Unique 2.58, 3.62 A)
&rst
ixpk= 3476, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 66 ARG HN 102 LEU HB- 5.50 (# 3477:20 Unique 2.44, 3.86 A)
&rst
ixpk= 3477, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 65 VAL HA 102 LEU HB- 5.50 (# 3478:20 Unique 3.95, 5.18 A)
&rst
ixpk= 3478, nxpk= 20, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 102 LEU HA 102 LEU HB- 5.50 (# 3479:20 Unique 2.31, 2.77 A)
&rst
ixpk= 3479, nxpk= 20, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 102 LEU HA 102 LEU HB+ 5.50 (# 3480:20 Unique 2.31, 2.77 A)
&rst
ixpk= 3480, nxpk= 20, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 15 ILE HA 102 LEU HB- 5.50 (# 3481:20 Unique 2.36, 3.36 A)
&rst
ixpk= 3481, nxpk= 20, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 15 ILE HA 102 LEU HB+ 5.50 (# 3482:20 Unique 2.36, 3.36 A)
&rst
ixpk= 3482, nxpk= 20, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 65 VAL HB 102 LEU HB+ 5.50 (# 3484:20 Unique 1.97, 3.34 A)
&rst
ixpk= 3484, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 65 VAL HB 102 LEU HB- 5.50 (# 3485:20 Unique 1.97, 3.34 A)
&rst
ixpk= 3485, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 102 LEU HG 102 LEU HB+ 5.50 (# 3486:20 Unique 2.35, 2.66 A)
&rst
ixpk= 3486, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 102 LEU HG 102 LEU HB- 5.50 (# 3487:20 Unique 2.35, 2.66 A)
&rst
ixpk= 3487, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1683,1684,
&end
#
# 65 VAL MGY 102 LEU HB- 4.50 (# 3492:20 Unique 3.05, 5.02 A)
&rst
ixpk= 3492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1006,1007,1008,1010,1011,1012,
igr2=1683,1684,
&end
#
# 0 AMB 20-2:3493 102 LEU HB- 4.50 (# 3493:20 Single Ambig)
&rst
ixpk= 3493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 227, 228, 229,1688,1689,1690,1692,1693,1694,
igr2=1683,1684,
&end
#
# 0 AMB 20-2:3494 0 AMB 20-1:3494 4.50 (# 3494:20 Double Ambig)
&rst
ixpk= 3494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1006,1007,1008,1010,1011,1012,1006,1007,1008,1010,
1011,1012,
igr2=1683,1684,1683,1684,
&end
#
# 0 AMB 20-2:3495 0 AMB 20-1:3495 4.50 (# 3495:20 Double Ambig)
&rst
ixpk= 3495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 227, 228, 229,1688,1689,1690,1692,1693,1694,
igr2=1683,1684,1683,1684,
&end
#
# 40 ILE HN 40 ILE HG1- 5.50 (# 3496:20 Unique 1.94, 2.92 A)
&rst
ixpk= 3496, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 626, 627,
&end
#
# 80 PRO HD- 79 LEU MDX 5.50 (# 3497:20 Unique 2.43, 5.32 A)
&rst
ixpk= 3497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1281,1282,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 102 LEU HN 102 LEU MDY 5.50 (# 3498:20 Unique 2.23, 4.55 A)
&rst
ixpk= 3498, nxpk= 20, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 103 GLN HN 102 LEU MDY 5.50 (# 3499:20 Unique 2.22, 5.00 A)
&rst
ixpk= 3499, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 66 ARG HN 102 LEU MDY 5.50 (# 3500:20 Unique 1.85, 4.52 A)
&rst
ixpk= 3500, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 69 ALA HN 102 LEU MDY 5.50 (# 3501:20 Unique 3.77, 6.71 A)
&rst
ixpk= 3501, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 65 VAL HN 102 LEU MDY 5.50 (# 3502:20 Unique 5.15, 7.03 A)
&rst
ixpk= 3502, nxpk= 20, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 51 TYR HD 102 LEU MDY 5.50 (# 3503:20 Unique 2.79, 6.23 A)
&rst
ixpk= 3503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 773, 782,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 102 LEU HA 102 LEU MDY 5.50 (# 3504:20 Unique 1.90, 3.66 A)
&rst
ixpk= 3504, nxpk= 20, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 0 AMB 20-2:3505 102 LEU MDY 5.50 (# 3505:20 Single Ambig)
&rst
ixpk= 3505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1644,1645,1644,1645,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 65 VAL HB 102 LEU MDY 5.50 (# 3506:20 Unique 1.95, 3.83 A)
&rst
ixpk= 3506, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 0 AMB 20-2:3507 102 LEU MDY 5.50 (# 3507:20 Single Ambig)
&rst
ixpk= 3507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1044, 218,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 0 AMB 20-2:3508 102 LEU MDY 3.50 (# 3508:20 Single Ambig)
&rst
ixpk= 3508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1683,1684, 224, 225,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 102 LEU HG 102 LEU MDY 2.80 (# 3509:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3509, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 102 LEU HB- 102 LEU MDY 4.50 (# 3510:20 Unique 2.16, 3.33 A)
&rst
ixpk= 3510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1683,1684,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 0 AMB 20-2:3511 102 LEU MDY 4.50 (# 3511:20 Single Ambig)
&rst
ixpk= 3511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 192, 193, 194, 759, 760, 761,
igr2=1688,1689,1690,1692,1693,1694,
&end
#
# 0 AMB 20-2:3512 103 GLN HA 5.50 (# 3512:20 Single Ambig)
&rst
ixpk= 3512, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 227, 228, 229,1068,1069,1070,1072,1073,1074,2612,
2613,2614,2616,2617,2618,2565,2566,2567,2569,2570,
2571,
&end
#
# 0 AMB 20-2:3513 103 GLN HA 5.50 (# 3513:20 Single Ambig)
&rst
ixpk= 3513, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1066, 224, 225,
&end
#
# 0 AMB 20-2:3514 103 GLN HA 5.50 (# 3514:20 Single Ambig)
&rst
ixpk= 3514, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 220, 221, 222,1006,1007,1008,1010,1011,1012,
&end
#
# 0 AMB 20-2:3515 103 GLN HA 5.50 (# 3515:20 Single Ambig)
&rst
ixpk= 3515, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 265, 266,1023,1024,
&end
#
# 103 GLN HB- 103 GLN HA 4.50 (# 3516:20 Unique 2.45, 2.82 A)
&rst
ixpk= 3516, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1702,1703,
&end
#
# 103 GLN HB+ 103 GLN HA 5.50 (# 3517:20 Unique 2.45, 2.82 A)
&rst
ixpk= 3517, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1702,1703,
&end
#
# 0 AMB 20-2:3518 103 GLN HA 4.50 (# 3518:20 Single Ambig)
&rst
ixpk= 3518, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1705,1706,1705,1706,
&end
#
# 104 LEU HN 103 GLN HA 4.50 (# 3519:20 Unique 2.14, 2.18 A)
&rst
ixpk= 3519, nxpk= 20, iat=1715,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 GLN HN 103 GLN HA 5.50 (# 3520:20 Unique 2.90, 2.92 A)
&rst
ixpk= 3520, nxpk= 20, iat=1698,1700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 CYS HN 103 GLN HA 5.50 (# 3521:20 Unique 2.40, 3.20 A)
&rst
ixpk= 3521, nxpk= 20, iat= 233,1700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HN 103 GLN HB+ 5.50 (# 3522:20 Unique 2.17, 2.86 A)
&rst
ixpk= 3522, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1702,1703,
&end
#
# 103 GLN HN 103 GLN HB- 5.50 (# 3523:20 Unique 2.17, 2.86 A)
&rst
ixpk= 3523, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1702,1703,
&end
#
# 103 GLN HA 103 GLN HB- 5.50 (# 3524:20 Unique 2.45, 2.82 A)
&rst
ixpk= 3524, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1702,1703,
&end
#
# 0 AMB 20-2:3526 0 AMB 20-1:3526 3.50 (# 3526:20 Double Ambig)
&rst
ixpk= 3526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1702,1703,2610,
igr2=1705,1706,1705,1706,1705,1706,
&end
#
# 103 GLN HA 0 AMB 20-1:3527 5.50 (# 3527:20 Single Ambig)
&rst
ixpk= 3527, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1705,1706,1705,1706,
&end
#
# 103 GLN HE2- 0 AMB 20-1:3528 5.50 (# 3528:20 Single Ambig)
&rst
ixpk= 3528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1710,1711,
igr2=1705,1706,1705,1706,
&end
#
# 0 AMB 20-2:3529 0 AMB 20-1:3529 4.50 (# 3529:20 Double Ambig)
&rst
ixpk= 3529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1710,1711,1710,1711,
igr2=1705,1706,1705,1706,
&end
#
# 104 LEU HN 0 AMB 20-1:3530 5.50 (# 3530:20 Single Ambig)
&rst
ixpk= 3530, nxpk= 20, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1705,1706,1705,1706,
&end
#
# 103 GLN HN 0 AMB 20-1:3531 5.50 (# 3531:20 Single Ambig)
&rst
ixpk= 3531, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1705,1706,1705,1706,
&end
#
# 105 VAL HN 104 LEU HA 5.50 (# 3532:20 Unique 2.14, 2.18 A)
&rst
ixpk= 3532, nxpk= 20, iat=1734,1717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HN 104 LEU HA 5.50 (# 3533:20 Unique 2.77, 2.83 A)
&rst
ixpk= 3533, nxpk= 20, iat=1715,1717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HB- 104 LEU HA 5.50 (# 3534:20 Unique 2.35, 2.74 A)
&rst
ixpk= 3534, nxpk= 20, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1719,1720,
&end
#
# 104 LEU MDY 104 LEU HB- 5.50 (# 3535:20 Unique 1.98, 3.28 A)
&rst
ixpk= 3535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1719,1720,
&end
#
# 0 AMB 20-2:3536 104 LEU HB- 4.50 (# 3536:20 Single Ambig)
&rst
ixpk= 3536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1724,1725,1726,1728,1729,1730, 220, 221, 222,
igr2=1719,1720,
&end
#
# 104 LEU MDX 104 LEU HB+ 5.50 (# 3537:20 Unique 1.98, 3.28 A)
&rst
ixpk= 3537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1719,1720,
&end
#
# 104 LEU MDY 104 LEU HB+ 5.50 (# 3538:20 Unique 1.98, 3.28 A)
&rst
ixpk= 3538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1719,1720,
&end
#
# 104 LEU HA 104 LEU HB+ 5.50 (# 3541:20 Unique 2.35, 2.74 A)
&rst
ixpk= 3541, nxpk= 20, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 104 LEU HA 104 LEU HB- 5.50 (# 3542:20 Unique 2.35, 2.74 A)
&rst
ixpk= 3542, nxpk= 20, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 17 ASN HA 104 LEU HB- 5.50 (# 3543:20 Unique 1.82, 2.68 A)
&rst
ixpk= 3543, nxpk= 20, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 17 ASN HA 104 LEU HB+ 5.50 (# 3544:20 Unique 1.82, 2.68 A)
&rst
ixpk= 3544, nxpk= 20, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 103 GLN HA 104 LEU HB+ 5.50 (# 3545:20 Unique 4.15, 4.60 A)
&rst
ixpk= 3545, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 103 GLN HA 104 LEU HB- 5.50 (# 3546:20 Unique 4.15, 4.60 A)
&rst
ixpk= 3546, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 17 ASN HD2+ 104 LEU HB- 5.50 (# 3547:20 Unique 2.90, 4.80 A)
&rst
ixpk= 3547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 253, 254,
igr2=1719,1720,
&end
#
# 104 LEU HN 104 LEU HB- 5.50 (# 3549:20 Unique 2.05, 2.55 A)
&rst
ixpk= 3549, nxpk= 20, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 104 LEU HN 104 LEU HB+ 5.50 (# 3550:20 Unique 2.05, 2.55 A)
&rst
ixpk= 3550, nxpk= 20, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 105 VAL HN 104 LEU HB+ 5.50 (# 3551:20 Unique 3.67, 4.37 A)
&rst
ixpk= 3551, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 105 VAL HN 104 LEU HB- 5.50 (# 3552:20 Unique 3.67, 4.37 A)
&rst
ixpk= 3552, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 105 VAL HN 104 LEU HG 5.50 (# 3553:20 Unique 2.71, 3.86 A)
&rst
ixpk= 3553, nxpk= 20, iat=1734,1722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HN 104 LEU HG 5.50 (# 3554:20 Unique 3.32, 4.36 A)
&rst
ixpk= 3554, nxpk= 20, iat=1715,1722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 SER HN 104 LEU HG 5.50 (# 3555:20 Unique 1.93, 3.13 A)
&rst
ixpk= 3555, nxpk= 20, iat=1750,1722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3556 0 AMB 20-1:3556 5.50 (# 3556:20 Double Ambig)
&rst
ixpk= 3556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1857,1717,
igr2=1926,1927,1722,
&end
#
# 0 AMB 20-2:3557 0 AMB 20-1:3557 5.50 (# 3557:20 Double Ambig)
&rst
ixpk= 3557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1840,1932,1910,
igr2=1926,1927,1926,1927,1926,1927,
&end
#
# 155 VAL HA 158 LEU HG 5.50 (# 3558:20 Unique 2.58, 4.58 A)
&rst
ixpk= 3558, nxpk= 20, iat=2561,2610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HB+ 104 LEU HG 5.50 (# 3559:20 Unique 2.28, 2.73 A)
&rst
ixpk= 3559, nxpk= 20, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1719,1720,
&end
#
# 104 LEU HB- 104 LEU HG 5.50 (# 3560:20 Unique 2.28, 2.73 A)
&rst
ixpk= 3560, nxpk= 20, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1719,1720,
&end
#
# 104 LEU MDX 104 LEU HG 4.50 (# 3561:20 Unique 2.21, 2.63 A)
&rst
ixpk= 3561, nxpk= 20, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU MDY 104 LEU HG 4.50 (# 3562:20 Unique 2.21, 2.63 A)
&rst
ixpk= 3562, nxpk= 20, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 20-2:3563 158 LEU HG 3.50 (# 3563:20 Single Ambig)
&rst
ixpk= 3563, nxpk= 20, iat= -1,2610, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2612,2613,2614,2616,2617,2618,2612,2613,2614,2616,
2617,2618,
&end
#
# 111 ILE QD1 104 LEU MDX 5.50 (# 3564:20 Unique 1.99, 4.56 A)
&rst
ixpk= 3564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1818,1819,1820,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU HB- 104 LEU MDX 4.50 (# 3565:20 Unique 1.98, 3.28 A)
&rst
ixpk= 3565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1719,1720,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU HG 104 LEU MDX 3.50 (# 3566:20 Unique 2.21, 2.63 A)
&rst
ixpk= 3566, nxpk= 20, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU HB+ 104 LEU MDX 5.50 (# 3567:20 Unique 1.98, 3.28 A)
&rst
ixpk= 3567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1719,1720,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU HA 104 LEU MDX 4.50 (# 3568:20 Unique 1.96, 3.90 A)
&rst
ixpk= 3568, nxpk= 20, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 65 VAL HA 104 LEU MDX 5.50 (# 3569:20 Unique 4.57, 7.14 A)
&rst
ixpk= 3569, nxpk= 20, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 106 SER HN 104 LEU MDX 4.50 (# 3570:20 Unique 1.83, 4.23 A)
&rst
ixpk= 3570, nxpk= 20, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 107 GLY HN 104 LEU MDX 5.50 (# 3571:20 Unique 1.95, 3.51 A)
&rst
ixpk= 3571, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU HN 104 LEU MDX 5.50 (# 3572:20 Unique 3.16, 5.08 A)
&rst
ixpk= 3572, nxpk= 20, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 105 VAL HN 104 LEU MDX 4.50 (# 3573:20 Unique 2.20, 4.99 A)
&rst
ixpk= 3573, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 126 TRP HE1 104 LEU MDY 5.50 (# 3574:20 Unique 3.80, 5.99 A)
&rst
ixpk= 3574, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 105 VAL HN 104 LEU MDY 5.50 (# 3575:20 Unique 2.20, 4.99 A)
&rst
ixpk= 3575, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU HN 104 LEU MDY 5.50 (# 3576:20 Unique 3.16, 5.08 A)
&rst
ixpk= 3576, nxpk= 20, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 108 ASP HN 104 LEU MDY 5.50 (# 3577:20 Unique 2.03, 4.65 A)
&rst
ixpk= 3577, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 17 ASN HN 104 LEU MDY 5.50 (# 3578:20 Unique 2.87, 6.30 A)
&rst
ixpk= 3578, nxpk= 20, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 126 TRP HZ2 104 LEU MDY 4.50 (# 3579:20 Unique 2.19, 4.91 A)
&rst
ixpk= 3579, nxpk= 20, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 106 SER HN 104 LEU MDY 5.50 (# 3580:20 Unique 1.83, 4.23 A)
&rst
ixpk= 3580, nxpk= 20, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 126 TRP HH2 104 LEU MDY 5.50 (# 3581:20 Unique 2.42, 5.71 A)
&rst
ixpk= 3581, nxpk= 20, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 17 ASN HD2+ 104 LEU MDY 5.50 (# 3582:20 Unique 1.93, 5.31 A)
&rst
ixpk= 3582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 253, 254,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 17 ASN HA 104 LEU MDY 5.50 (# 3583:20 Unique 1.98, 4.46 A)
&rst
ixpk= 3583, nxpk= 20, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 103 GLN HA 0 AMB 20-1:3584 5.50 (# 3584:20 Single Ambig)
&rst
ixpk= 3584, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2=1667,1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU HA 104 LEU MDY 5.50 (# 3585:20 Unique 1.96, 3.90 A)
&rst
ixpk= 3585, nxpk= 20, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 108 ASP HA 104 LEU MDY 5.50 (# 3586:20 Unique 3.10, 5.61 A)
&rst
ixpk= 3586, nxpk= 20, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 20-2:3587 104 LEU MDY 5.50 (# 3587:20 Single Ambig)
&rst
ixpk= 3587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 248, 249,1772,1773,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU HB+ 104 LEU MDY 4.50 (# 3588:20 Unique 1.98, 3.28 A)
&rst
ixpk= 3588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1719,1720,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU HG 104 LEU MDY 4.50 (# 3589:20 Unique 2.21, 2.63 A)
&rst
ixpk= 3589, nxpk= 20, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 104 LEU HB- 104 LEU MDY 5.50 (# 3590:20 Unique 1.98, 3.28 A)
&rst
ixpk= 3590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1719,1720,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 20-2:3591 104 LEU MDY 4.50 (# 3591:20 Single Ambig)
&rst
ixpk= 3591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 111 ILE QD1 104 LEU MDY 5.50 (# 3592:20 Unique 1.99, 4.56 A)
&rst
ixpk= 3592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1818,1819,1820,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 105 VAL MGX 105 VAL HA 4.50 (# 3593:20 Unique 2.18, 3.17 A)
&rst
ixpk= 3593, nxpk= 20, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1740,1741,1742,1744,1745,1746,
&end
#
# 105 VAL MGY 105 VAL HA 3.50 (# 3594:20 Unique 2.18, 3.17 A)
&rst
ixpk= 3594, nxpk= 20, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1740,1741,1742,1744,1745,1746,
&end
#
# 105 VAL HB 105 VAL HA 3.50 (# 3596:20 Unique 2.39, 2.92 A)
&rst
ixpk= 3596, nxpk= 20, iat=1738,1736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:3597 105 VAL HA 5.50 (# 3597:20 Single Ambig)
&rst
ixpk= 3597, nxpk= 20, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 268, 269, 268, 269,
&end
#
# 106 SER HN 105 VAL HA 5.50 (# 3598:20 Unique 2.76, 3.33 A)
&rst
ixpk= 3598, nxpk= 20, iat=1750,1736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 VAL HN 105 VAL HA 5.50 (# 3599:20 Unique 2.86, 2.91 A)
&rst
ixpk= 3599, nxpk= 20, iat=1734,1736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 VAL HN 105 VAL HB 5.50 (# 3600:20 Unique 2.56, 2.83 A)
&rst
ixpk= 3600, nxpk= 20, iat=1734,1738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LYS HN 149 LYS HB+ 3.50 (# 3601:20 Unique 2.14, 2.55 A)
&rst
ixpk= 3601, nxpk= 20, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2469,2470,
&end
#
# 106 SER HN 105 VAL HB 5.50 (# 3602:20 Unique 2.69, 3.45 A)
&rst
ixpk= 3602, nxpk= 20, iat=1750,1738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 GLU HN 149 LYS HB+ 5.50 (# 3603:20 Unique 2.81, 3.65 A)
&rst
ixpk= 3603, nxpk= 20, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2469,2470,
&end
#
# 77 TYR HD 143 VAL HB 5.50 (# 3604:20 Unique 2.54, 5.59 A)
&rst
ixpk= 3604, nxpk= 20, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1226,1235,
&end
#
# 106 SER HA 105 VAL HB 5.50 (# 3605:20 Unique 4.10, 4.52 A)
&rst
ixpk= 3605, nxpk= 20, iat=1752,1738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3606 0 AMB 20-1:3606 3.50 (# 3606:20 Double Ambig)
&rst
ixpk= 3606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2467,1736,
igr2=2469,2470,1738,
&end
#
# 146 ARG HA 149 LYS HB+ 5.50 (# 3607:20 Unique 2.24, 3.59 A)
&rst
ixpk= 3607, nxpk= 20, iat=2410, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2469,2470,
&end
#
# 0 AMB 20-2:3608 0 AMB 20-1:3608 5.50 (# 3608:20 Double Ambig)
&rst
ixpk= 3608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=2291,1754,1755, 740,2489,
igr2=2351,1738, 674, 675,2469,2470,
&end
#
# 0 AMB 20-2:3609 0 AMB 20-1:3609 5.50 (# 3609:20 Double Ambig)
&rst
ixpk= 3609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
igr1= 268, 269, 268, 269,1026,1027,1026,1027,2418,2419,
2418,2419,
igr2=1738,2469,2470,2469,2470,
&end
#
# 0 AMB 20-2:3610 0 AMB 20-1:3610 5.50 (# 3610:20 Double Ambig)
&rst
ixpk= 3610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2478,2479,2478,2479,
igr2=2469,2470,2469,2470,
&end
#
# 0 AMB 20-2:3611 0 AMB 20-1:3611 3.50 (# 3611:20 Double Ambig)
&rst
ixpk= 3611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2475,2476,2472,2473,
igr2=2469,2470,2469,2470,
&end
#
# 149 LYS HG- 149 LYS HB+ 4.50 (# 3612:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2472,2473,
igr2=2469,2470,
&end
#
# 105 VAL MGX 105 VAL HB 3.50 (# 3613:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3613, nxpk= 20, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1740,1741,1742,1744,1745,1746,
&end
#
# 105 VAL MGY 105 VAL HB 2.80 (# 3614:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3614, nxpk= 20, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1740,1741,1742,1744,1745,1746,
&end
#
# 115 THR HN 115 THR MG2 4.50 (# 3616:20 Unique 1.97, 3.31 A)
&rst
ixpk= 3616, nxpk= 20, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1878,1879,1880,
&end
#
# 0 AMB 20-2:3617 0 AMB 20-1:3617 4.50 (# 3617:20 Double Ambig)
&rst
ixpk= 3617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 849, 853,1750,
igr2=1878,1879,1880,1006,1007,1008,1010,1011,1012,
&end
#
# 112 ASN HD2+ 115 THR MG2 4.50 (# 3618:20 Unique 2.07, 5.29 A)
&rst
ixpk= 3618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1833,1834,
igr2=1878,1879,1880,
&end
#
# 112 ASN HD2- 115 THR MG2 5.50 (# 3619:20 Unique 2.07, 5.29 A)
&rst
ixpk= 3619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1833,1834,
igr2=1878,1879,1880,
&end
#
# 107 GLY HN 106 SER HA 5.50 (# 3620:20 Unique 2.19, 3.42 A)
&rst
ixpk= 3620, nxpk= 20, iat=1761,1752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 SER HN 106 SER HA 5.50 (# 3621:20 Unique 2.79, 2.92 A)
&rst
ixpk= 3621, nxpk= 20, iat=1750,1752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 SER HB- 106 SER HA 5.50 (# 3622:20 Unique 2.24, 2.74 A)
&rst
ixpk= 3622, nxpk= 20, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1754,1755,
&end
#
# 106 SER HB+ 106 SER HA 4.50 (# 3623:20 Unique 2.24, 2.74 A)
&rst
ixpk= 3623, nxpk= 20, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1754,1755,
&end
#
# 0 AMB 20-2:3624 0 AMB 20-1:3624 5.50 (# 3624:20 Double Ambig)
&rst
ixpk= 3624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1754,1755,1754,1755,
&end
#
# 0 AMB 20-2:3625 106 SER HB- 5.50 (# 3625:20 Single Ambig)
&rst
ixpk= 3625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1754,1755,
&end
#
# 105 VAL MGX 106 SER HB- 5.50 (# 3626:20 Unique 3.22, 6.85 A)
&rst
ixpk= 3626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1740,1741,1742,1744,1745,1746,
igr2=1754,1755,
&end
#
# 105 VAL MGX 106 SER HB+ 5.50 (# 3627:20 Unique 3.22, 6.85 A)
&rst
ixpk= 3627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1740,1741,1742,1744,1745,1746,
igr2=1754,1755,
&end
#
# 105 VAL MGY 106 SER HB+ 5.50 (# 3628:20 Unique 3.22, 6.85 A)
&rst
ixpk= 3628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1740,1741,1742,1744,1745,1746,
igr2=1754,1755,
&end
#
# 104 LEU MDX 106 SER HB+ 5.50 (# 3629:20 Unique 2.64, 5.52 A)
&rst
ixpk= 3629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1754,1755,
&end
#
# 104 LEU MDX 106 SER HB- 5.50 (# 3630:20 Unique 2.64, 5.52 A)
&rst
ixpk= 3630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1754,1755,
&end
#
# 109 ALA MB 106 SER HB+ 5.50 (# 3631:20 Unique 2.70, 7.16 A)
&rst
ixpk= 3631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1784,1785,1786,
igr2=1754,1755,
&end
#
# 110 GLU HB- 106 SER HB+ 5.50 (# 3632:20 Unique 1.98, 3.55 A)
&rst
ixpk= 3632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1794,1795,
igr2=1754,1755,
&end
#
# 110 GLU HB- 106 SER HB- 5.50 (# 3633:20 Unique 1.98, 3.55 A)
&rst
ixpk= 3633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1794,1795,
igr2=1754,1755,
&end
#
# 110 GLU HB+ 106 SER HB+ 5.50 (# 3634:20 Unique 1.98, 3.55 A)
&rst
ixpk= 3634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1794,1795,
igr2=1754,1755,
&end
#
# 110 GLU HB+ 106 SER HB- 5.50 (# 3635:20 Unique 1.98, 3.55 A)
&rst
ixpk= 3635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1794,1795,
igr2=1754,1755,
&end
#
# 110 GLU HG- 106 SER HB+ 5.50 (# 3636:20 Unique 2.00, 4.10 A)
&rst
ixpk= 3636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1797,1798,
igr2=1754,1755,
&end
#
# 110 GLU HG+ 106 SER HB- 5.50 (# 3637:20 Unique 2.00, 4.10 A)
&rst
ixpk= 3637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1797,1798,
igr2=1754,1755,
&end
#
# 110 GLU HG- 106 SER HB- 5.50 (# 3638:20 Unique 2.00, 4.10 A)
&rst
ixpk= 3638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1797,1798,
igr2=1754,1755,
&end
#
# 110 GLU HG+ 106 SER HB+ 5.50 (# 3639:20 Unique 2.00, 4.10 A)
&rst
ixpk= 3639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1797,1798,
igr2=1754,1755,
&end
#
# 0 AMB 20-2:3640 0 AMB 20-1:3640 5.50 (# 3640:20 Double Ambig)
&rst
ixpk= 3640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 992, 993, 992, 993,
igr2=1754,1755,1754,1755,
&end
#
# 0 AMB 20-2:3641 106 SER HB- 5.50 (# 3641:20 Single Ambig)
&rst
ixpk= 3641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 992, 993, 992, 993,
igr2=1754,1755,
&end
#
# 107 GLY HA+ 106 SER HB+ 5.50 (# 3642:20 Unique 4.05, 4.82 A)
&rst
ixpk= 3642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1763,1764,
igr2=1754,1755,
&end
#
# 107 GLY HA+ 106 SER HB- 5.50 (# 3643:20 Unique 4.05, 4.82 A)
&rst
ixpk= 3643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1763,1764,
igr2=1754,1755,
&end
#
# 106 SER HA 106 SER HB+ 3.50 (# 3644:20 Unique 2.24, 2.74 A)
&rst
ixpk= 3644, nxpk= 20, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1754,1755,
&end
#
# 106 SER HA 106 SER HB- 4.50 (# 3645:20 Unique 2.24, 2.74 A)
&rst
ixpk= 3645, nxpk= 20, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1754,1755,
&end
#
# 106 SER HN 106 SER HB+ 5.50 (# 3646:20 Unique 2.13, 3.09 A)
&rst
ixpk= 3646, nxpk= 20, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1754,1755,
&end
#
# 106 SER HN 106 SER HB- 5.50 (# 3647:20 Unique 2.13, 3.09 A)
&rst
ixpk= 3647, nxpk= 20, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1754,1755,
&end
#
# 107 GLY HN 106 SER HB+ 4.50 (# 3648:20 Unique 1.95, 2.66 A)
&rst
ixpk= 3648, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1754,1755,
&end
#
# 107 GLY HN 106 SER HB- 4.50 (# 3649:20 Unique 1.95, 2.66 A)
&rst
ixpk= 3649, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1754,1755,
&end
#
# 105 VAL HN 106 SER HB+ 5.50 (# 3650:20 Unique 3.67, 5.02 A)
&rst
ixpk= 3650, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1754,1755,
&end
#
# 105 VAL HN 106 SER HB- 5.50 (# 3651:20 Unique 3.67, 5.02 A)
&rst
ixpk= 3651, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1754,1755,
&end
#
# 104 LEU MDY 107 GLY HA- 5.50 (# 3652:20 Unique 1.98, 3.94 A)
&rst
ixpk= 3652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1763,1764,
&end
#
# 0 AMB 20-2:3653 107 GLY HA- 5.50 (# 3653:20 Single Ambig)
&rst
ixpk= 3653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1784,1785,1786, 248, 249, 919,
igr2=1763,1764,
&end
#
# 0 AMB 20-2:3654 107 GLY HA- 5.50 (# 3654:20 Single Ambig)
&rst
ixpk= 3654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 248, 249,1772,1773,1772,1773,
igr2=1763,1764,
&end
#
# 106 SER HA 107 GLY HA- 5.50 (# 3655:20 Unique 4.34, 4.81 A)
&rst
ixpk= 3655, nxpk= 20, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1763,1764,
&end
#
# 110 GLU HN 107 GLY HA- 5.50 (# 3656:20 Unique 3.01, 4.19 A)
&rst
ixpk= 3656, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1763,1764,
&end
#
# 110 GLU HN 107 GLY HA+ 5.50 (# 3657:20 Unique 3.01, 4.19 A)
&rst
ixpk= 3657, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1763,1764,
&end
#
# 108 ASP HN 107 GLY HA+ 4.50 (# 3658:20 Unique 2.14, 2.62 A)
&rst
ixpk= 3658, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1763,1764,
&end
#
# 108 ASP HN 107 GLY HA- 3.50 (# 3659:20 Unique 2.14, 2.62 A)
&rst
ixpk= 3659, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1763,1764,
&end
#
# 107 GLY HN 107 GLY HA- 4.50 (# 3660:20 Unique 2.30, 2.73 A)
&rst
ixpk= 3660, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1763,1764,
&end
#
# 107 GLY HN 107 GLY HA+ 3.50 (# 3661:20 Unique 2.30, 2.73 A)
&rst
ixpk= 3661, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1763,1764,
&end
#
# 111 ILE QD1 108 ASP HA 4.50 (# 3662:20 Unique 1.95, 3.19 A)
&rst
ixpk= 3662, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1818,1819,1820,
&end
#
# 111 ILE QG2 0 AMB 20-1:3663 5.50 (# 3663:20 Single Ambig)
&rst
ixpk= 3663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1811,1812,1813,
igr2=1770,1840,
&end
#
# 111 ILE HG1+ 108 ASP HA 5.50 (# 3664:20 Unique 2.03, 3.46 A)
&rst
ixpk= 3664, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,
&end
#
# 0 AMB 20-2:3665 0 AMB 20-1:3665 5.50 (# 3665:20 Double Ambig)
&rst
ixpk= 3665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1770,1840,
&end
#
# 0 AMB 20-2:3666 0 AMB 20-1:3666 5.50 (# 3666:20 Double Ambig)
&rst
ixpk= 3666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1878,1879,1880, 895, 896, 897, 899, 900, 901, 895,
896, 897, 899, 900, 901,
igr2=1840,1770,
&end
#
# 104 LEU MDY 108 ASP HA 4.50 (# 3667:20 Unique 3.10, 5.61 A)
&rst
ixpk= 3667, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 111 ILE HG1- 108 ASP HA 5.50 (# 3668:20 Unique 2.03, 3.46 A)
&rst
ixpk= 3668, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,
&end
#
# 0 AMB 20-2:3669 108 ASP HA 5.50 (# 3669:20 Single Ambig)
&rst
ixpk= 3669, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1784,1785,1786, 248, 249,
&end
#
# 0 AMB 20-2:3670 113 MET HA 4.50 (# 3670:20 Single Ambig)
&rst
ixpk= 3670, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1842,1843,1842,1843,
&end
#
# 113 MET HG+ 113 MET HA 3.50 (# 3671:20 Unique 2.05, 3.07 A)
&rst
ixpk= 3671, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1845,1846,
&end
#
# 0 AMB 20-2:3672 108 ASP HA 3.50 (# 3672:20 Single Ambig)
&rst
ixpk= 3672, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1772,1773,1772,1773,
&end
#
# 111 ILE HN 108 ASP HA 5.50 (# 3673:20 Unique 2.87, 3.14 A)
&rst
ixpk= 3673, nxpk= 20, iat=1805,1770, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLU HN 108 ASP HA 5.50 (# 3674:20 Unique 3.79, 4.07 A)
&rst
ixpk= 3674, nxpk= 20, iat=1790,1770, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 TRP HZ2 108 ASP HA 5.50 (# 3675:20 Unique 1.99, 2.87 A)
&rst
ixpk= 3675, nxpk= 20, iat=2051,1770, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ASP HN 108 ASP HA 4.50 (# 3677:20 Unique 2.72, 2.76 A)
&rst
ixpk= 3677, nxpk= 20, iat=1768,1770, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 MET HN 113 MET HA 5.50 (# 3678:20 Unique 2.27, 2.56 A)
&rst
ixpk= 3678, nxpk= 20, iat=1838,1840, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ASP HN 109 ALA HA 5.50 (# 3679:20 Unique 5.21, 5.33 A)
&rst
ixpk= 3679, nxpk= 20, iat=1768,1782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ALA HN 109 ALA HA 4.50 (# 3680:20 Unique 2.76, 2.81 A)
&rst
ixpk= 3680, nxpk= 20, iat=1780,1782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 GLU HN 109 ALA HA 5.50 (# 3681:20 Unique 3.46, 3.51 A)
&rst
ixpk= 3681, nxpk= 20, iat=1790,1782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ILE HN 109 ALA HA 5.50 (# 3682:20 Unique 3.69, 4.36 A)
&rst
ixpk= 3682, nxpk= 20, iat=1805,1782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ALA MB 109 ALA HA 2.80 (# 3683:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3683, nxpk= 20, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1784,1785,1786,
&end
#
# 108 ASP HN 109 ALA MB 5.50 (# 3684:20 Unique 4.60, 5.50 A)
&rst
ixpk= 3684, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1784,1785,1786,
&end
#
# 109 ALA HN 109 ALA MB 2.80 (# 3685:20 Unique 2.07, 2.89 A)
&rst
ixpk= 3685, nxpk= 20, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1784,1785,1786,
&end
#
# 110 GLU HN 109 ALA MB 4.50 (# 3686:20 Unique 2.59, 3.54 A)
&rst
ixpk= 3686, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1784,1785,1786,
&end
#
# 111 ILE HN 109 ALA MB 5.50 (# 3687:20 Unique 4.62, 5.34 A)
&rst
ixpk= 3687, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1784,1785,1786,
&end
#
# 109 ALA HA 109 ALA MB 2.80 (# 3688:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3688, nxpk= 20, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1784,1785,1786,
&end
#
# 110 GLU HA 109 ALA MB 5.50 (# 3689:20 Unique 3.96, 4.94 A)
&rst
ixpk= 3689, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1784,1785,1786,
&end
#
# 0 AMB 20-2:3690 109 ALA MB 5.50 (# 3690:20 Single Ambig)
&rst
ixpk= 3690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1772,1773,1772,1773,
igr2=1784,1785,1786,
&end
#
# 110 GLU HN 110 GLU HA 4.50 (# 3692:20 Unique 2.90, 2.93 A)
&rst
ixpk= 3692, nxpk= 20, iat=1790,1792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 ILE HN 110 GLU HA 4.50 (# 3693:20 Unique 3.12, 3.39 A)
&rst
ixpk= 3693, nxpk= 20, iat=1805,1792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 GLU HG+ 110 GLU HA 5.50 (# 3694:20 Unique 2.06, 3.15 A)
&rst
ixpk= 3694, nxpk= 20, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1797,1798,
&end
#
# 110 GLU HB+ 110 GLU HA 4.50 (# 3695:20 Unique 2.23, 2.73 A)
&rst
ixpk= 3695, nxpk= 20, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1794,1795,
&end
#
# 110 GLU HB- 110 GLU HA 3.50 (# 3696:20 Unique 2.23, 2.73 A)
&rst
ixpk= 3696, nxpk= 20, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1794,1795,
&end
#
# 110 GLU HN 110 GLU HB- 4.50 (# 3697:20 Unique 2.19, 2.97 A)
&rst
ixpk= 3697, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1794,1795,
&end
#
# 110 GLU HN 110 GLU HB+ 5.50 (# 3698:20 Unique 2.19, 2.97 A)
&rst
ixpk= 3698, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1794,1795,
&end
#
# 111 ILE HN 110 GLU HB+ 5.50 (# 3699:20 Unique 2.63, 3.64 A)
&rst
ixpk= 3699, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1794,1795,
&end
#
# 0 AMB 20-2:3700 0 AMB 20-1:3700 5.50 (# 3700:20 Double Ambig)
&rst
ixpk= 3700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1805,1435,
igr2=1794,1795,1379,1380,
&end
#
# 110 GLU HA 110 GLU HB- 5.50 (# 3701:20 Unique 2.23, 2.73 A)
&rst
ixpk= 3701, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1794,1795,
&end
#
# 110 GLU HA 110 GLU HB+ 4.50 (# 3702:20 Unique 2.23, 2.73 A)
&rst
ixpk= 3702, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1794,1795,
&end
#
# 110 GLU HG+ 110 GLU HB+ 4.50 (# 3703:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1797,1798,
igr2=1794,1795,
&end
#
# 110 GLU HG+ 110 GLU HB- 5.50 (# 3704:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1797,1798,
igr2=1794,1795,
&end
#
# 110 GLU HG- 110 GLU HB- 5.50 (# 3705:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1797,1798,
igr2=1794,1795,
&end
#
# 110 GLU HG- 110 GLU HB+ 4.50 (# 3706:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1797,1798,
igr2=1794,1795,
&end
#
# 0 AMB 20-2:3707 0 AMB 20-1:3707 5.50 (# 3707:20 Double Ambig)
&rst
ixpk= 3707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1794,1795,1794,1795,
&end
#
# 0 AMB 20-2:3708 110 GLU HB- 5.50 (# 3708:20 Single Ambig)
&rst
ixpk= 3708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1794,1795,
&end
#
# 0 AMB 20-2:3709 0 AMB 20-1:3709 5.50 (# 3709:20 Double Ambig)
&rst
ixpk= 3709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1797,1798,1797,1798,
&end
#
# 0 AMB 20-2:3710 110 GLU HG- 5.50 (# 3710:20 Single Ambig)
&rst
ixpk= 3710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1797,1798,
&end
#
# 109 ALA MB 110 GLU HG+ 5.50 (# 3711:20 Unique 2.81, 5.30 A)
&rst
ixpk= 3711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1784,1785,1786,
igr2=1797,1798,
&end
#
# 109 ALA MB 110 GLU HG- 5.50 (# 3712:20 Unique 2.81, 5.30 A)
&rst
ixpk= 3712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1784,1785,1786,
igr2=1797,1798,
&end
#
# 110 GLU HB- 110 GLU HG+ 4.50 (# 3713:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1794,1795,
igr2=1797,1798,
&end
#
# 110 GLU HB- 110 GLU HG- 4.50 (# 3714:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1794,1795,
igr2=1797,1798,
&end
#
# 110 GLU HB+ 110 GLU HG+ 4.50 (# 3715:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1794,1795,
igr2=1797,1798,
&end
#
# 110 GLU HB+ 110 GLU HG- 4.50 (# 3716:20 Unique 2.21, 2.65 A)
&rst
ixpk= 3716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1794,1795,
igr2=1797,1798,
&end
#
# 106 SER HB- 110 GLU HG+ 5.50 (# 3717:20 Unique 2.00, 4.10 A)
&rst
ixpk= 3717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1754,1755,
igr2=1797,1798,
&end
#
# 106 SER HB- 110 GLU HG- 5.50 (# 3718:20 Unique 2.00, 4.10 A)
&rst
ixpk= 3718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1754,1755,
igr2=1797,1798,
&end
#
# 110 GLU HA 110 GLU HG+ 4.50 (# 3719:20 Unique 2.06, 3.15 A)
&rst
ixpk= 3719, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1797,1798,
&end
#
# 110 GLU HA 110 GLU HG- 5.50 (# 3720:20 Unique 2.06, 3.15 A)
&rst
ixpk= 3720, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1797,1798,
&end
#
# 106 SER HA 110 GLU HG- 5.50 (# 3721:20 Unique 2.80, 4.77 A)
&rst
ixpk= 3721, nxpk= 20, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1797,1798,
&end
#
# 106 SER HA 110 GLU HG+ 5.50 (# 3722:20 Unique 2.80, 4.77 A)
&rst
ixpk= 3722, nxpk= 20, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1797,1798,
&end
#
# 111 ILE HN 110 GLU HG+ 5.50 (# 3723:20 Unique 2.36, 4.67 A)
&rst
ixpk= 3723, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1797,1798,
&end
#
# 111 ILE HN 110 GLU HG- 5.50 (# 3724:20 Unique 2.36, 4.67 A)
&rst
ixpk= 3724, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1797,1798,
&end
#
# 110 GLU HN 110 GLU HG+ 5.50 (# 3725:20 Unique 2.31, 3.52 A)
&rst
ixpk= 3725, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1797,1798,
&end
#
# 110 GLU HN 110 GLU HG- 5.50 (# 3726:20 Unique 2.31, 3.52 A)
&rst
ixpk= 3726, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1797,1798,
&end
#
# 107 GLY HN 110 GLU HG+ 5.50 (# 3727:20 Unique 3.50, 5.24 A)
&rst
ixpk= 3727, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1797,1798,
&end
#
# 107 GLY HN 110 GLU HG- 5.50 (# 3728:20 Unique 3.50, 5.24 A)
&rst
ixpk= 3728, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1797,1798,
&end
#
# 111 ILE QD1 111 ILE HA 5.50 (# 3729:20 Unique 1.95, 3.88 A)
&rst
ixpk= 3729, nxpk= 20, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1818,1819,1820,
&end
#
# 111 ILE QG2 111 ILE HA 5.50 (# 3730:20 Unique 2.34, 3.42 A)
&rst
ixpk= 3730, nxpk= 20, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1811,1812,1813,
&end
#
# 111 ILE HG1+ 111 ILE HA 5.50 (# 3731:20 Unique 1.95, 2.78 A)
&rst
ixpk= 3731, nxpk= 20, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,
&end
#
# 104 LEU MDX 111 ILE HA 5.50 (# 3733:20 Unique 4.58, 6.82 A)
&rst
ixpk= 3733, nxpk= 20, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 111 ILE HG1- 111 ILE HA 5.50 (# 3734:20 Unique 1.95, 2.78 A)
&rst
ixpk= 3734, nxpk= 20, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,
&end
#
# 0 AMB 20-2:3735 0 AMB 20-1:3735 4.50 (# 3735:20 Double Ambig)
&rst
ixpk= 3735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1809,1382,1383,
igr2=1807,1361,
&end
#
# 0 AMB 20-2:3737 0 AMB 20-1:3737 5.50 (# 3737:20 Double Ambig)
&rst
ixpk= 3737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1770,1514,1840,
igr2=1807,1361,
&end
#
# 0 AMB 20-2:3738 0 AMB 20-1:3738 5.50 (# 3738:20 Double Ambig)
&rst
ixpk= 3738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1805,1550,1551,
igr2=1807,1361,
&end
#
# 83 LEU HN 84 VAL HA 5.50 (# 3739:20 Unique 4.39, 4.66 A)
&rst
ixpk= 3739, nxpk= 20, iat=1340,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3740 0 AMB 20-1:3740 5.50 (# 3740:20 Double Ambig)
&rst
ixpk= 3740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1790,1531,
igr2=1807,1361,
&end
#
# 112 ASN HN 111 ILE HB 5.50 (# 3741:20 Unique 4.02, 4.31 A)
&rst
ixpk= 3741, nxpk= 20, iat=1824,1809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLU HN 111 ILE HB 5.50 (# 3742:20 Unique 3.90, 4.19 A)
&rst
ixpk= 3742, nxpk= 20, iat=1790,1809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ILE HN 111 ILE HB 4.50 (# 3744:20 Unique 2.11, 2.33 A)
&rst
ixpk= 3744, nxpk= 20, iat=1805,1809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 ASP HA 111 ILE HB 5.50 (# 3745:20 Unique 1.88, 2.11 A)
&rst
ixpk= 3745, nxpk= 20, iat=1770,1809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ILE HA 111 ILE HB 5.50 (# 3746:20 Unique 2.74, 2.93 A)
&rst
ixpk= 3746, nxpk= 20, iat=1807,1809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ILE HG1- 111 ILE HB 5.50 (# 3747:20 Unique 2.38, 2.74 A)
&rst
ixpk= 3747, nxpk= 20, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,
&end
#
# 0 AMB 20-2:3748 111 ILE HB 5.50 (# 3748:20 Single Ambig)
&rst
ixpk= 3748, nxpk= 20, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 111 ILE HG1+ 111 ILE HB 5.50 (# 3749:20 Unique 2.38, 2.74 A)
&rst
ixpk= 3749, nxpk= 20, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,
&end
#
# 111 ILE QG2 111 ILE HB 4.50 (# 3750:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3750, nxpk= 20, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1811,1812,1813,
&end
#
# 111 ILE QD1 111 ILE HB 4.50 (# 3751:20 Unique 2.05, 3.16 A)
&rst
ixpk= 3751, nxpk= 20, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1818,1819,1820,
&end
#
# 111 ILE QD1 111 ILE HG1+ 5.50 (# 3752:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1818,1819,1820,
igr2=1815,1816,
&end
#
# 111 ILE QG2 111 ILE HG1+ 5.50 (# 3753:20 Unique 2.31, 3.35 A)
&rst
ixpk= 3753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1811,1812,1813,
igr2=1815,1816,
&end
#
# 0 AMB 20-2:3754 0 AMB 20-1:3754 5.50 (# 3754:20 Double Ambig)
&rst
ixpk= 3754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1815,1816,1815,1816,
&end
#
# 0 AMB 20-2:3755 0 AMB 20-1:3755 5.50 (# 3755:20 Double Ambig)
&rst
ixpk= 3755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
igr2=1815,1816,1815,1816,
&end
#
# 104 LEU MDX 111 ILE HG1+ 5.50 (# 3756:20 Unique 2.46, 5.46 A)
&rst
ixpk= 3756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1815,1816,
&end
#
# 111 ILE HB 111 ILE HG1+ 5.50 (# 3758:20 Unique 2.38, 2.74 A)
&rst
ixpk= 3758, nxpk= 20, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1815,1816,
&end
#
# 111 ILE HA 111 ILE HG1+ 5.50 (# 3759:20 Unique 1.95, 2.78 A)
&rst
ixpk= 3759, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1815,1816,
&end
#
# 108 ASP HA 111 ILE HG1+ 5.50 (# 3760:20 Unique 2.03, 3.46 A)
&rst
ixpk= 3760, nxpk= 20, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1815,1816,
&end
#
# 111 ILE HN 111 ILE HG1+ 5.50 (# 3761:20 Unique 1.88, 3.51 A)
&rst
ixpk= 3761, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1815,1816,
&end
#
# 112 ASN HN 111 ILE HG1+ 5.50 (# 3762:20 Unique 2.55, 4.16 A)
&rst
ixpk= 3762, nxpk= 20, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1815,1816,
&end
#
# 111 ILE QG2 111 ILE QD1 3.50 (# 3763:20 Unique 2.00, 4.04 A)
&rst
ixpk= 3763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1811,1812,1813,
igr2=1818,1819,1820,
&end
#
# 111 ILE HG1+ 111 ILE QD1 4.50 (# 3764:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1815,1816,
igr2=1818,1819,1820,
&end
#
# 0 AMB 20-2:3765 111 ILE QD1 4.50 (# 3765:20 Single Ambig)
&rst
ixpk= 3765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1818,1819,1820,
&end
#
# 0 AMB 20-2:3766 111 ILE QD1 5.50 (# 3766:20 Single Ambig)
&rst
ixpk= 3766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
igr2=1818,1819,1820,
&end
#
# 104 LEU MDX 111 ILE QD1 5.50 (# 3767:20 Unique 1.99, 4.56 A)
&rst
ixpk= 3767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1818,1819,1820,
&end
#
# 104 LEU MDY 111 ILE QD1 4.50 (# 3768:20 Unique 1.99, 4.56 A)
&rst
ixpk= 3768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1818,1819,1820,
&end
#
# 111 ILE HG1- 111 ILE QD1 3.50 (# 3769:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1815,1816,
igr2=1818,1819,1820,
&end
#
# 111 ILE HB 111 ILE QD1 4.50 (# 3770:20 Unique 2.05, 3.16 A)
&rst
ixpk= 3770, nxpk= 20, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1818,1819,1820,
&end
#
# 0 AMB 20-2:3771 111 ILE QD1 5.50 (# 3771:20 Single Ambig)
&rst
ixpk= 3771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1849,1850,1851,1794,1795,
igr2=1818,1819,1820,
&end
#
# 58 VAL HB 111 ILE QD1 5.50 (# 3772:20 Unique 1.96, 4.28 A)
&rst
ixpk= 3772, nxpk= 20, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1818,1819,1820,
&end
#
# 0 AMB 20-2:3773 111 ILE QD1 5.50 (# 3773:20 Single Ambig)
&rst
ixpk= 3773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1772,1773,1772,1773,
igr2=1818,1819,1820,
&end
#
# 111 ILE HA 111 ILE QD1 5.50 (# 3774:20 Unique 1.95, 3.88 A)
&rst
ixpk= 3774, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1818,1819,1820,
&end
#
# 108 ASP HA 111 ILE QD1 4.50 (# 3775:20 Unique 1.95, 3.19 A)
&rst
ixpk= 3775, nxpk= 20, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1818,1819,1820,
&end
#
# 107 GLY HA+ 111 ILE QD1 5.50 (# 3776:20 Unique 1.96, 5.27 A)
&rst
ixpk= 3776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1763,1764,
igr2=1818,1819,1820,
&end
#
# 126 TRP HH2 111 ILE QD1 5.50 (# 3778:20 Unique 1.99, 2.88 A)
&rst
ixpk= 3778, nxpk= 20, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1818,1819,1820,
&end
#
# 111 ILE HN 111 ILE QD1 5.50 (# 3779:20 Unique 2.24, 4.18 A)
&rst
ixpk= 3779, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1818,1819,1820,
&end
#
# 126 TRP HZ2 111 ILE QD1 5.50 (# 3781:20 Unique 1.98, 3.19 A)
&rst
ixpk= 3781, nxpk= 20, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1818,1819,1820,
&end
#
# 110 GLU HN 111 ILE QD1 5.50 (# 3782:20 Unique 3.64, 5.61 A)
&rst
ixpk= 3782, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1818,1819,1820,
&end
#
# 112 ASN HN 111 ILE QD1 5.50 (# 3783:20 Unique 3.72, 5.47 A)
&rst
ixpk= 3783, nxpk= 20, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1818,1819,1820,
&end
#
# 109 ALA HN 111 ILE QD1 5.50 (# 3784:20 Unique 4.39, 5.94 A)
&rst
ixpk= 3784, nxpk= 20, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1818,1819,1820,
&end
#
# 108 ASP HN 111 ILE QD1 5.50 (# 3785:20 Unique 3.12, 4.60 A)
&rst
ixpk= 3785, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1818,1819,1820,
&end
#
# 126 TRP HE1 111 ILE QD1 5.50 (# 3787:20 Unique 4.34, 5.72 A)
&rst
ixpk= 3787, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1818,1819,1820,
&end
#
# 113 MET HN 111 ILE QG2 5.50 (# 3789:20 Unique 1.94, 4.06 A)
&rst
ixpk= 3789, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1811,1812,1813,
&end
#
# 112 ASN HN 111 ILE QG2 4.50 (# 3790:20 Unique 2.13, 3.68 A)
&rst
ixpk= 3790, nxpk= 20, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1811,1812,1813,
&end
#
# 110 GLU HN 111 ILE QG2 5.50 (# 3791:20 Unique 5.17, 6.38 A)
&rst
ixpk= 3791, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1811,1812,1813,
&end
#
# 0 AMB 20-2:3792 111 ILE QG2 5.50 (# 3792:20 Single Ambig)
&rst
ixpk= 3792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2051,1867,1868, 905,
igr2=1811,1812,1813,
&end
#
# 111 ILE HN 111 ILE QG2 5.50 (# 3794:20 Unique 3.12, 4.31 A)
&rst
ixpk= 3794, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1811,1812,1813,
&end
#
# 126 TRP HH2 111 ILE QG2 5.50 (# 3795:20 Unique 1.98, 4.25 A)
&rst
ixpk= 3795, nxpk= 20, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1811,1812,1813,
&end
#
# 58 VAL HA 111 ILE QG2 5.50 (# 3797:20 Unique 2.19, 4.28 A)
&rst
ixpk= 3797, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1811,1812,1813,
&end
#
# 0 AMB 20-2:3798 111 ILE QG2 5.50 (# 3798:20 Single Ambig)
&rst
ixpk= 3798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1770,1840,
igr2=1811,1812,1813,
&end
#
# 59 GLY HA+ 111 ILE QG2 5.50 (# 3799:20 Unique 4.45, 7.32 A)
&rst
ixpk= 3799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 907, 908,
igr2=1811,1812,1813,
&end
#
# 111 ILE HA 111 ILE QG2 4.50 (# 3800:20 Unique 2.34, 3.42 A)
&rst
ixpk= 3800, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1811,1812,1813,
&end
#
# 0 AMB 20-2:3801 111 ILE QG2 5.50 (# 3801:20 Single Ambig)
&rst
ixpk= 3801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1772,1773,1772,1773,
igr2=1811,1812,1813,
&end
#
# 112 ASN HB- 111 ILE QG2 5.50 (# 3802:20 Unique 4.66, 6.09 A)
&rst
ixpk= 3802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1828,1829,
igr2=1811,1812,1813,
&end
#
# 113 MET HG+ 111 ILE QG2 4.50 (# 3803:20 Unique 1.97, 3.41 A)
&rst
ixpk= 3803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1845,1846,
igr2=1811,1812,1813,
&end
#
# 58 VAL HB 111 ILE QG2 5.50 (# 3804:20 Unique 2.06, 4.70 A)
&rst
ixpk= 3804, nxpk= 20, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1811,1812,1813,
&end
#
# 0 AMB 20-2:3805 111 ILE QG2 4.50 (# 3805:20 Single Ambig)
&rst
ixpk= 3805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1849,1850,1851,1842,1843,
igr2=1811,1812,1813,
&end
#
# 111 ILE HB 111 ILE QG2 3.50 (# 3806:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3806, nxpk= 20, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1811,1812,1813,
&end
#
# 111 ILE HG1- 111 ILE QG2 4.50 (# 3808:20 Unique 2.31, 3.35 A)
&rst
ixpk= 3808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1815,1816,
igr2=1811,1812,1813,
&end
#
# 104 LEU MDY 111 ILE QG2 5.50 (# 3809:20 Unique 5.20, 7.91 A)
&rst
ixpk= 3809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1811,1812,1813,
&end
#
# 104 LEU MDX 111 ILE QG2 5.50 (# 3810:20 Unique 5.20, 7.91 A)
&rst
ixpk= 3810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1811,1812,1813,
&end
#
# 0 AMB 20-2:3811 111 ILE QG2 3.50 (# 3811:20 Single Ambig)
&rst
ixpk= 3811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
igr2=1811,1812,1813,
&end
#
# 0 AMB 20-2:3812 111 ILE QG2 5.50 (# 3812:20 Single Ambig)
&rst
ixpk= 3812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
igr2=1811,1812,1813,
&end
#
# 111 ILE HG1+ 111 ILE QG2 4.50 (# 3813:20 Unique 2.31, 3.35 A)
&rst
ixpk= 3813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1815,1816,
igr2=1811,1812,1813,
&end
#
# 113 MET HN 112 ASN HB- 5.50 (# 3814:20 Unique 2.27, 3.60 A)
&rst
ixpk= 3814, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1828,1829,
&end
#
# 113 MET HN 112 ASN HB+ 5.50 (# 3815:20 Unique 2.27, 3.60 A)
&rst
ixpk= 3815, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1828,1829,
&end
#
# 59 GLY HN 112 ASN HB+ 5.50 (# 3816:20 Unique 4.38, 5.54 A)
&rst
ixpk= 3816, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1828,1829,
&end
#
# 112 ASN HD2- 112 ASN HB- 5.50 (# 3817:20 Unique 2.11, 3.16 A)
&rst
ixpk= 3817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1833,1834,
igr2=1828,1829,
&end
#
# 59 GLY HA+ 112 ASN HB- 5.50 (# 3819:20 Unique 1.98, 3.90 A)
&rst
ixpk= 3819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 907, 908,
igr2=1828,1829,
&end
#
# 0 AMB 20-2:3821 0 AMB 20-1:3821 5.50 (# 3821:20 Double Ambig)
&rst
ixpk= 3821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1855,1824,
igr2=1828,1829,1828,1829,
&end
#
# 0 AMB 20-2:3822 112 ASN HB- 5.50 (# 3822:20 Single Ambig)
&rst
ixpk= 3822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1855,1824,
igr2=1828,1829,
&end
#
# 112 ASN HD2+ 112 ASN HB- 5.50 (# 3823:20 Unique 2.11, 3.16 A)
&rst
ixpk= 3823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1833,1834,
igr2=1828,1829,
&end
#
# 112 ASN HD2- 112 ASN HB+ 5.50 (# 3824:20 Unique 2.11, 3.16 A)
&rst
ixpk= 3824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1833,1834,
igr2=1828,1829,
&end
#
# 59 GLY HA+ 112 ASN HB+ 5.50 (# 3826:20 Unique 1.98, 3.90 A)
&rst
ixpk= 3826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 907, 908,
igr2=1828,1829,
&end
#
# 115 THR MG2 112 ASN HB+ 5.50 (# 3827:20 Unique 1.99, 4.38 A)
&rst
ixpk= 3827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1878,1879,1880,
igr2=1828,1829,
&end
#
# 115 THR MG2 112 ASN HB- 5.50 (# 3828:20 Unique 1.99, 4.38 A)
&rst
ixpk= 3828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1878,1879,1880,
igr2=1828,1829,
&end
#
# 113 MET HG- 113 MET HA 4.50 (# 3829:20 Unique 2.05, 3.07 A)
&rst
ixpk= 3829, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1845,1846,
&end
#
# 126 TRP HH2 108 ASP HA 5.50 (# 3830:20 Unique 3.28, 4.05 A)
&rst
ixpk= 3830, nxpk= 20, iat=2053,1770, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3831 113 MET HA 5.50 (# 3831:20 Single Ambig)
&rst
ixpk= 3831, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1855,1824,
&end
#
# 109 ALA HN 108 ASP HA 5.50 (# 3832:20 Unique 3.42, 3.47 A)
&rst
ixpk= 3832, nxpk= 20, iat=1780,1770, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 MET HN 0 AMB 20-1:3833 5.50 (# 3833:20 Single Ambig)
&rst
ixpk= 3833, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1842,1843,1842,1843,
&end
#
# 113 MET HN 0 AMB 20-1:3834 5.50 (# 3834:20 Single Ambig)
&rst
ixpk= 3834, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1842,1843,1842,1843,
&end
#
# 113 MET HA 0 AMB 20-1:3835 5.50 (# 3835:20 Single Ambig)
&rst
ixpk= 3835, nxpk= 20, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1842,1843,1842,1843,
&end
#
# 113 MET HA 0 AMB 20-1:3836 5.50 (# 3836:20 Single Ambig)
&rst
ixpk= 3836, nxpk= 20, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1842,1843,1842,1843,
&end
#
# 113 MET HG- 0 AMB 20-1:3837 5.50 (# 3837:20 Single Ambig)
&rst
ixpk= 3837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1845,1846,
igr2=1842,1843,1842,1843,
&end
#
# 113 MET HG- 0 AMB 20-1:3838 5.50 (# 3838:20 Single Ambig)
&rst
ixpk= 3838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1845,1846,
igr2=1842,1843,1842,1843,
&end
#
# 0 AMB 20-2:3839 0 AMB 20-1:3839 5.50 (# 3839:20 Double Ambig)
&rst
ixpk= 3839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1845,1846,1845,1846,
igr2=1842,1843,1842,1843,
&end
#
# 0 AMB 20-2:3840 0 AMB 20-1:3840 5.50 (# 3840:20 Double Ambig)
&rst
ixpk= 3840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1845,1846,1845,1846,
igr2=1842,1843,1842,1843,
&end
#
# 111 ILE QG2 113 MET HG- 5.50 (# 3841:20 Unique 1.97, 3.41 A)
&rst
ixpk= 3841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1811,1812,1813,
igr2=1845,1846,
&end
#
# 111 ILE QG2 113 MET HG+ 5.50 (# 3842:20 Unique 1.97, 3.41 A)
&rst
ixpk= 3842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1811,1812,1813,
igr2=1845,1846,
&end
#
# 0 AMB 20-2:3843 113 MET HG- 5.50 (# 3843:20 Single Ambig)
&rst
ixpk= 3843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
igr2=1845,1846,
&end
#
# 0 AMB 20-2:3844 0 AMB 20-1:3844 5.50 (# 3844:20 Double Ambig)
&rst
ixpk= 3844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
igr2=1845,1846,1845,1846,
&end
#
# 0 AMB 20-2:3845 0 AMB 20-1:3845 4.50 (# 3845:20 Double Ambig)
&rst
ixpk= 3845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1849,1850,1851,1842,1843,1842,1843,
igr2=1845,1846,1845,1846,1845,1846,
&end
#
# 0 AMB 20-2:3846 113 MET HG- 4.50 (# 3846:20 Single Ambig)
&rst
ixpk= 3846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1849,1850,1851,1842,1843,1842,1843,
igr2=1845,1846,
&end
#
# 113 MET HA 113 MET HG+ 5.50 (# 3847:20 Unique 2.05, 3.07 A)
&rst
ixpk= 3847, nxpk= 20, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1845,1846,
&end
#
# 113 MET HA 113 MET HG- 5.50 (# 3848:20 Unique 2.05, 3.07 A)
&rst
ixpk= 3848, nxpk= 20, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1845,1846,
&end
#
# 0 AMB 20-2:3850 0 AMB 20-1:3850 5.50 (# 3850:20 Double Ambig)
&rst
ixpk= 3850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1824,1855,1990,
igr2=1845,1846,1845,1846,1845,1846,
&end
#
# 0 AMB 20-2:3851 113 MET HG- 5.50 (# 3851:20 Single Ambig)
&rst
ixpk= 3851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1824,1855,1990,
igr2=1845,1846,
&end
#
# 113 MET HN 113 MET HG+ 5.50 (# 3852:20 Unique 2.12, 3.03 A)
&rst
ixpk= 3852, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1845,1846,
&end
#
# 113 MET HN 113 MET HG- 5.50 (# 3853:20 Unique 2.12, 3.03 A)
&rst
ixpk= 3853, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1845,1846,
&end
#
# 125 ARG HN 113 MET ME 5.50 (# 3855:20 Unique 3.09, 4.80 A)
&rst
ixpk= 3855, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1849,1850,1851,
&end
#
# 124 TRP HN 113 MET ME 5.50 (# 3857:20 Unique 2.32, 4.18 A)
&rst
ixpk= 3857, nxpk= 20, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1849,1850,1851,
&end
#
# 0 AMB 20-2:3858 113 MET ME 5.50 (# 3858:20 Single Ambig)
&rst
ixpk= 3858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 390, 380,
igr2=1849,1850,1851,
&end
#
# 0 AMB 20-2:3859 113 MET ME 5.50 (# 3859:20 Single Ambig)
&rst
ixpk= 3859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1983,2051,
igr2=1849,1850,1851,
&end
#
# 126 TRP HH2 113 MET ME 4.50 (# 3861:20 Unique 2.09, 3.66 A)
&rst
ixpk= 3861, nxpk= 20, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1849,1850,1851,
&end
#
# 124 TRP HA 113 MET ME 5.50 (# 3862:20 Unique 1.99, 3.80 A)
&rst
ixpk= 3862, nxpk= 20, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1849,1850,1851,
&end
#
# 25 ALA HA 113 MET ME 5.50 (# 3863:20 Unique 2.69, 4.49 A)
&rst
ixpk= 3863, nxpk= 20, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1849,1850,1851,
&end
#
# 58 VAL HA 113 MET ME 4.50 (# 3864:20 Unique 2.55, 4.47 A)
&rst
ixpk= 3864, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1849,1850,1851,
&end
#
# 0 AMB 20-2:3865 113 MET ME 5.50 (# 3865:20 Single Ambig)
&rst
ixpk= 3865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1840,1770,
igr2=1849,1850,1851,
&end
#
# 0 AMB 20-2:3866 113 MET ME 5.50 (# 3866:20 Single Ambig)
&rst
ixpk= 3866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1955,1956,1807,
igr2=1849,1850,1851,
&end
#
# 124 TRP HB- 113 MET ME 5.50 (# 3867:20 Unique 3.09, 5.37 A)
&rst
ixpk= 3867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1994,1995,
igr2=1849,1850,1851,
&end
#
# 124 TRP HB+ 113 MET ME 4.50 (# 3868:20 Unique 3.09, 5.37 A)
&rst
ixpk= 3868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1994,1995,
igr2=1849,1850,1851,
&end
#
# 113 MET HG- 113 MET ME 4.50 (# 3869:20 Unique 2.10, 3.29 A)
&rst
ixpk= 3869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1845,1846,
igr2=1849,1850,1851,
&end
#
# 113 MET HG+ 113 MET ME 3.50 (# 3870:20 Unique 2.10, 3.29 A)
&rst
ixpk= 3870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1845,1846,
igr2=1849,1850,1851,
&end
#
# 111 ILE HB 113 MET ME 5.50 (# 3871:20 Unique 3.96, 5.29 A)
&rst
ixpk= 3871, nxpk= 20, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1849,1850,1851,
&end
#
# 0 AMB 20-2:3872 113 MET ME 4.50 (# 3872:20 Single Ambig)
&rst
ixpk= 3872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 350, 351, 352,1815,1816,
igr2=1849,1850,1851,
&end
#
# 0 AMB 20-2:3873 113 MET ME 2.80 (# 3873:20 Single Ambig)
&rst
ixpk= 3873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
igr2=1849,1850,1851,
&end
#
# 25 ALA MB 113 MET ME 3.50 (# 3874:20 Unique 1.99, 4.30 A)
&rst
ixpk= 3874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 384, 385, 386,
igr2=1849,1850,1851,
&end
#
# 111 ILE QG2 113 MET ME 3.50 (# 3875:20 Unique 1.97, 3.82 A)
&rst
ixpk= 3875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1811,1812,1813,
igr2=1849,1850,1851,
&end
#
# 111 ILE QD1 113 MET ME 5.50 (# 3876:20 Unique 2.49, 5.13 A)
&rst
ixpk= 3876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1818,1819,1820,
igr2=1849,1850,1851,
&end
#
# 114 GLN HB- 114 GLN HA 4.50 (# 3877:20 Unique 2.23, 2.70 A)
&rst
ixpk= 3877, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1859,1860,
&end
#
# 0 AMB 20-2:3878 114 GLN HA 3.50 (# 3878:20 Single Ambig)
&rst
ixpk= 3878, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1862,1863,1862,1863,1859,1860,
&end
#
# 114 GLN HN 114 GLN HA 5.50 (# 3879:20 Unique 2.85, 2.92 A)
&rst
ixpk= 3879, nxpk= 20, iat=1855,1857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 GLN HN 114 GLN HB- 5.50 (# 3880:20 Unique 2.24, 3.21 A)
&rst
ixpk= 3880, nxpk= 20, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1859,1860,
&end
#
# 114 GLN HA 114 GLN HB- 5.50 (# 3881:20 Unique 2.23, 2.70 A)
&rst
ixpk= 3881, nxpk= 20, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1859,1860,
&end
#
# 114 GLN HA 0 AMB 20-1:3882 3.50 (# 3882:20 Single Ambig)
&rst
ixpk= 3882, nxpk= 20, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1862,1863,1862,1863,
&end
#
# 116 SER HN 115 THR HA 5.50 (# 3883:20 Unique 3.42, 3.47 A)
&rst
ixpk= 3883, nxpk= 20, iat=1886,1874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 THR HN 115 THR HA 4.50 (# 3884:20 Unique 2.75, 2.79 A)
&rst
ixpk= 3884, nxpk= 20, iat=1872,1874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3885 0 AMB 20-1:3885 5.50 (# 3885:20 Double Ambig)
&rst
ixpk= 3885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2575,2654,
igr2=2596,2597,2596,2597,
&end
#
# 157 SER HN 0 AMB 20-1:3886 3.50 (# 3886:20 Single Ambig)
&rst
ixpk= 3886, nxpk= 20, iat=2592, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2596,2597,2596,2597,
&end
#
# 158 LEU HN 0 AMB 20-1:3887 4.50 (# 3887:20 Single Ambig)
&rst
ixpk= 3887, nxpk= 20, iat=2603, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2596,2597,2596,2597,
&end
#
# 112 ASN HD2- 115 THR HA 5.50 (# 3888:20 Unique 2.20, 4.28 A)
&rst
ixpk= 3888, nxpk= 20, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1833,1834,
&end
#
# 0 AMB 20-2:3889 115 THR HA 5.50 (# 3889:20 Single Ambig)
&rst
ixpk= 3889, nxpk= 20, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1888,1857,
&end
#
# 117 SER HA 117 SER HB+ 3.50 (# 3890:20 Unique 2.62, 2.81 A)
&rst
ixpk= 3890, nxpk= 20, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1901,1902,
&end
#
# 154 VAL HA 0 AMB 20-1:3891 5.50 (# 3891:20 Single Ambig)
&rst
ixpk= 3891, nxpk= 20, iat=2545, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2596,2597,2596,2597,
&end
#
# 112 ASN HB- 115 THR HA 5.50 (# 3892:20 Unique 2.55, 4.17 A)
&rst
ixpk= 3892, nxpk= 20, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1828,1829,
&end
#
# 0 AMB 20-2:3893 0 AMB 20-1:3893 5.50 (# 3893:20 Double Ambig)
&rst
ixpk= 3893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.56, r4=11.06,
igr1=1862,1863,1862,1863,1859,1860,2646,2647,2646,2647,
igr2=1874,2596,2597,2596,2597,
&end
#
# 0 AMB 20-2:3894 0 AMB 20-1:3894 5.50 (# 3894:20 Double Ambig)
&rst
ixpk= 3894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.17, r4=11.67,
igr1=2579,2580,2579,2580,2579,2580,1929,1930,2626,2627,
igr2=2596,2597,2596,2597,2596,2597,1874,
&end
#
# 0 AMB 20-2:3895 0 AMB 20-1:3895 5.50 (# 3895:20 Double Ambig)
&rst
ixpk= 3895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=2610,2607,2608,2607,2608,
igr2=2596,2597,2596,2597,2596,2597,
&end
#
# 0 AMB 20-2:3896 0 AMB 20-1:3896 5.50 (# 3896:20 Double Ambig)
&rst
ixpk= 3896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2607,2608,2563,
igr2=2596,2597,2596,2597,2596,2597,
&end
#
# 0 AMB 20-2:3897 0 AMB 20-1:3897 3.50 (# 3897:20 Double Ambig)
&rst
ixpk= 3897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1878,1879,1880,2612,2613,2614,2616,2617,2618,
igr2=1874,2596,2597,2596,2597,
&end
#
# 115 THR MG2 115 THR HB 3.50 (# 3898:20 Unique 2.23, 2.64 A)
&rst
ixpk= 3898, nxpk= 20, iat= -1,1876, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1878,1879,1880,
&end
#
# 116 SER HB- 115 THR HB 5.50 (# 3899:20 Unique 3.80, 5.64 A)
&rst
ixpk= 3899, nxpk= 20, iat= -1,1876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1890,1891,
&end
#
# 0 AMB 20-2:3900 0 AMB 20-1:3900 5.50 (# 3900:20 Double Ambig)
&rst
ixpk= 3900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1888,1857, 914,
igr2=1876,1912,
&end
#
# 115 THR HN 115 THR HB 4.50 (# 3903:20 Unique 2.41, 2.85 A)
&rst
ixpk= 3903, nxpk= 20, iat=1872,1876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 SER HN 115 THR HB 5.50 (# 3904:20 Unique 3.18, 3.85 A)
&rst
ixpk= 3904, nxpk= 20, iat=1886,1876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 SER HB- 116 SER HA 4.50 (# 3907:20 Unique 2.53, 2.81 A)
&rst
ixpk= 3907, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1890,1891,
&end
#
# 116 SER HB+ 116 SER HA 4.50 (# 3908:20 Unique 2.53, 2.81 A)
&rst
ixpk= 3908, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1890,1891,
&end
#
# 0 AMB 20-2:3910 116 SER HA 5.50 (# 3910:20 Single Ambig)
&rst
ixpk= 3910, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1908,1872,
&end
#
# 116 SER HN 116 SER HA 5.50 (# 3911:20 Unique 2.91, 2.93 A)
&rst
ixpk= 3911, nxpk= 20, iat=1886,1888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 SER HN 116 SER HA 3.50 (# 3912:20 Unique 2.92, 3.11 A)
&rst
ixpk= 3912, nxpk= 20, iat=1897,1888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 SER HN 116 SER HB- 5.50 (# 3913:20 Unique 3.64, 4.09 A)
&rst
ixpk= 3913, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1890,1891,
&end
#
# 117 SER HN 116 SER HB+ 4.50 (# 3914:20 Unique 3.64, 4.09 A)
&rst
ixpk= 3914, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1890,1891,
&end
#
# 116 SER HN 116 SER HB+ 4.50 (# 3915:20 Unique 2.32, 2.71 A)
&rst
ixpk= 3915, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1890,1891,
&end
#
# 116 SER HN 116 SER HB- 4.50 (# 3916:20 Unique 2.32, 2.71 A)
&rst
ixpk= 3916, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1890,1891,
&end
#
# 118 THR HN 116 SER HB- 5.50 (# 3917:20 Unique 3.14, 4.07 A)
&rst
ixpk= 3917, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1890,1891,
&end
#
# 118 THR HN 116 SER HB+ 5.50 (# 3918:20 Unique 3.14, 4.07 A)
&rst
ixpk= 3918, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1890,1891,
&end
#
# 116 SER HA 116 SER HB+ 3.50 (# 3919:20 Unique 2.53, 2.81 A)
&rst
ixpk= 3919, nxpk= 20, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1890,1891,
&end
#
# 116 SER HA 116 SER HB- 4.50 (# 3920:20 Unique 2.53, 2.81 A)
&rst
ixpk= 3920, nxpk= 20, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1890,1891,
&end
#
# 119 PRO HA 116 SER HB- 5.50 (# 3921:20 Unique 2.93, 3.69 A)
&rst
ixpk= 3921, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1890,1891,
&end
#
# 119 PRO HA 116 SER HB+ 5.50 (# 3922:20 Unique 2.93, 3.69 A)
&rst
ixpk= 3922, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1890,1891,
&end
#
# 56 GLU HB+ 116 SER HB+ 5.50 (# 3923:20 Unique 3.30, 5.54 A)
&rst
ixpk= 3923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 863, 864,
igr2=1890,1891,
&end
#
# 56 GLU HB+ 116 SER HB- 5.50 (# 3924:20 Unique 3.30, 5.54 A)
&rst
ixpk= 3924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 863, 864,
igr2=1890,1891,
&end
#
# 56 GLU HB- 116 SER HB+ 5.50 (# 3925:20 Unique 3.30, 5.54 A)
&rst
ixpk= 3925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 863, 864,
igr2=1890,1891,
&end
#
# 119 PRO HB- 116 SER HB- 5.50 (# 3926:20 Unique 1.98, 3.74 A)
&rst
ixpk= 3926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1929,1930,
igr2=1890,1891,
&end
#
# 117 SER HB+ 117 SER HA 2.80 (# 3927:20 Unique 2.62, 2.81 A)
&rst
ixpk= 3927, nxpk= 20, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1901,1902,
&end
#
# 117 SER HB- 117 SER HA 3.50 (# 3928:20 Unique 2.62, 2.81 A)
&rst
ixpk= 3928, nxpk= 20, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1901,1902,
&end
#
# 0 AMB 20-2:3929 0 AMB 20-1:3929 5.50 (# 3929:20 Double Ambig)
&rst
ixpk= 3929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1914,1915,1916,2549,2550,2551,2553,2554,2555,
igr2=1901,1902,2596,2597,2596,2597,
&end
#
# 118 THR MG2 117 SER HB- 5.50 (# 3930:20 Unique 2.81, 5.12 A)
&rst
ixpk= 3930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1914,1915,1916,
igr2=1901,1902,
&end
#
# 157 SER HA 0 AMB 20-1:3931 2.80 (# 3931:20 Single Ambig)
&rst
ixpk= 3931, nxpk= 20, iat=2594, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2596,2597,2596,2597,
&end
#
# 117 SER HA 117 SER HB- 3.50 (# 3932:20 Unique 2.62, 2.81 A)
&rst
ixpk= 3932, nxpk= 20, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1901,1902,
&end
#
# 0 AMB 20-2:3933 117 SER HB- 5.50 (# 3933:20 Single Ambig)
&rst
ixpk= 3933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1888,1857,
igr2=1901,1902,
&end
#
# 0 AMB 20-2:3934 0 AMB 20-1:3934 5.50 (# 3934:20 Double Ambig)
&rst
ixpk= 3934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1888,1857,
igr2=1901,1902,1874,
&end
#
# 118 THR HN 117 SER HB- 5.50 (# 3935:20 Unique 2.17, 2.81 A)
&rst
ixpk= 3935, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1901,1902,
&end
#
# 0 AMB 20-2:3936 0 AMB 20-1:3936 5.50 (# 3936:20 Double Ambig)
&rst
ixpk= 3936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1908,1872,
igr2=1901,1902,1874,
&end
#
# 117 SER HN 117 SER HB+ 4.50 (# 3937:20 Unique 3.20, 3.52 A)
&rst
ixpk= 3937, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1901,1902,
&end
#
# 117 SER HN 117 SER HB- 4.50 (# 3938:20 Unique 3.20, 3.52 A)
&rst
ixpk= 3938, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1901,1902,
&end
#
# 0 AMB 20-2:3939 0 AMB 20-1:3939 4.50 (# 3939:20 Double Ambig)
&rst
ixpk= 3939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1908,1340,
igr2=1910,1318,
&end
#
# 118 THR HB 118 THR HA 4.50 (# 3940:20 Unique 2.38, 2.56 A)
&rst
ixpk= 3940, nxpk= 20, iat=1912,1910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 ARG HB+ 82 ARG HA 3.50 (# 3941:20 Unique 2.27, 2.47 A)
&rst
ixpk= 3941, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1320,1321,
&end
#
# 82 ARG HB- 82 ARG HA 3.50 (# 3942:20 Unique 2.27, 2.47 A)
&rst
ixpk= 3942, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1320,1321,
&end
#
# 82 ARG HG- 82 ARG HA 4.50 (# 3943:20 Unique 2.26, 3.68 A)
&rst
ixpk= 3943, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1323,1324,
&end
#
# 82 ARG HG+ 82 ARG HA 4.50 (# 3944:20 Unique 2.26, 3.68 A)
&rst
ixpk= 3944, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1323,1324,
&end
#
# 118 THR MG2 118 THR HB 3.50 (# 3945:20 Unique 2.23, 2.64 A)
&rst
ixpk= 3945, nxpk= 20, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1914,1915,1916,
&end
#
# 0 AMB 20-2:3946 0 AMB 20-1:3946 5.50 (# 3946:20 Double Ambig)
&rst
ixpk= 3946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1923,1924, 442, 443,
igr2=1912,1876,
&end
#
# 0 AMB 20-2:3947 0 AMB 20-1:3947 5.50 (# 3947:20 Double Ambig)
&rst
ixpk= 3947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1923,1924,1923,1924,
igr2=1912,1876,
&end
#
# 118 THR HA 118 THR HB 3.50 (# 3948:20 Unique 2.38, 2.56 A)
&rst
ixpk= 3948, nxpk= 20, iat=1910,1912, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 THR HN 115 THR HB 4.50 (# 3950:20 Unique 2.41, 2.85 A)
&rst
ixpk= 3950, nxpk= 20, iat=1872,1876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 SER HN 118 THR MG2 5.50 (# 3952:20 Unique 5.60, 6.69 A)
&rst
ixpk= 3952, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1914,1915,1916,
&end
#
# 118 THR HN 118 THR MG2 5.50 (# 3953:20 Unique 2.46, 4.09 A)
&rst
ixpk= 3953, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1914,1915,1916,
&end
#
# 118 THR HA 118 THR MG2 3.50 (# 3954:20 Unique 2.13, 3.00 A)
&rst
ixpk= 3954, nxpk= 20, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1914,1915,1916,
&end
#
# 118 THR HB 118 THR MG2 2.80 (# 3955:20 Unique 2.23, 2.64 A)
&rst
ixpk= 3955, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1914,1915,1916,
&end
#
# 119 PRO HD+ 118 THR MG2 5.50 (# 3956:20 Unique 4.02, 5.33 A)
&rst
ixpk= 3956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1923,1924,
igr2=1914,1915,1916,
&end
#
# 0 AMB 20-2:3957 118 THR MG2 5.50 (# 3957:20 Single Ambig)
&rst
ixpk= 3957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 442, 443,1923,1924,
igr2=1914,1915,1916,
&end
#
# 120 GLU HB- 119 PRO HA 5.50 (# 3958:20 Unique 4.22, 5.29 A)
&rst
ixpk= 3958, nxpk= 20, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1940,1941,
&end
#
# 0 AMB 20-2:3959 119 PRO HA 4.50 (# 3959:20 Single Ambig)
&rst
ixpk= 3959, nxpk= 20, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1929,1930, 863, 864,
&end
#
# 119 PRO HB+ 119 PRO HA 4.50 (# 3960:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3960, nxpk= 20, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1929,1930,
&end
#
# 116 SER HB- 119 PRO HA 5.50 (# 3961:20 Unique 2.93, 3.69 A)
&rst
ixpk= 3961, nxpk= 20, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1890,1891,
&end
#
# 120 GLU HN 119 PRO HA 3.50 (# 3963:20 Unique 2.70, 3.38 A)
&rst
ixpk= 3963, nxpk= 20, iat=1936,1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 PHE HN 119 PRO HA 5.50 (# 3964:20 Unique 4.36, 5.29 A)
&rst
ixpk= 3964, nxpk= 20, iat=1951,1932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 GLU HN 119 PRO HB+ 5.50 (# 3967:20 Unique 1.76, 2.95 A)
&rst
ixpk= 3967, nxpk= 20, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1929,1930,
&end
#
# 120 GLU HN 119 PRO HB- 4.50 (# 3968:20 Unique 1.76, 2.95 A)
&rst
ixpk= 3968, nxpk= 20, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1929,1930,
&end
#
# 0 AMB 20-2:3969 0 AMB 20-1:3969 5.50 (# 3969:20 Double Ambig)
&rst
ixpk= 3969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 446, 454, 847, 855,
igr2=1929,1930,1929,1930,
&end
#
# 0 AMB 20-2:3970 0 AMB 20-1:3970 5.50 (# 3970:20 Double Ambig)
&rst
ixpk= 3970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1857, 876,
igr2=1929,1930,1929,1930,
&end
#
# 119 PRO HA 119 PRO HB+ 4.50 (# 3971:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3971, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1929,1930,
&end
#
# 119 PRO HA 119 PRO HB- 3.50 (# 3972:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3972, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1929,1930,
&end
#
# 0 AMB 20-2:3973 0 AMB 20-1:3973 5.50 (# 3973:20 Double Ambig)
&rst
ixpk= 3973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1923,1924,1955,1956,
igr2=1929,1930,1929,1930,
&end
#
# 119 PRO HD- 119 PRO HB+ 5.50 (# 3974:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1923,1924,
igr2=1929,1930,
&end
#
# 119 PRO HG+ 119 PRO HB+ 4.50 (# 3975:20 Unique 2.32, 2.58 A)
&rst
ixpk= 3975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1926,1927,
igr2=1929,1930,
&end
#
# 0 AMB 20-2:3976 0 AMB 20-1:3976 2.80 (# 3976:20 Double Ambig)
&rst
ixpk= 3976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2475,2476,1304,1305,1304,1305,2472,2473,
igr2=2469,2470,1298,1299,1298,1299,
&end
#
# 0 AMB 20-2:3977 0 AMB 20-1:3977 4.50 (# 3977:20 Double Ambig)
&rst
ixpk= 3977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1926,1927,2563,
igr2=1929,1930,2582,2583,
&end
#
# 133 VAL MGX 141 ARG HG- 5.50 (# 3978:20 Unique 2.59, 6.83 A)
&rst
ixpk= 3978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2175,2176,2177,2179,2180,2181,
igr2=2318,2319,
&end
#
# 119 PRO HB- 119 PRO HG+ 4.50 (# 3980:20 Unique 2.32, 2.58 A)
&rst
ixpk= 3980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1929,1930,
igr2=1926,1927,
&end
#
# 0 AMB 20-2:3981 0 AMB 20-1:3981 3.50 (# 3981:20 Double Ambig)
&rst
ixpk= 3981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 790, 791,1929,1930,2388,2389,2388,2389,
igr2= 793, 794,1926,1927,2318,2319,
&end
#
# 119 PRO HB+ 119 PRO HG+ 5.50 (# 3982:20 Unique 2.32, 2.58 A)
&rst
ixpk= 3982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1929,1930,
igr2=1926,1927,
&end
#
# 0 AMB 20-2:3983 0 AMB 20-1:3983 5.50 (# 3983:20 Double Ambig)
&rst
ixpk= 3983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1862,1863,1862,1863,1975,1976,
igr2=1926,1927,1926,1927,1926,1927,
&end
#
# 0 AMB 20-2:3984 0 AMB 20-1:3984 5.50 (# 3984:20 Double Ambig)
&rst
ixpk= 3984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1287,1288,1862,1863,1862,1863,
igr2=1323,1324,1926,1927,
&end
#
# 119 PRO HB+ 119 PRO HG- 5.50 (# 3985:20 Unique 2.32, 2.58 A)
&rst
ixpk= 3985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1929,1930,
igr2=1926,1927,
&end
#
# 0 AMB 20-2:3986 0 AMB 20-1:3986 5.50 (# 3986:20 Double Ambig)
&rst
ixpk= 3986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1923,1924, 442, 443,
igr2=1926,1927,1926,1927,
&end
#
# 0 AMB 20-2:3987 119 PRO HG- 5.50 (# 3987:20 Single Ambig)
&rst
ixpk= 3987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1923,1924, 442, 443,
igr2=1926,1927,
&end
#
# 119 PRO HD+ 119 PRO HG+ 4.50 (# 3988:20 Unique 2.30, 2.58 A)
&rst
ixpk= 3988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1923,1924,
igr2=1926,1927,
&end
#
# 0 AMB 20-2:3989 0 AMB 20-1:3989 4.50 (# 3989:20 Double Ambig)
&rst
ixpk= 3989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1318,1840,
igr2=1323,1324,1926,1927,
&end
#
# 114 GLN HA 119 PRO HG- 5.50 (# 3990:20 Unique 1.91, 3.16 A)
&rst
ixpk= 3990, nxpk= 20, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1926,1927,
&end
#
# 28 PHE HD 119 PRO HG+ 5.50 (# 3991:20 Unique 2.86, 6.55 A)
&rst
ixpk= 3991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 446, 454,
igr2=1926,1927,
&end
#
# 0 AMB 20-2:3992 0 AMB 20-1:3992 5.50 (# 3992:20 Double Ambig)
&rst
ixpk= 3992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2198, 644, 645,
igr2=2318,2319, 793, 794,
&end
#
# 120 GLU HN 119 PRO HD+ 5.50 (# 3993:20 Unique 2.75, 3.91 A)
&rst
ixpk= 3993, nxpk= 20, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1923,1924,
&end
#
# 118 THR HN 119 PRO HD+ 5.50 (# 3994:20 Unique 2.51, 3.26 A)
&rst
ixpk= 3994, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1923,1924,
&end
#
# 118 THR HN 119 PRO HD- 5.50 (# 3995:20 Unique 2.51, 3.26 A)
&rst
ixpk= 3995, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1923,1924,
&end
#
# 28 PHE HD 119 PRO HD- 5.50 (# 3996:20 Unique 2.82, 6.04 A)
&rst
ixpk= 3996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 446, 454,
igr2=1923,1924,
&end
#
# 114 GLN HA 119 PRO HD+ 5.50 (# 3997:20 Unique 2.26, 2.99 A)
&rst
ixpk= 3997, nxpk= 20, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1923,1924,
&end
#
# 114 GLN HA 119 PRO HD- 5.50 (# 3998:20 Unique 2.26, 2.99 A)
&rst
ixpk= 3998, nxpk= 20, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1923,1924,
&end
#
# 118 THR HA 119 PRO HD- 3.50 (# 3999:20 Unique 2.01, 2.60 A)
&rst
ixpk= 3999, nxpk= 20, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1923,1924,
&end
#
# 118 THR HA 119 PRO HD+ 3.50 (# 4000:20 Unique 2.01, 2.60 A)
&rst
ixpk= 4000, nxpk= 20, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1923,1924,
&end
#
# 0 AMB 20-2:4001 0 AMB 20-1:4001 5.50 (# 4001:20 Double Ambig)
&rst
ixpk= 4001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1912,1874,1876,
igr2=1923,1924,1923,1924,1923,1924,
&end
#
# 0 AMB 20-2:4002 119 PRO HD- 5.50 (# 4002:20 Single Ambig)
&rst
ixpk= 4002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1912,1874,1876,
igr2=1923,1924,
&end
#
# 119 PRO HB+ 119 PRO HD+ 5.50 (# 4003:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1929,1930,
igr2=1923,1924,
&end
#
# 119 PRO HB+ 119 PRO HD- 5.50 (# 4004:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1929,1930,
igr2=1923,1924,
&end
#
# 0 AMB 20-2:4005 0 AMB 20-1:4005 5.50 (# 4005:20 Double Ambig)
&rst
ixpk= 4005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1859,1860,1929,1930,
igr2=1923,1924,1923,1924,
&end
#
# 0 AMB 20-2:4006 119 PRO HD- 5.50 (# 4006:20 Single Ambig)
&rst
ixpk= 4006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1859,1860,1929,1930,
igr2=1923,1924,
&end
#
# 119 PRO HG+ 119 PRO HD+ 4.50 (# 4007:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1926,1927,
igr2=1923,1924,
&end
#
# 119 PRO HG+ 119 PRO HD- 5.50 (# 4008:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1926,1927,
igr2=1923,1924,
&end
#
# 119 PRO HG- 119 PRO HD- 5.50 (# 4009:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1926,1927,
igr2=1923,1924,
&end
#
# 119 PRO HG- 119 PRO HD+ 5.50 (# 4010:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1926,1927,
igr2=1923,1924,
&end
#
# 118 THR MG2 119 PRO HD+ 5.50 (# 4011:20 Unique 4.02, 5.33 A)
&rst
ixpk= 4011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1914,1915,1916,
igr2=1923,1924,
&end
#
# 118 THR MG2 119 PRO HD- 5.50 (# 4012:20 Unique 4.02, 5.33 A)
&rst
ixpk= 4012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1914,1915,1916,
igr2=1923,1924,
&end
#
# 120 GLU HB- 120 GLU HA 5.50 (# 4013:20 Unique 2.31, 2.70 A)
&rst
ixpk= 4013, nxpk= 20, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1940,1941,
&end
#
# 120 GLU HG+ 120 GLU HA 5.50 (# 4014:20 Unique 2.07, 3.26 A)
&rst
ixpk= 4014, nxpk= 20, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1943,1944,
&end
#
# 120 GLU HG- 120 GLU HA 5.50 (# 4015:20 Unique 2.07, 3.26 A)
&rst
ixpk= 4015, nxpk= 20, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1943,1944,
&end
#
# 120 GLU HB+ 120 GLU HA 4.50 (# 4016:20 Unique 2.31, 2.70 A)
&rst
ixpk= 4016, nxpk= 20, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1940,1941,
&end
#
# 28 PHE HB- 120 GLU HA 5.50 (# 4017:20 Unique 3.42, 6.07 A)
&rst
ixpk= 4017, nxpk= 20, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 443,
&end
#
# 121 PHE HB- 120 GLU HA 5.50 (# 4018:20 Unique 4.31, 6.02 A)
&rst
ixpk= 4018, nxpk= 20, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1955,1956,
&end
#
# 119 PRO HA 120 GLU HA 5.50 (# 4019:20 Unique 4.33, 4.67 A)
&rst
ixpk= 4019, nxpk= 20, iat=1932,1938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HD 120 GLU HA 5.50 (# 4020:20 Unique 2.66, 5.30 A)
&rst
ixpk= 4020, nxpk= 20, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 446, 454,
&end
#
# 0 AMB 20-2:4021 120 GLU HA 5.50 (# 4021:20 Single Ambig)
&rst
ixpk= 4021, nxpk= 20, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1936, 458,
&end
#
# 121 PHE HN 120 GLU HA 5.50 (# 4022:20 Unique 2.62, 3.49 A)
&rst
ixpk= 4022, nxpk= 20, iat=1951,1938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 PHE HN 120 GLU HB- 5.50 (# 4023:20 Unique 2.26, 3.22 A)
&rst
ixpk= 4023, nxpk= 20, iat=1951, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1940,1941,
&end
#
# 121 PHE HN 120 GLU HB+ 5.50 (# 4024:20 Unique 2.26, 3.22 A)
&rst
ixpk= 4024, nxpk= 20, iat=1951, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1940,1941,
&end
#
# 120 GLU HN 120 GLU HB- 5.50 (# 4025:20 Unique 2.35, 3.41 A)
&rst
ixpk= 4025, nxpk= 20, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1940,1941,
&end
#
# 0 AMB 20-2:4026 0 AMB 20-1:4026 4.50 (# 4026:20 Double Ambig)
&rst
ixpk= 4026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 482, 458,1936,
igr2= 418, 419, 418, 419,1940,1941,
&end
#
# 28 PHE HD 120 GLU HB- 5.50 (# 4028:20 Unique 4.85, 7.27 A)
&rst
ixpk= 4028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 446, 454,
igr2=1940,1941,
&end
#
# 28 PHE HD 0 AMB 20-1:4029 5.50 (# 4029:20 Single Ambig)
&rst
ixpk= 4029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 446, 454,
igr2= 418, 419,1940,1941,
&end
#
# 134 ARG HN 134 ARG HB- 5.50 (# 4030:20 Unique 2.46, 3.24 A)
&rst
ixpk= 4030, nxpk= 20, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2189,2190,
&end
#
# 119 PRO HA 120 GLU HB- 5.50 (# 4031:20 Unique 4.22, 5.29 A)
&rst
ixpk= 4031, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1940,1941,
&end
#
# 120 GLU HA 120 GLU HB- 5.50 (# 4032:20 Unique 2.31, 2.70 A)
&rst
ixpk= 4032, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1940,1941,
&end
#
# 120 GLU HA 120 GLU HB+ 4.50 (# 4033:20 Unique 2.31, 2.70 A)
&rst
ixpk= 4033, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1940,1941,
&end
#
# 0 AMB 20-2:4034 0 AMB 20-1:4034 5.50 (# 4034:20 Double Ambig)
&rst
ixpk= 4034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 467,1932,
igr2= 418, 419,1940,1941,
&end
#
# 0 AMB 20-2:4035 120 GLU HB- 4.50 (# 4035:20 Single Ambig)
&rst
ixpk= 4035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1943,1944, 418, 419,
igr2=1940,1941,
&end
#
# 120 GLU HG- 120 GLU HB- 5.50 (# 4036:20 Unique 2.21, 2.65 A)
&rst
ixpk= 4036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1943,1944,
igr2=1940,1941,
&end
#
# 120 GLU HB- 120 GLU HG+ 4.50 (# 4037:20 Unique 2.21, 2.65 A)
&rst
ixpk= 4037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1940,1941,
igr2=1943,1944,
&end
#
# 120 GLU HB- 120 GLU HG- 4.50 (# 4038:20 Unique 2.21, 2.65 A)
&rst
ixpk= 4038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1940,1941,
igr2=1943,1944,
&end
#
# 120 GLU HB+ 120 GLU HG+ 3.50 (# 4039:20 Unique 2.21, 2.65 A)
&rst
ixpk= 4039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1940,1941,
igr2=1943,1944,
&end
#
# 120 GLU HB+ 120 GLU HG- 5.50 (# 4040:20 Unique 2.21, 2.65 A)
&rst
ixpk= 4040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1940,1941,
igr2=1943,1944,
&end
#
# 0 AMB 20-2:4041 0 AMB 20-1:4041 5.50 (# 4041:20 Double Ambig)
&rst
ixpk= 4041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 424, 425, 881, 882,
igr2=1943,1944,1943,1944,
&end
#
# 0 AMB 20-2:4042 120 GLU HG- 5.50 (# 4042:20 Single Ambig)
&rst
ixpk= 4042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 424, 425, 881, 882,
igr2=1943,1944,
&end
#
# 27 ARG HD+ 120 GLU HG+ 5.50 (# 4043:20 Unique 2.51, 5.74 A)
&rst
ixpk= 4043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 424, 425,
igr2=1943,1944,
&end
#
# 27 ARG HD+ 120 GLU HG- 5.50 (# 4044:20 Unique 2.51, 5.74 A)
&rst
ixpk= 4044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 424, 425,
igr2=1943,1944,
&end
#
# 120 GLU HA 120 GLU HG- 5.50 (# 4045:20 Unique 2.07, 3.26 A)
&rst
ixpk= 4045, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1943,1944,
&end
#
# 120 GLU HA 120 GLU HG+ 5.50 (# 4046:20 Unique 2.07, 3.26 A)
&rst
ixpk= 4046, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1943,1944,
&end
#
# 0 AMB 20-2:4047 0 AMB 20-1:4047 5.50 (# 4047:20 Double Ambig)
&rst
ixpk= 4047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 369,2209,
igr2=2162,2163,2162,2163,
&end
#
# 28 PHE HD 120 GLU HG+ 4.50 (# 4048:20 Unique 4.58, 7.92 A)
&rst
ixpk= 4048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 446, 454,
igr2=1943,1944,
&end
#
# 120 GLU HN 120 GLU HG+ 5.50 (# 4049:20 Unique 2.14, 3.88 A)
&rst
ixpk= 4049, nxpk= 20, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1943,1944,
&end
#
# 120 GLU HN 120 GLU HG- 5.50 (# 4050:20 Unique 2.14, 3.88 A)
&rst
ixpk= 4050, nxpk= 20, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1943,1944,
&end
#
# 121 PHE HN 121 PHE HA 5.50 (# 4051:20 Unique 2.84, 2.93 A)
&rst
ixpk= 4051, nxpk= 20, iat=1951,1953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASP HN 121 PHE HA 5.50 (# 4052:20 Unique 2.16, 2.35 A)
&rst
ixpk= 4052, nxpk= 20, iat=1971,1953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HN 121 PHE HA 5.50 (# 4053:20 Unique 1.85, 2.31 A)
&rst
ixpk= 4053, nxpk= 20, iat= 438,1953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 GLY HN 121 PHE HA 5.50 (# 4054:20 Unique 3.67, 4.16 A)
&rst
ixpk= 4054, nxpk= 20, iat=1983,1953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HA 121 PHE HA 5.50 (# 4056:20 Unique 1.86, 2.16 A)
&rst
ixpk= 4056, nxpk= 20, iat= 416,1953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 PHE HB+ 121 PHE HA 5.50 (# 4057:20 Unique 2.24, 2.66 A)
&rst
ixpk= 4057, nxpk= 20, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1955,1956,
&end
#
# 121 PHE HB- 121 PHE HA 5.50 (# 4058:20 Unique 2.24, 2.66 A)
&rst
ixpk= 4058, nxpk= 20, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1955,1956,
&end
#
# 25 ALA MB 121 PHE HB+ 5.50 (# 4059:20 Unique 1.98, 3.31 A)
&rst
ixpk= 4059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 384, 385, 386,
igr2=1955,1956,
&end
#
# 123 GLY HN 121 PHE HB+ 5.50 (# 4061:20 Unique 2.34, 3.46 A)
&rst
ixpk= 4061, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1955,1956,
&end
#
# 122 ASP HN 121 PHE HB+ 5.50 (# 4062:20 Unique 2.14, 3.19 A)
&rst
ixpk= 4062, nxpk= 20, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1955,1956,
&end
#
# 121 PHE HA 121 PHE HB+ 5.50 (# 4064:20 Unique 2.24, 2.66 A)
&rst
ixpk= 4064, nxpk= 20, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1955,1956,
&end
#
# 0 AMB 20-2:4065 0 AMB 20-1:4065 5.50 (# 4065:20 Double Ambig)
&rst
ixpk= 4065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1842,1843,1842,1843,
igr2=1955,1956,1955,1956,
&end
#
# 122 ASP HA 122 ASP HB+ 5.50 (# 4066:20 Unique 2.32, 2.72 A)
&rst
ixpk= 4066, nxpk= 20, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1975,1976,
&end
#
# 28 PHE HA 122 ASP HB- 5.50 (# 4067:20 Unique 2.26, 3.73 A)
&rst
ixpk= 4067, nxpk= 20, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1975,1976,
&end
#
# 122 ASP HA 122 ASP HB- 5.50 (# 4069:20 Unique 2.32, 2.72 A)
&rst
ixpk= 4069, nxpk= 20, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1975,1976,
&end
#
# 28 PHE HD 122 ASP HB- 5.50 (# 4070:20 Unique 3.24, 5.21 A)
&rst
ixpk= 4070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 446, 454,
igr2=1975,1976,
&end
#
# 28 PHE HE 122 ASP HB- 5.50 (# 4071:20 Unique 3.28, 6.92 A)
&rst
ixpk= 4071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 448, 452,
igr2=1975,1976,
&end
#
# 122 ASP HN 122 ASP HB+ 5.50 (# 4072:20 Unique 2.25, 2.98 A)
&rst
ixpk= 4072, nxpk= 20, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1975,1976,
&end
#
# 122 ASP HN 122 ASP HB- 5.50 (# 4073:20 Unique 2.25, 2.98 A)
&rst
ixpk= 4073, nxpk= 20, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1975,1976,
&end
#
# 0 AMB 20-2:4074 122 ASP HB- 5.50 (# 4074:20 Single Ambig)
&rst
ixpk= 4074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 458,1936, 482,
igr2=1975,1976,
&end
#
# 124 TRP HN 123 GLY HA- 4.50 (# 4075:20 Unique 2.18, 2.58 A)
&rst
ixpk= 4075, nxpk= 20, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1985,1986,
&end
#
# 124 TRP HN 123 GLY HA+ 4.50 (# 4076:20 Unique 2.18, 2.58 A)
&rst
ixpk= 4076, nxpk= 20, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1985,1986,
&end
#
# 123 GLY HN 123 GLY HA+ 5.50 (# 4077:20 Unique 2.29, 2.57 A)
&rst
ixpk= 4077, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1985,1986,
&end
#
# 123 GLY HN 123 GLY HA- 5.50 (# 4078:20 Unique 2.29, 2.57 A)
&rst
ixpk= 4078, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1985,1986,
&end
#
# 125 ARG HN 124 TRP HA 5.50 (# 4081:20 Unique 2.49, 3.04 A)
&rst
ixpk= 4081, nxpk= 20, iat=2014,1992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 TRP HN 124 TRP HA 5.50 (# 4082:20 Unique 2.66, 2.77 A)
&rst
ixpk= 4082, nxpk= 20, iat=1990,1992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG HN 124 TRP HA 5.50 (# 4083:20 Unique 3.89, 5.78 A)
&rst
ixpk= 4083, nxpk= 20, iat= 390,1992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HA 124 TRP HA 5.50 (# 4085:20 Unique 4.60, 4.97 A)
&rst
ixpk= 4085, nxpk= 20, iat= 382,1992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 TRP HB- 124 TRP HA 5.50 (# 4086:20 Unique 2.27, 2.52 A)
&rst
ixpk= 4086, nxpk= 20, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1994,1995,
&end
#
# 124 TRP HB+ 124 TRP HA 5.50 (# 4087:20 Unique 2.27, 2.52 A)
&rst
ixpk= 4087, nxpk= 20, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1994,1995,
&end
#
# 113 MET ME 124 TRP HA 5.50 (# 4088:20 Unique 1.99, 3.80 A)
&rst
ixpk= 4088, nxpk= 20, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1849,1850,1851,
&end
#
# 25 ALA MB 124 TRP HA 5.50 (# 4089:20 Unique 4.79, 6.15 A)
&rst
ixpk= 4089, nxpk= 20, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 384, 385, 386,
&end
#
# 25 ALA MB 124 TRP HB+ 5.50 (# 4090:20 Unique 3.38, 7.24 A)
&rst
ixpk= 4090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 384, 385, 386,
igr2=1994,1995,
&end
#
# 25 ALA MB 124 TRP HB- 5.50 (# 4091:20 Unique 3.38, 7.24 A)
&rst
ixpk= 4091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 384, 385, 386,
igr2=1994,1995,
&end
#
# 0 AMB 20-2:4092 0 AMB 20-1:4092 5.50 (# 4092:20 Double Ambig)
&rst
ixpk= 4092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=1849,1850,1851,1842,1843,1842,1843,
igr2=1994,1995,1994,1995,1994,1995,
&end
#
# 0 AMB 20-2:4093 0 AMB 20-1:4093 5.50 (# 4093:20 Double Ambig)
&rst
ixpk= 4093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1849,1850,1851,1182,1842,1843,1842,1843,
igr2=1994,1995,1620,1621,
&end
#
# 124 TRP HA 124 TRP HB+ 5.50 (# 4094:20 Unique 2.27, 2.52 A)
&rst
ixpk= 4094, nxpk= 20, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1994,1995,
&end
#
# 124 TRP HA 124 TRP HB- 5.50 (# 4095:20 Unique 2.27, 2.52 A)
&rst
ixpk= 4095, nxpk= 20, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1994,1995,
&end
#
# 124 TRP HN 124 TRP HB- 5.50 (# 4100:20 Unique 2.75, 3.73 A)
&rst
ixpk= 4100, nxpk= 20, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1994,1995,
&end
#
# 125 ARG HN 124 TRP HB- 5.50 (# 4101:20 Unique 1.82, 4.03 A)
&rst
ixpk= 4101, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1994,1995,
&end
#
# 125 ARG HN 124 TRP HB+ 5.50 (# 4102:20 Unique 1.82, 4.03 A)
&rst
ixpk= 4102, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1994,1995,
&end
#
# 127 VAL MGY 125 ARG HB+ 5.50 (# 4105:20 Unique 4.14, 7.72 A)
&rst
ixpk= 4105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2018,2019,
&end
#
# 127 VAL MGY 125 ARG HB- 5.50 (# 4106:20 Unique 4.14, 7.72 A)
&rst
ixpk= 4106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2018,2019,
&end
#
# 125 ARG HA 125 ARG HB- 5.50 (# 4107:20 Unique 2.24, 2.64 A)
&rst
ixpk= 4107, nxpk= 20, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 125 ARG HA 125 ARG HB+ 5.50 (# 4108:20 Unique 2.24, 2.64 A)
&rst
ixpk= 4108, nxpk= 20, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 33 TRP HH2 125 ARG HB+ 5.50 (# 4111:20 Unique 2.35, 4.27 A)
&rst
ixpk= 4111, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 33 TRP HH2 125 ARG HB- 5.50 (# 4112:20 Unique 2.35, 4.27 A)
&rst
ixpk= 4112, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 0 AMB 20-2:4113 0 AMB 20-1:4113 5.50 (# 4113:20 Double Ambig)
&rst
ixpk= 4113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2696,1594,
igr2=2700,2701,1581,1582,
&end
#
# 164 LYS HN 164 LYS HB- 5.50 (# 4114:20 Unique 2.06, 2.84 A)
&rst
ixpk= 4114, nxpk= 20, iat=2696, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2700,2701,
&end
#
# 126 TRP HN 125 ARG HB+ 5.50 (# 4115:20 Unique 2.14, 3.71 A)
&rst
ixpk= 4115, nxpk= 20, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 126 TRP HN 125 ARG HB- 5.50 (# 4116:20 Unique 2.14, 3.71 A)
&rst
ixpk= 4116, nxpk= 20, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 125 ARG HN 125 ARG HB+ 5.50 (# 4117:20 Unique 2.42, 3.29 A)
&rst
ixpk= 4117, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 125 ARG HN 125 ARG HG+ 5.50 (# 4119:20 Unique 2.58, 4.15 A)
&rst
ixpk= 4119, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2021,2022,
&end
#
# 125 ARG HN 125 ARG HG- 5.50 (# 4120:20 Unique 2.58, 4.15 A)
&rst
ixpk= 4120, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2021,2022,
&end
#
# 126 TRP HN 125 ARG HG+ 5.50 (# 4121:20 Unique 2.08, 3.30 A)
&rst
ixpk= 4121, nxpk= 20, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2021,2022,
&end
#
# 126 TRP HN 125 ARG HG- 5.50 (# 4122:20 Unique 2.08, 3.30 A)
&rst
ixpk= 4122, nxpk= 20, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2021,2022,
&end
#
# 125 ARG HA 125 ARG HG+ 5.50 (# 4123:20 Unique 2.10, 3.24 A)
&rst
ixpk= 4123, nxpk= 20, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2021,2022,
&end
#
# 125 ARG HA 125 ARG HG- 5.50 (# 4124:20 Unique 2.10, 3.24 A)
&rst
ixpk= 4124, nxpk= 20, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2021,2022,
&end
#
# 125 ARG HD- 125 ARG HG+ 5.50 (# 4125:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2024,2025,
igr2=2021,2022,
&end
#
# 125 ARG HD+ 125 ARG HG- 5.50 (# 4126:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2024,2025,
igr2=2021,2022,
&end
#
# 125 ARG HB+ 125 ARG HG- 5.50 (# 4127:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2018,2019,
igr2=2021,2022,
&end
#
# 127 VAL MGY 125 ARG HG- 5.50 (# 4128:20 Unique 3.14, 6.68 A)
&rst
ixpk= 4128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2021,2022,
&end
#
# 127 VAL MGY 125 ARG HG+ 5.50 (# 4129:20 Unique 3.14, 6.68 A)
&rst
ixpk= 4129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2021,2022,
&end
#
# 127 VAL MGY 125 ARG HD+ 5.50 (# 4130:20 Unique 3.59, 7.44 A)
&rst
ixpk= 4130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2024,2025,
&end
#
# 127 VAL MGY 125 ARG HD- 5.50 (# 4131:20 Unique 3.59, 7.44 A)
&rst
ixpk= 4131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2024,2025,
&end
#
# 125 ARG HG- 125 ARG HD+ 5.50 (# 4132:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2021,2022,
igr2=2024,2025,
&end
#
# 125 ARG HG- 125 ARG HD- 5.50 (# 4133:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2021,2022,
igr2=2024,2025,
&end
#
# 125 ARG HB+ 125 ARG HD+ 4.50 (# 4134:20 Unique 2.01, 2.99 A)
&rst
ixpk= 4134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2018,2019,
igr2=2024,2025,
&end
#
# 125 ARG HB+ 125 ARG HD- 4.50 (# 4135:20 Unique 2.01, 2.99 A)
&rst
ixpk= 4135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2018,2019,
igr2=2024,2025,
&end
#
# 125 ARG HB- 125 ARG HD+ 4.50 (# 4136:20 Unique 2.01, 2.99 A)
&rst
ixpk= 4136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2018,2019,
igr2=2024,2025,
&end
#
# 125 ARG HB- 125 ARG HD- 4.50 (# 4137:20 Unique 2.01, 2.99 A)
&rst
ixpk= 4137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2018,2019,
igr2=2024,2025,
&end
#
# 125 ARG HG+ 125 ARG HD+ 5.50 (# 4138:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2021,2022,
igr2=2024,2025,
&end
#
# 125 ARG HG+ 125 ARG HD- 4.50 (# 4139:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2021,2022,
igr2=2024,2025,
&end
#
# 125 ARG HA 125 ARG HD+ 5.50 (# 4140:20 Unique 2.08, 4.43 A)
&rst
ixpk= 4140, nxpk= 20, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2024,2025,
&end
#
# 125 ARG HA 125 ARG HD- 5.50 (# 4141:20 Unique 2.08, 4.43 A)
&rst
ixpk= 4141, nxpk= 20, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2024,2025,
&end
#
# 125 ARG HE 125 ARG HD+ 5.50 (# 4144:20 Unique 2.27, 2.73 A)
&rst
ixpk= 4144, nxpk= 20, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2024,2025,
&end
#
# 125 ARG HE 125 ARG HD- 5.50 (# 4145:20 Unique 2.27, 2.73 A)
&rst
ixpk= 4145, nxpk= 20, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2024,2025,
&end
#
# 33 TRP HH2 125 ARG HD+ 5.50 (# 4146:20 Unique 2.12, 5.17 A)
&rst
ixpk= 4146, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2024,2025,
&end
#
# 33 TRP HH2 125 ARG HD- 5.50 (# 4147:20 Unique 2.12, 5.17 A)
&rst
ixpk= 4147, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2024,2025,
&end
#
# 125 ARG HN 125 ARG HD- 5.50 (# 4148:20 Unique 4.42, 5.32 A)
&rst
ixpk= 4148, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2024,2025,
&end
#
# 127 VAL HN 126 TRP HA 4.50 (# 4149:20 Unique 2.41, 2.49 A)
&rst
ixpk= 4149, nxpk= 20, iat=2062,2040, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 TRP HN 126 TRP HA 5.50 (# 4150:20 Unique 2.42, 2.88 A)
&rst
ixpk= 4150, nxpk= 20, iat= 356,2040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 VAL HN 126 TRP HA 5.50 (# 4151:20 Unique 4.09, 5.02 A)
&rst
ixpk= 4151, nxpk= 20, iat= 323,2040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 TRP HN 126 TRP HA 5.50 (# 4152:20 Unique 2.88, 2.92 A)
&rst
ixpk= 4152, nxpk= 20, iat=2038,2040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 TRP HD1 126 TRP HA 5.50 (# 4154:20 Unique 4.42, 4.80 A)
&rst
ixpk= 4154, nxpk= 20, iat=2046,2040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 VAL HA 126 TRP HA 5.50 (# 4155:20 Unique 4.43, 4.51 A)
&rst
ixpk= 4155, nxpk= 20, iat=2064,2040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HA 126 TRP HA 5.50 (# 4156:20 Unique 3.33, 3.91 A)
&rst
ixpk= 4156, nxpk= 20, iat= 341,2040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4157 126 TRP HA 5.50 (# 4157:20 Single Ambig)
&rst
ixpk= 4157, nxpk= 20, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2042,2043,2042,2043,
&end
#
# 21 GLN HB+ 126 TRP HA 5.50 (# 4158:20 Unique 3.53, 5.23 A)
&rst
ixpk= 4158, nxpk= 20, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 310, 311,
&end
#
# 0 AMB 20-2:4159 126 TRP HA 5.50 (# 4159:20 Single Ambig)
&rst
ixpk= 4159, nxpk= 20, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 310, 311,2018,2019,
&end
#
# 127 VAL MGX 126 TRP HA 5.50 (# 4160:20 Unique 3.22, 4.93 A)
&rst
ixpk= 4160, nxpk= 20, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL MGY 126 TRP HA 5.50 (# 4161:20 Unique 3.22, 4.93 A)
&rst
ixpk= 4161, nxpk= 20, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 0 AMB 20-2:4162 0 AMB 20-1:4162 5.50 (# 4162:20 Double Ambig)
&rst
ixpk= 4162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 310, 311, 310, 311,
igr2=2042,2043,2042,2043,
&end
#
# 126 TRP HA 0 AMB 20-1:4163 5.50 (# 4163:20 Single Ambig)
&rst
ixpk= 4163, nxpk= 20, iat=2040, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2042,2043,2042,2043,
&end
#
# 126 TRP HD1 0 AMB 20-1:4165 5.50 (# 4165:20 Single Ambig)
&rst
ixpk= 4165, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2042,2043,2042,2043,
&end
#
# 126 TRP HN 0 AMB 20-1:4166 5.50 (# 4166:20 Single Ambig)
&rst
ixpk= 4166, nxpk= 20, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2042,2043,2042,2043,
&end
#
# 127 VAL HN 127 VAL HB 5.50 (# 4167:20 Unique 3.12, 3.69 A)
&rst
ixpk= 4167, nxpk= 20, iat=2062,2066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 SER HN 127 VAL HB 5.50 (# 4168:20 Unique 1.90, 2.81 A)
&rst
ixpk= 4168, nxpk= 20, iat=2078,2066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4169 127 VAL HB 5.50 (# 4169:20 Single Ambig)
&rst
ixpk= 4169, nxpk= 20, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2142,2151, 364,
&end
#
# 127 VAL HA 127 VAL HB 5.50 (# 4170:20 Unique 2.40, 2.51 A)
&rst
ixpk= 4170, nxpk= 20, iat=2064,2066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4171 127 VAL HB 5.50 (# 4171:20 Single Ambig)
&rst
ixpk= 4171, nxpk= 20, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2082,2083,2082,2083,
&end
#
# 0 AMB 20-2:4172 127 VAL HB 5.50 (# 4172:20 Single Ambig)
&rst
ixpk= 4172, nxpk= 20, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2138,2139,2138,2139,
&end
#
# 127 VAL MGX 127 VAL HB 5.50 (# 4173:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4173, nxpk= 20, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL MGY 127 VAL HB 5.50 (# 4174:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4174, nxpk= 20, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 22 VAL MGX 127 VAL MGX 4.50 (# 4176:20 Unique 1.99, 6.61 A)
&rst
ixpk= 4176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 329, 330, 331, 333, 334, 335,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 132 PRO HB+ 127 VAL MGX 5.50 (# 4177:20 Unique 1.93, 5.09 A)
&rst
ixpk= 4177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2162,2163,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 0 AMB 20-2:4178 127 VAL MGX 4.50 (# 4178:20 Single Ambig)
&rst
ixpk= 4178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2159,2160,2066,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 0 AMB 20-2:4179 127 VAL MGX 5.50 (# 4179:20 Single Ambig)
&rst
ixpk= 4179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2138,2139,2138,2139,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 24 TRP HB- 127 VAL MGX 5.50 (# 4180:20 Unique 1.98, 4.43 A)
&rst
ixpk= 4180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 360, 361,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 24 TRP HB+ 127 VAL MGX 5.50 (# 4181:20 Unique 1.98, 4.43 A)
&rst
ixpk= 4181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 360, 361,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL HA 127 VAL MGX 5.50 (# 4182:20 Unique 2.06, 3.45 A)
&rst
ixpk= 4182, nxpk= 20, iat=2064, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 0 AMB 20-2:4183 127 VAL MGX 5.50 (# 4183:20 Single Ambig)
&rst
ixpk= 4183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2142,2151, 364,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 131 TYR HN 127 VAL MGX 5.50 (# 4184:20 Unique 3.30, 6.11 A)
&rst
ixpk= 4184, nxpk= 20, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 128 SER HN 127 VAL MGX 5.50 (# 4185:20 Unique 1.94, 4.11 A)
&rst
ixpk= 4185, nxpk= 20, iat=2078, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL HN 127 VAL MGX 5.50 (# 4186:20 Unique 2.13, 3.70 A)
&rst
ixpk= 4186, nxpk= 20, iat=2062, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 24 TRP HE1 127 VAL MGY 5.50 (# 4187:20 Unique 3.28, 5.19 A)
&rst
ixpk= 4187, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL HN 127 VAL MGY 5.50 (# 4188:20 Unique 2.13, 3.70 A)
&rst
ixpk= 4188, nxpk= 20, iat=2062, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 24 TRP HN 127 VAL MGY 5.50 (# 4189:20 Unique 3.93, 6.13 A)
&rst
ixpk= 4189, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 128 SER HN 127 VAL MGY 5.50 (# 4190:20 Unique 1.94, 4.11 A)
&rst
ixpk= 4190, nxpk= 20, iat=2078, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 0 AMB 20-2:4191 127 VAL MGY 4.50 (# 4191:20 Single Ambig)
&rst
ixpk= 4191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2142,2151, 364,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 0 AMB 20-2:4192 127 VAL MGY 4.50 (# 4192:20 Single Ambig)
&rst
ixpk= 4192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2144,2149,2027,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 0 AMB 20-2:4193 127 VAL MGY 5.50 (# 4193:20 Single Ambig)
&rst
ixpk= 4193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2040, 358,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL HA 127 VAL MGY 4.50 (# 4194:20 Unique 2.06, 3.45 A)
&rst
ixpk= 4194, nxpk= 20, iat=2064, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 24 TRP HB+ 127 VAL MGY 5.50 (# 4195:20 Unique 1.98, 4.43 A)
&rst
ixpk= 4195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 360, 361,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 24 TRP HB- 127 VAL MGY 5.50 (# 4196:20 Unique 1.98, 4.43 A)
&rst
ixpk= 4196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 360, 361,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 0 AMB 20-2:4197 127 VAL MGY 5.50 (# 4197:20 Single Ambig)
&rst
ixpk= 4197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2138,2139,2138,2139,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 0 AMB 20-2:4198 127 VAL MGY 3.50 (# 4198:20 Single Ambig)
&rst
ixpk= 4198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2159,2160,2066,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 0 AMB 20-2:4199 127 VAL MGY 4.50 (# 4199:20 Single Ambig)
&rst
ixpk= 4199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2021,2022,2459,2460,2461,
igr2=2068,2069,2070,2072,2073,2074,
&end
#
# 22 VAL MGY 14 VAL MGY 3.50 (# 4201:20 Unique 2.08, 6.17 A)
&rst
ixpk= 4201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 129 TYR HA 128 SER HA 5.50 (# 4202:20 Unique 4.29, 4.35 A)
&rst
ixpk= 4202, nxpk= 20, iat=2091,2080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4203 128 SER HA 4.50 (# 4203:20 Single Ambig)
&rst
ixpk= 4203, nxpk= 20, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2082,2083,2082,2083,
&end
#
# 128 SER HN 128 SER HA 5.50 (# 4205:20 Unique 2.72, 2.77 A)
&rst
ixpk= 4205, nxpk= 20, iat=2078,2080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 TYR HN 128 SER HA 4.50 (# 4206:20 Unique 2.20, 2.46 A)
&rst
ixpk= 4206, nxpk= 20, iat=2089,2080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 TYR HN 0 AMB 20-1:4207 4.50 (# 4207:20 Single Ambig)
&rst
ixpk= 4207, nxpk= 20, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2082,2083,2082,2083,
&end
#
# 128 SER HN 0 AMB 20-1:4208 3.50 (# 4208:20 Single Ambig)
&rst
ixpk= 4208, nxpk= 20, iat=2078, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2082,2083,2082,2083,
&end
#
# 131 TYR HN 0 AMB 20-1:4209 5.50 (# 4209:20 Single Ambig)
&rst
ixpk= 4209, nxpk= 20, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2082,2083,2082,2083,
&end
#
# 130 TRP HN 0 AMB 20-1:4210 5.50 (# 4210:20 Single Ambig)
&rst
ixpk= 4210, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2082,2083,2082,2083,
&end
#
# 128 SER HA 0 AMB 20-1:4212 3.50 (# 4212:20 Single Ambig)
&rst
ixpk= 4212, nxpk= 20, iat=2080, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2082,2083,2082,2083,
&end
#
# 130 TRP HB- 0 AMB 20-1:4213 5.50 (# 4213:20 Single Ambig)
&rst
ixpk= 4213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2114,2115,
igr2=2082,2083,2082,2083,
&end
#
# 131 TYR HB- 0 AMB 20-1:4214 5.50 (# 4214:20 Single Ambig)
&rst
ixpk= 4214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2138,2139,
igr2=2082,2083,2082,2083,
&end
#
# 0 AMB 20-2:4215 0 AMB 20-1:4215 5.50 (# 4215:20 Double Ambig)
&rst
ixpk= 4215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2066,2159,2160,
igr2=2082,2083,2082,2083,
&end
#
# 127 VAL MGX 0 AMB 20-1:4216 5.50 (# 4216:20 Single Ambig)
&rst
ixpk= 4216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2082,2083,2082,2083,
&end
#
# 127 VAL MGY 0 AMB 20-1:4217 5.50 (# 4217:20 Single Ambig)
&rst
ixpk= 4217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2082,2083,2082,2083,
&end
#
# 22 VAL MGX 129 TYR HA 4.50 (# 4218:20 Unique 2.00, 4.72 A)
&rst
ixpk= 4218, nxpk= 20, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 148 MET ME 129 TYR HA 5.50 (# 4219:20 Unique 2.60, 4.32 A)
&rst
ixpk= 4219, nxpk= 20, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2459,2460,2461,
&end
#
# 129 TYR HB- 129 TYR HA 5.50 (# 4220:20 Unique 2.59, 2.83 A)
&rst
ixpk= 4220, nxpk= 20, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2093,2094,
&end
#
# 129 TYR HB+ 129 TYR HA 5.50 (# 4221:20 Unique 2.59, 2.83 A)
&rst
ixpk= 4221, nxpk= 20, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2093,2094,
&end
#
# 129 TYR HD 129 TYR HA 5.50 (# 4222:20 Unique 1.85, 3.28 A)
&rst
ixpk= 4222, nxpk= 20, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2097,2106,
&end
#
# 130 TRP HN 129 TYR HA 5.50 (# 4223:20 Unique 2.20, 2.94 A)
&rst
ixpk= 4223, nxpk= 20, iat=2110,2091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 TYR HN 129 TYR HA 4.50 (# 4224:20 Unique 2.27, 2.84 A)
&rst
ixpk= 4224, nxpk= 20, iat=2089,2091, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 TYR HB- 128 SER HA 5.50 (# 4225:20 Unique 3.87, 4.81 A)
&rst
ixpk= 4225, nxpk= 20, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2093,2094,
&end
#
# 131 TYR HD 0 AMB 20-1:4226 5.50 (# 4226:20 Single Ambig)
&rst
ixpk= 4226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2142,2151,
igr2=2082,2083,2082,2083,
&end
#
# 129 TYR HN 129 TYR HB+ 5.50 (# 4227:20 Unique 2.08, 2.68 A)
&rst
ixpk= 4227, nxpk= 20, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2093,2094,
&end
#
# 129 TYR HN 129 TYR HB- 5.50 (# 4228:20 Unique 2.08, 2.68 A)
&rst
ixpk= 4228, nxpk= 20, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2093,2094,
&end
#
# 130 TRP HN 129 TYR HB- 5.50 (# 4229:20 Unique 2.11, 3.58 A)
&rst
ixpk= 4229, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2093,2094,
&end
#
# 130 TRP HN 129 TYR HB+ 5.50 (# 4230:20 Unique 2.11, 3.58 A)
&rst
ixpk= 4230, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2093,2094,
&end
#
# 129 TYR HD 129 TYR HB+ 5.50 (# 4231:20 Unique 2.30, 3.06 A)
&rst
ixpk= 4231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2097,2106,
igr2=2093,2094,
&end
#
# 129 TYR HD 129 TYR HB- 5.50 (# 4232:20 Unique 2.30, 3.06 A)
&rst
ixpk= 4232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2097,2106,
igr2=2093,2094,
&end
#
# 129 TYR HA 129 TYR HB+ 5.50 (# 4233:20 Unique 2.59, 2.83 A)
&rst
ixpk= 4233, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2093,2094,
&end
#
# 129 TYR HA 129 TYR HB- 5.50 (# 4234:20 Unique 2.59, 2.83 A)
&rst
ixpk= 4234, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2093,2094,
&end
#
# 22 VAL MGY 129 TYR HB- 5.50 (# 4235:20 Unique 4.19, 7.00 A)
&rst
ixpk= 4235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 329, 330, 331, 333, 334, 335,
igr2=2093,2094,
&end
#
# 0 AMB 20-2:4236 0 AMB 20-1:4236 5.50 (# 4236:20 Double Ambig)
&rst
ixpk= 4236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.21, r4=12.71,
igr1= 329, 330, 331, 333, 334, 335, 329, 330, 331, 333,
334, 335, 949, 950,1006,1007,1008,1010,1011,1012,
igr2=2093,2094,2093,2094, 843, 844,
&end
#
# 130 TRP HB- 130 TRP HA 5.50 (# 4237:20 Unique 2.31, 2.68 A)
&rst
ixpk= 4237, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2114,2115,
&end
#
# 0 AMB 20-2:4238 130 TRP HA 5.50 (# 4238:20 Single Ambig)
&rst
ixpk= 4238, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2114,2115,2156,2157,
&end
#
# 129 TYR HD 130 TRP HA 5.50 (# 4239:20 Unique 3.39, 5.71 A)
&rst
ixpk= 4239, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2097,2106,
&end
#
# 130 TRP HN 130 TRP HA 5.50 (# 4240:20 Unique 2.28, 2.67 A)
&rst
ixpk= 4240, nxpk= 20, iat=2110,2112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ILE HN 7 TYR HA 5.50 (# 4241:20 Unique 3.66, 4.12 A)
&rst
ixpk= 4241, nxpk= 20, iat=1512, 85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TRP HN 130 TRP HB+ 5.50 (# 4242:20 Unique 2.70, 3.55 A)
&rst
ixpk= 4242, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2114,2115,
&end
#
# 130 TRP HN 130 TRP HB- 5.50 (# 4243:20 Unique 2.70, 3.55 A)
&rst
ixpk= 4243, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2114,2115,
&end
#
# 130 TRP HD1 130 TRP HB- 5.50 (# 4244:20 Unique 2.55, 3.16 A)
&rst
ixpk= 4244, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2114,2115,
&end
#
# 130 TRP HD1 130 TRP HB+ 5.50 (# 4245:20 Unique 2.55, 3.16 A)
&rst
ixpk= 4245, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2114,2115,
&end
#
# 130 TRP HA 130 TRP HB+ 5.50 (# 4248:20 Unique 2.31, 2.68 A)
&rst
ixpk= 4248, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2114,2115,
&end
#
# 130 TRP HA 130 TRP HB- 5.50 (# 4249:20 Unique 2.31, 2.68 A)
&rst
ixpk= 4249, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2114,2115,
&end
#
# 133 VAL MGY 130 TRP HB+ 5.50 (# 4250:20 Unique 1.94, 5.26 A)
&rst
ixpk= 4250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2175,2176,2177,2179,2180,2181,
igr2=2114,2115,
&end
#
# 131 TYR HB- 131 TYR HA 4.50 (# 4251:20 Unique 2.34, 2.70 A)
&rst
ixpk= 4251, nxpk= 20, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2138,2139,
&end
#
# 0 AMB 20-2:4252 0 AMB 20-1:4252 5.50 (# 4252:20 Double Ambig)
&rst
ixpk= 4252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1=2273,2274,1281,1282,2195,2196,2195,2196,
igr2=2262,2263,2262,2263,2262,2263,2262,2263,
&end
#
# 0 AMB 20-2:4253 131 TYR HA 5.50 (# 4253:20 Single Ambig)
&rst
ixpk= 4253, nxpk= 20, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2156,2157,2114,2115,
&end
#
# 132 PRO HD+ 131 TYR HA 5.50 (# 4254:20 Unique 3.71, 3.90 A)
&rst
ixpk= 4254, nxpk= 20, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2156,2157,
&end
#
# 131 TYR HD 131 TYR HA 5.50 (# 4255:20 Unique 3.06, 3.66 A)
&rst
ixpk= 4255, nxpk= 20, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2142,2151,
&end
#
# 131 TYR HN 131 TYR HA 5.50 (# 4256:20 Unique 2.83, 2.86 A)
&rst
ixpk= 4256, nxpk= 20, iat=2134,2136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 TYR HN 131 TYR HB+ 5.50 (# 4257:20 Unique 2.26, 2.58 A)
&rst
ixpk= 4257, nxpk= 20, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2138,2139,
&end
#
# 131 TYR HN 131 TYR HB- 5.50 (# 4258:20 Unique 2.26, 2.58 A)
&rst
ixpk= 4258, nxpk= 20, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2138,2139,
&end
#
# 131 TYR HD 131 TYR HB+ 5.50 (# 4259:20 Unique 2.30, 3.05 A)
&rst
ixpk= 4259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2142,2151,
igr2=2138,2139,
&end
#
# 131 TYR HD 131 TYR HB- 5.50 (# 4260:20 Unique 2.30, 3.05 A)
&rst
ixpk= 4260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2142,2151,
igr2=2138,2139,
&end
#
# 131 TYR HA 131 TYR HB+ 5.50 (# 4261:20 Unique 2.34, 2.70 A)
&rst
ixpk= 4261, nxpk= 20, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2138,2139,
&end
#
# 131 TYR HA 131 TYR HB- 5.50 (# 4262:20 Unique 2.34, 2.70 A)
&rst
ixpk= 4262, nxpk= 20, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2138,2139,
&end
#
# 132 PRO HD- 131 TYR HB+ 5.50 (# 4263:20 Unique 1.79, 2.97 A)
&rst
ixpk= 4263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2156,2157,
igr2=2138,2139,
&end
#
# 132 PRO HD- 131 TYR HB- 5.50 (# 4264:20 Unique 1.79, 2.97 A)
&rst
ixpk= 4264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2156,2157,
igr2=2138,2139,
&end
#
# 132 PRO HD+ 131 TYR HB+ 5.50 (# 4265:20 Unique 1.79, 2.97 A)
&rst
ixpk= 4265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2156,2157,
igr2=2138,2139,
&end
#
# 132 PRO HD+ 131 TYR HB- 5.50 (# 4266:20 Unique 1.79, 2.97 A)
&rst
ixpk= 4266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2156,2157,
igr2=2138,2139,
&end
#
# 127 VAL HB 131 TYR HB- 5.50 (# 4267:20 Unique 2.14, 3.96 A)
&rst
ixpk= 4267, nxpk= 20, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2138,2139,
&end
#
# 127 VAL MGX 131 TYR HB+ 5.50 (# 4268:20 Unique 1.98, 4.98 A)
&rst
ixpk= 4268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2138,2139,
&end
#
# 127 VAL MGX 131 TYR HB- 5.50 (# 4269:20 Unique 1.98, 4.98 A)
&rst
ixpk= 4269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2138,2139,
&end
#
# 127 VAL MGY 0 AMB 20-1:4270 5.50 (# 4270:20 Single Ambig)
&rst
ixpk= 4270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2138,2139,2138,2139,
&end
#
# 127 VAL MGY 132 PRO HA 5.50 (# 4271:20 Unique 3.20, 5.58 A)
&rst
ixpk= 4271, nxpk= 20, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 132 PRO HB- 132 PRO HA 5.50 (# 4272:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4272, nxpk= 20, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2162,2163,
&end
#
# 0 AMB 20-2:4273 132 PRO HA 5.50 (# 4273:20 Single Ambig)
&rst
ixpk= 4273, nxpk= 20, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2216,2217,2162,2163,
&end
#
# 0 AMB 20-2:4274 132 PRO HA 5.50 (# 4274:20 Single Ambig)
&rst
ixpk= 4274, nxpk= 20, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2159,2160,2066,2189,2190,
&end
#
# 135 GLN HB+ 132 PRO HA 5.50 (# 4275:20 Unique 1.87, 2.56 A)
&rst
ixpk= 4275, nxpk= 20, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2213,2214,
&end
#
# 131 TYR HD 132 PRO HA 5.50 (# 4276:20 Unique 2.67, 4.57 A)
&rst
ixpk= 4276, nxpk= 20, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2142,2151,
&end
#
# 133 VAL HN 132 PRO HA 5.50 (# 4277:20 Unique 3.23, 3.35 A)
&rst
ixpk= 4277, nxpk= 20, iat=2169,2165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4278 132 PRO HA 5.50 (# 4278:20 Single Ambig)
&rst
ixpk= 4278, nxpk= 20, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2209, 369,
&end
#
# 136 VAL HN 132 PRO HA 5.50 (# 4279:20 Unique 2.62, 3.87 A)
&rst
ixpk= 4279, nxpk= 20, iat=2226,2165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4280 132 PRO HB- 5.50 (# 4280:20 Single Ambig)
&rst
ixpk= 4280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2169,2373,2378,
igr2=2162,2163,
&end
#
# 0 AMB 20-2:4281 0 AMB 20-1:4281 5.50 (# 4281:20 Double Ambig)
&rst
ixpk= 4281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2169,2373,2378,
igr2=2162,2163,2162,2163,2216,2217,
&end
#
# 0 AMB 20-2:4282 132 PRO HB- 5.50 (# 4282:20 Single Ambig)
&rst
ixpk= 4282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 360, 361,2171,
igr2=2162,2163,
&end
#
# 132 PRO HA 0 AMB 20-1:4283 5.50 (# 4283:20 Single Ambig)
&rst
ixpk= 4283, nxpk= 20, iat=2165, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2216,2217,2162,2163,
&end
#
# 132 PRO HA 132 PRO HB- 5.50 (# 4284:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4284, nxpk= 20, iat=2165, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2162,2163,
&end
#
# 132 PRO HG- 132 PRO HB- 5.50 (# 4285:20 Unique 2.32, 2.58 A)
&rst
ixpk= 4285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2159,2160,
igr2=2162,2163,
&end
#
# 127 VAL MGY 132 PRO HB+ 5.50 (# 4286:20 Unique 1.93, 5.09 A)
&rst
ixpk= 4286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2162,2163,
&end
#
# 127 VAL MGX 132 PRO HG- 5.50 (# 4287:20 Unique 1.96, 5.11 A)
&rst
ixpk= 4287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2159,2160,
&end
#
# 127 VAL MGX 132 PRO HG+ 5.50 (# 4288:20 Unique 1.96, 5.11 A)
&rst
ixpk= 4288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2159,2160,
&end
#
# 22 VAL MGX 132 PRO HG- 5.50 (# 4289:20 Unique 1.97, 4.15 A)
&rst
ixpk= 4289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 329, 330, 331, 333, 334, 335,
igr2=2159,2160,
&end
#
# 0 AMB 20-2:4290 132 PRO HG- 5.50 (# 4290:20 Single Ambig)
&rst
ixpk= 4290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2162,2163,2175,2176,2177,2179,2180,2181,
igr2=2159,2160,
&end
#
# 0 AMB 20-2:4291 0 AMB 20-1:4291 5.50 (# 4291:20 Double Ambig)
&rst
ixpk= 4291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=2162,2163,2175,2176,2177,2179,2180,2181,
igr2=2159,2160,2159,2160,
&end
#
# 0 AMB 20-2:4292 132 PRO HG- 5.50 (# 4292:20 Single Ambig)
&rst
ixpk= 4292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2459,2460,2461,2162,2163,
igr2=2159,2160,
&end
#
# 132 PRO HA 132 PRO HG- 5.50 (# 4293:20 Unique 3.85, 3.94 A)
&rst
ixpk= 4293, nxpk= 20, iat=2165, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2159,2160,
&end
#
# 132 PRO HD- 132 PRO HG- 5.50 (# 4294:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2156,2157,
igr2=2159,2160,
&end
#
# 132 PRO HD+ 132 PRO HG+ 5.50 (# 4295:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2156,2157,
igr2=2159,2160,
&end
#
# 132 PRO HD+ 132 PRO HG- 5.50 (# 4296:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2156,2157,
igr2=2159,2160,
&end
#
# 0 AMB 20-2:4297 132 PRO HG- 5.50 (# 4297:20 Single Ambig)
&rst
ixpk= 4297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 369,2209,
igr2=2159,2160,
&end
#
# 131 TYR HN 132 PRO HD- 5.50 (# 4298:20 Unique 1.64, 2.26 A)
&rst
ixpk= 4298, nxpk= 20, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2156,2157,
&end
#
# 131 TYR HN 132 PRO HD+ 5.50 (# 4299:20 Unique 1.64, 2.26 A)
&rst
ixpk= 4299, nxpk= 20, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2156,2157,
&end
#
# 131 TYR HB- 132 PRO HD- 5.50 (# 4300:20 Unique 1.79, 2.97 A)
&rst
ixpk= 4300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2138,2139,
igr2=2156,2157,
&end
#
# 131 TYR HB- 132 PRO HD+ 5.50 (# 4301:20 Unique 1.79, 2.97 A)
&rst
ixpk= 4301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2138,2139,
igr2=2156,2157,
&end
#
# 0 AMB 20-2:4302 0 AMB 20-1:4302 5.50 (# 4302:20 Double Ambig)
&rst
ixpk= 4302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2066,2159,2160,
igr2=2156,2157,2156,2157,
&end
#
# 0 AMB 20-2:4303 0 AMB 20-1:4303 5.50 (# 4303:20 Double Ambig)
&rst
ixpk= 4303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=2459,2460,2461,2162,2163,
igr2=2156,2157,2156,2157,
&end
#
# 0 AMB 20-2:4304 0 AMB 20-1:4304 5.50 (# 4304:20 Double Ambig)
&rst
ixpk= 4304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=2162,2163,2175,2176,2177,2179,2180,2181,
igr2=2156,2157,2156,2157,
&end
#
# 0 AMB 20-2:4305 132 PRO HD- 5.50 (# 4305:20 Single Ambig)
&rst
ixpk= 4305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2459,2460,2461,2162,2163,
igr2=2156,2157,
&end
#
# 0 AMB 20-2:4306 132 PRO HD- 5.50 (# 4306:20 Single Ambig)
&rst
ixpk= 4306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2162,2163,2175,2176,2177,2179,2180,2181,
igr2=2156,2157,
&end
#
# 127 VAL MGX 132 PRO HD- 5.50 (# 4307:20 Unique 1.98, 4.64 A)
&rst
ixpk= 4307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2156,2157,
&end
#
# 127 VAL MGX 132 PRO HD+ 5.50 (# 4308:20 Unique 1.98, 4.64 A)
&rst
ixpk= 4308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2156,2157,
&end
#
# 127 VAL MGY 132 PRO HD+ 5.50 (# 4309:20 Unique 1.98, 4.64 A)
&rst
ixpk= 4309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,
igr2=2156,2157,
&end
#
# 132 PRO HG- 132 PRO HD- 5.50 (# 4310:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2159,2160,
igr2=2156,2157,
&end
#
# 136 VAL MGX 133 VAL HA 5.50 (# 4311:20 Unique 2.87, 5.59 A)
&rst
ixpk= 4311, nxpk= 20, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL MGY 133 VAL HA 5.50 (# 4312:20 Unique 2.87, 5.59 A)
&rst
ixpk= 4312, nxpk= 20, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 133 VAL MGY 133 VAL HA 3.50 (# 4313:20 Unique 2.22, 3.16 A)
&rst
ixpk= 4313, nxpk= 20, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 133 VAL MGX 133 VAL HA 3.50 (# 4314:20 Unique 2.22, 3.16 A)
&rst
ixpk= 4314, nxpk= 20, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 133 VAL HB 133 VAL HA 5.50 (# 4315:20 Unique 2.40, 2.94 A)
&rst
ixpk= 4315, nxpk= 20, iat=2173,2171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 TYR HB- 133 VAL HA 5.50 (# 4316:20 Unique 2.28, 3.35 A)
&rst
ixpk= 4316, nxpk= 20, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2367,2368,
&end
#
# 133 VAL HN 133 VAL HA 5.50 (# 4317:20 Unique 2.73, 2.81 A)
&rst
ixpk= 4317, nxpk= 20, iat=2169,2171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 ARG HN 133 VAL HA 5.50 (# 4318:20 Unique 3.31, 3.41 A)
&rst
ixpk= 4318, nxpk= 20, iat=2185,2171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 ARG HN 133 VAL HB 5.50 (# 4320:20 Unique 2.86, 3.30 A)
&rst
ixpk= 4320, nxpk= 20, iat=2185,2173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 VAL HN 133 VAL HB 5.50 (# 4321:20 Unique 2.28, 2.57 A)
&rst
ixpk= 4321, nxpk= 20, iat=2169,2173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 VAL HA 133 VAL HB 5.50 (# 4322:20 Unique 2.40, 2.94 A)
&rst
ixpk= 4322, nxpk= 20, iat=2171,2173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 VAL MGX 133 VAL HB 3.50 (# 4323:20 Unique 2.24, 2.63 A)
&rst
ixpk= 4323, nxpk= 20, iat= -1,2173, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 133 VAL MGY 133 VAL HB 3.50 (# 4324:20 Unique 2.24, 2.63 A)
&rst
ixpk= 4324, nxpk= 20, iat= -1,2173, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 133 VAL HB 133 VAL MGX 4.50 (# 4325:20 Unique 2.24, 2.63 A)
&rst
ixpk= 4325, nxpk= 20, iat=2173, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 0 AMB 20-2:4326 133 VAL MGX 4.50 (# 4326:20 Single Ambig)
&rst
ixpk= 4326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2114,2115,2171,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 133 VAL HN 133 VAL MGX 4.50 (# 4327:20 Unique 2.03, 3.75 A)
&rst
ixpk= 4327, nxpk= 20, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 0 AMB 20-2:4328 0 AMB 20-1:4328 5.50 (# 4328:20 Double Ambig)
&rst
ixpk= 4328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2421,1629,2289,
igr2=2175,2176,2177,2179,2180,2181,1105,1106,1107,
&end
#
# 0 AMB 20-2:4329 0 AMB 20-1:4329 5.50 (# 4329:20 Double Ambig)
&rst
ixpk= 4329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2125,1166,
igr2=2175,2176,2177,2179,2180,2181,1105,1106,1107,
&end
#
# 133 VAL HN 133 VAL MGY 4.50 (# 4330:20 Unique 2.03, 3.75 A)
&rst
ixpk= 4330, nxpk= 20, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 133 VAL HA 133 VAL MGY 4.50 (# 4331:20 Unique 2.22, 3.16 A)
&rst
ixpk= 4331, nxpk= 20, iat=2171, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 148 MET HG+ 133 VAL MGY 5.50 (# 4332:20 Unique 1.98, 4.72 A)
&rst
ixpk= 4332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2455,2456,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 0 AMB 20-2:4333 0 AMB 20-1:4333 4.50 (# 4333:20 Double Ambig)
&rst
ixpk= 4333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=2173,2494,2495,
igr2=2175,2176,2177,2179,2180,2181,1105,1106,1107,
&end
#
# 148 MET ME 133 VAL MGY 5.50 (# 4334:20 Unique 2.31, 5.93 A)
&rst
ixpk= 4334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2459,2460,2461,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 133 VAL MGX 134 ARG HA 5.50 (# 4335:20 Unique 3.80, 5.76 A)
&rst
ixpk= 4335, nxpk= 20, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 0 AMB 20-2:4336 134 ARG HA 3.50 (# 4336:20 Single Ambig)
&rst
ixpk= 4336, nxpk= 20, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2318,2319,2192,2193,
&end
#
# 0 AMB 20-2:4337 134 ARG HA 5.50 (# 4337:20 Single Ambig)
&rst
ixpk= 4337, nxpk= 20, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2195,2196,2195,2196,2321,2322,
&end
#
# 141 ARG HD+ 134 ARG HA 5.50 (# 4338:20 Unique 2.00, 3.66 A)
&rst
ixpk= 4338, nxpk= 20, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2321,2322,
&end
#
# 141 ARG HA 134 ARG HA 5.50 (# 4339:20 Unique 3.82, 4.56 A)
&rst
ixpk= 4339, nxpk= 20, iat=2313,2187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLN HN 134 ARG HA 5.50 (# 4340:20 Unique 2.91, 3.14 A)
&rst
ixpk= 4340, nxpk= 20, iat=2209,2187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 ARG HN 134 ARG HA 4.50 (# 4341:20 Unique 2.90, 2.94 A)
&rst
ixpk= 4341, nxpk= 20, iat=2185,2187, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 ARG HN 134 ARG HB- 5.50 (# 4342:20 Unique 2.46, 3.24 A)
&rst
ixpk= 4342, nxpk= 20, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2189,2190,
&end
#
# 134 ARG HA 134 ARG HB- 5.50 (# 4343:20 Unique 2.33, 2.76 A)
&rst
ixpk= 4343, nxpk= 20, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2189,2190,
&end
#
# 0 AMB 20-2:4344 0 AMB 20-1:4344 4.50 (# 4344:20 Double Ambig)
&rst
ixpk= 4344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 424, 425,2195,2196,2195,2196,
igr2=1940,1941,2189,2190,
&end
#
# 0 AMB 20-2:4345 0 AMB 20-1:4345 3.50 (# 4345:20 Double Ambig)
&rst
ixpk= 4345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1123,1124,1123,1124,1123,1124,
igr2=1117,1118,1117,1118,1117,1118,
&end
#
# 134 ARG HN 134 ARG HG- 5.50 (# 4346:20 Unique 2.39, 3.70 A)
&rst
ixpk= 4346, nxpk= 20, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2192,2193,
&end
#
# 134 ARG HN 134 ARG HG+ 5.50 (# 4347:20 Unique 2.39, 3.70 A)
&rst
ixpk= 4347, nxpk= 20, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2192,2193,
&end
#
# 134 ARG HN 0 AMB 20-1:4348 4.50 (# 4348:20 Single Ambig)
&rst
ixpk= 4348, nxpk= 20, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2195,2196,2195,2196,
&end
#
# 135 GLN HG+ 135 GLN HA 5.50 (# 4349:20 Unique 2.17, 3.17 A)
&rst
ixpk= 4349, nxpk= 20, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2216,2217,
&end
#
# 0 AMB 20-2:4350 1 MET HA 3.50 (# 4350:20 Single Ambig)
&rst
ixpk= 4350, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 8, 9, 8, 9,
&end
#
# 0 AMB 20-2:4351 0 AMB 20-1:4351 4.50 (# 4351:20 Double Ambig)
&rst
ixpk= 4351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2209, 847, 855,
igr2=2211, 812,
&end
#
# 135 GLN HE2- 135 GLN HA 5.50 (# 4352:20 Unique 2.27, 3.53 A)
&rst
ixpk= 4352, nxpk= 20, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2221,2222,
&end
#
# 135 GLN HE2+ 135 GLN HA 5.50 (# 4353:20 Unique 2.27, 3.53 A)
&rst
ixpk= 4353, nxpk= 20, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2221,2222,
&end
#
# 135 GLN HG+ 135 GLN HB- 5.50 (# 4355:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2216,2217,
igr2=2213,2214,
&end
#
# 135 GLN HG+ 135 GLN HB+ 5.50 (# 4356:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2216,2217,
igr2=2213,2214,
&end
#
# 135 GLN HA 135 GLN HB- 5.50 (# 4357:20 Unique 2.31, 2.79 A)
&rst
ixpk= 4357, nxpk= 20, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2213,2214,
&end
#
# 135 GLN HA 135 GLN HB+ 5.50 (# 4358:20 Unique 2.31, 2.79 A)
&rst
ixpk= 4358, nxpk= 20, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2213,2214,
&end
#
# 0 AMB 20-2:4359 0 AMB 20-1:4359 5.50 (# 4359:20 Double Ambig)
&rst
ixpk= 4359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 369,2209,
igr2=2213,2214,2213,2214,
&end
#
# 0 AMB 20-2:4360 135 GLN HB- 5.50 (# 4360:20 Single Ambig)
&rst
ixpk= 4360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 369,2209,
igr2=2213,2214,
&end
#
# 136 VAL HN 135 GLN HB- 5.50 (# 4361:20 Unique 2.45, 3.39 A)
&rst
ixpk= 4361, nxpk= 20, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2213,2214,
&end
#
# 136 VAL HN 135 GLN HB+ 5.50 (# 4362:20 Unique 2.45, 3.39 A)
&rst
ixpk= 4362, nxpk= 20, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2213,2214,
&end
#
# 135 GLN HE2+ 135 GLN HB- 5.50 (# 4363:20 Unique 1.95, 3.91 A)
&rst
ixpk= 4363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2221,2222,
igr2=2213,2214,
&end
#
# 0 AMB 20-2:4364 0 AMB 20-1:4364 5.50 (# 4364:20 Double Ambig)
&rst
ixpk= 4364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 369,2209,
igr2=2216,2217,2162,2163,
&end
#
# 0 AMB 20-2:4365 0 AMB 20-1:4365 3.50 (# 4365:20 Double Ambig)
&rst
ixpk= 4365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 369,1359,
igr2=2216,2217,1363,
&end
#
# 135 GLN HE2+ 135 GLN HG+ 5.50 (# 4366:20 Unique 2.13, 3.37 A)
&rst
ixpk= 4366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2221,2222,
igr2=2216,2217,
&end
#
# 0 AMB 20-2:4367 0 AMB 20-1:4367 5.50 (# 4367:20 Double Ambig)
&rst
ixpk= 4367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2221,2222,2221,2222,
igr2=2216,2217,2162,2163,
&end
#
# 135 GLN HE2- 0 AMB 20-1:4368 5.50 (# 4368:20 Single Ambig)
&rst
ixpk= 4368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2221,2222,
igr2=2216,2217,2162,2163,
&end
#
# 135 GLN HE2- 135 GLN HG+ 5.50 (# 4369:20 Unique 2.13, 3.37 A)
&rst
ixpk= 4369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2221,2222,
igr2=2216,2217,
&end
#
# 131 TYR HE 135 GLN HG- 5.50 (# 4370:20 Unique 1.95, 4.52 A)
&rst
ixpk= 4370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2144,2149,
igr2=2216,2217,
&end
#
# 135 GLN HA 135 GLN HG+ 5.50 (# 4371:20 Unique 2.17, 3.17 A)
&rst
ixpk= 4371, nxpk= 20, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2216,2217,
&end
#
# 135 GLN HA 135 GLN HG- 5.50 (# 4372:20 Unique 2.17, 3.17 A)
&rst
ixpk= 4372, nxpk= 20, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2216,2217,
&end
#
# 0 AMB 20-2:4373 0 AMB 20-1:4373 4.50 (# 4373:20 Double Ambig)
&rst
ixpk= 4373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2213,2214,2213,2214,
igr2=2216,2217,2162,2163,
&end
#
# 135 GLN HB+ 135 GLN HG+ 4.50 (# 4374:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2213,2214,
igr2=2216,2217,
&end
#
# 136 VAL MGX 136 VAL HA 4.50 (# 4375:20 Unique 1.99, 3.43 A)
&rst
ixpk= 4375, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL MGY 136 VAL HA 3.50 (# 4376:20 Unique 1.99, 3.43 A)
&rst
ixpk= 4376, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 137 VAL MGY 136 VAL HA 5.50 (# 4377:20 Unique 3.22, 5.48 A)
&rst
ixpk= 4377, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 136 VAL HB 136 VAL HA 4.50 (# 4378:20 Unique 2.38, 2.53 A)
&rst
ixpk= 4378, nxpk= 20, iat=2230,2228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 TRP HZ2 136 VAL HA 5.50 (# 4379:20 Unique 2.61, 3.69 A)
&rst
ixpk= 4379, nxpk= 20, iat= 369,2228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 VAL HN 136 VAL HA 4.50 (# 4380:20 Unique 2.71, 2.85 A)
&rst
ixpk= 4380, nxpk= 20, iat=2226,2228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 VAL HN 136 VAL HA 3.50 (# 4381:20 Unique 2.19, 2.70 A)
&rst
ixpk= 4381, nxpk= 20, iat=2242,2228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:4382 136 VAL HB 4.50 (# 4382:20 Single Ambig)
&rst
ixpk= 4382, nxpk= 20, iat= -1,2230, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2226,2311,
&end
#
# 136 VAL HA 136 VAL HB 5.50 (# 4384:20 Unique 2.38, 2.53 A)
&rst
ixpk= 4384, nxpk= 20, iat=2228,2230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 VAL MGX 136 VAL HB 5.50 (# 4385:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4385, nxpk= 20, iat= -1,2230, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4386 136 VAL HB 3.50 (# 4386:20 Single Ambig)
&rst
ixpk= 4386, nxpk= 20, iat= -1,2230, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2296,2297,2248,2249,2250,2252,2253,2254,2232,2233,
2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4387 136 VAL MGX 5.50 (# 4387:20 Single Ambig)
&rst
ixpk= 4387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2363, 510,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 137 VAL HN 136 VAL MGX 5.50 (# 4388:20 Unique 1.89, 4.20 A)
&rst
ixpk= 4388, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4389 136 VAL MGX 5.50 (# 4389:20 Single Ambig)
&rst
ixpk= 4389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2289,1629,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL HN 136 VAL MGX 4.50 (# 4390:20 Unique 1.77, 3.39 A)
&rst
ixpk= 4390, nxpk= 20, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4391 136 VAL MGX 5.50 (# 4391:20 Single Ambig)
&rst
ixpk= 4391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 369,2209,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 144 TYR HD 136 VAL MGX 5.50 (# 4392:20 Unique 1.95, 4.75 A)
&rst
ixpk= 4392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2371,2380,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4393 136 VAL MGX 5.50 (# 4393:20 Single Ambig)
&rst
ixpk= 4393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 371,2373,2378,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL HA 136 VAL MGX 5.50 (# 4394:20 Unique 1.99, 3.43 A)
&rst
ixpk= 4394, nxpk= 20, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4395 136 VAL MGX 5.50 (# 4395:20 Single Ambig)
&rst
ixpk= 4395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2187,2244,2211,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 141 ARG HA 136 VAL MGX 4.50 (# 4396:20 Unique 1.98, 3.92 A)
&rst
ixpk= 4396, nxpk= 20, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 144 TYR HB+ 136 VAL MGX 5.50 (# 4397:20 Unique 2.07, 4.56 A)
&rst
ixpk= 4397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2367,2368,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4398 136 VAL MGX 5.50 (# 4398:20 Single Ambig)
&rst
ixpk= 4398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 555, 556,2367,2368,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL HB 136 VAL MGX 4.50 (# 4399:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4399, nxpk= 20, iat=2230, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 135 GLN HB+ 136 VAL MGX 5.50 (# 4400:20 Unique 3.59, 5.96 A)
&rst
ixpk= 4400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2213,2214,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 141 ARG HB+ 136 VAL MGX 5.50 (# 4401:20 Unique 2.12, 5.40 A)
&rst
ixpk= 4401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2315,2316,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4402 136 VAL MGX 4.50 (# 4402:20 Single Ambig)
&rst
ixpk= 4402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2318,2319,2315,2316,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 141 ARG HG- 136 VAL MGX 5.50 (# 4403:20 Unique 1.95, 5.95 A)
&rst
ixpk= 4403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2318,2319,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4404 136 VAL MGX 5.50 (# 4404:20 Single Ambig)
&rst
ixpk= 4404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 514, 515,2299,2300,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 140 LYS HB- 136 VAL MGX 5.50 (# 4405:20 Unique 1.94, 4.78 A)
&rst
ixpk= 4405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2293,2294,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 132 PRO HB- 136 VAL MGX 5.50 (# 4406:20 Unique 2.54, 5.69 A)
&rst
ixpk= 4406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2162,2163,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4407 136 VAL MGX 5.50 (# 4407:20 Single Ambig)
&rst
ixpk= 4407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
igr1= 329, 330, 331, 333, 334, 335, 329, 330, 331, 333,
334, 335,1349,1350,1351,1353,1354,1355,1349,1350,
1351,1353,1354,1355,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 137 VAL HN 136 VAL MGY 3.50 (# 4408:20 Unique 1.89, 4.20 A)
&rst
ixpk= 4408, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4409 136 VAL MGY 5.50 (# 4409:20 Single Ambig)
&rst
ixpk= 4409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2289,1629,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL HN 136 VAL MGY 4.50 (# 4410:20 Unique 1.77, 3.39 A)
&rst
ixpk= 4410, nxpk= 20, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4411 136 VAL MGY 5.50 (# 4411:20 Single Ambig)
&rst
ixpk= 4411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 369,2209,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 144 TYR HE 136 VAL MGY 4.50 (# 4412:20 Unique 2.14, 5.48 A)
&rst
ixpk= 4412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2373,2378,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 144 TYR HD 136 VAL MGY 4.50 (# 4413:20 Unique 1.95, 4.75 A)
&rst
ixpk= 4413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2371,2380,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL HA 136 VAL MGY 4.50 (# 4414:20 Unique 1.99, 3.43 A)
&rst
ixpk= 4414, nxpk= 20, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 137 VAL HA 136 VAL MGY 5.50 (# 4415:20 Unique 4.21, 6.07 A)
&rst
ixpk= 4415, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 141 ARG HA 136 VAL MGY 5.50 (# 4416:20 Unique 1.98, 3.92 A)
&rst
ixpk= 4416, nxpk= 20, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4417 136 VAL MGY 5.50 (# 4417:20 Single Ambig)
&rst
ixpk= 4417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2260, 503, 504,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 20-2:4418 136 VAL MGY 5.50 (# 4418:20 Single Ambig)
&rst
ixpk= 4418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2321,2322,2195,2196,2195,2196,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL HB 136 VAL MGY 3.50 (# 4419:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4419, nxpk= 20, iat=2230, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2232,2233,2234,2236,2237,2238,
&end
#
# 137 VAL MGY 137 VAL HA 4.50 (# 4420:20 Unique 2.02, 3.13 A)
&rst
ixpk= 4420, nxpk= 20, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 137 VAL MGX 137 VAL HA 4.50 (# 4421:20 Unique 2.02, 3.13 A)
&rst
ixpk= 4421, nxpk= 20, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 137 VAL HB 137 VAL HA 3.50 (# 4422:20 Unique 2.91, 2.99 A)
&rst
ixpk= 4422, nxpk= 20, iat=2246,2244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 VAL HN 137 VAL HA 5.50 (# 4423:20 Unique 2.28, 2.60 A)
&rst
ixpk= 4423, nxpk= 20, iat=2242,2244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 SER HN 137 VAL HA 3.50 (# 4424:20 Unique 2.17, 2.42 A)
&rst
ixpk= 4424, nxpk= 20, iat=2258,2244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:4425 0 AMB 20-1:4425 3.50 (# 4425:20 Double Ambig)
&rst
ixpk= 4425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=2296,2297,2248,2249,2250,2252,2253,2254,2232,2233,
2234,2236,2237,2238,
igr2=2230,2246,
&end
#
# 137 VAL HA 137 VAL HB 4.50 (# 4426:20 Unique 2.91, 2.99 A)
&rst
ixpk= 4426, nxpk= 20, iat=2244,2246, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 ARG HN 0 AMB 20-1:4427 4.50 (# 4427:20 Single Ambig)
&rst
ixpk= 4427, nxpk= 20, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2246,2230,
&end
#
# 137 VAL HN 136 VAL HB 4.50 (# 4428:20 Unique 1.92, 3.26 A)
&rst
ixpk= 4428, nxpk= 20, iat=2242,2230, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 VAL MGY 0 AMB 20-1:4429 4.50 (# 4429:20 Single Ambig)
&rst
ixpk= 4429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2248,2249,2250,2252,2253,2254,
igr2=2230,2246,
&end
#
# 138 SER HN 137 VAL MGX 5.50 (# 4430:20 Unique 1.93, 3.77 A)
&rst
ixpk= 4430, nxpk= 20, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 138 SER HN 137 VAL MGY 4.50 (# 4431:20 Unique 1.93, 3.77 A)
&rst
ixpk= 4431, nxpk= 20, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 137 VAL HN 137 VAL MGY 4.50 (# 4432:20 Unique 1.94, 3.89 A)
&rst
ixpk= 4432, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 137 VAL HN 137 VAL MGX 4.50 (# 4433:20 Unique 1.94, 3.89 A)
&rst
ixpk= 4433, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 140 LYS HN 137 VAL MGX 5.50 (# 4435:20 Unique 1.99, 4.15 A)
&rst
ixpk= 4435, nxpk= 20, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 139 PHE HD 137 VAL MGX 5.50 (# 4436:20 Unique 1.98, 5.95 A)
&rst
ixpk= 4436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2277,2285,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 139 PHE HE 137 VAL MGX 4.50 (# 4437:20 Unique 2.01, 6.31 A)
&rst
ixpk= 4437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2279,2283,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 139 PHE HD 137 VAL MGY 5.50 (# 4438:20 Unique 1.98, 5.95 A)
&rst
ixpk= 4438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2277,2285,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 139 PHE HE 137 VAL MGY 3.50 (# 4439:20 Unique 2.01, 6.31 A)
&rst
ixpk= 4439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2279,2283,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 136 VAL HA 137 VAL MGY 5.50 (# 4440:20 Unique 3.22, 5.48 A)
&rst
ixpk= 4440, nxpk= 20, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 136 VAL HA 137 VAL MGX 5.50 (# 4441:20 Unique 3.22, 5.48 A)
&rst
ixpk= 4441, nxpk= 20, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 137 VAL HA 137 VAL MGX 4.50 (# 4442:20 Unique 2.02, 3.13 A)
&rst
ixpk= 4442, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 137 VAL HA 137 VAL MGY 3.50 (# 4443:20 Unique 2.02, 3.13 A)
&rst
ixpk= 4443, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 20-2:4444 137 VAL MGX 5.50 (# 4444:20 Single Ambig)
&rst
ixpk= 4444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2260, 503, 504,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 20-2:4445 137 VAL MGY 5.50 (# 4445:20 Single Ambig)
&rst
ixpk= 4445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2260, 503, 504,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 20-2:4446 137 VAL MGX 5.50 (# 4446:20 Single Ambig)
&rst
ixpk= 4446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2302,2303,2302,2303,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 20-2:4447 137 VAL MGY 5.50 (# 4447:20 Single Ambig)
&rst
ixpk= 4447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2302,2303,2302,2303,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 20-2:4450 137 VAL MGX 2.80 (# 4450:20 Single Ambig)
&rst
ixpk= 4450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2230,2246,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 20-2:4451 137 VAL MGY 3.50 (# 4451:20 Single Ambig)
&rst
ixpk= 4451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2230,2246,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 20-2:4452 137 VAL MGY 5.50 (# 4452:20 Single Ambig)
&rst
ixpk= 4452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2293,2294,2299,2300,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 20-2:4453 137 VAL MGX 5.50 (# 4453:20 Single Ambig)
&rst
ixpk= 4453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2293,2294,2299,2300,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 140 LYS HD- 137 VAL MGX 5.50 (# 4455:20 Unique 2.05, 5.29 A)
&rst
ixpk= 4455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2299,2300,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 140 LYS HB- 137 VAL MGX 5.50 (# 4456:20 Unique 1.93, 3.85 A)
&rst
ixpk= 4456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2293,2294,
igr2=2248,2249,2250,2252,2253,2254,
&end
#
# 22 VAL MGX 14 VAL HA 5.50 (# 4457:20 Unique 2.78, 5.86 A)
&rst
ixpk= 4457, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:4458 0 AMB 20-1:4458 5.50 (# 4458:20 Double Ambig)
&rst
ixpk= 4458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2315,2316, 218,
igr2=2260, 200,
&end
#
# 141 ARG HG- 138 SER HA 5.50 (# 4459:20 Unique 2.34, 4.21 A)
&rst
ixpk= 4459, nxpk= 20, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2318,2319,
&end
#
# 0 AMB 20-2:4460 138 SER HA 5.50 (# 4460:20 Single Ambig)
&rst
ixpk= 4460, nxpk= 20, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2318,2319,2315,2316,
&end
#
# 141 ARG HD- 138 SER HA 5.50 (# 4461:20 Unique 1.93, 3.30 A)
&rst
ixpk= 4461, nxpk= 20, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2321,2322,
&end
#
# 138 SER HB- 138 SER HA 4.50 (# 4463:20 Unique 2.26, 2.59 A)
&rst
ixpk= 4463, nxpk= 20, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2262,2263,
&end
#
# 138 SER HN 138 SER HA 5.50 (# 4465:20 Unique 2.74, 2.85 A)
&rst
ixpk= 4465, nxpk= 20, iat=2258,2260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 SER HN 138 SER HB+ 5.50 (# 4466:20 Unique 2.09, 3.02 A)
&rst
ixpk= 4466, nxpk= 20, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2262,2263,
&end
#
# 138 SER HN 138 SER HB- 5.50 (# 4467:20 Unique 2.09, 3.02 A)
&rst
ixpk= 4467, nxpk= 20, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2262,2263,
&end
#
# 138 SER HA 138 SER HB+ 5.50 (# 4468:20 Unique 2.26, 2.59 A)
&rst
ixpk= 4468, nxpk= 20, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2262,2263,
&end
#
# 138 SER HA 138 SER HB- 4.50 (# 4469:20 Unique 2.26, 2.59 A)
&rst
ixpk= 4469, nxpk= 20, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2262,2263,
&end
#
# 0 AMB 20-2:4470 138 SER HB- 5.50 (# 4470:20 Single Ambig)
&rst
ixpk= 4470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2321,2322,2273,2274,
igr2=2262,2263,
&end
#
# 0 AMB 20-2:4471 0 AMB 20-1:4471 5.50 (# 4471:20 Double Ambig)
&rst
ixpk= 4471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2321,2322,2273,2274,
igr2=2262,2263,2262,2263,
&end
#
# 0 AMB 20-2:4472 139 PHE HA 5.50 (# 4472:20 Single Ambig)
&rst
ixpk= 4472, nxpk= 20, iat= -1,2271, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2273,2274,2321,2322,
&end
#
# 139 PHE HB+ 139 PHE HA 5.50 (# 4473:20 Unique 2.23, 2.50 A)
&rst
ixpk= 4473, nxpk= 20, iat= -1,2271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2273,2274,
&end
#
# 139 PHE HD 139 PHE HA 5.50 (# 4474:20 Unique 2.97, 4.05 A)
&rst
ixpk= 4474, nxpk= 20, iat= -1,2271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2277,2285,
&end
#
# 139 PHE HN 139 PHE HA 5.50 (# 4475:20 Unique 2.82, 2.91 A)
&rst
ixpk= 4475, nxpk= 20, iat=2269,2271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 PHE HN 139 PHE HB+ 5.50 (# 4477:20 Unique 2.20, 2.98 A)
&rst
ixpk= 4477, nxpk= 20, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2273,2274,
&end
#
# 139 PHE HN 139 PHE HB- 5.50 (# 4478:20 Unique 2.20, 2.98 A)
&rst
ixpk= 4478, nxpk= 20, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2273,2274,
&end
#
# 139 PHE HD 139 PHE HB+ 4.50 (# 4479:20 Unique 2.28, 3.04 A)
&rst
ixpk= 4479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2277,2285,
igr2=2273,2274,
&end
#
# 139 PHE HD 139 PHE HB- 4.50 (# 4480:20 Unique 2.28, 3.04 A)
&rst
ixpk= 4480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2277,2285,
igr2=2273,2274,
&end
#
# 139 PHE HA 139 PHE HB+ 4.50 (# 4481:20 Unique 2.23, 2.50 A)
&rst
ixpk= 4481, nxpk= 20, iat=2271, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2273,2274,
&end
#
# 139 PHE HA 139 PHE HB- 4.50 (# 4482:20 Unique 2.23, 2.50 A)
&rst
ixpk= 4482, nxpk= 20, iat=2271, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2273,2274,
&end
#
# 80 PRO HG+ 139 PHE HB+ 5.50 (# 4483:20 Unique 2.87, 4.77 A)
&rst
ixpk= 4483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1284,1285,
igr2=2273,2274,
&end
#
# 137 VAL MGY 139 PHE HB+ 5.50 (# 4484:20 Unique 2.76, 6.49 A)
&rst
ixpk= 4484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2248,2249,2250,2252,2253,2254,
igr2=2273,2274,
&end
#
# 137 VAL MGY 139 PHE HB- 5.50 (# 4485:20 Unique 2.76, 6.49 A)
&rst
ixpk= 4485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2248,2249,2250,2252,2253,2254,
igr2=2273,2274,
&end
#
# 137 VAL MGX 139 PHE HB- 5.50 (# 4486:20 Unique 2.76, 6.49 A)
&rst
ixpk= 4486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2248,2249,2250,2252,2253,2254,
igr2=2273,2274,
&end
#
# 137 VAL MGX 139 PHE HB+ 5.50 (# 4487:20 Unique 2.76, 6.49 A)
&rst
ixpk= 4487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2248,2249,2250,2252,2253,2254,
igr2=2273,2274,
&end
#
# 140 LYS HG- 140 LYS HA 4.50 (# 4488:20 Unique 2.20, 2.94 A)
&rst
ixpk= 4488, nxpk= 20, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2296,2297,
&end
#
# 140 LYS HG+ 140 LYS HA 4.50 (# 4489:20 Unique 2.20, 2.94 A)
&rst
ixpk= 4489, nxpk= 20, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2296,2297,
&end
#
# 0 AMB 20-2:4490 140 LYS HA 5.50 (# 4490:20 Single Ambig)
&rst
ixpk= 4490, nxpk= 20, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 140 LYS HB- 140 LYS HA 5.50 (# 4491:20 Unique 2.45, 2.81 A)
&rst
ixpk= 4491, nxpk= 20, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2293,2294,
&end
#
# 0 AMB 20-2:4492 140 LYS HA 4.50 (# 4492:20 Single Ambig)
&rst
ixpk= 4492, nxpk= 20, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2299,2300,2293,2294,
&end
#
# 143 VAL HB 140 LYS HA 5.50 (# 4493:20 Unique 2.89, 3.87 A)
&rst
ixpk= 4493, nxpk= 20, iat=2351,2291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4494 140 LYS HA 5.50 (# 4494:20 Single Ambig)
&rst
ixpk= 4494, nxpk= 20, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:4495 140 LYS HA 5.50 (# 4495:20 Single Ambig)
&rst
ixpk= 4495, nxpk= 20, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2311,2279,2283,
&end
#
# 140 LYS HN 140 LYS HA 5.50 (# 4496:20 Unique 2.78, 2.86 A)
&rst
ixpk= 4496, nxpk= 20, iat=2289,2291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 VAL HN 140 LYS HA 5.50 (# 4497:20 Unique 3.35, 3.59 A)
&rst
ixpk= 4497, nxpk= 20, iat=2347,2291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 ASP HN 140 LYS HA 5.50 (# 4498:20 Unique 3.60, 4.03 A)
&rst
ixpk= 4498, nxpk= 20, iat=2335,2291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 LYS HN 140 LYS HB+ 5.50 (# 4499:20 Unique 2.07, 2.61 A)
&rst
ixpk= 4499, nxpk= 20, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2293,2294,
&end
#
# 140 LYS HN 140 LYS HB- 5.50 (# 4500:20 Unique 2.07, 2.61 A)
&rst
ixpk= 4500, nxpk= 20, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2293,2294,
&end
#
# 0 AMB 20-2:4501 0 AMB 20-1:4501 5.50 (# 4501:20 Double Ambig)
&rst
ixpk= 4501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2311,2279,2283,
igr2=2293,2294,2293,2294,
&end
#
# 0 AMB 20-2:4502 140 LYS HB- 5.50 (# 4502:20 Single Ambig)
&rst
ixpk= 4502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2311,2279,2283,
igr2=2293,2294,
&end
#
# 140 LYS HA 140 LYS HB- 5.50 (# 4503:20 Unique 2.45, 2.81 A)
&rst
ixpk= 4503, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2293,2294,
&end
#
# 140 LYS HA 140 LYS HB+ 5.50 (# 4504:20 Unique 2.45, 2.81 A)
&rst
ixpk= 4504, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2293,2294,
&end
#
# 0 AMB 20-2:4506 0 AMB 20-1:4506 4.50 (# 4506:20 Double Ambig)
&rst
ixpk= 4506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=2248,2249,2250,2252,2253,2254,2232,2233,2234,2236,
2237,2238,2296,2297,
igr2=2293,2294,2293,2294,2293,2294,
&end
#
# 0 AMB 20-2:4507 140 LYS HB- 4.50 (# 4507:20 Single Ambig)
&rst
ixpk= 4507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=2248,2249,2250,2252,2253,2254,2232,2233,2234,2236,
2237,2238,2296,2297,
igr2=2293,2294,
&end
#
# 0 AMB 20-2:4508 0 AMB 20-1:4508 5.50 (# 4508:20 Double Ambig)
&rst
ixpk= 4508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2302,2303,2302,2303,
igr2=2296,2297,2296,2297,
&end
#
# 0 AMB 20-2:4509 0 AMB 20-1:4509 5.50 (# 4509:20 Double Ambig)
&rst
ixpk= 4509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2302,2303,2302,2303,2302,2303,
igr2=2296,2297,2296,2297,2296,2297,
&end
#
# 0 AMB 20-2:4510 0 AMB 20-1:4510 5.50 (# 4510:20 Double Ambig)
&rst
ixpk= 4510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
igr1=1754,1755,2291,1763,1764,
igr2= 921, 922, 923, 925, 926, 927,2296,2297,
&end
#
# 0 AMB 20-2:4511 0 AMB 20-1:4511 5.50 (# 4511:20 Double Ambig)
&rst
ixpk= 4511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
igr1=1754,1755,2291,1763,1764,
igr2= 921, 922, 923, 925, 926, 927,2296,2297,
&end
#
# 0 AMB 20-2:4512 140 LYS HG- 5.50 (# 4512:20 Single Ambig)
&rst
ixpk= 4512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2289,1629,
igr2=2296,2297,
&end
#
# 0 AMB 20-2:4513 140 LYS HD- 5.50 (# 4513:20 Single Ambig)
&rst
ixpk= 4513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1629,2289,
igr2=2299,2300,
&end
#
# 0 AMB 20-2:4514 0 AMB 20-1:4514 5.50 (# 4514:20 Double Ambig)
&rst
ixpk= 4514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1629,2289,
igr2=2299,2300,2299,2300,
&end
#
# 140 LYS HA 140 LYS HD+ 5.50 (# 4515:20 Unique 1.99, 3.73 A)
&rst
ixpk= 4515, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2299,2300,
&end
#
# 140 LYS HA 140 LYS HD- 5.50 (# 4516:20 Unique 1.99, 3.73 A)
&rst
ixpk= 4516, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2299,2300,
&end
#
# 0 AMB 20-2:4519 0 AMB 20-1:4519 5.50 (# 4519:20 Double Ambig)
&rst
ixpk= 4519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2302,2303,2302,2303,
igr2=2299,2300,2299,2300,
&end
#
# 0 AMB 20-2:4520 140 LYS HD- 5.50 (# 4520:20 Single Ambig)
&rst
ixpk= 4520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2302,2303,2302,2303,
igr2=2299,2300,
&end
#
# 140 LYS HG- 140 LYS HD- 5.50 (# 4521:20 Unique 2.22, 2.64 A)
&rst
ixpk= 4521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2296,2297,
igr2=2299,2300,
&end
#
# 140 LYS HG- 140 LYS HD+ 4.50 (# 4522:20 Unique 2.22, 2.64 A)
&rst
ixpk= 4522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2296,2297,
igr2=2299,2300,
&end
#
# 0 AMB 20-2:4523 0 AMB 20-1:4523 4.50 (# 4523:20 Double Ambig)
&rst
ixpk= 4523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=2248,2249,2250,2252,2253,2254,2296,2297,
igr2=2299,2300,2299,2300,
&end
#
# 0 AMB 20-2:4524 140 LYS HD- 4.50 (# 4524:20 Single Ambig)
&rst
ixpk= 4524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2248,2249,2250,2252,2253,2254,2296,2297,
igr2=2299,2300,
&end
#
# 139 PHE HE 0 AMB 20-1:4525 5.50 (# 4525:20 Single Ambig)
&rst
ixpk= 4525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2279,2283,
igr2=2302,2303,2302,2303,
&end
#
# 80 PRO HD- 0 AMB 20-1:4527 4.50 (# 4527:20 Single Ambig)
&rst
ixpk= 4527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1281,1282,
igr2=2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:4528 0 AMB 20-1:4528 5.50 (# 4528:20 Double Ambig)
&rst
ixpk= 4528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2293,2294,2293,2294,2299,2300,2299,2300,
igr2=2302,2303,2302,2303,2302,2303,
&end
#
# 140 LYS HD- 0 AMB 20-1:4529 5.50 (# 4529:20 Single Ambig)
&rst
ixpk= 4529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2299,2300,
igr2=2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:4530 0 AMB 20-1:4530 5.50 (# 4530:20 Double Ambig)
&rst
ixpk= 4530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=2248,2249,2250,2252,2253,2254,1349,1350,1351,1353,
1354,1355,
igr2=2302,2303,2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:4531 0 AMB 20-1:4531 4.50 (# 4531:20 Double Ambig)
&rst
ixpk= 4531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2248,2249,2250,2252,2253,2254,2296,2297,2296,2297,
igr2=2302,2303,2302,2303,2302,2303,
&end
#
# 136 VAL MGY 141 ARG HA 5.50 (# 4532:20 Unique 1.98, 3.92 A)
&rst
ixpk= 4532, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL MGX 141 ARG HA 5.50 (# 4533:20 Unique 1.98, 3.92 A)
&rst
ixpk= 4533, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 133 VAL MGY 141 ARG HA 5.50 (# 4534:20 Unique 2.81, 6.37 A)
&rst
ixpk= 4534, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 141 ARG HG- 141 ARG HA 5.50 (# 4535:20 Unique 2.42, 3.37 A)
&rst
ixpk= 4535, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2318,2319,
&end
#
# 141 ARG HB+ 141 ARG HA 5.50 (# 4536:20 Unique 2.23, 2.59 A)
&rst
ixpk= 4536, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2315,2316,
&end
#
# 0 AMB 20-2:4537 141 ARG HA 4.50 (# 4537:20 Single Ambig)
&rst
ixpk= 4537, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2315,2316,2318,2319,
&end
#
# 144 TYR HB- 141 ARG HA 5.50 (# 4538:20 Unique 1.98, 3.23 A)
&rst
ixpk= 4538, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2367,2368,
&end
#
# 141 ARG HD- 141 ARG HA 5.50 (# 4539:20 Unique 3.74, 4.54 A)
&rst
ixpk= 4539, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2321,2322,
&end
#
# 144 TYR HB+ 141 ARG HA 5.50 (# 4540:20 Unique 1.98, 3.23 A)
&rst
ixpk= 4540, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2367,2368,
&end
#
# 144 TYR HA 141 ARG HA 5.50 (# 4541:20 Unique 4.74, 5.39 A)
&rst
ixpk= 4541, nxpk= 20, iat=2365,2313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4542 141 ARG HA 5.50 (# 4542:20 Single Ambig)
&rst
ixpk= 4542, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2386,2260,
&end
#
# 0 AMB 20-2:4544 141 ARG HA 5.50 (# 4544:20 Single Ambig)
&rst
ixpk= 4544, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2373,2378,2169,
&end
#
# 0 AMB 20-2:4545 141 ARG HA 5.50 (# 4545:20 Single Ambig)
&rst
ixpk= 4545, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2311,2226,
&end
#
# 0 AMB 20-2:4546 141 ARG HA 5.50 (# 4546:20 Single Ambig)
&rst
ixpk= 4546, nxpk= 20, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2289,1629,
&end
#
# 144 TYR HN 141 ARG HA 5.50 (# 4547:20 Unique 2.98, 3.48 A)
&rst
ixpk= 4547, nxpk= 20, iat=2363,2313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 ARG HN 141 ARG HA 5.50 (# 4548:20 Unique 3.57, 4.05 A)
&rst
ixpk= 4548, nxpk= 20, iat=2384,2313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 ARG HA 141 ARG HB+ 5.50 (# 4549:20 Unique 2.23, 2.59 A)
&rst
ixpk= 4549, nxpk= 20, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2315,2316,
&end
#
# 141 ARG HA 141 ARG HB- 5.50 (# 4550:20 Unique 2.23, 2.59 A)
&rst
ixpk= 4550, nxpk= 20, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2315,2316,
&end
#
# 0 AMB 20-2:4551 0 AMB 20-1:4551 5.50 (# 4551:20 Double Ambig)
&rst
ixpk= 4551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2260,2386,
igr2=2315,2316,2452,2453,
&end
#
# 0 AMB 20-2:4552 141 ARG HB- 5.50 (# 4552:20 Single Ambig)
&rst
ixpk= 4552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2311,2226,
igr2=2315,2316,
&end
#
# 141 ARG HN 141 ARG HB+ 5.50 (# 4553:20 Unique 2.06, 2.95 A)
&rst
ixpk= 4553, nxpk= 20, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2315,2316,
&end
#
# 141 ARG HN 141 ARG HG+ 5.50 (# 4554:20 Unique 1.91, 3.30 A)
&rst
ixpk= 4554, nxpk= 20, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2318,2319,
&end
#
# 0 AMB 20-2:4555 0 AMB 20-1:4555 5.50 (# 4555:20 Double Ambig)
&rst
ixpk= 4555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2311, 448, 452,2226,
igr2=2318,2319,1926,1927,
&end
#
# 141 ARG HA 141 ARG HG+ 5.50 (# 4556:20 Unique 2.42, 3.37 A)
&rst
ixpk= 4556, nxpk= 20, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2318,2319,
&end
#
# 141 ARG HA 141 ARG HG- 5.50 (# 4557:20 Unique 2.42, 3.37 A)
&rst
ixpk= 4557, nxpk= 20, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2318,2319,
&end
#
# 133 VAL MGX 0 AMB 20-1:4558 4.50 (# 4558:20 Single Ambig)
&rst
ixpk= 4558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2175,2176,2177,2179,2180,2181,
igr2=2394,2395,2394,2395,
&end
#
# 133 VAL MGX 0 AMB 20-1:4559 5.50 (# 4559:20 Single Ambig)
&rst
ixpk= 4559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2175,2176,2177,2179,2180,2181,
igr2=2195,2196,2195,2196,
&end
#
# 0 AMB 20-2:4560 0 AMB 20-1:4560 5.50 (# 4560:20 Double Ambig)
&rst
ixpk= 4560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2260,2386,
igr2=2321,2322,2394,2395,2394,2395,
&end
#
# 134 ARG HE 141 ARG HD+ 4.50 (# 4561:20 Unique 1.91, 3.13 A)
&rst
ixpk= 4561, nxpk= 20, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2321,2322,
&end
#
# 0 AMB 20-2:4562 0 AMB 20-1:4562 5.50 (# 4562:20 Double Ambig)
&rst
ixpk= 4562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2311,2397,
igr2=2321,2322,2394,2395,2394,2395,
&end
#
# 142 ASP HN 141 ARG HD+ 5.50 (# 4563:20 Unique 1.91, 4.20 A)
&rst
ixpk= 4563, nxpk= 20, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2321,2322,
&end
#
# 145 ARG HN 142 ASP HA 5.50 (# 4564:20 Unique 3.56, 3.81 A)
&rst
ixpk= 4564, nxpk= 20, iat=2384,2337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 ASP HN 142 ASP HA 4.50 (# 4565:20 Unique 2.68, 2.75 A)
&rst
ixpk= 4565, nxpk= 20, iat=2335,2337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 VAL HN 142 ASP HA 5.50 (# 4566:20 Unique 3.51, 3.54 A)
&rst
ixpk= 4566, nxpk= 20, iat=2347,2337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ARG HN 142 ASP HA 5.50 (# 4567:20 Unique 4.93, 5.24 A)
&rst
ixpk= 4567, nxpk= 20, iat=2408,2337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4569 142 ASP HA 5.50 (# 4569:20 Single Ambig)
&rst
ixpk= 4569, nxpk= 20, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2394,2395,2394,2395,2321,2322,
&end
#
# 0 AMB 20-2:4570 142 ASP HA 3.50 (# 4570:20 Single Ambig)
&rst
ixpk= 4570, nxpk= 20, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2339,2340,2339,2340,
&end
#
# 0 AMB 20-2:4571 142 ASP HA 4.50 (# 4571:20 Single Ambig)
&rst
ixpk= 4571, nxpk= 20, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2388,2389,2388,2389,
&end
#
# 0 AMB 20-2:4572 142 ASP HA 5.50 (# 4572:20 Single Ambig)
&rst
ixpk= 4572, nxpk= 20, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2391,2392,2318,2319,
&end
#
# 145 ARG HG- 142 ASP HA 5.50 (# 4573:20 Unique 1.99, 4.50 A)
&rst
ixpk= 4573, nxpk= 20, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2391,2392,
&end
#
# 0 AMB 20-2:4574 142 ASP HA 5.50 (# 4574:20 Single Ambig)
&rst
ixpk= 4574, nxpk= 20, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2175,2176,2177,2179,2180,2181,2353,2354,2355,2357,
2358,2359,2353,2354,2355,2357,2358,2359,
&end
#
# 142 ASP HA 0 AMB 20-1:4575 3.50 (# 4575:20 Single Ambig)
&rst
ixpk= 4575, nxpk= 20, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2339,2340,2339,2340,
&end
#
# 0 AMB 20-2:4576 0 AMB 20-1:4576 5.50 (# 4576:20 Double Ambig)
&rst
ixpk= 4576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2384,1207,
igr2=2339,2340,2339,2340, 68, 69,
&end
#
# 144 TYR HN 143 VAL HA 5.50 (# 4577:20 Unique 3.52, 3.56 A)
&rst
ixpk= 4577, nxpk= 20, iat=2363,2349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 VAL HN 143 VAL HA 5.50 (# 4578:20 Unique 4.45, 4.79 A)
&rst
ixpk= 4578, nxpk= 20, iat=2432,2349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 VAL HN 143 VAL HA 5.50 (# 4579:20 Unique 2.76, 2.83 A)
&rst
ixpk= 4579, nxpk= 20, iat=2347,2349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ARG HN 143 VAL HA 5.50 (# 4580:20 Unique 3.40, 3.66 A)
&rst
ixpk= 4580, nxpk= 20, iat=2408,2349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4582 143 VAL HA 5.50 (# 4582:20 Single Ambig)
&rst
ixpk= 4582, nxpk= 20, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2339,2340,2339,2340,
&end
#
# 143 VAL HB 143 VAL HA 5.50 (# 4583:20 Unique 2.42, 2.97 A)
&rst
ixpk= 4583, nxpk= 20, iat=2351,2349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4584 143 VAL HA 4.50 (# 4584:20 Single Ambig)
&rst
ixpk= 4584, nxpk= 20, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2412,2413,2412,2413,2415,2416,
&end
#
# 0 AMB 20-2:4585 143 VAL HA 5.50 (# 4585:20 Single Ambig)
&rst
ixpk= 4585, nxpk= 20, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2391,2392,2318,2319,2315,2316,2475,2476,
&end
#
# 0 AMB 20-2:4586 143 VAL HA 3.50 (# 4586:20 Single Ambig)
&rst
ixpk= 4586, nxpk= 20, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 0 AMB 20-2:4587 143 VAL HA 5.50 (# 4587:20 Single Ambig)
&rst
ixpk= 4587, nxpk= 20, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 147 VAL MGY 143 VAL HA 5.50 (# 4588:20 Unique 4.20, 6.87 A)
&rst
ixpk= 4588, nxpk= 20, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4589 143 VAL HB 2.80 (# 4589:20 Single Ambig)
&rst
ixpk= 4589, nxpk= 20, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 143 VAL HA 143 VAL HB 5.50 (# 4590:20 Unique 2.42, 2.97 A)
&rst
ixpk= 4590, nxpk= 20, iat=2349,2351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 VAL HN 143 VAL HB 3.50 (# 4591:20 Unique 2.35, 2.52 A)
&rst
ixpk= 4591, nxpk= 20, iat=2347,2351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 TRP HE1 143 VAL MGX 5.50 (# 4592:20 Unique 2.39, 4.71 A)
&rst
ixpk= 4592, nxpk= 20, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 144 TYR HN 143 VAL MGX 5.50 (# 4593:20 Unique 1.94, 4.18 A)
&rst
ixpk= 4593, nxpk= 20, iat=2363, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 147 VAL HN 143 VAL MGX 5.50 (# 4594:20 Unique 3.97, 6.15 A)
&rst
ixpk= 4594, nxpk= 20, iat=2432, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 143 VAL HN 143 VAL MGX 5.50 (# 4595:20 Unique 1.87, 3.79 A)
&rst
ixpk= 4595, nxpk= 20, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 99 TRP HZ2 143 VAL MGX 5.50 (# 4596:20 Unique 2.08, 4.50 A)
&rst
ixpk= 4596, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 77 TYR HD 143 VAL MGX 5.50 (# 4597:20 Unique 2.00, 4.99 A)
&rst
ixpk= 4597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1226,1235,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 77 TYR HE 143 VAL MGX 5.50 (# 4598:20 Unique 1.99, 5.04 A)
&rst
ixpk= 4598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1228,1233,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 0 AMB 20-2:4599 143 VAL MGX 4.50 (# 4599:20 Single Ambig)
&rst
ixpk= 4599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2371,2380,1624,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 143 VAL HA 143 VAL MGX 4.50 (# 4600:20 Unique 2.22, 3.15 A)
&rst
ixpk= 4600, nxpk= 20, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 0 AMB 20-2:4601 143 VAL MGX 5.50 (# 4601:20 Single Ambig)
&rst
ixpk= 4601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2418,2419,2418,2419,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 0 AMB 20-2:4602 143 VAL MGX 5.50 (# 4602:20 Single Ambig)
&rst
ixpk= 4602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2302,2303,2302,2303,2339,2340,2339,2340,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 143 VAL HB 143 VAL MGX 3.50 (# 4603:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4603, nxpk= 20, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 0 AMB 20-2:4604 143 VAL MGX 4.50 (# 4604:20 Single Ambig)
&rst
ixpk= 4604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2412,2413,2412,2413,2415,2416,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 75 LEU HB- 143 VAL MGX 5.50 (# 4605:20 Unique 2.75, 5.31 A)
&rst
ixpk= 4605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1179,1180,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 147 VAL MGX 143 VAL MGX 5.50 (# 4606:20 Unique 2.18, 6.90 A)
&rst
ixpk= 4606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2438,2439,2440,2442,2443,2444,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 147 VAL MGY 143 VAL MGX 4.50 (# 4607:20 Unique 2.18, 6.90 A)
&rst
ixpk= 4607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2438,2439,2440,2442,2443,2444,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 75 LEU HB- 143 VAL MGY 5.50 (# 4608:20 Unique 2.75, 5.31 A)
&rst
ixpk= 4608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1179,1180,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 0 AMB 20-2:4609 143 VAL MGY 5.50 (# 4609:20 Single Ambig)
&rst
ixpk= 4609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2412,2413,2412,2413,2415,2416,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 143 VAL HB 143 VAL MGY 3.50 (# 4610:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4610, nxpk= 20, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 0 AMB 20-2:4611 143 VAL MGY 5.50 (# 4611:20 Single Ambig)
&rst
ixpk= 4611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2302,2303,2302,2303,2339,2340,2339,2340,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 77 TYR HB- 143 VAL MGY 5.50 (# 4612:20 Unique 2.21, 5.34 A)
&rst
ixpk= 4612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1222,1223,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 77 TYR HB+ 143 VAL MGY 5.50 (# 4613:20 Unique 2.21, 5.34 A)
&rst
ixpk= 4613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1222,1223,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 143 VAL HA 143 VAL MGY 4.50 (# 4614:20 Unique 2.22, 3.15 A)
&rst
ixpk= 4614, nxpk= 20, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 140 LYS HA 143 VAL MGY 5.50 (# 4615:20 Unique 2.27, 5.13 A)
&rst
ixpk= 4615, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 0 AMB 20-2:4616 143 VAL MGY 5.50 (# 4616:20 Single Ambig)
&rst
ixpk= 4616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1177,2271,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 77 TYR HA 143 VAL MGY 5.50 (# 4617:20 Unique 4.54, 6.90 A)
&rst
ixpk= 4617, nxpk= 20, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 77 TYR HD 143 VAL MGY 4.50 (# 4618:20 Unique 2.00, 4.99 A)
&rst
ixpk= 4618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1226,1235,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 77 TYR HE 143 VAL MGY 5.50 (# 4619:20 Unique 1.99, 5.04 A)
&rst
ixpk= 4619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1228,1233,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 0 AMB 20-2:4620 143 VAL MGY 5.50 (# 4620:20 Single Ambig)
&rst
ixpk= 4620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2277,2285,1635,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 0 AMB 20-2:4621 143 VAL MGY 5.50 (# 4621:20 Single Ambig)
&rst
ixpk= 4621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2279,2283,2311,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 99 TRP HZ2 143 VAL MGY 5.50 (# 4622:20 Unique 2.08, 4.50 A)
&rst
ixpk= 4622, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 146 ARG HN 143 VAL MGY 5.50 (# 4623:20 Unique 4.35, 5.90 A)
&rst
ixpk= 4623, nxpk= 20, iat=2408, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 143 VAL HN 143 VAL MGY 4.50 (# 4624:20 Unique 1.87, 3.79 A)
&rst
ixpk= 4624, nxpk= 20, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 144 TYR HN 143 VAL MGY 5.50 (# 4625:20 Unique 1.94, 4.18 A)
&rst
ixpk= 4625, nxpk= 20, iat=2363, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 0 AMB 20-2:4626 143 VAL MGY 5.50 (# 4626:20 Single Ambig)
&rst
ixpk= 4626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1194,1239,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 99 TRP HE1 143 VAL MGY 5.50 (# 4627:20 Unique 2.39, 4.71 A)
&rst
ixpk= 4627, nxpk= 20, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 145 ARG HN 144 TYR HA 5.50 (# 4628:20 Unique 3.45, 3.51 A)
&rst
ixpk= 4628, nxpk= 20, iat=2384,2365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 TYR HN 144 TYR HA 5.50 (# 4629:20 Unique 2.74, 2.76 A)
&rst
ixpk= 4629, nxpk= 20, iat=2363,2365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4630 144 TYR HA 5.50 (# 4630:20 Single Ambig)
&rst
ixpk= 4630, nxpk= 20, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2432,2448,
&end
#
# 144 TYR HE 144 TYR HA 5.50 (# 4631:20 Unique 4.30, 4.96 A)
&rst
ixpk= 4631, nxpk= 20, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2373,2378,
&end
#
# 144 TYR HD 144 TYR HA 5.50 (# 4632:20 Unique 2.24, 3.28 A)
&rst
ixpk= 4632, nxpk= 20, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2371,2380,
&end
#
# 144 TYR HB+ 144 TYR HA 5.50 (# 4633:20 Unique 2.78, 2.85 A)
&rst
ixpk= 4633, nxpk= 20, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2367,2368,
&end
#
# 144 TYR HB- 144 TYR HA 5.50 (# 4634:20 Unique 2.78, 2.85 A)
&rst
ixpk= 4634, nxpk= 20, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2367,2368,
&end
#
# 0 AMB 20-2:4635 144 TYR HA 5.50 (# 4635:20 Single Ambig)
&rst
ixpk= 4635, nxpk= 20, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 147 VAL MGX 144 TYR HA 5.50 (# 4636:20 Unique 1.95, 3.89 A)
&rst
ixpk= 4636, nxpk= 20, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL MGY 144 TYR HA 5.50 (# 4637:20 Unique 1.95, 3.89 A)
&rst
ixpk= 4637, nxpk= 20, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 136 VAL MGX 144 TYR HB- 5.50 (# 4638:20 Unique 2.07, 4.56 A)
&rst
ixpk= 4638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2232,2233,2234,2236,2237,2238,
igr2=2367,2368,
&end
#
# 136 VAL MGX 144 TYR HB+ 5.50 (# 4639:20 Unique 2.07, 4.56 A)
&rst
ixpk= 4639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2232,2233,2234,2236,2237,2238,
igr2=2367,2368,
&end
#
# 133 VAL MGY 144 TYR HB- 5.50 (# 4640:20 Unique 1.98, 5.49 A)
&rst
ixpk= 4640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2175,2176,2177,2179,2180,2181,
igr2=2367,2368,
&end
#
# 133 VAL MGY 144 TYR HB+ 5.50 (# 4641:20 Unique 1.98, 5.49 A)
&rst
ixpk= 4641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2175,2176,2177,2179,2180,2181,
igr2=2367,2368,
&end
#
# 144 TYR HA 144 TYR HB+ 5.50 (# 4642:20 Unique 2.78, 2.85 A)
&rst
ixpk= 4642, nxpk= 20, iat=2365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2367,2368,
&end
#
# 144 TYR HA 144 TYR HB- 5.50 (# 4643:20 Unique 2.78, 2.85 A)
&rst
ixpk= 4643, nxpk= 20, iat=2365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2367,2368,
&end
#
# 144 TYR HD 144 TYR HB+ 5.50 (# 4644:20 Unique 2.30, 3.06 A)
&rst
ixpk= 4644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2371,2380,
igr2=2367,2368,
&end
#
# 144 TYR HD 144 TYR HB- 5.50 (# 4645:20 Unique 2.30, 3.06 A)
&rst
ixpk= 4645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2371,2380,
igr2=2367,2368,
&end
#
# 144 TYR HN 144 TYR HB+ 5.50 (# 4646:20 Unique 2.07, 2.71 A)
&rst
ixpk= 4646, nxpk= 20, iat=2363, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2367,2368,
&end
#
# 144 TYR HN 144 TYR HB- 5.50 (# 4647:20 Unique 2.07, 2.71 A)
&rst
ixpk= 4647, nxpk= 20, iat=2363, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2367,2368,
&end
#
# 145 ARG HN 144 TYR HB- 5.50 (# 4648:20 Unique 2.85, 3.16 A)
&rst
ixpk= 4648, nxpk= 20, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2367,2368,
&end
#
# 145 ARG HN 145 ARG HA 5.50 (# 4650:20 Unique 2.73, 2.77 A)
&rst
ixpk= 4650, nxpk= 20, iat=2384,2386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4651 145 ARG HA 5.50 (# 4651:20 Single Ambig)
&rst
ixpk= 4651, nxpk= 20, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2448,2432,
&end
#
# 146 ARG HN 145 ARG HA 5.50 (# 4652:20 Unique 3.40, 3.48 A)
&rst
ixpk= 4652, nxpk= 20, iat=2408,2386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4654 145 ARG HA 5.50 (# 4654:20 Single Ambig)
&rst
ixpk= 4654, nxpk= 20, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2394,2395,2394,2395,
&end
#
# 0 AMB 20-2:4655 145 ARG HA 4.50 (# 4655:20 Single Ambig)
&rst
ixpk= 4655, nxpk= 20, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2388,2389,2388,2389,
&end
#
# 145 ARG HG+ 145 ARG HA 4.50 (# 4656:20 Unique 2.17, 3.15 A)
&rst
ixpk= 4656, nxpk= 20, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2391,2392,
&end
#
# 145 ARG HG- 145 ARG HA 5.50 (# 4657:20 Unique 2.17, 3.15 A)
&rst
ixpk= 4657, nxpk= 20, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2391,2392,
&end
#
# 133 VAL MGY 145 ARG HA 4.50 (# 4658:20 Unique 1.98, 3.58 A)
&rst
ixpk= 4658, nxpk= 20, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 0 AMB 20-2:4659 0 AMB 20-1:4659 4.50 (# 4659:20 Double Ambig)
&rst
ixpk= 4659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2394,2395,2394,2395,2394,2395,
igr2=2388,2389,2388,2389,2388,2389,
&end
#
# 38 GLY HA- 56 GLU HB- 5.50 (# 4660:20 Unique 4.72, 6.53 A)
&rst
ixpk= 4660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 604, 605,
igr2= 863, 864,
&end
#
# 160 GLU HA 160 GLU HB- 4.50 (# 4661:20 Unique 2.54, 2.80 A)
&rst
ixpk= 4661, nxpk= 20, iat=2641, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2643,2644,
&end
#
# 54 LEU HN 56 GLU HB- 5.50 (# 4662:20 Unique 4.47, 6.03 A)
&rst
ixpk= 4662, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 864,
&end
#
# 145 ARG HN 145 ARG HG+ 5.50 (# 4663:20 Unique 1.94, 3.90 A)
&rst
ixpk= 4663, nxpk= 20, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2391,2392,
&end
#
# 145 ARG HN 145 ARG HG- 5.50 (# 4664:20 Unique 1.94, 3.90 A)
&rst
ixpk= 4664, nxpk= 20, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2391,2392,
&end
#
# 0 AMB 20-2:4665 0 AMB 20-1:4665 3.50 (# 4665:20 Double Ambig)
&rst
ixpk= 4665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1326,1327,1326,1327,2394,2395,2394,2395,
igr2=1284,1285,2391,2392,2391,2392,
&end
#
# 0 AMB 20-2:4666 0 AMB 20-1:4666 2.80 (# 4666:20 Double Ambig)
&rst
ixpk= 4666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2321,2322,2394,2395,2394,2395, 708, 538, 539,
igr2=2192,2193,2391,2392, 752, 753, 421, 422,
&end
#
# 145 ARG HA 145 ARG HG+ 5.50 (# 4667:20 Unique 2.17, 3.15 A)
&rst
ixpk= 4667, nxpk= 20, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2391,2392,
&end
#
# 0 AMB 20-2:4668 0 AMB 20-1:4668 5.50 (# 4668:20 Double Ambig)
&rst
ixpk= 4668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2386, 460, 461,
igr2=2391,2392, 421, 422,
&end
#
# 145 ARG HN 0 AMB 20-1:4669 5.50 (# 4669:20 Single Ambig)
&rst
ixpk= 4669, nxpk= 20, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2394,2395,2394,2395,
&end
#
# 145 ARG HA 0 AMB 20-1:4670 5.50 (# 4670:20 Single Ambig)
&rst
ixpk= 4670, nxpk= 20, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2394,2395,2394,2395,
&end
#
# 0 AMB 20-2:4671 0 AMB 20-1:4671 2.80 (# 4671:20 Double Ambig)
&rst
ixpk= 4671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2388,2389,2388,2389,2388,2389, 111, 112,
igr2=2394,2395,2394,2395,2394,2395, 114, 115,
&end
#
# 147 VAL MGY 146 ARG HA 5.50 (# 4672:20 Unique 5.06, 6.77 A)
&rst
ixpk= 4672, nxpk= 20, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4673 146 ARG HA 5.50 (# 4673:20 Single Ambig)
&rst
ixpk= 4673, nxpk= 20, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 146 ARG HG- 146 ARG HA 4.50 (# 4674:20 Unique 2.20, 3.14 A)
&rst
ixpk= 4674, nxpk= 20, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2415,2416,
&end
#
# 0 AMB 20-2:4675 146 ARG HA 2.80 (# 4675:20 Single Ambig)
&rst
ixpk= 4675, nxpk= 20, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2415,2416,2412,2413,2412,2413,
&end
#
# 149 LYS HB- 146 ARG HA 4.50 (# 4676:20 Unique 2.24, 3.59 A)
&rst
ixpk= 4676, nxpk= 20, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2469,2470,
&end
#
# 0 AMB 20-2:4677 146 ARG HA 5.50 (# 4677:20 Single Ambig)
&rst
ixpk= 4677, nxpk= 20, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2418,2419,2418,2419,
&end
#
# 146 ARG HN 146 ARG HA 4.50 (# 4678:20 Unique 2.88, 2.91 A)
&rst
ixpk= 4678, nxpk= 20, iat=2408,2410, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4679 146 ARG HA 5.50 (# 4679:20 Single Ambig)
&rst
ixpk= 4679, nxpk= 20, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2432,2448,
&end
#
# 149 LYS HN 146 ARG HA 5.50 (# 4680:20 Unique 3.11, 3.51 A)
&rst
ixpk= 4680, nxpk= 20, iat=2465,2410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 VAL HN 0 AMB 20-1:4681 5.50 (# 4681:20 Single Ambig)
&rst
ixpk= 4681, nxpk= 20, iat=2432, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2412,2413,2412,2413,
&end
#
# 146 ARG HN 0 AMB 20-1:4682 4.50 (# 4682:20 Single Ambig)
&rst
ixpk= 4682, nxpk= 20, iat=2408, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2412,2413,2412,2413,
&end
#
# 146 ARG HA 0 AMB 20-1:4683 4.50 (# 4683:20 Single Ambig)
&rst
ixpk= 4683, nxpk= 20, iat=2410, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2412,2413,2412,2413,
&end
#
# 0 AMB 20-2:4684 0 AMB 20-1:4684 4.50 (# 4684:20 Double Ambig)
&rst
ixpk= 4684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2418,2419,2418,2419,2418,2419,
igr2=2412,2413,2412,2413,2412,2413,
&end
#
# 0 AMB 20-2:4685 0 AMB 20-1:4685 5.50 (# 4685:20 Double Ambig)
&rst
ixpk= 4685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=2412,2413,2412,2413,2412,2413,
&end
#
# 146 ARG HA 146 ARG HG+ 5.50 (# 4686:20 Unique 2.20, 3.14 A)
&rst
ixpk= 4686, nxpk= 20, iat=2410, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2415,2416,
&end
#
# 146 ARG HN 146 ARG HG+ 5.50 (# 4687:20 Unique 2.30, 3.37 A)
&rst
ixpk= 4687, nxpk= 20, iat=2408, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2415,2416,
&end
#
# 146 ARG HN 146 ARG HG- 4.50 (# 4688:20 Unique 2.30, 3.37 A)
&rst
ixpk= 4688, nxpk= 20, iat=2408, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2415,2416,
&end
#
# 147 VAL HN 146 ARG HG+ 5.50 (# 4689:20 Unique 2.03, 4.17 A)
&rst
ixpk= 4689, nxpk= 20, iat=2432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2415,2416,
&end
#
# 147 VAL HN 146 ARG HG- 5.50 (# 4690:20 Unique 2.03, 4.17 A)
&rst
ixpk= 4690, nxpk= 20, iat=2432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2415,2416,
&end
#
# 146 ARG HN 0 AMB 20-1:4691 5.50 (# 4691:20 Single Ambig)
&rst
ixpk= 4691, nxpk= 20, iat=2408, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2418,2419,2418,2419,
&end
#
# 146 ARG HE 0 AMB 20-1:4692 4.50 (# 4692:20 Single Ambig)
&rst
ixpk= 4692, nxpk= 20, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2418,2419,2418,2419,
&end
#
# 146 ARG HA 0 AMB 20-1:4693 5.50 (# 4693:20 Single Ambig)
&rst
ixpk= 4693, nxpk= 20, iat=2410, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2418,2419,2418,2419,
&end
#
# 147 VAL MGY 147 VAL HA 4.50 (# 4694:20 Unique 2.31, 3.13 A)
&rst
ixpk= 4694, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL MGX 147 VAL HA 4.50 (# 4695:20 Unique 2.31, 3.13 A)
&rst
ixpk= 4695, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4696 147 VAL HA 5.50 (# 4696:20 Single Ambig)
&rst
ixpk= 4696, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 20-2:4697 147 VAL HA 5.50 (# 4697:20 Single Ambig)
&rst
ixpk= 4697, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1105,1106,1107,2353,2354,2355,2357,2358,2359,2353,
2354,2355,2357,2358,2359,
&end
#
# 147 VAL HB 147 VAL HA 5.50 (# 4698:20 Unique 2.38, 2.99 A)
&rst
ixpk= 4698, nxpk= 20, iat=2436,2434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4699 147 VAL HA 5.50 (# 4699:20 Single Ambig)
&rst
ixpk= 4699, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2491,2492,2415,2416,
&end
#
# 0 AMB 20-2:4700 147 VAL HA 5.50 (# 4700:20 Single Ambig)
&rst
ixpk= 4700, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2491,2492,2415,2416,
&end
#
# 150 GLU HG- 147 VAL HA 5.50 (# 4701:20 Unique 1.99, 3.29 A)
&rst
ixpk= 4701, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2494,2495,
&end
#
# 150 GLU HG+ 147 VAL HA 5.50 (# 4702:20 Unique 1.99, 3.29 A)
&rst
ixpk= 4702, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2494,2495,
&end
#
# 144 TYR HD 147 VAL HA 5.50 (# 4703:20 Unique 5.04, 7.12 A)
&rst
ixpk= 4703, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2371,2380,
&end
#
# 150 GLU HN 147 VAL HA 5.50 (# 4704:20 Unique 3.48, 3.79 A)
&rst
ixpk= 4704, nxpk= 20, iat=2487,2434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4705 147 VAL HA 5.50 (# 4705:20 Single Ambig)
&rst
ixpk= 4705, nxpk= 20, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2432,2448,
&end
#
# 149 LYS HN 147 VAL HA 5.50 (# 4706:20 Unique 4.49, 5.00 A)
&rst
ixpk= 4706, nxpk= 20, iat=2465,2434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4707 147 VAL HB 4.50 (# 4707:20 Single Ambig)
&rst
ixpk= 4707, nxpk= 20, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2448,2432,
&end
#
# 0 AMB 20-2:4708 147 VAL HB 5.50 (# 4708:20 Single Ambig)
&rst
ixpk= 4708, nxpk= 20, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2363,2465,
&end
#
# 146 ARG HN 147 VAL HB 5.50 (# 4709:20 Unique 4.44, 4.58 A)
&rst
ixpk= 4709, nxpk= 20, iat=2408,2436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 TYR HD 147 VAL HB 5.50 (# 4710:20 Unique 2.04, 4.31 A)
&rst
ixpk= 4710, nxpk= 20, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2371,2380,
&end
#
# 144 TYR HA 147 VAL HB 5.50 (# 4711:20 Unique 1.97, 2.57 A)
&rst
ixpk= 4711, nxpk= 20, iat=2365,2436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 VAL HA 147 VAL HB 5.50 (# 4712:20 Unique 2.38, 2.99 A)
&rst
ixpk= 4712, nxpk= 20, iat=2434,2436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 MET HG+ 147 VAL HB 5.50 (# 4713:20 Unique 2.97, 4.45 A)
&rst
ixpk= 4713, nxpk= 20, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2455,2456,
&end
#
# 0 AMB 20-2:4714 147 VAL HB 5.50 (# 4714:20 Single Ambig)
&rst
ixpk= 4714, nxpk= 20, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2415,2416,2412,2413,2412,2413,2452,2453,2491,2492,
&end
#
# 147 VAL MGX 147 VAL HB 4.50 (# 4715:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4715, nxpk= 20, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL MGY 147 VAL HB 4.50 (# 4716:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4716, nxpk= 20, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 14 VAL MGX 147 VAL MGX 4.50 (# 4718:20 Unique 1.98, 5.15 A)
&rst
ixpk= 4718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 204, 205, 206, 208, 209, 210,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4719 147 VAL MGX 5.50 (# 4719:20 Single Ambig)
&rst
ixpk= 4719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1669,1670,1671,1673,1674,1675,2296,2297,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4720 147 VAL MGX 5.50 (# 4720:20 Single Ambig)
&rst
ixpk= 4720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL HB 147 VAL MGX 3.50 (# 4721:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4721, nxpk= 20, iat=2436, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 148 MET ME 147 VAL MGX 5.50 (# 4722:20 Unique 3.27, 6.70 A)
&rst
ixpk= 4722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2459,2460,2461,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 146 ARG HG- 147 VAL MGX 5.50 (# 4723:20 Unique 2.25, 6.96 A)
&rst
ixpk= 4723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2415,2416,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4724 147 VAL MGX 5.50 (# 4724:20 Single Ambig)
&rst
ixpk= 4724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2415,2416,2412,2413,2412,2413,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 148 MET HG- 147 VAL MGX 5.50 (# 4725:20 Unique 2.22, 6.29 A)
&rst
ixpk= 4725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2455,2456,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 148 MET HG+ 147 VAL MGX 5.50 (# 4726:20 Unique 2.22, 6.29 A)
&rst
ixpk= 4726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2455,2456,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL HA 147 VAL MGX 4.50 (# 4727:20 Unique 2.31, 3.13 A)
&rst
ixpk= 4727, nxpk= 20, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 99 TRP HB- 147 VAL MGX 5.50 (# 4728:20 Unique 1.97, 4.03 A)
&rst
ixpk= 4728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1620,1621,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 99 TRP HB+ 147 VAL MGX 5.50 (# 4729:20 Unique 1.97, 4.03 A)
&rst
ixpk= 4729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1620,1621,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4730 147 VAL MGX 5.50 (# 4730:20 Single Ambig)
&rst
ixpk= 4730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2418,2419,2418,2419,2367,2368,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 144 TYR HA 147 VAL MGX 5.50 (# 4731:20 Unique 1.95, 3.89 A)
&rst
ixpk= 4731, nxpk= 20, iat=2365, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 148 MET HA 147 VAL MGX 5.50 (# 4732:20 Unique 3.53, 5.57 A)
&rst
ixpk= 4732, nxpk= 20, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 144 TYR HD 147 VAL MGX 3.50 (# 4733:20 Unique 2.09, 5.64 A)
&rst
ixpk= 4733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2371,2380,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 99 TRP HE3 147 VAL MGX 5.50 (# 4734:20 Unique 1.99, 3.52 A)
&rst
ixpk= 4734, nxpk= 20, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 150 GLU HN 147 VAL MGX 5.50 (# 4735:20 Unique 4.48, 6.27 A)
&rst
ixpk= 4735, nxpk= 20, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4736 147 VAL MGX 4.50 (# 4736:20 Single Ambig)
&rst
ixpk= 4736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2432,2448,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4737 147 VAL MGX 5.50 (# 4737:20 Single Ambig)
&rst
ixpk= 4737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2363,2465,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 100 PHE HN 147 VAL MGX 5.50 (# 4738:20 Unique 5.25, 7.06 A)
&rst
ixpk= 4738, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4739 147 VAL MGX 5.50 (# 4739:20 Single Ambig)
&rst
ixpk= 4739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 198, 323,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 99 TRP HE1 147 VAL MGY 5.50 (# 4740:20 Unique 3.30, 5.73 A)
&rst
ixpk= 4740, nxpk= 20, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 100 PHE HN 147 VAL MGY 5.50 (# 4741:20 Unique 5.25, 7.06 A)
&rst
ixpk= 4741, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4742 147 VAL MGY 5.50 (# 4742:20 Single Ambig)
&rst
ixpk= 4742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2363,2465,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4743 147 VAL MGY 3.50 (# 4743:20 Single Ambig)
&rst
ixpk= 4743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2432,2448,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4744 147 VAL MGY 5.50 (# 4744:20 Single Ambig)
&rst
ixpk= 4744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1616,2347,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 146 ARG HN 147 VAL MGY 5.50 (# 4745:20 Unique 3.25, 5.72 A)
&rst
ixpk= 4745, nxpk= 20, iat=2408, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4746 147 VAL MGY 5.50 (# 4746:20 Single Ambig)
&rst
ixpk= 4746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1629,2421,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 99 TRP HE3 147 VAL MGY 5.50 (# 4747:20 Unique 1.99, 3.52 A)
&rst
ixpk= 4747, nxpk= 20, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 144 TYR HD 147 VAL MGY 4.50 (# 4748:20 Unique 2.09, 5.64 A)
&rst
ixpk= 4748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2371,2380,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 144 TYR HA 147 VAL MGY 5.50 (# 4749:20 Unique 1.95, 3.89 A)
&rst
ixpk= 4749, nxpk= 20, iat=2365, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4750 147 VAL MGY 5.50 (# 4750:20 Single Ambig)
&rst
ixpk= 4750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2418,2419,2418,2419,2367,2368,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 99 TRP HB+ 147 VAL MGY 5.50 (# 4751:20 Unique 1.97, 4.03 A)
&rst
ixpk= 4751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1620,1621,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 99 TRP HB- 147 VAL MGY 5.50 (# 4752:20 Unique 1.97, 4.03 A)
&rst
ixpk= 4752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1620,1621,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL HA 147 VAL MGY 3.50 (# 4753:20 Unique 2.31, 3.13 A)
&rst
ixpk= 4753, nxpk= 20, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 148 MET HG- 147 VAL MGY 5.50 (# 4754:20 Unique 2.22, 6.29 A)
&rst
ixpk= 4754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2455,2456,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4755 147 VAL MGY 4.50 (# 4755:20 Single Ambig)
&rst
ixpk= 4755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2415,2416,2412,2413,2412,2413,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 146 ARG HG- 147 VAL MGY 5.50 (# 4756:20 Unique 2.25, 6.96 A)
&rst
ixpk= 4756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2415,2416,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL HB 147 VAL MGY 2.80 (# 4757:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4757, nxpk= 20, iat=2436, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4758 147 VAL MGY 2.80 (# 4758:20 Single Ambig)
&rst
ixpk= 4758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4759 147 VAL MGY 2.80 (# 4759:20 Single Ambig)
&rst
ixpk= 4759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 14 VAL MGX 147 VAL MGY 5.50 (# 4760:20 Unique 1.98, 5.15 A)
&rst
ixpk= 4760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 204, 205, 206, 208, 209, 210,
igr2=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL MGX 148 MET HA 5.50 (# 4762:20 Unique 3.53, 5.57 A)
&rst
ixpk= 4762, nxpk= 20, iat= -1,2450, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 20-2:4763 0 AMB 20-1:4763 5.50 (# 4763:20 Double Ambig)
&rst
ixpk= 4763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2459,2460,2461,2703,2704,
igr2=2450,2641,
&end
#
# 160 GLU HB- 160 GLU HA 2.80 (# 4764:20 Unique 2.54, 2.80 A)
&rst
ixpk= 4764, nxpk= 20, iat= -1,2641, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2643,2644,
&end
#
# 0 AMB 20-2:4765 0 AMB 20-1:4765 3.50 (# 4765:20 Double Ambig)
&rst
ixpk= 4765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2626,2627,2643,2644,
igr2=2624,2641,
&end
#
# 0 AMB 20-2:4766 0 AMB 20-1:4766 2.80 (# 4766:20 Double Ambig)
&rst
ixpk= 4766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2646,2647,2629,2630,
igr2=2641,2624,
&end
#
# 148 MET HG+ 148 MET HA 5.50 (# 4767:20 Unique 2.17, 3.39 A)
&rst
ixpk= 4767, nxpk= 20, iat= -1,2450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2455,2456,
&end
#
# 144 TYR HD 148 MET HA 5.50 (# 4768:20 Unique 4.48, 7.25 A)
&rst
ixpk= 4768, nxpk= 20, iat= -1,2450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2371,2380,
&end
#
# 0 AMB 20-2:4769 0 AMB 20-1:4769 3.50 (# 4769:20 Double Ambig)
&rst
ixpk= 4769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2622,2522,
igr2=2624,2450,
&end
#
# 160 GLU HN 0 AMB 20-1:4770 2.80 (# 4770:20 Single Ambig)
&rst
ixpk= 4770, nxpk= 20, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2641,2624,
&end
#
# 161 ASN HN 160 GLU HA 3.50 (# 4771:20 Unique 2.90, 3.04 A)
&rst
ixpk= 4771, nxpk= 20, iat=2654,2641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 148 MET HN 148 MET HB- 5.50 (# 4772:20 Unique 2.20, 3.09 A)
&rst
ixpk= 4772, nxpk= 20, iat=2448, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2452,2453,
&end
#
# 148 MET HN 148 MET HB+ 5.50 (# 4773:20 Unique 2.20, 3.09 A)
&rst
ixpk= 4773, nxpk= 20, iat=2448, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2452,2453,
&end
#
# 148 MET HG+ 148 MET HB- 5.50 (# 4774:20 Unique 2.20, 2.59 A)
&rst
ixpk= 4774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2455,2456,
igr2=2452,2453,
&end
#
# 0 AMB 20-2:4775 0 AMB 20-1:4775 5.50 (# 4775:20 Double Ambig)
&rst
ixpk= 4775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2455,2456, 728, 729, 728, 729,
igr2=2452,2453, 710, 711,
&end
#
# 148 MET HG- 148 MET HB- 5.50 (# 4776:20 Unique 2.20, 2.59 A)
&rst
ixpk= 4776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2455,2456,
igr2=2452,2453,
&end
#
# 148 MET HN 148 MET HG- 5.50 (# 4778:20 Unique 1.92, 3.02 A)
&rst
ixpk= 4778, nxpk= 20, iat=2448, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2455,2456,
&end
#
# 148 MET HN 148 MET HG+ 5.50 (# 4779:20 Unique 1.92, 3.02 A)
&rst
ixpk= 4779, nxpk= 20, iat=2448, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2455,2456,
&end
#
# 148 MET ME 148 MET HG+ 5.50 (# 4780:20 Unique 2.04, 3.36 A)
&rst
ixpk= 4780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2459,2460,2461,
igr2=2455,2456,
&end
#
# 148 MET ME 148 MET HG- 4.50 (# 4781:20 Unique 2.04, 3.36 A)
&rst
ixpk= 4781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2459,2460,2461,
igr2=2455,2456,
&end
#
# 133 VAL MGY 148 MET HG+ 5.50 (# 4782:20 Unique 1.98, 4.72 A)
&rst
ixpk= 4782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2175,2176,2177,2179,2180,2181,
igr2=2455,2456,
&end
#
# 133 VAL MGY 148 MET HG- 4.50 (# 4783:20 Unique 1.98, 4.72 A)
&rst
ixpk= 4783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2175,2176,2177,2179,2180,2181,
igr2=2455,2456,
&end
#
# 147 VAL MGX 148 MET HG+ 5.50 (# 4784:20 Unique 2.22, 6.29 A)
&rst
ixpk= 4784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2438,2439,2440,2442,2443,2444,
igr2=2455,2456,
&end
#
# 147 VAL MGX 148 MET HG- 5.50 (# 4785:20 Unique 2.22, 6.29 A)
&rst
ixpk= 4785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2438,2439,2440,2442,2443,2444,
igr2=2455,2456,
&end
#
# 0 AMB 20-2:4786 148 MET ME 5.50 (# 4786:20 Single Ambig)
&rst
ixpk= 4786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2448,2432,
igr2=2459,2460,2461,
&end
#
# 131 TYR HN 148 MET ME 5.50 (# 4787:20 Unique 3.49, 5.56 A)
&rst
ixpk= 4787, nxpk= 20, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2459,2460,2461,
&end
#
# 130 TRP HN 148 MET ME 5.50 (# 4788:20 Unique 2.03, 5.15 A)
&rst
ixpk= 4788, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2459,2460,2461,
&end
#
# 134 ARG HN 148 MET ME 5.50 (# 4790:20 Unique 5.01, 7.21 A)
&rst
ixpk= 4790, nxpk= 20, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2459,2460,2461,
&end
#
# 144 TYR HD 148 MET ME 5.50 (# 4791:20 Unique 1.99, 5.01 A)
&rst
ixpk= 4791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2371,2380,
igr2=2459,2460,2461,
&end
#
# 135 GLN HN 148 MET ME 5.50 (# 4792:20 Unique 5.55, 7.70 A)
&rst
ixpk= 4792, nxpk= 20, iat=2209, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2459,2460,2461,
&end
#
# 0 AMB 20-2:4793 148 MET ME 4.50 (# 4793:20 Single Ambig)
&rst
ixpk= 4793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2097,2106,2099,2104,
igr2=2459,2460,2461,
&end
#
# 148 MET HA 148 MET ME 5.50 (# 4794:20 Unique 1.97, 4.69 A)
&rst
ixpk= 4794, nxpk= 20, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2459,2460,2461,
&end
#
# 129 TYR HA 148 MET ME 5.50 (# 4795:20 Unique 2.60, 4.32 A)
&rst
ixpk= 4795, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2459,2460,2461,
&end
#
# 132 PRO HD- 148 MET ME 5.50 (# 4796:20 Unique 2.55, 4.73 A)
&rst
ixpk= 4796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2156,2157,
igr2=2459,2460,2461,
&end
#
# 148 MET HG+ 148 MET ME 5.50 (# 4798:20 Unique 2.04, 3.36 A)
&rst
ixpk= 4798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2455,2456,
igr2=2459,2460,2461,
&end
#
# 148 MET HG- 148 MET ME 4.50 (# 4799:20 Unique 2.04, 3.36 A)
&rst
ixpk= 4799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2455,2456,
igr2=2459,2460,2461,
&end
#
# 148 MET HB+ 148 MET ME 5.50 (# 4800:20 Unique 1.98, 4.70 A)
&rst
ixpk= 4800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2452,2453,
igr2=2459,2460,2461,
&end
#
# 0 AMB 20-2:4802 148 MET ME 4.50 (# 4802:20 Single Ambig)
&rst
ixpk= 4802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=2175,2176,2177,2179,2180,2181,2175,2176,2177,2179,
2180,2181,2162,2163,
igr2=2459,2460,2461,
&end
#
# 0 AMB 20-2:4803 148 MET ME 2.80 (# 4803:20 Single Ambig)
&rst
ixpk= 4803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 329, 330, 331, 333, 334, 335, 329, 330, 331, 333,
334, 335,
igr2=2459,2460,2461,
&end
#
# 132 PRO HG- 148 MET ME 4.50 (# 4804:20 Unique 1.97, 3.24 A)
&rst
ixpk= 4804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2159,2160,
igr2=2459,2460,2461,
&end
#
# 14 VAL MGY 148 MET ME 4.50 (# 4805:20 Unique 3.94, 7.14 A)
&rst
ixpk= 4805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 204, 205, 206, 208, 209, 210,
igr2=2459,2460,2461,
&end
#
# 147 VAL MGX 148 MET ME 5.50 (# 4806:20 Unique 3.27, 6.70 A)
&rst
ixpk= 4806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2438,2439,2440,2442,2443,2444,
igr2=2459,2460,2461,
&end
#
# 0 AMB 20-2:4807 157 SER HA 3.50 (# 4807:20 Single Ambig)
&rst
ixpk= 4807, nxpk= 20, iat= -1,2594, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2663,2664,2592,
&end
#
# 130 TRP HH2 149 LYS HA 5.50 (# 4808:20 Unique 1.97, 2.25 A)
&rst
ixpk= 4808, nxpk= 20, iat=2125,2467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 GLU HN 149 LYS HA 5.50 (# 4809:20 Unique 3.30, 3.43 A)
&rst
ixpk= 4809, nxpk= 20, iat=2487,2467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LYS HN 149 LYS HA 5.50 (# 4810:20 Unique 2.73, 2.80 A)
&rst
ixpk= 4810, nxpk= 20, iat=2465,2467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LYS HN 149 LYS HB- 4.50 (# 4811:20 Unique 2.14, 2.55 A)
&rst
ixpk= 4811, nxpk= 20, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2469,2470,
&end
#
# 0 AMB 20-2:4812 0 AMB 20-1:4812 5.50 (# 4812:20 Double Ambig)
&rst
ixpk= 4812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2478,2479,2478,2479,
igr2=2472,2473,2472,2473,
&end
#
# 149 LYS HA 149 LYS HG+ 5.50 (# 4813:20 Unique 2.22, 3.08 A)
&rst
ixpk= 4813, nxpk= 20, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2472,2473,
&end
#
# 130 TRP HH2 149 LYS HG+ 5.50 (# 4814:20 Unique 3.25, 4.36 A)
&rst
ixpk= 4814, nxpk= 20, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2472,2473,
&end
#
# 0 AMB 20-2:4815 0 AMB 20-1:4815 5.50 (# 4815:20 Double Ambig)
&rst
ixpk= 4815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2125,1359,
igr2=2472,2473,1301,1302,
&end
#
# 150 GLU HN 149 LYS HG+ 5.50 (# 4816:20 Unique 2.38, 4.84 A)
&rst
ixpk= 4816, nxpk= 20, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2472,2473,
&end
#
# 150 GLU HN 149 LYS HG- 5.50 (# 4817:20 Unique 2.38, 4.84 A)
&rst
ixpk= 4817, nxpk= 20, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2472,2473,
&end
#
# 149 LYS HN 149 LYS HG+ 5.50 (# 4818:20 Unique 3.03, 4.41 A)
&rst
ixpk= 4818, nxpk= 20, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2472,2473,
&end
#
# 149 LYS HN 149 LYS HG- 5.50 (# 4819:20 Unique 3.03, 4.41 A)
&rst
ixpk= 4819, nxpk= 20, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2472,2473,
&end
#
# 0 AMB 20-2:4820 0 AMB 20-1:4820 4.50 (# 4820:20 Double Ambig)
&rst
ixpk= 4820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2478,2479,2478,2479,
igr2=2475,2476,2475,2476,
&end
#
# 0 AMB 20-2:4821 149 LYS HD- 3.50 (# 4821:20 Single Ambig)
&rst
ixpk= 4821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2478,2479,2478,2479,
igr2=2475,2476,
&end
#
# 150 GLU HB- 150 GLU HA 4.50 (# 4822:20 Unique 2.47, 2.81 A)
&rst
ixpk= 4822, nxpk= 20, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2491,2492,
&end
#
# 150 GLU HB+ 150 GLU HA 4.50 (# 4823:20 Unique 2.47, 2.81 A)
&rst
ixpk= 4823, nxpk= 20, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2491,2492,
&end
#
# 150 GLU HG- 150 GLU HA 3.50 (# 4824:20 Unique 2.12, 2.94 A)
&rst
ixpk= 4824, nxpk= 20, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2494,2495,
&end
#
# 150 GLU HG+ 150 GLU HA 4.50 (# 4825:20 Unique 2.12, 2.94 A)
&rst
ixpk= 4825, nxpk= 20, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2494,2495,
&end
#
# 150 GLU HN 150 GLU HA 4.50 (# 4826:20 Unique 2.74, 2.80 A)
&rst
ixpk= 4826, nxpk= 20, iat=2487,2489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 150 GLU HA 150 GLU HB+ 5.50 (# 4827:20 Unique 2.47, 2.81 A)
&rst
ixpk= 4827, nxpk= 20, iat=2489, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2491,2492,
&end
#
# 150 GLU HA 150 GLU HB- 4.50 (# 4828:20 Unique 2.47, 2.81 A)
&rst
ixpk= 4828, nxpk= 20, iat=2489, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2491,2492,
&end
#
# 0 AMB 20-2:4829 0 AMB 20-1:4829 5.50 (# 4829:20 Double Ambig)
&rst
ixpk= 4829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2494,2495,2494,2495,
igr2=2491,2492,2415,2416,
&end
#
# 0 AMB 20-2:4830 0 AMB 20-1:4830 5.50 (# 4830:20 Double Ambig)
&rst
ixpk= 4830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2494,2495,2494,2495,
igr2=2491,2492,2415,2416,
&end
#
# 150 GLU HG- 0 AMB 20-1:4831 5.50 (# 4831:20 Single Ambig)
&rst
ixpk= 4831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2494,2495,
igr2=2491,2492,2415,2416,
&end
#
# 150 GLU HG- 0 AMB 20-1:4832 4.50 (# 4832:20 Single Ambig)
&rst
ixpk= 4832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2494,2495,
igr2=2491,2492,2415,2416,
&end
#
# 71 THR MG2 150 GLU HG- 5.50 (# 4833:20 Unique 2.56, 5.75 A)
&rst
ixpk= 4833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1105,1106,1107,
igr2=2494,2495,
&end
#
# 0 AMB 20-2:4834 0 AMB 20-1:4834 4.50 (# 4834:20 Double Ambig)
&rst
ixpk= 4834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2491,2492,2415,2416,2159,2160,
igr2=2494,2495,2494,2495, 327,
&end
#
# 0 AMB 20-2:4835 150 GLU HG- 4.50 (# 4835:20 Single Ambig)
&rst
ixpk= 4835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2491,2492,2415,2416,
igr2=2494,2495,
&end
#
# 0 AMB 20-2:4836 0 AMB 20-1:4836 4.50 (# 4836:20 Double Ambig)
&rst
ixpk= 4836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2491,2492,2412,2413,
igr2=2494,2495,2494,2495,
&end
#
# 0 AMB 20-2:4837 150 GLU HG- 4.50 (# 4837:20 Single Ambig)
&rst
ixpk= 4837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2491,2492,2412,2413,
igr2=2494,2495,
&end
#
# 150 GLU HA 150 GLU HG+ 4.50 (# 4838:20 Unique 2.12, 2.94 A)
&rst
ixpk= 4838, nxpk= 20, iat=2489, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2494,2495,
&end
#
# 150 GLU HA 150 GLU HG- 5.50 (# 4839:20 Unique 2.12, 2.94 A)
&rst
ixpk= 4839, nxpk= 20, iat=2489, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2494,2495,
&end
#
# 150 GLU HN 150 GLU HG+ 5.50 (# 4842:20 Unique 2.29, 3.20 A)
&rst
ixpk= 4842, nxpk= 20, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2494,2495,
&end
#
# 150 GLU HN 150 GLU HG- 5.50 (# 4843:20 Unique 2.29, 3.20 A)
&rst
ixpk= 4843, nxpk= 20, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2494,2495,
&end
#
# 151 PHE HN 151 PHE HB+ 5.50 (# 4844:20 Unique 2.60, 3.36 A)
&rst
ixpk= 4844, nxpk= 20, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2506,2507,
&end
#
# 151 PHE HN 151 PHE HB- 5.50 (# 4845:20 Unique 2.60, 3.36 A)
&rst
ixpk= 4845, nxpk= 20, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2506,2507,
&end
#
# 103 GLN HE2- 151 PHE HB- 5.50 (# 4847:20 Unique 5.26, 6.90 A)
&rst
ixpk= 4847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1710,1711,
igr2=2506,2507,
&end
#
# 151 PHE HA 151 PHE HB+ 5.50 (# 4848:20 Unique 2.24, 2.65 A)
&rst
ixpk= 4848, nxpk= 20, iat=2504, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2506,2507,
&end
#
# 151 PHE HA 151 PHE HB- 5.50 (# 4849:20 Unique 2.24, 2.65 A)
&rst
ixpk= 4849, nxpk= 20, iat=2504, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2506,2507,
&end
#
# 0 AMB 20-2:4850 0 AMB 20-1:4850 5.50 (# 4850:20 Double Ambig)
&rst
ixpk= 4850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1667,2549,2550,2551,2553,2554,2555,1664,1665,
igr2=2506,2507,2506,2507,2506,2507,
&end
#
# 0 AMB 20-2:4851 151 PHE HB- 5.50 (# 4851:20 Single Ambig)
&rst
ixpk= 4851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1667,2549,2550,2551,2553,2554,2555,1664,1665,
igr2=2506,2507,
&end
#
# 101 LEU MDX 151 PHE HB+ 5.50 (# 4852:20 Unique 1.99, 4.13 A)
&rst
ixpk= 4852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2=2506,2507,
&end
#
# 101 LEU MDY 151 PHE HB+ 5.50 (# 4853:20 Unique 1.99, 4.13 A)
&rst
ixpk= 4853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2=2506,2507,
&end
#
# 101 LEU MDY 151 PHE HB- 5.50 (# 4854:20 Unique 1.99, 4.13 A)
&rst
ixpk= 4854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675,
igr2=2506,2507,
&end
#
# 14 VAL MGY 151 PHE HB- 5.50 (# 4855:20 Unique 3.71, 7.36 A)
&rst
ixpk= 4855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 204, 205, 206, 208, 209, 210,
igr2=2506,2507,
&end
#
# 155 VAL MGX 152 ALA HA 5.50 (# 4856:20 Unique 2.32, 5.24 A)
&rst
ixpk= 4856, nxpk= 20, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2565,2566,2567,2569,2570,2571,
&end
#
# 155 VAL MGY 152 ALA HA 5.50 (# 4857:20 Unique 2.32, 5.24 A)
&rst
ixpk= 4857, nxpk= 20, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2565,2566,2567,2569,2570,2571,
&end
#
# 152 ALA MB 152 ALA HA 3.50 (# 4858:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4858, nxpk= 20, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2526,2527,2528,
&end
#
# 129 TYR HE 152 ALA HA 5.50 (# 4859:20 Unique 2.06, 3.60 A)
&rst
ixpk= 4859, nxpk= 20, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2099,2104,
&end
#
# 0 AMB 20-2:4860 152 ALA HA 4.50 (# 4860:20 Single Ambig)
&rst
ixpk= 4860, nxpk= 20, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2522,2123,
&end
#
# 151 PHE HN 152 ALA HA 5.50 (# 4861:20 Unique 4.16, 4.33 A)
&rst
ixpk= 4861, nxpk= 20, iat=2502,2524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 MET HN 152 ALA HA 5.50 (# 4862:20 Unique 4.07, 4.53 A)
&rst
ixpk= 4862, nxpk= 20, iat=2575,2524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 153 SER HN 152 ALA HA 5.50 (# 4863:20 Unique 3.45, 3.53 A)
&rst
ixpk= 4863, nxpk= 20, iat=2532,2524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4864 152 ALA MB 5.50 (# 4864:20 Single Ambig)
&rst
ixpk= 4864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1669,1670,1671,1673,1674,1675, 204, 205, 206, 208,
209, 210,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4865 152 ALA MB 5.50 (# 4865:20 Single Ambig)
&rst
ixpk= 4865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2565,2566,2567,2569,2570,2571,2549,2550,2551,2553,
2554,2555,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4866 152 ALA MB 5.50 (# 4866:20 Single Ambig)
&rst
ixpk= 4866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=2565,2566,2567,2569,2570,2571,2549,2550,2551,2553,
2554,2555,2175,2176,2177,2179,2180,2181,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4867 152 ALA MB 5.50 (# 4867:20 Single Ambig)
&rst
ixpk= 4867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2469,2470,2579,2580,2579,2580,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4868 152 ALA MB 5.50 (# 4868:20 Single Ambig)
&rst
ixpk= 4868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=2547, 313, 314,2643,2644,2388,2389,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4869 152 ALA MB 5.50 (# 4869:20 Single Ambig)
&rst
ixpk= 4869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2582,2583,2455,2456,2093,2094,
igr2=2526,2527,2528,
&end
#
# 156 MET HG+ 152 ALA MB 5.50 (# 4870:20 Unique 3.28, 5.90 A)
&rst
ixpk= 4870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2582,2583,
igr2=2526,2527,2528,
&end
#
# 152 ALA HA 152 ALA MB 3.50 (# 4871:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4871, nxpk= 20, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4872 152 ALA MB 5.50 (# 4872:20 Single Ambig)
&rst
ixpk= 4872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2536,2537,2536,2537,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4873 152 ALA MB 5.50 (# 4873:20 Single Ambig)
&rst
ixpk= 4873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2534,2489,
igr2=2526,2527,2528,
&end
#
# 148 MET HA 152 ALA MB 5.50 (# 4874:20 Unique 3.30, 5.13 A)
&rst
ixpk= 4874, nxpk= 20, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2526,2527,2528,
&end
#
# 149 LYS HA 152 ALA MB 4.50 (# 4875:20 Unique 1.98, 3.05 A)
&rst
ixpk= 4875, nxpk= 20, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4876 152 ALA MB 4.50 (# 4876:20 Single Ambig)
&rst
ixpk= 4876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2099,2104,2097,2106,
igr2=2526,2527,2528,
&end
#
# 130 TRP HH2 152 ALA MB 5.50 (# 4878:20 Unique 1.99, 2.69 A)
&rst
ixpk= 4878, nxpk= 20, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4879 152 ALA MB 5.50 (# 4879:20 Single Ambig)
&rst
ixpk= 4879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2543,2118,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4880 152 ALA MB 2.80 (# 4880:20 Single Ambig)
&rst
ixpk= 4880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2123,2522,
igr2=2526,2527,2528,
&end
#
# 151 PHE HN 152 ALA MB 5.50 (# 4881:20 Unique 3.90, 5.08 A)
&rst
ixpk= 4881, nxpk= 20, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2526,2527,2528,
&end
#
# 0 AMB 20-2:4882 152 ALA MB 5.50 (# 4882:20 Single Ambig)
&rst
ixpk= 4882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2575,2089,
igr2=2526,2527,2528,
&end
#
# 149 LYS HN 152 ALA MB 5.50 (# 4883:20 Unique 3.95, 5.10 A)
&rst
ixpk= 4883, nxpk= 20, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2526,2527,2528,
&end
#
# 153 SER HN 152 ALA MB 4.50 (# 4884:20 Unique 2.39, 3.43 A)
&rst
ixpk= 4884, nxpk= 20, iat=2532, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2526,2527,2528,
&end
#
# 130 TRP HE1 152 ALA MB 5.50 (# 4885:20 Unique 4.23, 5.51 A)
&rst
ixpk= 4885, nxpk= 20, iat=2120, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2526,2527,2528,
&end
#
# 153 SER HN 153 SER HA 5.50 (# 4886:20 Unique 2.84, 2.89 A)
&rst
ixpk= 4886, nxpk= 20, iat=2532,2534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 MET HN 153 SER HA 5.50 (# 4887:20 Unique 2.97, 3.47 A)
&rst
ixpk= 4887, nxpk= 20, iat=2575,2534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4888 153 SER HA 5.50 (# 4888:20 Single Ambig)
&rst
ixpk= 4888, nxpk= 20, iat= -1,2534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2592,2522,
&end
#
# 154 VAL HN 153 SER HA 5.50 (# 4889:20 Unique 3.31, 3.41 A)
&rst
ixpk= 4889, nxpk= 20, iat=2543,2534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4890 153 SER HA 3.50 (# 4890:20 Single Ambig)
&rst
ixpk= 4890, nxpk= 20, iat= -1,2534, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2536,2537,2536,2537,
&end
#
# 156 MET HG+ 153 SER HA 5.50 (# 4891:20 Unique 1.96, 3.03 A)
&rst
ixpk= 4891, nxpk= 20, iat= -1,2534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2582,2583,
&end
#
# 156 MET HG- 153 SER HA 5.50 (# 4892:20 Unique 1.96, 3.03 A)
&rst
ixpk= 4892, nxpk= 20, iat= -1,2534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2582,2583,
&end
#
# 0 AMB 20-2:4893 153 SER HA 4.50 (# 4893:20 Single Ambig)
&rst
ixpk= 4893, nxpk= 20, iat= -1,2534, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2579,2580,2579,2580,
&end
#
# 0 AMB 20-2:4894 153 SER HA 5.50 (# 4894:20 Single Ambig)
&rst
ixpk= 4894, nxpk= 20, iat= -1,2534, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2526,2527,2528,2563,
&end
#
# 154 VAL MGX 0 AMB 20-1:4895 5.50 (# 4895:20 Single Ambig)
&rst
ixpk= 4895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2549,2550,2551,2553,2554,2555,
igr2=2536,2537,2536,2537,
&end
#
# 154 VAL MGY 0 AMB 20-1:4896 5.50 (# 4896:20 Single Ambig)
&rst
ixpk= 4896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2549,2550,2551,2553,2554,2555,
igr2=2536,2537,2536,2537,
&end
#
# 152 ALA MB 0 AMB 20-1:4897 5.50 (# 4897:20 Single Ambig)
&rst
ixpk= 4897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2526,2527,2528,
igr2=2536,2537,2536,2537,
&end
#
# 0 AMB 20-2:4898 0 AMB 20-1:4898 5.50 (# 4898:20 Double Ambig)
&rst
ixpk= 4898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2579,2580,2579,2580,2579,2580,
igr2=2536,2537,2536,2537,2536,2537,
&end
#
# 0 AMB 20-2:4899 0 AMB 20-1:4899 5.50 (# 4899:20 Double Ambig)
&rst
ixpk= 4899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2643,2644,2626,2627,
igr2=2536,2537,2536,2537,
&end
#
# 154 VAL HN 0 AMB 20-1:4901 5.50 (# 4901:20 Single Ambig)
&rst
ixpk= 4901, nxpk= 20, iat=2543, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2536,2537,2536,2537,
&end
#
# 0 AMB 20-2:4902 0 AMB 20-1:4902 5.50 (# 4902:20 Double Ambig)
&rst
ixpk= 4902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2522,2123,
igr2=2536,2537,2536,2537,2536,2537,
&end
#
# 153 SER HN 0 AMB 20-1:4903 4.50 (# 4903:20 Single Ambig)
&rst
ixpk= 4903, nxpk= 20, iat=2532, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2536,2537,2536,2537,
&end
#
# 157 SER HN 154 VAL HA 5.50 (# 4904:20 Unique 3.57, 3.90 A)
&rst
ixpk= 4904, nxpk= 20, iat=2592,2545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 VAL HN 154 VAL HA 4.50 (# 4905:20 Unique 2.74, 2.83 A)
&rst
ixpk= 4905, nxpk= 20, iat=2543,2545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 154 VAL HB 154 VAL HA 5.50 (# 4906:20 Unique 3.01, 3.02 A)
&rst
ixpk= 4906, nxpk= 20, iat=2547,2545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4907 154 VAL HA 5.50 (# 4907:20 Single Ambig)
&rst
ixpk= 4907, nxpk= 20, iat= -1,2545, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2563,2607,2608,
&end
#
# 68 LEU HB+ 154 VAL HA 5.50 (# 4908:20 Unique 5.57, 6.50 A)
&rst
ixpk= 4908, nxpk= 20, iat= -1,2545, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 154 VAL MGX 154 VAL HA 3.50 (# 4909:20 Unique 2.29, 3.11 A)
&rst
ixpk= 4909, nxpk= 20, iat= -1,2545, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2549,2550,2551,2553,2554,2555,
&end
#
# 154 VAL MGY 154 VAL HA 3.50 (# 4910:20 Unique 2.29, 3.11 A)
&rst
ixpk= 4910, nxpk= 20, iat= -1,2545, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2549,2550,2551,2553,2554,2555,
&end
#
# 154 VAL MGY 154 VAL HB 4.50 (# 4912:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4912, nxpk= 20, iat= -1,2547, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2549,2550,2551,2553,2554,2555,
&end
#
# 0 AMB 20-2:4913 154 VAL HB 4.50 (# 4913:20 Single Ambig)
&rst
ixpk= 4913, nxpk= 20, iat= -1,2547, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2549,2550,2551,2553,2554,2555,1667,2565,2566,2567,
2569,2570,2571,
&end
#
# 151 PHE HA 154 VAL MGX 5.50 (# 4914:20 Unique 2.00, 4.25 A)
&rst
ixpk= 4914, nxpk= 20, iat=2504, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2549,2550,2551,2553,2554,2555,
&end
#
# 154 VAL HA 154 VAL MGX 2.80 (# 4915:20 Unique 2.29, 3.11 A)
&rst
ixpk= 4915, nxpk= 20, iat=2545, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2549,2550,2551,2553,2554,2555,
&end
#
# 154 VAL HB 154 VAL MGY 3.50 (# 4916:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4916, nxpk= 20, iat=2547, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2549,2550,2551,2553,2554,2555,
&end
#
# 154 VAL HA 154 VAL MGY 3.50 (# 4917:20 Unique 2.29, 3.11 A)
&rst
ixpk= 4917, nxpk= 20, iat=2545, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2549,2550,2551,2553,2554,2555,
&end
#
# 154 VAL HN 154 VAL MGY 4.50 (# 4918:20 Unique 2.08, 3.85 A)
&rst
ixpk= 4918, nxpk= 20, iat=2543, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2549,2550,2551,2553,2554,2555,
&end
#
# 156 MET HN 155 VAL HA 5.50 (# 4919:20 Unique 3.49, 3.54 A)
&rst
ixpk= 4919, nxpk= 20, iat=2575,2561, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 155 VAL HN 155 VAL HA 4.50 (# 4921:20 Unique 2.77, 2.88 A)
&rst
ixpk= 4921, nxpk= 20, iat=2559,2561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4922 155 VAL HA 5.50 (# 4922:20 Single Ambig)
&rst
ixpk= 4922, nxpk= 20, iat= -1,2561, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2577,2605,
&end
#
# 0 AMB 20-2:4923 155 VAL HA 5.50 (# 4923:20 Single Ambig)
&rst
ixpk= 4923, nxpk= 20, iat= -1,2561, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2596,2597,2596,2597, 301, 302,
&end
#
# 0 AMB 20-2:4924 155 VAL HA 5.50 (# 4924:20 Single Ambig)
&rst
ixpk= 4924, nxpk= 20, iat= -1,2561, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1705,1706,1705,1706,2579,2580,2579,2580,
&end
#
# 0 AMB 20-2:4925 155 VAL HA 5.50 (# 4925:20 Single Ambig)
&rst
ixpk= 4925, nxpk= 20, iat= -1,2561, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2547, 262, 263,
&end
#
# 0 AMB 20-2:4926 155 VAL HA 4.50 (# 4926:20 Single Ambig)
&rst
ixpk= 4926, nxpk= 20, iat= -1,2561, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2610,2607,2608,
&end
#
# 0 AMB 20-2:4927 155 VAL HA 4.50 (# 4927:20 Single Ambig)
&rst
ixpk= 4927, nxpk= 20, iat= -1,2561, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2563,2607,2608,
&end
#
# 0 AMB 20-2:4928 155 VAL HA 3.50 (# 4928:20 Single Ambig)
&rst
ixpk= 4928, nxpk= 20, iat= -1,2561, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2565,2566,2567,2569,2570,2571,2549,2550,2551,2553,
2554,2555,
&end
#
# 0 AMB 20-2:4929 155 VAL HA 3.50 (# 4929:20 Single Ambig)
&rst
ixpk= 4929, nxpk= 20, iat= -1,2561, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2612,2613,2614,2616,2617,2618,2565,2566,2567,2569,
2570,2571,
&end
#
# 155 VAL MGX 155 VAL HB 3.50 (# 4930:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4930, nxpk= 20, iat= -1,2563, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2565,2566,2567,2569,2570,2571,
&end
#
# 0 AMB 20-2:4931 155 VAL HB 4.50 (# 4931:20 Single Ambig)
&rst
ixpk= 4931, nxpk= 20, iat= -1,2563, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2565,2566,2567,2569,2570,2571,1667,
&end
#
# 155 VAL HA 155 VAL HB 5.50 (# 4932:20 Unique 2.41, 2.68 A)
&rst
ixpk= 4932, nxpk= 20, iat=2561,2563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 ALA HA 155 VAL HB 5.50 (# 4933:20 Unique 3.65, 4.75 A)
&rst
ixpk= 4933, nxpk= 20, iat=2524,2563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 TYR HE 155 VAL HB 5.50 (# 4934:20 Unique 1.95, 4.64 A)
&rst
ixpk= 4934, nxpk= 20, iat= -1,2563, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2099,2104,
&end
#
# 155 VAL HN 155 VAL HB 4.50 (# 4935:20 Unique 2.47, 2.71 A)
&rst
ixpk= 4935, nxpk= 20, iat=2559,2563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 156 MET HN 155 VAL HB 5.50 (# 4936:20 Unique 2.07, 3.27 A)
&rst
ixpk= 4936, nxpk= 20, iat=2575,2563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 MET HN 155 VAL MGX 4.50 (# 4937:20 Unique 1.91, 3.95 A)
&rst
ixpk= 4937, nxpk= 20, iat=2575, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 101 LEU MDY 155 VAL MGY 3.50 (# 4939:20 Unique 1.99, 5.47 A)
&rst
ixpk= 4939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1669,1670,1671,1673,1674,1675,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 0 AMB 20-2:4940 155 VAL MGY 5.50 (# 4940:20 Single Ambig)
&rst
ixpk= 4940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1082,1083,1084,2459,2460,2461,1063,1064,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 0 AMB 20-2:4941 155 VAL MGY 3.50 (# 4941:20 Single Ambig)
&rst
ixpk= 4941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2563,2607,2608,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 155 VAL HA 155 VAL MGY 3.50 (# 4942:20 Unique 2.21, 3.33 A)
&rst
ixpk= 4942, nxpk= 20, iat=2561, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 0 AMB 20-2:4943 155 VAL MGY 4.50 (# 4943:20 Single Ambig)
&rst
ixpk= 4943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2099,2104,2097,2106,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 0 AMB 20-2:4944 155 VAL MGY 3.50 (# 4944:20 Single Ambig)
&rst
ixpk= 4944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2559, 306,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 156 MET HN 155 VAL MGY 5.50 (# 4945:20 Unique 1.91, 3.95 A)
&rst
ixpk= 4945, nxpk= 20, iat=2575, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2565,2566,2567,2569,2570,2571,
&end
#
# 156 MET HN 156 MET HA 4.50 (# 4946:20 Unique 2.75, 2.82 A)
&rst
ixpk= 4946, nxpk= 20, iat=2575,2577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4947 156 MET HA 4.50 (# 4947:20 Single Ambig)
&rst
ixpk= 4947, nxpk= 20, iat= -1,2577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2622,2592,
&end
#
# 156 MET HG- 156 MET HA 5.50 (# 4948:20 Unique 2.14, 3.46 A)
&rst
ixpk= 4948, nxpk= 20, iat= -1,2577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2582,2583,
&end
#
# 156 MET HG+ 156 MET HA 5.50 (# 4949:20 Unique 2.14, 3.46 A)
&rst
ixpk= 4949, nxpk= 20, iat= -1,2577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2582,2583,
&end
#
# 0 AMB 20-2:4950 156 MET HA 2.80 (# 4950:20 Single Ambig)
&rst
ixpk= 4950, nxpk= 20, iat= -1,2577, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2579,2580,2579,2580,
&end
#
# 0 AMB 20-2:4951 0 AMB 20-1:4951 4.50 (# 4951:20 Double Ambig)
&rst
ixpk= 4951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2582,2583,2582,2583,
igr2=2579,2580,2579,2580,
&end
#
# 156 MET HG- 0 AMB 20-1:4952 3.50 (# 4952:20 Single Ambig)
&rst
ixpk= 4952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2582,2583,
igr2=2579,2580,2579,2580,
&end
#
# 156 MET HA 0 AMB 20-1:4953 4.50 (# 4953:20 Single Ambig)
&rst
ixpk= 4953, nxpk= 20, iat=2577, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2579,2580,2579,2580,
&end
#
# 0 AMB 20-2:4954 0 AMB 20-1:4954 5.50 (# 4954:20 Double Ambig)
&rst
ixpk= 4954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=2410, 301, 302, 301, 302,
igr2=2469,2470,2579,2580,2579,2580,
&end
#
# 157 SER HN 0 AMB 20-1:4955 5.50 (# 4955:20 Single Ambig)
&rst
ixpk= 4955, nxpk= 20, iat=2592, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2579,2580,2579,2580,
&end
#
# 156 MET HN 0 AMB 20-1:4956 4.50 (# 4956:20 Single Ambig)
&rst
ixpk= 4956, nxpk= 20, iat=2575, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2579,2580,2579,2580,
&end
#
# 156 MET HN 156 MET HG- 5.50 (# 4957:20 Unique 2.27, 3.05 A)
&rst
ixpk= 4957, nxpk= 20, iat=2575, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2582,2583,
&end
#
# 156 MET HN 156 MET HG+ 5.50 (# 4958:20 Unique 2.27, 3.05 A)
&rst
ixpk= 4958, nxpk= 20, iat=2575, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2582,2583,
&end
#
# 157 SER HN 156 MET HG+ 5.50 (# 4959:20 Unique 2.20, 3.87 A)
&rst
ixpk= 4959, nxpk= 20, iat=2592, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2582,2583,
&end
#
# 157 SER HN 156 MET HG- 5.50 (# 4960:20 Unique 2.20, 3.87 A)
&rst
ixpk= 4960, nxpk= 20, iat=2592, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2582,2583,
&end
#
# 156 MET HA 156 MET HG+ 5.50 (# 4961:20 Unique 2.14, 3.46 A)
&rst
ixpk= 4961, nxpk= 20, iat=2577, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2582,2583,
&end
#
# 156 MET HA 156 MET HG- 4.50 (# 4962:20 Unique 2.14, 3.46 A)
&rst
ixpk= 4962, nxpk= 20, iat=2577, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2582,2583,
&end
#
# 0 AMB 20-2:4963 0 AMB 20-1:4963 5.50 (# 4963:20 Double Ambig)
&rst
ixpk= 4963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
igr1=2536,2537,2536,2537,2596,2597,2596,2597, 301, 302,
igr2=2582,2583,2582,2583,2582,2583,2582,2583, 237, 238,
&end
#
# 116 SER HB+ 119 PRO HB+ 5.50 (# 4964:20 Unique 1.98, 3.74 A)
&rst
ixpk= 4964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1890,1891,
igr2=1929,1930,
&end
#
# 0 AMB 20-2:4965 0 AMB 20-1:4965 3.50 (# 4965:20 Double Ambig)
&rst
ixpk= 4965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2579,2580,2579,2580,1705,1706,1705,1706,
igr2=2582,2583,2582,2583, 237, 238,
&end
#
# 0 AMB 20-2:4966 0 AMB 20-1:4966 2.80 (# 4966:20 Double Ambig)
&rst
ixpk= 4966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 863, 864,2579,2580,2579,2580,
igr2=1929,1930,2582,2583,
&end
#
# 155 VAL HB 0 AMB 20-1:4967 5.50 (# 4967:20 Single Ambig)
&rst
ixpk= 4967, nxpk= 20, iat=2563, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 237, 238,2582,2583,
&end
#
# 155 VAL MGX 156 MET HG- 5.50 (# 4968:20 Unique 2.57, 6.19 A)
&rst
ixpk= 4968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2565,2566,2567,2569,2570,2571,
igr2=2582,2583,
&end
#
# 158 LEU MDY 158 LEU HA 3.50 (# 4970:20 Unique 2.06, 3.81 A)
&rst
ixpk= 4970, nxpk= 20, iat= -1,2605, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2612,2613,2614,2616,2617,2618,
&end
#
# 158 LEU MDX 158 LEU HA 3.50 (# 4971:20 Unique 2.06, 3.81 A)
&rst
ixpk= 4971, nxpk= 20, iat= -1,2605, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2612,2613,2614,2616,2617,2618,
&end
#
# 158 LEU HB- 158 LEU HA 3.50 (# 4972:20 Unique 2.37, 2.78 A)
&rst
ixpk= 4972, nxpk= 20, iat= -1,2605, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2607,2608,
&end
#
# 0 AMB 20-2:4973 158 LEU HA 3.50 (# 4973:20 Single Ambig)
&rst
ixpk= 4973, nxpk= 20, iat= -1,2605, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2610,2607,2608,
&end
#
# 158 LEU HN 158 LEU HA 4.50 (# 4974:20 Unique 2.76, 2.85 A)
&rst
ixpk= 4974, nxpk= 20, iat=2603,2605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 159 GLN HN 158 LEU HB- 5.50 (# 4975:20 Unique 2.27, 3.06 A)
&rst
ixpk= 4975, nxpk= 20, iat=2622, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2607,2608,
&end
#
# 159 GLN HN 158 LEU HB+ 5.50 (# 4976:20 Unique 2.27, 3.06 A)
&rst
ixpk= 4976, nxpk= 20, iat=2622, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2607,2608,
&end
#
# 158 LEU HN 158 LEU HB+ 4.50 (# 4977:20 Unique 2.04, 2.89 A)
&rst
ixpk= 4977, nxpk= 20, iat=2603, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2607,2608,
&end
#
# 158 LEU HN 158 LEU HB- 4.50 (# 4978:20 Unique 2.04, 2.89 A)
&rst
ixpk= 4978, nxpk= 20, iat=2603, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2607,2608,
&end
#
# 158 LEU HA 158 LEU HB+ 4.50 (# 4979:20 Unique 2.37, 2.78 A)
&rst
ixpk= 4979, nxpk= 20, iat=2605, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2607,2608,
&end
#
# 158 LEU HA 158 LEU HB- 4.50 (# 4980:20 Unique 2.37, 2.78 A)
&rst
ixpk= 4980, nxpk= 20, iat=2605, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2607,2608,
&end
#
# 18 ARG HA 158 LEU HB- 5.50 (# 4982:20 Unique 2.00, 3.73 A)
&rst
ixpk= 4982, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2607,2608,
&end
#
# 155 VAL HA 158 LEU HB+ 5.50 (# 4983:20 Unique 2.76, 4.46 A)
&rst
ixpk= 4983, nxpk= 20, iat=2561, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2607,2608,
&end
#
# 155 VAL HA 158 LEU HB- 5.50 (# 4984:20 Unique 2.76, 4.46 A)
&rst
ixpk= 4984, nxpk= 20, iat=2561, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2607,2608,
&end
#
# 0 AMB 20-2:4985 0 AMB 20-1:4985 4.50 (# 4985:20 Double Ambig)
&rst
ixpk= 4985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2612,2613,2614,2616,2617,2618,2565,2566,2567,2569,
2570,2571,
igr2=2607,2608,2607,2608,
&end
#
# 158 LEU MDX 158 LEU HB+ 4.50 (# 4986:20 Unique 1.99, 3.29 A)
&rst
ixpk= 4986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2612,2613,2614,2616,2617,2618,
igr2=2607,2608,
&end
#
# 0 AMB 20-2:4987 158 LEU HB- 3.50 (# 4987:20 Single Ambig)
&rst
ixpk= 4987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2612,2613,2614,2616,2617,2618,2565,2566,2567,2569,
2570,2571,
igr2=2607,2608,
&end
#
# 158 LEU MDX 158 LEU HB- 3.50 (# 4988:20 Unique 1.99, 3.29 A)
&rst
ixpk= 4988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2612,2613,2614,2616,2617,2618,
igr2=2607,2608,
&end
#
# 158 LEU HB- 158 LEU HG 4.50 (# 4989:20 Unique 2.37, 2.71 A)
&rst
ixpk= 4989, nxpk= 20, iat= -1,2610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2607,2608,
&end
#
# 0 AMB 20-2:4990 0 AMB 20-1:4990 5.50 (# 4990:20 Double Ambig)
&rst
ixpk= 4990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2605,1763,1764,
igr2=2610,1722,
&end
#
# 158 LEU HN 158 LEU HG 4.50 (# 4991:20 Unique 2.08, 3.42 A)
&rst
ixpk= 4991, nxpk= 20, iat=2603,2610, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4992 158 LEU HG 5.50 (# 4992:20 Single Ambig)
&rst
ixpk= 4992, nxpk= 20, iat= -1,2610, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2592,2622,2663,2664,
&end
#
# 0 AMB 20-2:4993 158 LEU MDX 5.50 (# 4993:20 Single Ambig)
&rst
ixpk= 4993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2592,2663,2664,2622,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 158 LEU HN 158 LEU MDX 5.50 (# 4994:20 Unique 1.95, 4.32 A)
&rst
ixpk= 4994, nxpk= 20, iat=2603, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 103 GLN HE2+ 158 LEU MDX 5.50 (# 4995:20 Unique 1.95, 5.27 A)
&rst
ixpk= 4995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1710,1711,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 103 GLN HE2- 158 LEU MDX 5.50 (# 4996:20 Unique 1.95, 5.27 A)
&rst
ixpk= 4996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1710,1711,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 158 LEU HA 158 LEU MDX 4.50 (# 4997:20 Unique 2.06, 3.81 A)
&rst
ixpk= 4997, nxpk= 20, iat=2605, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 18 ARG HA 158 LEU MDX 5.50 (# 4998:20 Unique 2.00, 5.21 A)
&rst
ixpk= 4998, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 155 VAL HA 158 LEU MDX 5.50 (# 4999:20 Unique 2.04, 4.78 A)
&rst
ixpk= 4999, nxpk= 20, iat=2561, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 0 AMB 20-2:5000 158 LEU MDX 5.50 (# 5000:20 Single Ambig)
&rst
ixpk= 5000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 268, 269, 268, 269,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 0 AMB 20-2:5001 158 LEU MDX 5.50 (# 5001:20 Single Ambig)
&rst
ixpk= 5001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2579,2580,2579,2580,2643,2644, 313, 314,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 0 AMB 20-2:5002 158 LEU MDX 2.80 (# 5002:20 Single Ambig)
&rst
ixpk= 5002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2607,2608, 262, 263,2610,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 158 LEU HB- 158 LEU MDX 3.50 (# 5003:20 Unique 1.99, 3.29 A)
&rst
ixpk= 5003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2607,2608,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 158 LEU HB- 158 LEU MDY 3.50 (# 5005:20 Unique 1.99, 3.29 A)
&rst
ixpk= 5005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2607,2608,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 0 AMB 20-2:5006 158 LEU MDY 2.80 (# 5006:20 Single Ambig)
&rst
ixpk= 5006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2607,2608,2610,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 0 AMB 20-2:5007 158 LEU MDY 5.50 (# 5007:20 Single Ambig)
&rst
ixpk= 5007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1705,1706,1705,1706,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 158 LEU HA 158 LEU MDY 2.80 (# 5008:20 Unique 2.06, 3.81 A)
&rst
ixpk= 5008, nxpk= 20, iat=2605, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 103 GLN HE2- 158 LEU MDY 5.50 (# 5009:20 Unique 1.95, 5.27 A)
&rst
ixpk= 5009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1710,1711,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 103 GLN HE2+ 158 LEU MDY 5.50 (# 5010:20 Unique 1.95, 5.27 A)
&rst
ixpk= 5010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1710,1711,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 158 LEU HN 158 LEU MDY 5.50 (# 5011:20 Unique 1.95, 4.32 A)
&rst
ixpk= 5011, nxpk= 20, iat=2603, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 0 AMB 20-2:5012 158 LEU MDY 5.50 (# 5012:20 Single Ambig)
&rst
ixpk= 5012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2592,2663,2664,2622,
igr2=2612,2613,2614,2616,2617,2618,
&end
#
# 151 PHE HB+ 148 MET HA 5.50 (# 5013:20 Unique 4.20, 6.06 A)
&rst
ixpk= 5013, nxpk= 20, iat= -1,2450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2506,2507,
&end
#
# 0 AMB 20-2:5014 148 MET HA 5.50 (# 5014:20 Single Ambig)
&rst
ixpk= 5014, nxpk= 20, iat= -1,2450, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2506,2507,2367,2368,2394,2395,
&end
#
# 0 AMB 20-2:5015 0 AMB 20-1:5015 3.50 (# 5015:20 Double Ambig)
&rst
ixpk= 5015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2624,1763,1764,
igr2=2626,2627,1794,1795,
&end
#
# 0 AMB 20-2:5016 159 GLN HB- 3.50 (# 5016:20 Single Ambig)
&rst
ixpk= 5016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2624,2577,
igr2=2626,2627,
&end
#
# 159 GLN HE2- 159 GLN HB+ 5.50 (# 5017:20 Unique 1.95, 3.44 A)
&rst
ixpk= 5017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2634,2635,
igr2=2626,2627,
&end
#
# 159 GLN HE2- 159 GLN HB- 5.50 (# 5018:20 Unique 1.95, 3.44 A)
&rst
ixpk= 5018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2634,2635,
igr2=2626,2627,
&end
#
# 159 GLN HN 159 GLN HB+ 4.50 (# 5019:20 Unique 2.77, 3.28 A)
&rst
ixpk= 5019, nxpk= 20, iat=2622, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2626,2627,
&end
#
# 159 GLN HN 159 GLN HB- 4.50 (# 5020:20 Unique 2.77, 3.28 A)
&rst
ixpk= 5020, nxpk= 20, iat=2622, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2626,2627,
&end
#
# 160 GLU HN 159 GLN HB+ 5.50 (# 5021:20 Unique 2.62, 4.24 A)
&rst
ixpk= 5021, nxpk= 20, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2626,2627,
&end
#
# 0 AMB 20-2:5022 0 AMB 20-1:5022 4.50 (# 5022:20 Double Ambig)
&rst
ixpk= 5022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 786,2639,
igr2= 790, 791,2626,2627,
&end
#
# 0 AMB 20-2:5023 0 AMB 20-1:5023 5.50 (# 5023:20 Double Ambig)
&rst
ixpk= 5023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 299,2654,1824,
igr2=2626,2627,2626,2627,1794,1795,
&end
#
# 53 ALA HN 52 ARG HB+ 5.50 (# 5024:20 Unique 2.24, 3.16 A)
&rst
ixpk= 5024, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 790, 791,
&end
#
# 0 AMB 20-2:5025 0 AMB 20-1:5025 4.50 (# 5025:20 Double Ambig)
&rst
ixpk= 5025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1475,1476,1926,1927,1926,1927,1489,2607,2608,
igr2=1478,1479,1862,1863,1862,1863,1478,1479,2629,2630,
&end
#
# 0 AMB 20-2:5026 0 AMB 20-1:5026 5.50 (# 5026:20 Double Ambig)
&rst
ixpk= 5026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2683,2684,2386,
igr2=2641,2450,
&end
#
# 160 GLU HN 160 GLU HB+ 4.50 (# 5027:20 Unique 2.21, 2.79 A)
&rst
ixpk= 5027, nxpk= 20, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2643,2644,
&end
#
# 160 GLU HN 160 GLU HB- 4.50 (# 5028:20 Unique 2.21, 2.79 A)
&rst
ixpk= 5028, nxpk= 20, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2643,2644,
&end
#
# 160 GLU HA 160 GLU HB+ 3.50 (# 5029:20 Unique 2.54, 2.80 A)
&rst
ixpk= 5029, nxpk= 20, iat=2641, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2643,2644,
&end
#
# 160 GLU HA 160 GLU HG+ 4.50 (# 5030:20 Unique 2.03, 2.83 A)
&rst
ixpk= 5030, nxpk= 20, iat=2641, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2646,2647,
&end
#
# 160 GLU HA 160 GLU HG- 4.50 (# 5031:20 Unique 2.03, 2.83 A)
&rst
ixpk= 5031, nxpk= 20, iat=2641, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2646,2647,
&end
#
# 160 GLU HN 160 GLU HG+ 5.50 (# 5032:20 Unique 3.10, 4.55 A)
&rst
ixpk= 5032, nxpk= 20, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2646,2647,
&end
#
# 160 GLU HN 160 GLU HG- 5.50 (# 5033:20 Unique 3.10, 4.55 A)
&rst
ixpk= 5033, nxpk= 20, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2646,2647,
&end
#
# 0 AMB 20-2:5034 0 AMB 20-1:5034 5.50 (# 5034:20 Double Ambig)
&rst
ixpk= 5034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2654,2575,
igr2=2646,2647,2646,2647,
&end
#
# 161 ASN HN 160 GLU HG- 5.50 (# 5035:20 Unique 4.64, 5.12 A)
&rst
ixpk= 5035, nxpk= 20, iat=2654, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2646,2647,
&end
#
# 0 AMB 20-2:5036 0 AMB 20-1:5036 5.50 (# 5036:20 Double Ambig)
&rst
ixpk= 5036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2624,2577,
igr2=2658,2659,2658,2659,
&end
#
# 0 AMB 20-2:5037 161 ASN HB- 5.50 (# 5037:20 Single Ambig)
&rst
ixpk= 5037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2624,2577,
igr2=2658,2659,
&end
#
# 161 ASN HD2- 161 ASN HB+ 5.50 (# 5040:20 Unique 2.18, 3.34 A)
&rst
ixpk= 5040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2663,2664,
igr2=2658,2659,
&end
#
# 161 ASN HD2- 161 ASN HB- 5.50 (# 5041:20 Unique 2.18, 3.34 A)
&rst
ixpk= 5041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2663,2664,
igr2=2658,2659,
&end
#
# 161 ASN HD2+ 161 ASN HB+ 5.50 (# 5042:20 Unique 2.18, 3.34 A)
&rst
ixpk= 5042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2663,2664,
igr2=2658,2659,
&end
#
# 161 ASN HD2+ 161 ASN HB- 5.50 (# 5043:20 Unique 2.18, 3.34 A)
&rst
ixpk= 5043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2663,2664,
igr2=2658,2659,
&end
#
# 162 THR HN 161 ASN HB+ 5.50 (# 5044:20 Unique 2.51, 3.29 A)
&rst
ixpk= 5044, nxpk= 20, iat=2668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2658,2659,
&end
#
# 162 THR HN 161 ASN HB- 5.50 (# 5045:20 Unique 2.51, 3.29 A)
&rst
ixpk= 5045, nxpk= 20, iat=2668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2658,2659,
&end
#
# 161 ASN HN 161 ASN HB+ 5.50 (# 5046:20 Unique 2.66, 3.24 A)
&rst
ixpk= 5046, nxpk= 20, iat=2654, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2658,2659,
&end
#
# 161 ASN HN 161 ASN HB- 4.50 (# 5047:20 Unique 2.66, 3.24 A)
&rst
ixpk= 5047, nxpk= 20, iat=2654, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2658,2659,
&end
#
# 0 AMB 20-2:5048 162 THR HA 5.50 (# 5048:20 Single Ambig)
&rst
ixpk= 5048, nxpk= 20, iat= -1,2670, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2668,2696,
&end
#
# 162 THR HB 162 THR HA 4.50 (# 5049:20 Unique 2.94, 2.97 A)
&rst
ixpk= 5049, nxpk= 20, iat=2672,2670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 163 PRO HD+ 162 THR HA 3.50 (# 5050:20 Unique 3.75, 3.91 A)
&rst
ixpk= 5050, nxpk= 20, iat= -1,2670, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2683,2684,
&end
#
# 163 PRO HD- 162 THR HA 3.50 (# 5051:20 Unique 3.75, 3.91 A)
&rst
ixpk= 5051, nxpk= 20, iat= -1,2670, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2683,2684,
&end
#
# 162 THR MG2 162 THR HA 4.50 (# 5052:20 Unique 2.05, 3.29 A)
&rst
ixpk= 5052, nxpk= 20, iat= -1,2670, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2674,2675,2676,
&end
#
# 162 THR MG2 162 THR HB 3.50 (# 5053:20 Unique 2.23, 2.64 A)
&rst
ixpk= 5053, nxpk= 20, iat= -1,2672, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2674,2675,2676,
&end
#
# 163 PRO HD- 162 THR HB 5.50 (# 5054:20 Unique 1.87, 2.25 A)
&rst
ixpk= 5054, nxpk= 20, iat= -1,2672, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2683,2684,
&end
#
# 162 THR HA 162 THR HB 4.50 (# 5055:20 Unique 2.94, 2.97 A)
&rst
ixpk= 5055, nxpk= 20, iat=2670,2672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 162 THR HN 162 THR HB 4.50 (# 5056:20 Unique 2.22, 2.44 A)
&rst
ixpk= 5056, nxpk= 20, iat=2668,2672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:5057 162 THR MG2 5.50 (# 5057:20 Single Ambig)
&rst
ixpk= 5057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2668,2696,
igr2=2674,2675,2676,
&end
#
# 162 THR HA 162 THR MG2 4.50 (# 5058:20 Unique 2.05, 3.29 A)
&rst
ixpk= 5058, nxpk= 20, iat=2670, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2674,2675,2676,
&end
#
# 162 THR HB 162 THR MG2 4.50 (# 5059:20 Unique 2.23, 2.64 A)
&rst
ixpk= 5059, nxpk= 20, iat=2672, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2674,2675,2676,
&end
#
# 163 PRO HB- 163 PRO HA 4.50 (# 5060:20 Unique 2.30, 2.51 A)
&rst
ixpk= 5060, nxpk= 20, iat= -1,2692, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2689,2690,
&end
#
# 163 PRO HB+ 163 PRO HA 4.50 (# 5061:20 Unique 2.30, 2.51 A)
&rst
ixpk= 5061, nxpk= 20, iat= -1,2692, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2689,2690,
&end
#
# 163 PRO HD+ 163 PRO HA 5.50 (# 5062:20 Unique 3.60, 3.85 A)
&rst
ixpk= 5062, nxpk= 20, iat= -1,2692, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2683,2684,
&end
#
# 0 AMB 20-2:5063 163 PRO HA 3.50 (# 5063:20 Single Ambig)
&rst
ixpk= 5063, nxpk= 20, iat= -1,2692, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2696,2668,
&end
#
# 164 LYS HN 163 PRO HB+ 5.50 (# 5064:20 Unique 3.33, 3.79 A)
&rst
ixpk= 5064, nxpk= 20, iat=2696, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2689,2690,
&end
#
# 164 LYS HN 163 PRO HB- 5.50 (# 5065:20 Unique 3.33, 3.79 A)
&rst
ixpk= 5065, nxpk= 20, iat=2696, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2689,2690,
&end
#
# 163 PRO HA 163 PRO HB+ 4.50 (# 5066:20 Unique 2.30, 2.51 A)
&rst
ixpk= 5066, nxpk= 20, iat=2692, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2689,2690,
&end
#
# 163 PRO HA 163 PRO HB- 5.50 (# 5067:20 Unique 2.30, 2.51 A)
&rst
ixpk= 5067, nxpk= 20, iat=2692, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2689,2690,
&end
#
# 163 PRO HD+ 163 PRO HB+ 5.50 (# 5068:20 Unique 2.98, 3.70 A)
&rst
ixpk= 5068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2683,2684,
igr2=2689,2690,
&end
#
# 163 PRO HD- 163 PRO HB+ 5.50 (# 5069:20 Unique 2.98, 3.70 A)
&rst
ixpk= 5069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2683,2684,
igr2=2689,2690,
&end
#
# 163 PRO HB+ 163 PRO HG+ 3.50 (# 5070:20 Unique 2.32, 2.58 A)
&rst
ixpk= 5070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2689,2690,
igr2=2686,2687,
&end
#
# 163 PRO HD- 163 PRO HG+ 5.50 (# 5072:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2683,2684,
igr2=2686,2687,
&end
#
# 163 PRO HD+ 163 PRO HG+ 5.50 (# 5073:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2683,2684,
igr2=2686,2687,
&end
#
# 163 PRO HD+ 163 PRO HG- 5.50 (# 5074:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2683,2684,
igr2=2686,2687,
&end
#
# 163 PRO HD- 163 PRO HG- 5.50 (# 5075:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2683,2684,
igr2=2686,2687,
&end
#
# 0 AMB 20-2:5076 0 AMB 20-1:5076 5.50 (# 5076:20 Double Ambig)
&rst
ixpk= 5076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2692, 284,
igr2=2686,2687,2686,2687,
&end
#
# 162 THR HN 163 PRO HD+ 5.50 (# 5077:20 Unique 1.72, 2.57 A)
&rst
ixpk= 5077, nxpk= 20, iat=2668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2683,2684,
&end
#
# 162 THR HN 163 PRO HD- 5.50 (# 5078:20 Unique 1.72, 2.57 A)
&rst
ixpk= 5078, nxpk= 20, iat=2668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2683,2684,
&end
#
# 162 THR HA 163 PRO HD+ 3.50 (# 5081:20 Unique 3.75, 3.91 A)
&rst
ixpk= 5081, nxpk= 20, iat=2670, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2683,2684,
&end
#
# 162 THR HA 163 PRO HD- 3.50 (# 5082:20 Unique 3.75, 3.91 A)
&rst
ixpk= 5082, nxpk= 20, iat=2670, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2683,2684,
&end
#
# 163 PRO HA 163 PRO HD+ 5.50 (# 5083:20 Unique 3.60, 3.85 A)
&rst
ixpk= 5083, nxpk= 20, iat=2692, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2683,2684,
&end
#
# 163 PRO HA 163 PRO HD- 5.50 (# 5084:20 Unique 3.60, 3.85 A)
&rst
ixpk= 5084, nxpk= 20, iat=2692, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2683,2684,
&end
#
# 162 THR HB 163 PRO HD+ 5.50 (# 5085:20 Unique 1.87, 2.25 A)
&rst
ixpk= 5085, nxpk= 20, iat=2672, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2683,2684,
&end
#
# 162 THR HB 163 PRO HD- 5.50 (# 5086:20 Unique 1.87, 2.25 A)
&rst
ixpk= 5086, nxpk= 20, iat=2672, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2683,2684,
&end
#
# 163 PRO HB+ 163 PRO HD+ 5.50 (# 5087:20 Unique 2.98, 3.70 A)
&rst
ixpk= 5087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2689,2690,
igr2=2683,2684,
&end
#
# 163 PRO HB+ 163 PRO HD- 5.50 (# 5088:20 Unique 2.98, 3.70 A)
&rst
ixpk= 5088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2689,2690,
igr2=2683,2684,
&end
#
# 163 PRO HG+ 163 PRO HD+ 4.50 (# 5089:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2686,2687,
igr2=2683,2684,
&end
#
# 163 PRO HG- 163 PRO HD+ 3.50 (# 5090:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2686,2687,
igr2=2683,2684,
&end
#
# 163 PRO HG+ 163 PRO HD- 4.50 (# 5091:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2686,2687,
igr2=2683,2684,
&end
#
# 0 AMB 20-2:5092 163 PRO HD- 4.50 (# 5092:20 Single Ambig)
&rst
ixpk= 5092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2686,2687,2689,2690,
igr2=2683,2684,
&end
#
# 162 THR MG2 163 PRO HD+ 5.50 (# 5093:20 Unique 1.97, 3.82 A)
&rst
ixpk= 5093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2674,2675,2676,
igr2=2683,2684,
&end
#
# 162 THR MG2 163 PRO HD- 5.50 (# 5094:20 Unique 1.97, 3.82 A)
&rst
ixpk= 5094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2674,2675,2676,
igr2=2683,2684,
&end
#
# 0 AMB 20-2:5095 164 LYS HA 5.50 (# 5095:20 Single Ambig)
&rst
ixpk= 5095, nxpk= 20, iat= -1,2698, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2703,2704,2703,2704,
&end
#
# 164 LYS HN 164 LYS HA 5.50 (# 5096:20 Unique 2.28, 2.78 A)
&rst
ixpk= 5096, nxpk= 20, iat=2696,2698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 THR MG2 89 LYS HG+ 5.50 (# 5099:20 Unique 4.41, 6.33 A)
&rst
ixpk= 5099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1441,1442,1443,
igr2=1456,1457,
&end
#
# 164 LYS HA 0 AMB 20-1:5100 5.50 (# 5100:20 Single Ambig)
&rst
ixpk= 5100, nxpk= 20, iat=2698, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2703,2704,2703,2704,
&end
#
# 164 LYS HN 0 AMB 20-1:5101 5.50 (# 5101:20 Single Ambig)
&rst
ixpk= 5101, nxpk= 20, iat=2696, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2703,2704,2703,2704,
&end
#
# 88 THR HN 0 AMB 20-1:5102 5.50 (# 5102:20 Single Ambig)
&rst
ixpk= 5102, nxpk= 20, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1459,1460,1459,1460,
&end
#
# 67 ILE HB 67 ILE HG1+ 5.50 (# 5109:20 Unique 2.44, 2.79 A)
&rst
ixpk= 5109, nxpk= 20, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1050,1051,
&end
#
# 50 MET ME 67 ILE HG1+ 5.50 (# 5110:20 Unique 1.98, 4.45 A)
&rst
ixpk= 5110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 759, 760, 761,
igr2=1050,1051,
&end
#
# 0 AMB 20-2:5112 0 AMB 20-1:5112 5.50 (# 5112:20 Double Ambig)
&rst
ixpk= 5112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1688,1689,1690,1692,1693,1694,1053,1054,1055,
igr2=1050,1051,1050,1051,
&end
#
# 67 ILE QG2 67 ILE HG1+ 5.50 (# 5113:20 Unique 1.95, 3.39 A)
&rst
ixpk= 5113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1046,1047,1048,
igr2=1050,1051,
&end
#
# 67 ILE HN 67 ILE HG1+ 5.50 (# 5115:20 Unique 1.83, 2.71 A)
&rst
ixpk= 5115, nxpk= 20, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1050,1051,
&end
#
# 134 ARG HA 0 AMB 20-1:5116 4.50 (# 5116:20 Single Ambig)
&rst
ixpk= 5116, nxpk= 20, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2318,2319,2192,2193,
&end
#
# 101 LEU MDY 154 VAL MGY 2.80 (# 5117:20 Unique 2.00, 5.81 A)
&rst
ixpk= 5117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1669,1670,1671,1673,1674,1675,
igr2=2549,2550,2551,2553,2554,2555,
&end
#
# 0 AMB 20-2:5118 154 VAL MGY 3.50 (# 5118:20 Single Ambig)
&rst
ixpk= 5118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1082,1083,1084,1063,1064,
igr2=2549,2550,2551,2553,2554,2555,
&end
#
# 0 AMB 20-2:5119 36 PRO HB- 5.50 (# 5119:20 Single Ambig)
&rst
ixpk= 5119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 162, 163, 164, 166, 167, 168,2232,2233,2234,2236,
2237,2238,
igr2= 578, 579,
&end
#
# 68 LEU MDY 103 GLN HB- 5.50 (# 5120:20 Unique 1.89, 5.49 A)
&rst
ixpk= 5120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1068,1069,1070,1072,1073,1074,
igr2=1702,1703,
&end
#
# 0 AMB 20-2:5121 36 PRO HB- 5.50 (# 5121:20 Single Ambig)
&rst
ixpk= 5121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 829, 830, 831, 833, 834, 835, 895, 896, 897, 899,
900, 901, 227, 228, 229,
igr2= 578, 579,
&end
#
# 68 LEU HG 103 GLN HB- 5.50 (# 5122:20 Unique 2.63, 3.90 A)
&rst
ixpk= 5122, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1702,1703,
&end
#
# 0 AMB 20-2:5123 149 LYS HA 5.50 (# 5123:20 Single Ambig)
&rst
ixpk= 5123, nxpk= 20, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2522,2123,
&end
#
# 0 AMB 20-2:5124 149 LYS HA 4.50 (# 5124:20 Single Ambig)
&rst
ixpk= 5124, nxpk= 20, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2526,2527,2528,2472,2473,
&end
#
# 0 AMB 20-2:5125 149 LYS HA 4.50 (# 5125:20 Single Ambig)
&rst
ixpk= 5125, nxpk= 20, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2472,2473,2475,2476,
&end
#
# 149 LYS HB- 149 LYS HA 4.50 (# 5126:20 Unique 2.28, 2.72 A)
&rst
ixpk= 5126, nxpk= 20, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2469,2470,
&end
#
# 149 LYS HB+ 149 LYS HA 4.50 (# 5127:20 Unique 2.28, 2.72 A)
&rst
ixpk= 5127, nxpk= 20, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2469,2470,
&end
#
# 0 AMB 20-2:5128 65 VAL HB 5.50 (# 5128:20 Single Ambig)
&rst
ixpk= 5128, nxpk= 20, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 829, 830, 831, 833, 834, 835, 829, 830, 831, 833,
834, 835, 227, 228, 229,
&end
#
# 103 GLN HB- 68 LEU HG 4.50 (# 5129:20 Unique 2.63, 3.90 A)
&rst
ixpk= 5129, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1702,1703,
&end
#
# 0 AMB 20-2:5130 0 AMB 20-1:5130 5.50 (# 5130:20 Double Ambig)
&rst
ixpk= 5130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=2192,2193,2491,2492,2159,2160,
igr2=2175,2176,2177,2179,2180,2181,1105,1106,1107,
&end
#
# 110 GLU HG- 110 GLU HA 5.50 (# 5131:20 Unique 2.06, 3.15 A)
&rst
ixpk= 5131, nxpk= 20, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1797,1798,
&end
#
# 130 TRP HA 148 MET ME 5.50 (# 5132:20 Unique 3.37, 4.94 A)
&rst
ixpk= 5132, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2459,2460,2461,
&end
#
# 0 AMB 10-2:1 2 ILE HN 3.50 (# 1:10 Single Ambig)
&rst
ixpk= 1, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 6, 23,
&end
#
# 1 MET HG+ 2 ILE HN 5.50 (# 2:10 Unique 2.28, 3.43 A)
&rst
ixpk= 2, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 1 MET HG- 2 ILE HN 5.50 (# 3:10 Unique 2.28, 3.43 A)
&rst
ixpk= 3, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 0 AMB 10-2:4 2 ILE HN 4.50 (# 4:10 Single Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 8, 9, 8, 9,
&end
#
# 0 AMB 10-2:5 0 AMB 10-1:5 3.50 (# 5:10 Double Ambig)
&rst
ixpk= 5, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2018,2019, 25,
igr2=2038, 21,
&end
#
# 2 ILE HG1- 2 ILE HN 5.50 (# 6:10 Unique 1.94, 3.49 A)
&rst
ixpk= 6, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 31, 32,
&end
#
# 2 ILE HG1+ 2 ILE HN 5.50 (# 7:10 Unique 1.94, 3.49 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 31, 32,
&end
#
# 2 ILE QG2 2 ILE HN 4.50 (# 8:10 Unique 4.24, 4.75 A)
&rst
ixpk= 8, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 27, 28, 29,
&end
#
# 8 ARG HA 3 ASP HN 4.50 (# 10:10 Unique 3.74, 4.50 A)
&rst
ixpk= 10, nxpk= 10, iat= 106, 40, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ASP HA 3 ASP HN 3.50 (# 11:10 Unique 2.28, 2.87 A)
&rst
ixpk= 11, nxpk= 10, iat= 42, 40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 ILE HA 3 ASP HN 2.80 (# 12:10 Unique 2.17, 2.31 A)
&rst
ixpk= 12, nxpk= 10, iat= 23, 40, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:13 3 ASP HN 4.50 (# 13:10 Single Ambig)
&rst
ixpk= 13, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 129, 130, 129, 130,
&end
#
# 6 GLY HA- 3 ASP HN 5.50 (# 14:10 Unique 3.26, 5.11 A)
&rst
ixpk= 14, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 78, 79,
&end
#
# 3 ASP HB+ 3 ASP HN 3.50 (# 15:10 Unique 2.17, 2.88 A)
&rst
ixpk= 15, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 44, 45,
&end
#
# 3 ASP HB- 3 ASP HN 3.50 (# 16:10 Unique 2.17, 2.88 A)
&rst
ixpk= 16, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 44, 45,
&end
#
# 0 AMB 10-2:17 3 ASP HN 5.50 (# 17:10 Single Ambig)
&rst
ixpk= 17, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 11, 12, 56, 57,
&end
#
# 1 MET HG- 3 ASP HN 5.50 (# 18:10 Unique 3.37, 5.85 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 0 AMB 10-2:19 3 ASP HN 5.50 (# 19:10 Single Ambig)
&rst
ixpk= 19, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 87, 88, 135, 136,
&end
#
# 0 AMB 10-2:20 3 ASP HN 4.50 (# 20:10 Single Ambig)
&rst
ixpk= 20, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 132, 133, 108, 109, 108, 109,
&end
#
# 2 ILE HB 3 ASP HN 4.50 (# 21:10 Unique 2.77, 3.65 A)
&rst
ixpk= 21, nxpk= 10, iat= 25, 40, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:22 3 ASP HN 5.50 (# 22:10 Single Ambig)
&rst
ixpk= 22, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 31, 32,1559,1560,
&end
#
# 2 ILE HG1+ 3 ASP HN 5.50 (# 23:10 Unique 4.03, 4.97 A)
&rst
ixpk= 23, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 31, 32,
&end
#
# 2 ILE QG2 3 ASP HN 2.80 (# 24:10 Unique 1.96, 2.95 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 27, 28, 29,
&end
#
# 5 ASP HN 4 ASP HN 3.50 (# 25:10 Unique 2.19, 3.04 A)
&rst
ixpk= 25, nxpk= 10, iat= 64, 52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ASP HA 4 ASP HN 3.50 (# 26:10 Unique 2.54, 3.05 A)
&rst
ixpk= 26, nxpk= 10, iat= 42, 52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ASP HA 4 ASP HN 3.50 (# 27:10 Unique 2.28, 2.80 A)
&rst
ixpk= 27, nxpk= 10, iat= 54, 52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ASP HB+ 4 ASP HN 3.50 (# 28:10 Unique 1.92, 3.03 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 44, 45,
&end
#
# 4 ASP HB- 4 ASP HN 2.80 (# 30:10 Unique 2.09, 2.88 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 56, 57,
&end
#
# 7 TYR HB- 4 ASP HN 5.50 (# 31:10 Unique 2.97, 5.64 A)
&rst
ixpk= 31, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 87, 88,
&end
#
# 6 GLY HN 5 ASP HN 2.80 (# 32:10 Unique 1.79, 2.34 A)
&rst
ixpk= 32, nxpk= 10, iat= 76, 64, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 ASP HN 5 ASP HN 3.50 (# 33:10 Unique 2.19, 3.04 A)
&rst
ixpk= 33, nxpk= 10, iat= 52, 64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 TYR HD 5 ASP HN 5.50 (# 34:10 Unique 4.41, 5.65 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 91, 100,
&end
#
# 5 ASP HA 5 ASP HN 2.80 (# 36:10 Unique 2.76, 2.85 A)
&rst
ixpk= 36, nxpk= 10, iat= 66, 64, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 ASP HA 5 ASP HN 3.50 (# 37:10 Unique 3.49, 3.54 A)
&rst
ixpk= 37, nxpk= 10, iat= 54, 64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLY HA+ 5 ASP HN 5.50 (# 38:10 Unique 4.17, 4.83 A)
&rst
ixpk= 38, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 78, 79,
&end
#
# 6 GLY HA- 5 ASP HN 5.50 (# 39:10 Unique 4.17, 4.83 A)
&rst
ixpk= 39, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 78, 79,
&end
#
# 5 ASP HB+ 5 ASP HN 3.50 (# 40:10 Unique 2.08, 2.96 A)
&rst
ixpk= 40, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 68, 69,
&end
#
# 0 AMB 10-2:41 5 ASP HN 2.80 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 68, 69, 44, 45,
&end
#
# 4 ASP HB- 5 ASP HN 4.50 (# 42:10 Unique 1.90, 2.54 A)
&rst
ixpk= 42, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 56, 57,
&end
#
# 7 TYR HB- 5 ASP HN 5.50 (# 43:10 Unique 3.58, 5.44 A)
&rst
ixpk= 43, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 87, 88,
&end
#
# 2 ILE QG2 5 ASP HN 5.50 (# 44:10 Unique 3.42, 5.55 A)
&rst
ixpk= 44, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 27, 28, 29,
&end
#
# 0 AMB 10-2:45 5 ASP HN 5.50 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1525,1526,1527,1522,1523,
&end
#
# 5 ASP HN 6 GLY HN 2.80 (# 47:10 Unique 1.79, 2.34 A)
&rst
ixpk= 47, nxpk= 10, iat= 64, 76, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 TYR HD 6 GLY HN 5.50 (# 49:10 Unique 3.73, 4.91 A)
&rst
ixpk= 49, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 91, 100,
&end
#
# 7 TYR HE 6 GLY HN 5.50 (# 50:10 Unique 5.11, 6.00 A)
&rst
ixpk= 50, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 93, 98,
&end
#
# 0 AMB 10-2:51 6 GLY HN 3.50 (# 51:10 Single Ambig)
&rst
ixpk= 51, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 66, 42,
&end
#
# 4 ASP HA 6 GLY HN 5.50 (# 52:10 Unique 3.90, 4.68 A)
&rst
ixpk= 52, nxpk= 10, iat= 54, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLY HA+ 6 GLY HN 3.50 (# 53:10 Unique 2.38, 2.74 A)
&rst
ixpk= 53, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 78, 79,
&end
#
# 6 GLY HA- 6 GLY HN 3.50 (# 54:10 Unique 2.38, 2.74 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 78, 79,
&end
#
# 5 ASP HB+ 6 GLY HN 4.50 (# 55:10 Unique 2.43, 3.33 A)
&rst
ixpk= 55, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 68, 69,
&end
#
# 0 AMB 10-2:56 6 GLY HN 4.50 (# 56:10 Single Ambig)
&rst
ixpk= 56, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 44, 45, 68, 69,
&end
#
# 4 ASP HB- 6 GLY HN 5.50 (# 57:10 Unique 3.14, 4.39 A)
&rst
ixpk= 57, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 56, 57,
&end
#
# 7 TYR HB- 6 GLY HN 5.50 (# 58:10 Unique 3.65, 4.67 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 87, 88,
&end
#
# 0 AMB 10-2:59 6 GLY HN 5.50 (# 59:10 Single Ambig)
&rst
ixpk= 59, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1475,1476,1478,1479,
&end
#
# 90 PRO HG- 6 GLY HN 5.50 (# 60:10 Unique 2.71, 4.76 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1475,1476,
&end
#
# 2 ILE QG2 6 GLY HN 4.50 (# 61:10 Unique 2.24, 3.98 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 27, 28, 29,
&end
#
# 93 ILE QD1 6 GLY HN 5.50 (# 62:10 Unique 2.89, 5.44 A)
&rst
ixpk= 62, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1525,1526,1527,
&end
#
# 93 ILE HN 6 GLY HN 5.50 (# 63:10 Unique 4.13, 5.11 A)
&rst
ixpk= 63, nxpk= 10, iat=1512, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 MET HN 114 GLN HN 3.50 (# 64:10 Unique 2.23, 2.71 A)
&rst
ixpk= 64, nxpk= 10, iat=1838,1855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 THR HN 114 GLN HN 4.50 (# 65:10 Unique 1.80, 2.25 A)
&rst
ixpk= 65, nxpk= 10, iat=1872,1855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 GLN HA 114 GLN HN 3.50 (# 67:10 Unique 2.85, 2.92 A)
&rst
ixpk= 67, nxpk= 10, iat=1857,1855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 MET HA 114 GLN HN 4.50 (# 68:10 Unique 2.96, 3.26 A)
&rst
ixpk= 68, nxpk= 10, iat=1840,1855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:69 0 AMB 10-1:69 5.50 (# 69:10 Double Ambig)
&rst
ixpk= 69, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1876,1874, 129, 130,
igr2=1855, 83,
&end
#
# 113 MET HG+ 114 GLN HN 4.50 (# 71:10 Unique 3.87, 4.75 A)
&rst
ixpk= 71, nxpk= 10, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1845,1846,
&end
#
# 0 AMB 10-2:72 114 GLN HN 2.80 (# 72:10 Single Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1862,1863,1862,1863,1859,1860,
&end
#
# 114 GLN HB- 114 GLN HN 2.80 (# 73:10 Unique 2.24, 3.21 A)
&rst
ixpk= 73, nxpk= 10, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1859,1860,
&end
#
# 0 AMB 10-2:74 114 GLN HN 4.50 (# 74:10 Single Ambig)
&rst
ixpk= 74, nxpk= 10, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1842,1843,1842,1843,
&end
#
# 0 AMB 10-2:75 0 AMB 10-1:75 3.50 (# 75:10 Double Ambig)
&rst
ixpk= 75, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 34, 35, 36,1878,1879,1880,
igr2= 83,1855,
&end
#
# 96 LYS HN 8 ARG HN 5.50 (# 77:10 Unique 2.39, 2.86 A)
&rst
ixpk= 77, nxpk= 10, iat=1555, 104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLY HN 8 ARG HN 5.50 (# 78:10 Unique 3.87, 4.15 A)
&rst
ixpk= 78, nxpk= 10, iat=1531, 104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR HE 8 ARG HN 5.50 (# 80:10 Unique 5.87, 6.89 A)
&rst
ixpk= 80, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 93, 98,
&end
#
# 95 GLN HA 8 ARG HN 4.50 (# 81:10 Unique 1.82, 2.13 A)
&rst
ixpk= 81, nxpk= 10, iat=1540, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ARG HA 8 ARG HN 5.50 (# 82:10 Unique 2.84, 2.88 A)
&rst
ixpk= 82, nxpk= 10, iat= 106, 104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR HA 8 ARG HN 4.50 (# 83:10 Unique 2.14, 2.22 A)
&rst
ixpk= 83, nxpk= 10, iat= 85, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:84 8 ARG HN 5.50 (# 84:10 Single Ambig)
&rst
ixpk= 84, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 23,1533,1534,
&end
#
# 0 AMB 10-2:85 8 ARG HN 5.50 (# 85:10 Single Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 129, 130, 129, 130,
&end
#
# 7 TYR HB+ 8 ARG HN 5.50 (# 87:10 Unique 2.50, 3.62 A)
&rst
ixpk= 87, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 87, 88,
&end
#
# 0 AMB 10-2:89 8 ARG HN 3.50 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 108, 109, 108, 109, 111, 112,
&end
#
# 8 ARG HG- 8 ARG HN 5.50 (# 90:10 Unique 2.14, 3.92 A)
&rst
ixpk= 90, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 111, 112,
&end
#
# 0 AMB 10-2:91 8 ARG HN 5.50 (# 91:10 Single Ambig)
&rst
ixpk= 91, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 31, 32,1198,1199,
&end
#
# 0 AMB 10-2:92 8 ARG HN 5.50 (# 92:10 Single Ambig)
&rst
ixpk= 92, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 27, 28, 29,1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 10-2:93 8 ARG HN 5.50 (# 93:10 Single Ambig)
&rst
ixpk= 93, nxpk= 10, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1525,1526,1527,1565,1566,
&end
#
# 93 ILE HN 8 ARG HN 5.50 (# 94:10 Unique 5.30, 5.52 A)
&rst
ixpk= 94, nxpk= 10, iat=1512, 104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLN HN 10 ASN HN 5.50 (# 95:10 Unique 4.51, 4.77 A)
&rst
ixpk= 95, nxpk= 10, iat=1577, 142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HN 10 ASN HN 5.50 (# 96:10 Unique 4.30, 4.33 A)
&rst
ixpk= 96, nxpk= 10, iat= 156, 142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:97 10 ASN HN 5.50 (# 97:10 Single Ambig)
&rst
ixpk= 97, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1555, 609,
&end
#
# 98 LYS HN 10 ASN HN 5.50 (# 98:10 Unique 4.46, 4.91 A)
&rst
ixpk= 98, nxpk= 10, iat=1594, 142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HN 10 ASN HN 5.50 (# 99:10 Unique 3.67, 3.99 A)
&rst
ixpk= 99, nxpk= 10, iat= 616, 142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2+ 10 ASN HN 4.50 (# 100:10 Unique 1.89, 3.96 A)
&rst
ixpk= 100, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 151, 152,
&end
#
# 10 ASN HD2- 10 ASN HN 5.50 (# 101:10 Unique 1.89, 3.96 A)
&rst
ixpk= 101, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 97 GLN HA 10 ASN HN 5.50 (# 102:10 Unique 2.57, 3.02 A)
&rst
ixpk= 102, nxpk= 10, iat=1579, 142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:103 10 ASN HN 3.50 (# 103:10 Single Ambig)
&rst
ixpk= 103, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 138, 144,
&end
#
# 0 AMB 10-2:104 10 ASN HN 5.50 (# 104:10 Single Ambig)
&rst
ixpk= 104, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 129, 130, 129, 130,
&end
#
# 10 ASN HB+ 10 ASN HN 5.50 (# 105:10 Unique 2.94, 3.56 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 10 ASN HB- 10 ASN HN 5.50 (# 106:10 Unique 2.94, 3.56 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 9 PRO HB+ 10 ASN HN 4.50 (# 108:10 Unique 3.59, 4.01 A)
&rst
ixpk= 108, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 135, 136,
&end
#
# 0 AMB 10-2:110 10 ASN HN 5.50 (# 110:10 Single Ambig)
&rst
ixpk= 110, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 620,1542,1543,
&end
#
# 96 LYS HG+ 10 ASN HN 5.50 (# 111:10 Unique 2.79, 4.91 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1562,1563,
&end
#
# 40 ILE QD1 10 ASN HN 4.50 (# 112:10 Unique 2.21, 3.67 A)
&rst
ixpk= 112, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 629, 630, 631,
&end
#
# 0 AMB 10-2:113 10 ASN HN 5.50 (# 113:10 Single Ambig)
&rst
ixpk= 113, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1565,1566, 162, 163, 164, 166, 167, 168,
&end
#
# 10 ASN HN 11 VAL HN 5.50 (# 114:10 Unique 4.30, 4.33 A)
&rst
ixpk= 114, nxpk= 10, iat= 142, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HN 11 VAL HN 5.50 (# 115:10 Unique 2.05, 2.44 A)
&rst
ixpk= 115, nxpk= 10, iat= 602, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HN 11 VAL HN 5.50 (# 116:10 Unique 1.91, 2.42 A)
&rst
ixpk= 116, nxpk= 10, iat= 609, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 LYS HN 11 VAL HN 5.50 (# 117:10 Unique 4.43, 4.87 A)
&rst
ixpk= 117, nxpk= 10, iat=1594, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLY HN 11 VAL HN 5.50 (# 118:10 Unique 4.00, 4.13 A)
&rst
ixpk= 118, nxpk= 10, iat= 172, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HN 11 VAL HN 5.50 (# 119:10 Unique 4.10, 4.39 A)
&rst
ixpk= 119, nxpk= 10, iat= 616, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2+ 11 VAL HN 5.50 (# 120:10 Unique 4.01, 5.16 A)
&rst
ixpk= 120, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 10 ASN HD2- 11 VAL HN 5.50 (# 121:10 Unique 4.01, 5.16 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 11 VAL HA 11 VAL HN 5.50 (# 122:10 Unique 2.88, 2.91 A)
&rst
ixpk= 122, nxpk= 10, iat= 158, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLN HA 11 VAL HN 5.50 (# 123:10 Unique 3.02, 3.62 A)
&rst
ixpk= 123, nxpk= 10, iat= 587, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HA 11 VAL HN 3.50 (# 124:10 Unique 2.57, 2.72 A)
&rst
ixpk= 124, nxpk= 10, iat= 144, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLY HA+ 11 VAL HN 5.50 (# 126:10 Unique 3.54, 4.55 A)
&rst
ixpk= 126, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 611, 612,
&end
#
# 0 AMB 10-2:127 11 VAL HN 5.50 (# 127:10 Single Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 618,
&end
#
# 39 GLY HA- 11 VAL HN 5.50 (# 128:10 Unique 3.54, 4.55 A)
&rst
ixpk= 128, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 611, 612,
&end
#
# 10 ASN HB+ 11 VAL HN 4.50 (# 129:10 Unique 1.88, 2.45 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 146, 147,
&end
#
# 10 ASN HB- 11 VAL HN 4.50 (# 130:10 Unique 1.88, 2.45 A)
&rst
ixpk= 130, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 146, 147,
&end
#
# 97 GLN HB+ 11 VAL HN 5.50 (# 131:10 Unique 2.76, 3.74 A)
&rst
ixpk= 131, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1581,1582,
&end
#
# 11 VAL HB 11 VAL HN 5.50 (# 133:10 Unique 3.31, 3.80 A)
&rst
ixpk= 133, nxpk= 10, iat= 160, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:134 11 VAL HN 5.50 (# 134:10 Single Ambig)
&rst
ixpk= 134, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 742, 743, 744, 620, 755, 756,1542,1543, 183,
&end
#
# 0 AMB 10-2:135 11 VAL HN 5.50 (# 135:10 Single Ambig)
&rst
ixpk= 135, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 814, 815, 816, 189, 190,
&end
#
# 11 VAL MGY 11 VAL HN 3.50 (# 136:10 Unique 2.06, 3.69 A)
&rst
ixpk= 136, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 40 ILE HG1+ 11 VAL HN 5.50 (# 137:10 Unique 3.63, 4.71 A)
&rst
ixpk= 137, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 11 VAL MGX 11 VAL HN 3.50 (# 138:10 Unique 2.06, 3.69 A)
&rst
ixpk= 138, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL HN 12 GLY HN 5.50 (# 139:10 Unique 4.00, 4.13 A)
&rst
ixpk= 139, nxpk= 10, iat= 156, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 PHE HN 12 GLY HN 5.50 (# 140:10 Unique 4.01, 4.55 A)
&rst
ixpk= 140, nxpk= 10, iat=1640, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 LYS HN 12 GLY HN 5.50 (# 141:10 Unique 2.24, 2.95 A)
&rst
ixpk= 141, nxpk= 10, iat=1594, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HD1 12 GLY HN 5.50 (# 143:10 Unique 3.15, 4.74 A)
&rst
ixpk= 143, nxpk= 10, iat=1624, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HA 12 GLY HN 4.50 (# 144:10 Unique 2.14, 2.15 A)
&rst
ixpk= 144, nxpk= 10, iat= 158, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 TRP HA 12 GLY HN 4.50 (# 145:10 Unique 2.97, 3.30 A)
&rst
ixpk= 145, nxpk= 10, iat=1618, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 GLY HA+ 12 GLY HN 5.50 (# 146:10 Unique 2.30, 2.61 A)
&rst
ixpk= 146, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 175,
&end
#
# 99 TRP HB+ 12 GLY HN 5.50 (# 147:10 Unique 5.14, 5.58 A)
&rst
ixpk= 147, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1620,1621,
&end
#
# 0 AMB 10-2:148 12 GLY HN 5.50 (# 148:10 Single Ambig)
&rst
ixpk= 148, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 146, 147,1644,1645,1644,1645,
&end
#
# 97 GLN HB+ 12 GLY HN 5.50 (# 149:10 Unique 2.02, 3.14 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1581,1582,
&end
#
# 0 AMB 10-2:150 12 GLY HN 5.50 (# 150:10 Single Ambig)
&rst
ixpk= 150, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 589, 590, 790, 791,
&end
#
# 11 VAL HB 12 GLY HN 4.50 (# 151:10 Unique 2.96, 3.40 A)
&rst
ixpk= 151, nxpk= 10, iat= 160, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:152 12 GLY HN 5.50 (# 152:10 Single Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 755, 756, 700, 701, 702, 183,
&end
#
# 0 AMB 10-2:153 12 GLY HN 5.50 (# 153:10 Single Ambig)
&rst
ixpk= 153, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 189, 190, 752, 753, 814, 815, 816,
&end
#
# 11 VAL MGY 12 GLY HN 4.50 (# 154:10 Unique 3.15, 4.89 A)
&rst
ixpk= 154, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 12 GLY HA- 12 GLY HN 5.50 (# 155:10 Unique 2.30, 2.61 A)
&rst
ixpk= 155, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 175,
&end
#
# 0 AMB 10-2:156 12 GLY HN 4.50 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 162, 163, 164, 166, 167, 168,1601,1602,
&end
#
# 97 GLN HA 12 GLY HN 5.50 (# 157:10 Unique 3.65, 4.17 A)
&rst
ixpk= 157, nxpk= 10, iat=1579, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HN 13 ILE HN 5.50 (# 158:10 Unique 4.06, 4.40 A)
&rst
ixpk= 158, nxpk= 10, iat= 198, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:162 13 ILE HN 4.50 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 587,1618,
&end
#
# 13 ILE HA 13 ILE HN 5.50 (# 163:10 Unique 2.90, 2.92 A)
&rst
ixpk= 163, nxpk= 10, iat= 181, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PRO HB+ 13 ILE HN 5.50 (# 164:10 Unique 2.29, 3.42 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 578, 579,
&end
#
# 13 ILE HB 13 ILE HN 4.50 (# 166:10 Unique 2.26, 2.48 A)
&rst
ixpk= 166, nxpk= 10, iat= 183, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ILE HG1- 13 ILE HN 5.50 (# 167:10 Unique 2.34, 3.62 A)
&rst
ixpk= 167, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 189, 190,
&end
#
# 12 GLY HA- 13 ILE HN 3.50 (# 168:10 Unique 2.14, 2.65 A)
&rst
ixpk= 168, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 174, 175,
&end
#
# 14 VAL MGX 13 ILE HN 5.50 (# 169:10 Unique 3.52, 6.07 A)
&rst
ixpk= 169, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 102 LEU HN 14 VAL HN 5.50 (# 170:10 Unique 3.15, 3.67 A)
&rst
ixpk= 170, nxpk= 10, iat=1679, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 PHE HN 14 VAL HN 5.50 (# 172:10 Unique 3.63, 3.99 A)
&rst
ixpk= 172, nxpk= 10, iat=1640, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ILE HN 14 VAL HN 5.50 (# 173:10 Unique 4.06, 4.40 A)
&rst
ixpk= 173, nxpk= 10, iat= 179, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HE3 14 VAL HN 5.50 (# 174:10 Unique 4.70, 5.11 A)
&rst
ixpk= 174, nxpk= 10, iat=1635, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HA 14 VAL HN 5.50 (# 177:10 Unique 4.70, 5.12 A)
&rst
ixpk= 177, nxpk= 10, iat=1618, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU HA 14 VAL HN 5.50 (# 178:10 Unique 3.55, 4.18 A)
&rst
ixpk= 178, nxpk= 10, iat=1662, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ILE HA 14 VAL HN 4.50 (# 180:10 Unique 2.14, 2.16 A)
&rst
ixpk= 180, nxpk= 10, iat= 181, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 VAL HA 14 VAL HN 5.50 (# 181:10 Unique 2.93, 2.94 A)
&rst
ixpk= 181, nxpk= 10, iat= 200, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:182 14 VAL HN 5.50 (# 182:10 Single Ambig)
&rst
ixpk= 182, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1644,1645,1644,1645,
&end
#
# 14 VAL HB 14 VAL HN 5.50 (# 183:10 Unique 2.69, 2.92 A)
&rst
ixpk= 183, nxpk= 10, iat= 202, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:184 14 VAL HN 5.50 (# 184:10 Single Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 218, 578, 579,
&end
#
# 0 AMB 10-2:185 14 VAL HN 5.50 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1686, 183,
&end
#
# 0 AMB 10-2:187 14 VAL HN 5.50 (# 187:10 Single Ambig)
&rst
ixpk= 187, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1683,1684, 189, 190,
&end
#
# 0 AMB 10-2:188 14 VAL HN 5.50 (# 188:10 Single Ambig)
&rst
ixpk= 188, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1664,1665,1667, 162, 163, 164, 166, 167, 168,
&end
#
# 13 ILE QG2 14 VAL HN 3.50 (# 189:10 Unique 2.23, 3.45 A)
&rst
ixpk= 189, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 185, 186, 187,
&end
#
# 0 AMB 10-2:190 14 VAL HN 4.50 (# 190:10 Single Ambig)
&rst
ixpk= 190, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 192, 193, 194, 189, 190,
&end
#
# 14 VAL MGX 14 VAL HN 4.50 (# 191:10 Unique 2.53, 4.13 A)
&rst
ixpk= 191, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL MGX 15 ILE HN 5.50 (# 192:10 Unique 3.57, 4.93 A)
&rst
ixpk= 192, nxpk= 10, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 10-2:193 15 ILE HN 4.50 (# 193:10 Single Ambig)
&rst
ixpk= 193, nxpk= 10, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 192, 193, 194, 189, 190, 921, 922, 923, 925, 926,
927, 921, 922, 923, 925, 926, 927,
&end
#
# 0 AMB 10-2:194 15 ILE HN 3.50 (# 194:10 Single Ambig)
&rst
ixpk= 194, nxpk= 10, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 185, 186, 187, 227, 228, 229,
&end
#
# 0 AMB 10-2:195 15 ILE HN 4.50 (# 195:10 Single Ambig)
&rst
ixpk= 195, nxpk= 10, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 329, 330, 331, 333, 334, 335, 220, 221, 222,
&end
#
# 15 ILE HG1- 15 ILE HN 5.50 (# 197:10 Unique 2.38, 3.22 A)
&rst
ixpk= 197, nxpk= 10, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 224, 225,
&end
#
# 15 ILE HB 15 ILE HN 5.50 (# 198:10 Unique 2.23, 2.42 A)
&rst
ixpk= 198, nxpk= 10, iat= 218, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HA 15 ILE HN 5.50 (# 199:10 Unique 2.27, 2.28 A)
&rst
ixpk= 199, nxpk= 10, iat= 200, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ILE HA 15 ILE HN 5.50 (# 201:10 Unique 2.88, 2.91 A)
&rst
ixpk= 201, nxpk= 10, iat= 216, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HN 15 ILE HN 5.50 (# 203:10 Unique 3.54, 3.65 A)
&rst
ixpk= 203, nxpk= 10, iat= 198, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 CYS HN 15 ILE HN 5.50 (# 204:10 Unique 4.14, 4.35 A)
&rst
ixpk= 204, nxpk= 10, iat= 233, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ILE HN 16 CYS HN 5.50 (# 205:10 Unique 4.14, 4.35 A)
&rst
ixpk= 205, nxpk= 10, iat= 214, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:206 16 CYS HN 5.50 (# 206:10 Single Ambig)
&rst
ixpk= 206, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1698, 198,
&end
#
# 104 LEU HN 16 CYS HN 5.50 (# 207:10 Unique 2.51, 3.63 A)
&rst
ixpk= 207, nxpk= 10, iat=1715, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HN 16 CYS HN 5.50 (# 208:10 Unique 4.23, 4.43 A)
&rst
ixpk= 208, nxpk= 10, iat= 244, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HE2+ 16 CYS HN 5.50 (# 209:10 Unique 3.42, 4.37 A)
&rst
ixpk= 209, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1710,1711,
&end
#
# 16 CYS HA 16 CYS HN 5.50 (# 210:10 Unique 2.92, 2.93 A)
&rst
ixpk= 210, nxpk= 10, iat= 235, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HA 16 CYS HN 4.50 (# 211:10 Unique 2.40, 3.20 A)
&rst
ixpk= 211, nxpk= 10, iat=1700, 233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 ILE HA 16 CYS HN 3.50 (# 212:10 Unique 2.14, 2.18 A)
&rst
ixpk= 212, nxpk= 10, iat= 216, 233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 CYS HB+ 16 CYS HN 5.50 (# 213:10 Unique 2.23, 3.01 A)
&rst
ixpk= 213, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 238,
&end
#
# 16 CYS HB- 16 CYS HN 5.50 (# 214:10 Unique 2.23, 3.01 A)
&rst
ixpk= 214, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 238,
&end
#
# 0 AMB 10-2:215 16 CYS HN 5.50 (# 215:10 Single Ambig)
&rst
ixpk= 215, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1705,1706,1705,1706,
&end
#
# 0 AMB 10-2:216 16 CYS HN 5.50 (# 216:10 Single Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 265, 266, 262, 263,1020,1021,
&end
#
# 102 LEU HB+ 16 CYS HN 4.50 (# 217:10 Unique 3.74, 4.64 A)
&rst
ixpk= 217, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1683,1684,
&end
#
# 15 ILE QG2 16 CYS HN 3.50 (# 219:10 Unique 2.30, 3.79 A)
&rst
ixpk= 219, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 220, 221, 222,
&end
#
# 101 LEU MDX 16 CYS HN 4.50 (# 220:10 Unique 2.62, 5.16 A)
&rst
ixpk= 220, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1669,1670,1671,1673,1674,1675,
&end
#
# 15 ILE QD1 16 CYS HN 3.50 (# 221:10 Unique 2.50, 4.64 A)
&rst
ixpk= 221, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 227, 228, 229,
&end
#
# 16 CYS HN 17 ASN HN 5.50 (# 222:10 Unique 4.23, 4.43 A)
&rst
ixpk= 222, nxpk= 10, iat= 233, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLY HN 17 ASN HN 5.50 (# 224:10 Unique 2.91, 3.85 A)
&rst
ixpk= 224, nxpk= 10, iat= 299, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLN HN 17 ASN HN 5.50 (# 225:10 Unique 2.54, 3.31 A)
&rst
ixpk= 225, nxpk= 10, iat= 306, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HD2+ 17 ASN HN 5.50 (# 228:10 Unique 1.87, 2.91 A)
&rst
ixpk= 228, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 253, 254,
&end
#
# 16 CYS HA 17 ASN HN 4.50 (# 229:10 Unique 2.14, 2.16 A)
&rst
ixpk= 229, nxpk= 10, iat= 235, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 VAL HA 17 ASN HN 5.50 (# 230:10 Unique 4.12, 4.82 A)
&rst
ixpk= 230, nxpk= 10, iat= 325, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HA 17 ASN HN 4.50 (# 231:10 Unique 2.79, 2.89 A)
&rst
ixpk= 231, nxpk= 10, iat= 246, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ASN HB+ 17 ASN HN 4.50 (# 232:10 Unique 2.28, 3.17 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 248, 249,
&end
#
# 16 CYS HB+ 17 ASN HN 4.50 (# 233:10 Unique 2.91, 3.84 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 16 CYS HB- 17 ASN HN 4.50 (# 234:10 Unique 2.91, 3.84 A)
&rst
ixpk= 234, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 0 AMB 10-2:235 17 ASN HN 5.50 (# 235:10 Single Ambig)
&rst
ixpk= 235, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 289, 290,1719,1720, 286, 287, 313, 314,
&end
#
# 0 AMB 10-2:236 17 ASN HN 5.50 (# 236:10 Single Ambig)
&rst
ixpk= 236, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 286, 287, 262, 263,
&end
#
# 18 ARG HG- 17 ASN HN 5.50 (# 237:10 Unique 4.74, 6.01 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 265, 266,
&end
#
# 0 AMB 10-2:238 17 ASN HN 5.50 (# 238:10 Single Ambig)
&rst
ixpk= 238, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,2565,2566,2567,2569,
2570,2571,
&end
#
# 0 AMB 10-2:239 17 ASN HN 5.50 (# 239:10 Single Ambig)
&rst
ixpk= 239, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1669,1670,1671,1673,1674,1675, 921, 922, 923, 925,
926, 927, 921, 922, 923, 925, 926, 927,
&end
#
# 0 AMB 10-2:240 17 ASN HN 5.50 (# 240:10 Single Ambig)
&rst
ixpk= 240, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 329, 330, 331, 333, 334, 335,1006,1007,1008,1010,
1011,1012,
&end
#
# 17 ASN HN 18 ARG HN 5.50 (# 242:10 Unique 2.44, 3.50 A)
&rst
ixpk= 242, nxpk= 10, iat= 244, 258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLN HN 18 ARG HN 4.50 (# 243:10 Unique 1.78, 2.78 A)
&rst
ixpk= 243, nxpk= 10, iat= 282, 258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 GLN HE2+ 18 ARG HN 5.50 (# 244:10 Unique 3.25, 5.45 A)
&rst
ixpk= 244, nxpk= 10, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1710,1711,
&end
#
# 17 ASN HD2+ 18 ARG HN 5.50 (# 245:10 Unique 4.08, 5.28 A)
&rst
ixpk= 245, nxpk= 10, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 253, 254,
&end
#
# 17 ASN HA 18 ARG HN 3.50 (# 246:10 Unique 2.33, 2.83 A)
&rst
ixpk= 246, nxpk= 10, iat= 246, 258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 GLN HA 18 ARG HN 5.50 (# 247:10 Unique 4.32, 5.20 A)
&rst
ixpk= 247, nxpk= 10, iat= 284, 258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ARG HA 18 ARG HN 3.50 (# 248:10 Unique 2.27, 2.52 A)
&rst
ixpk= 248, nxpk= 10, iat= 260, 258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:249 18 ARG HN 5.50 (# 249:10 Single Ambig)
&rst
ixpk= 249, nxpk= 10, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 268, 269, 268, 269,
&end
#
# 17 ASN HB+ 18 ARG HN 4.50 (# 250:10 Unique 1.90, 3.64 A)
&rst
ixpk= 250, nxpk= 10, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 248, 249,
&end
#
# 0 AMB 10-2:251 18 ARG HN 5.50 (# 251:10 Single Ambig)
&rst
ixpk= 251, nxpk= 10, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 289, 290,1719,1720, 286, 287,
&end
#
# 18 ARG HB+ 18 ARG HN 3.50 (# 252:10 Unique 2.72, 3.57 A)
&rst
ixpk= 252, nxpk= 10, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 262, 263,
&end
#
# 18 ARG HG+ 18 ARG HN 2.80 (# 253:10 Unique 1.79, 3.11 A)
&rst
ixpk= 253, nxpk= 10, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 265, 266,
&end
#
# 18 ARG HG- 18 ARG HN 3.50 (# 254:10 Unique 1.79, 3.11 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 265, 266,
&end
#
# 104 LEU MDY 18 ARG HN 5.50 (# 255:10 Unique 4.10, 6.64 A)
&rst
ixpk= 255, nxpk= 10, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 10-2:256 18 ARG HN 5.50 (# 256:10 Single Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2612,2613,2614,2616,2617,2618,2612,2613,2614,2616,
2617,2618,2565,2566,2567,2569,2570,2571,
&end
#
# 20 GLY HN 19 GLN HN 3.50 (# 257:10 Unique 1.70, 2.08 A)
&rst
ixpk= 257, nxpk= 10, iat= 299, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ARG HN 19 GLN HN 3.50 (# 258:10 Unique 1.78, 2.78 A)
&rst
ixpk= 258, nxpk= 10, iat= 258, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ASN HN 19 GLN HN 5.50 (# 259:10 Unique 3.12, 3.89 A)
&rst
ixpk= 259, nxpk= 10, iat= 244, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:260 19 GLN HN 5.50 (# 260:10 Single Ambig)
&rst
ixpk= 260, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 294, 295,2634,2635,
&end
#
# 17 ASN HD2+ 19 GLN HN 5.50 (# 261:10 Unique 3.48, 5.59 A)
&rst
ixpk= 261, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 253, 254,
&end
#
# 17 ASN HA 19 GLN HN 5.50 (# 262:10 Unique 3.88, 4.31 A)
&rst
ixpk= 262, nxpk= 10, iat= 246, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLN HA 19 GLN HN 3.50 (# 265:10 Unique 2.73, 2.90 A)
&rst
ixpk= 265, nxpk= 10, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ARG HA 19 GLN HN 3.50 (# 266:10 Unique 2.80, 3.15 A)
&rst
ixpk= 266, nxpk= 10, iat= 260, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 GLY HA- 19 GLN HN 5.50 (# 267:10 Unique 3.80, 4.49 A)
&rst
ixpk= 267, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 301, 302,
&end
#
# 0 AMB 10-2:268 19 GLN HN 5.50 (# 268:10 Single Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 268, 269, 268, 269,
&end
#
# 17 ASN HB+ 19 GLN HN 4.50 (# 269:10 Unique 2.09, 3.64 A)
&rst
ixpk= 269, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 248, 249,
&end
#
# 0 AMB 10-2:270 19 GLN HN 2.80 (# 270:10 Single Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 289, 290, 286, 287,
&end
#
# 18 ARG HB+ 19 GLN HN 4.50 (# 271:10 Unique 1.78, 4.05 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 262, 263,
&end
#
# 0 AMB 10-2:272 19 GLN HN 2.80 (# 272:10 Single Ambig)
&rst
ixpk= 272, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 262, 263, 286, 287,
&end
#
# 18 ARG HG- 19 GLN HN 4.50 (# 273:10 Unique 2.83, 4.42 A)
&rst
ixpk= 273, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 265, 266,
&end
#
# 0 AMB 10-2:274 19 GLN HN 5.50 (# 274:10 Single Ambig)
&rst
ixpk= 274, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1724,1725,1726,1728,1729,1730,1667,
&end
#
# 0 AMB 10-2:275 19 GLN HN 5.50 (# 275:10 Single Ambig)
&rst
ixpk= 275, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2565,2566,2567,2569,2570,2571,2612,2613,2614,2616,
2617,2618,
&end
#
# 18 ARG HN 20 GLY HN 5.50 (# 277:10 Unique 3.40, 3.95 A)
&rst
ixpk= 277, nxpk= 10, iat= 258, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HN 20 GLY HN 5.50 (# 278:10 Unique 2.91, 3.85 A)
&rst
ixpk= 278, nxpk= 10, iat= 244, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLN HN 20 GLY HN 2.80 (# 279:10 Unique 1.70, 2.08 A)
&rst
ixpk= 279, nxpk= 10, iat= 282, 299, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 GLN HA 20 GLY HN 4.50 (# 283:10 Unique 2.93, 3.27 A)
&rst
ixpk= 283, nxpk= 10, iat= 284, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 GLY HA+ 20 GLY HN 3.50 (# 284:10 Unique 2.30, 2.67 A)
&rst
ixpk= 284, nxpk= 10, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 301, 302,
&end
#
# 20 GLY HA- 20 GLY HN 3.50 (# 285:10 Unique 2.30, 2.67 A)
&rst
ixpk= 285, nxpk= 10, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 301, 302,
&end
#
# 16 CYS HB+ 20 GLY HN 5.50 (# 286:10 Unique 2.98, 5.26 A)
&rst
ixpk= 286, nxpk= 10, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 238,
&end
#
# 17 ASN HB+ 20 GLY HN 5.50 (# 287:10 Unique 2.07, 4.66 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 248, 249,
&end
#
# 0 AMB 10-2:288 20 GLY HN 5.50 (# 288:10 Single Ambig)
&rst
ixpk= 288, nxpk= 10, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2629,2630,2629,2630,
&end
#
# 0 AMB 10-2:289 20 GLY HN 5.50 (# 289:10 Single Ambig)
&rst
ixpk= 289, nxpk= 10, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 262, 263,2586,2587,2588,
&end
#
# 0 AMB 10-2:290 20 GLY HN 4.50 (# 290:10 Single Ambig)
&rst
ixpk= 290, nxpk= 10, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 289, 290, 286, 287,
&end
#
# 19 GLN HB- 20 GLY HN 4.50 (# 291:10 Unique 2.77, 3.94 A)
&rst
ixpk= 291, nxpk= 10, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 286, 287,
&end
#
# 18 ARG HG- 20 GLY HN 5.50 (# 292:10 Unique 4.73, 6.03 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 265, 266,
&end
#
# 155 VAL MGX 20 GLY HN 4.50 (# 293:10 Unique 2.18, 5.15 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2565,2566,2567,2569,2570,2571,
&end
#
# 22 VAL HN 21 GLN HN 5.50 (# 295:10 Unique 3.81, 4.28 A)
&rst
ixpk= 295, nxpk= 10, iat= 323, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLY HN 21 GLN HN 3.50 (# 296:10 Unique 1.77, 2.21 A)
&rst
ixpk= 296, nxpk= 10, iat= 299, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ARG HN 21 GLN HN 5.50 (# 297:10 Unique 3.83, 4.88 A)
&rst
ixpk= 297, nxpk= 10, iat= 258, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HN 21 GLN HN 5.50 (# 298:10 Unique 2.54, 3.31 A)
&rst
ixpk= 298, nxpk= 10, iat= 244, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:299 21 GLN HN 5.50 (# 299:10 Single Ambig)
&rst
ixpk= 299, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2634,2635, 294, 295,
&end
#
# 0 AMB 10-2:302 21 GLN HN 5.50 (# 302:10 Single Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 318, 319, 235,
&end
#
# 19 GLN HA 21 GLN HN 5.50 (# 305:10 Unique 3.51, 4.87 A)
&rst
ixpk= 305, nxpk= 10, iat= 284, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLY HA+ 21 GLN HN 4.50 (# 306:10 Unique 2.70, 3.20 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 301, 302,
&end
#
# 20 GLY HA- 21 GLN HN 4.50 (# 307:10 Unique 2.70, 3.20 A)
&rst
ixpk= 307, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 301, 302,
&end
#
# 0 AMB 10-2:308 21 GLN HN 5.50 (# 308:10 Single Ambig)
&rst
ixpk= 308, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 248, 249,2042,2043,
&end
#
# 129 TYR HB+ 21 GLN HN 5.50 (# 309:10 Unique 4.57, 6.43 A)
&rst
ixpk= 309, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2093,2094,
&end
#
# 16 CYS HB- 21 GLN HN 5.50 (# 310:10 Unique 2.83, 4.83 A)
&rst
ixpk= 310, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 238,
&end
#
# 0 AMB 10-2:311 21 GLN HN 3.50 (# 311:10 Single Ambig)
&rst
ixpk= 311, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 289, 290, 310, 311,
&end
#
# 0 AMB 10-2:312 21 GLN HN 3.50 (# 312:10 Single Ambig)
&rst
ixpk= 312, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 310, 311, 286, 287,
&end
#
# 0 AMB 10-2:313 21 GLN HN 4.50 (# 313:10 Single Ambig)
&rst
ixpk= 313, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 313, 314, 289, 290,
&end
#
# 22 VAL MGY 21 GLN HN 4.50 (# 316:10 Unique 4.87, 6.84 A)
&rst
ixpk= 316, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 10-2:317 21 GLN HN 5.50 (# 317:10 Single Ambig)
&rst
ixpk= 317, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2612,2613,2614,2616,2617,2618,2549,2550,2551,2553,
2554,2555,
&end
#
# 127 VAL HN 22 VAL HN 5.50 (# 318:10 Unique 2.48, 3.30 A)
&rst
ixpk= 318, nxpk= 10, iat=2062, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLN HN 22 VAL HN 5.50 (# 320:10 Unique 3.81, 4.28 A)
&rst
ixpk= 320, nxpk= 10, iat= 306, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:323 22 VAL HN 5.50 (# 323:10 Single Ambig)
&rst
ixpk= 323, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 235, 318, 319,
&end
#
# 126 TRP HA 22 VAL HN 5.50 (# 325:10 Unique 4.09, 5.02 A)
&rst
ixpk= 325, nxpk= 10, iat=2040, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 SER HA 22 VAL HN 5.50 (# 327:10 Unique 4.31, 5.12 A)
&rst
ixpk= 327, nxpk= 10, iat=2080, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:328 22 VAL HN 5.50 (# 328:10 Single Ambig)
&rst
ixpk= 328, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2042,2043,2042,2043,
&end
#
# 0 AMB 10-2:329 22 VAL HN 5.50 (# 329:10 Single Ambig)
&rst
ixpk= 329, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 310, 311, 327,
&end
#
# 21 GLN HG+ 22 VAL HN 4.50 (# 330:10 Unique 3.58, 4.47 A)
&rst
ixpk= 330, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 313, 314,
&end
#
# 21 GLN HB- 22 VAL HN 5.50 (# 331:10 Unique 1.81, 2.76 A)
&rst
ixpk= 331, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 310, 311,
&end
#
# 22 VAL MGX 22 VAL HN 3.50 (# 332:10 Unique 1.93, 3.62 A)
&rst
ixpk= 332, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 127 VAL MGX 22 VAL HN 5.50 (# 333:10 Unique 2.73, 5.43 A)
&rst
ixpk= 333, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL MGY 22 VAL HN 5.50 (# 334:10 Unique 2.73, 5.43 A)
&rst
ixpk= 334, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 24 TRP HN 23 MET HN 5.50 (# 336:10 Unique 4.11, 4.42 A)
&rst
ixpk= 336, nxpk= 10, iat= 356, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HN 23 MET HN 5.50 (# 337:10 Unique 5.00, 5.40 A)
&rst
ixpk= 337, nxpk= 10, iat= 244, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 CYS HA 23 MET HN 5.50 (# 341:10 Unique 3.63, 4.09 A)
&rst
ixpk= 341, nxpk= 10, iat= 235, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 VAL HA 23 MET HN 5.50 (# 342:10 Unique 2.15, 2.21 A)
&rst
ixpk= 342, nxpk= 10, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HA 23 MET HN 5.50 (# 343:10 Unique 2.72, 2.78 A)
&rst
ixpk= 343, nxpk= 10, iat= 341, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 TRP HB- 23 MET HN 5.50 (# 344:10 Unique 5.11, 6.33 A)
&rst
ixpk= 344, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 360, 361,
&end
#
# 22 VAL HB 23 MET HN 5.50 (# 345:10 Unique 2.36, 3.42 A)
&rst
ixpk= 345, nxpk= 10, iat= 327, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:346 23 MET HN 5.50 (# 346:10 Single Ambig)
&rst
ixpk= 346, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 343, 344, 343, 344,
&end
#
# 0 AMB 10-2:348 23 MET HN 5.50 (# 348:10 Single Ambig)
&rst
ixpk= 348, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 224, 225,1683,1684,2563,
&end
#
# 22 VAL MGX 23 MET HN 4.50 (# 350:10 Unique 2.01, 4.43 A)
&rst
ixpk= 350, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 10-2:351 23 MET HN 5.50 (# 351:10 Single Ambig)
&rst
ixpk= 351, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 185, 186, 187, 227, 228, 229, 829, 830, 831, 833,
834, 835,
&end
#
# 14 VAL MGY 23 MET HN 5.50 (# 352:10 Unique 3.29, 5.93 A)
&rst
ixpk= 352, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 125 ARG HN 24 TRP HN 5.50 (# 353:10 Unique 3.79, 4.78 A)
&rst
ixpk= 353, nxpk= 10, iat=2014, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HN 24 TRP HN 5.50 (# 354:10 Unique 3.98, 4.27 A)
&rst
ixpk= 354, nxpk= 10, iat= 380, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 TRP HH2 24 TRP HN 5.50 (# 355:10 Unique 4.85, 5.32 A)
&rst
ixpk= 355, nxpk= 10, iat=2053, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:357 24 TRP HN 5.50 (# 357:10 Single Ambig)
&rst
ixpk= 357, nxpk= 10, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 364,2142,2151,
&end
#
# 0 AMB 10-2:358 24 TRP HN 5.50 (# 358:10 Single Ambig)
&rst
ixpk= 358, nxpk= 10, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2040, 358,
&end
#
# 23 MET HA 24 TRP HN 5.50 (# 359:10 Unique 2.14, 2.16 A)
&rst
ixpk= 359, nxpk= 10, iat= 341, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 TRP HB+ 24 TRP HN 5.50 (# 360:10 Unique 2.33, 2.82 A)
&rst
ixpk= 360, nxpk= 10, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 360, 361,
&end
#
# 24 TRP HB- 24 TRP HN 5.50 (# 361:10 Unique 2.33, 2.82 A)
&rst
ixpk= 361, nxpk= 10, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 360, 361,
&end
#
# 113 MET ME 24 TRP HN 5.50 (# 362:10 Unique 3.99, 5.49 A)
&rst
ixpk= 362, nxpk= 10, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1849,1850,1851,
&end
#
# 127 VAL MGX 24 TRP HN 5.50 (# 364:10 Unique 3.93, 6.13 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL MGY 24 TRP HN 5.50 (# 365:10 Unique 3.93, 6.13 A)
&rst
ixpk= 365, nxpk= 10, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 24 TRP HA 25 ALA HN 5.50 (# 371:10 Unique 2.14, 2.15 A)
&rst
ixpk= 371, nxpk= 10, iat= 358, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HA 25 ALA HN 5.50 (# 372:10 Unique 2.92, 2.94 A)
&rst
ixpk= 372, nxpk= 10, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 TRP HB- 25 ALA HN 5.50 (# 373:10 Unique 3.56, 4.22 A)
&rst
ixpk= 373, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 360, 361,
&end
#
# 0 AMB 10-2:374 25 ALA HN 5.50 (# 374:10 Single Ambig)
&rst
ixpk= 374, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1849,1850,1851,1842,1843,1842,1843,
&end
#
# 25 ALA MB 25 ALA HN 4.50 (# 375:10 Unique 2.56, 3.24 A)
&rst
ixpk= 375, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 384, 385, 386,
&end
#
# 125 ARG HN 26 ARG HN 5.50 (# 376:10 Unique 3.98, 5.06 A)
&rst
ixpk= 376, nxpk= 10, iat=2014, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASP HN 26 ARG HN 5.50 (# 377:10 Unique 3.16, 4.26 A)
&rst
ixpk= 377, nxpk= 10, iat=1971, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG HE 26 ARG HN 5.50 (# 378:10 Unique 2.65, 4.34 A)
&rst
ixpk= 378, nxpk= 10, iat= 403, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 GLY HN 26 ARG HN 5.50 (# 379:10 Unique 2.06, 3.13 A)
&rst
ixpk= 379, nxpk= 10, iat=1983, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 TRP HA 26 ARG HN 5.50 (# 382:10 Unique 3.89, 5.78 A)
&rst
ixpk= 382, nxpk= 10, iat=1992, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HA 26 ARG HN 5.50 (# 383:10 Unique 2.14, 2.16 A)
&rst
ixpk= 383, nxpk= 10, iat= 382, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 PHE HB+ 26 ARG HN 5.50 (# 384:10 Unique 3.24, 4.57 A)
&rst
ixpk= 384, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1955,1956,
&end
#
# 0 AMB 10-2:385 26 ARG HN 5.50 (# 385:10 Single Ambig)
&rst
ixpk= 385, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1994,1995, 400, 401, 400, 401,
&end
#
# 0 AMB 10-2:386 26 ARG HN 5.50 (# 386:10 Single Ambig)
&rst
ixpk= 386, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1975,1976, 360, 361,
&end
#
# 0 AMB 10-2:387 26 ARG HN 5.50 (# 387:10 Single Ambig)
&rst
ixpk= 387, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1849,1850,1851,1842,1843,1842,1843,
&end
#
# 0 AMB 10-2:388 26 ARG HN 5.50 (# 388:10 Single Ambig)
&rst
ixpk= 388, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 394, 395, 394, 395,
&end
#
# 25 ALA MB 26 ARG HN 4.50 (# 389:10 Unique 2.76, 3.97 A)
&rst
ixpk= 389, nxpk= 10, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 384, 385, 386,
&end
#
# 26 ARG HG- 27 ARG HN 5.50 (# 392:10 Unique 2.21, 3.27 A)
&rst
ixpk= 392, nxpk= 10, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 26 ARG HG+ 27 ARG HN 5.50 (# 394:10 Unique 2.21, 3.27 A)
&rst
ixpk= 394, nxpk= 10, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 27 ARG HG- 27 ARG HN 5.50 (# 395:10 Unique 3.37, 4.26 A)
&rst
ixpk= 395, nxpk= 10, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 421, 422,
&end
#
# 27 ARG HB- 27 ARG HN 4.50 (# 396:10 Unique 2.07, 2.62 A)
&rst
ixpk= 396, nxpk= 10, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 418, 419,
&end
#
# 27 ARG HB+ 27 ARG HN 4.50 (# 397:10 Unique 2.07, 2.62 A)
&rst
ixpk= 397, nxpk= 10, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 418, 419,
&end
#
# 0 AMB 10-2:398 27 ARG HN 5.50 (# 398:10 Single Ambig)
&rst
ixpk= 398, nxpk= 10, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 472, 473, 472, 473,
&end
#
# 27 ARG HD- 27 ARG HN 5.50 (# 400:10 Unique 2.84, 4.77 A)
&rst
ixpk= 400, nxpk= 10, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 424, 425,
&end
#
# 0 AMB 10-2:401 27 ARG HN 5.50 (# 401:10 Single Ambig)
&rst
ixpk= 401, nxpk= 10, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 424, 425, 400, 401, 400, 401,
&end
#
# 0 AMB 10-2:402 27 ARG HN 5.50 (# 402:10 Single Ambig)
&rst
ixpk= 402, nxpk= 10, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 392,1955,1956,
&end
#
# 27 ARG HA 27 ARG HN 5.50 (# 403:10 Unique 2.74, 2.81 A)
&rst
ixpk= 403, nxpk= 10, iat= 416, 414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HA 27 ARG HN 5.50 (# 404:10 Unique 2.80, 3.29 A)
&rst
ixpk= 404, nxpk= 10, iat= 512, 414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 SER HN 27 ARG HN 5.50 (# 405:10 Unique 1.89, 3.01 A)
&rst
ixpk= 405, nxpk= 10, iat= 499, 414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HN 27 ARG HN 5.50 (# 407:10 Unique 4.41, 4.77 A)
&rst
ixpk= 407, nxpk= 10, iat= 510, 414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASP HN 27 ARG HN 5.50 (# 408:10 Unique 4.66, 4.98 A)
&rst
ixpk= 408, nxpk= 10, iat=1971, 414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASP HN 28 PHE HN 5.50 (# 409:10 Unique 1.89, 3.19 A)
&rst
ixpk= 409, nxpk= 10, iat=1971, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HD 28 PHE HN 4.50 (# 410:10 Unique 1.94, 3.72 A)
&rst
ixpk= 410, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 446, 454,
&end
#
# 121 PHE HA 28 PHE HN 5.50 (# 411:10 Unique 1.85, 2.31 A)
&rst
ixpk= 411, nxpk= 10, iat=1953, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HA 28 PHE HN 5.50 (# 412:10 Unique 2.14, 2.20 A)
&rst
ixpk= 412, nxpk= 10, iat= 416, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HA 28 PHE HN 5.50 (# 413:10 Unique 2.27, 2.77 A)
&rst
ixpk= 413, nxpk= 10, iat= 440, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 PHE HB+ 28 PHE HN 5.50 (# 414:10 Unique 1.94, 4.57 A)
&rst
ixpk= 414, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1955,1956,
&end
#
# 27 ARG HD+ 28 PHE HN 5.50 (# 415:10 Unique 1.94, 3.92 A)
&rst
ixpk= 415, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 424, 425,
&end
#
# 28 PHE HB+ 28 PHE HN 4.50 (# 416:10 Unique 2.07, 2.96 A)
&rst
ixpk= 416, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 442, 443,
&end
#
# 30 GLN HB- 28 PHE HN 5.50 (# 417:10 Unique 4.23, 5.74 A)
&rst
ixpk= 417, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 469, 470,
&end
#
# 27 ARG HG- 28 PHE HN 5.50 (# 418:10 Unique 1.96, 4.06 A)
&rst
ixpk= 418, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 421, 422,
&end
#
# 28 PHE HB- 28 PHE HN 5.50 (# 419:10 Unique 2.07, 2.96 A)
&rst
ixpk= 419, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 443,
&end
#
# 30 GLN HN 29 GLY HN 4.50 (# 421:10 Unique 2.01, 2.70 A)
&rst
ixpk= 421, nxpk= 10, iat= 465, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 HIS HD2 29 GLY HN 5.50 (# 422:10 Unique 2.59, 3.93 A)
&rst
ixpk= 422, nxpk= 10, iat= 495, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HD 29 GLY HN 5.50 (# 423:10 Unique 1.92, 4.37 A)
&rst
ixpk= 423, nxpk= 10, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 446, 454,
&end
#
# 30 GLN HA 29 GLY HN 5.50 (# 425:10 Unique 4.51, 5.05 A)
&rst
ixpk= 425, nxpk= 10, iat= 467, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLY HA+ 29 GLY HN 3.50 (# 426:10 Unique 2.30, 2.66 A)
&rst
ixpk= 426, nxpk= 10, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 460, 461,
&end
#
# 28 PHE HA 29 GLY HN 3.50 (# 427:10 Unique 2.14, 2.76 A)
&rst
ixpk= 427, nxpk= 10, iat= 440, 458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 GLY HA- 29 GLY HN 3.50 (# 428:10 Unique 2.30, 2.66 A)
&rst
ixpk= 428, nxpk= 10, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 460, 461,
&end
#
# 122 ASP HB+ 29 GLY HN 5.50 (# 429:10 Unique 5.02, 6.04 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1976,
&end
#
# 28 PHE HB+ 29 GLY HN 5.50 (# 430:10 Unique 1.87, 3.79 A)
&rst
ixpk= 430, nxpk= 10, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 443,
&end
#
# 28 PHE HB- 29 GLY HN 5.50 (# 431:10 Unique 1.87, 3.79 A)
&rst
ixpk= 431, nxpk= 10, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 443,
&end
#
# 122 ASP HB- 29 GLY HN 4.50 (# 432:10 Unique 5.02, 6.04 A)
&rst
ixpk= 432, nxpk= 10, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1975,1976,
&end
#
# 0 AMB 10-2:433 30 GLN HN 3.50 (# 433:10 Single Ambig)
&rst
ixpk= 433, nxpk= 10, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 482, 458,
&end
#
# 27 ARG HN 30 GLN HN 5.50 (# 434:10 Unique 4.86, 5.27 A)
&rst
ixpk= 434, nxpk= 10, iat= 414, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 HIS HD2 30 GLN HN 5.50 (# 435:10 Unique 2.74, 4.04 A)
&rst
ixpk= 435, nxpk= 10, iat= 495, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HD 30 GLN HN 5.50 (# 436:10 Unique 3.90, 5.86 A)
&rst
ixpk= 436, nxpk= 10, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 446, 454,
&end
#
# 32 SER HN 30 GLN HN 5.50 (# 437:10 Unique 3.60, 4.25 A)
&rst
ixpk= 437, nxpk= 10, iat= 499, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 HIS HA 30 GLN HN 5.50 (# 439:10 Unique 3.87, 4.46 A)
&rst
ixpk= 439, nxpk= 10, iat= 484, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN HA 30 GLN HN 3.50 (# 440:10 Unique 2.70, 2.87 A)
&rst
ixpk= 440, nxpk= 10, iat= 467, 465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 PHE HA 30 GLN HN 4.50 (# 441:10 Unique 3.23, 4.21 A)
&rst
ixpk= 441, nxpk= 10, iat= 440, 465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLY HA+ 30 GLN HN 3.50 (# 442:10 Unique 2.44, 3.18 A)
&rst
ixpk= 442, nxpk= 10, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 460, 461,
&end
#
# 29 GLY HA- 30 GLN HN 3.50 (# 443:10 Unique 2.44, 3.18 A)
&rst
ixpk= 443, nxpk= 10, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 460, 461,
&end
#
# 0 AMB 10-2:444 30 GLN HN 3.50 (# 444:10 Single Ambig)
&rst
ixpk= 444, nxpk= 10, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 472, 473, 472, 473,
&end
#
# 0 AMB 10-2:445 30 GLN HN 3.50 (# 445:10 Single Ambig)
&rst
ixpk= 445, nxpk= 10, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 418, 419, 469, 470,
&end
#
# 27 ARG HG- 30 GLN HN 5.50 (# 446:10 Unique 1.92, 4.45 A)
&rst
ixpk= 446, nxpk= 10, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 421, 422,
&end
#
# 26 ARG HG- 30 GLN HN 5.50 (# 447:10 Unique 4.28, 5.74 A)
&rst
ixpk= 447, nxpk= 10, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 30 GLN HN 31 HIS HN 5.50 (# 448:10 Unique 1.79, 2.22 A)
&rst
ixpk= 448, nxpk= 10, iat= 465, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 HIS HD2 31 HIS HN 5.50 (# 449:10 Unique 2.21, 2.83 A)
&rst
ixpk= 449, nxpk= 10, iat= 495, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 SER HN 31 HIS HN 5.50 (# 450:10 Unique 2.58, 2.71 A)
&rst
ixpk= 450, nxpk= 10, iat= 499, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 HIS HA 31 HIS HN 5.50 (# 452:10 Unique 2.27, 2.28 A)
&rst
ixpk= 452, nxpk= 10, iat= 484, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN HA 31 HIS HN 4.50 (# 453:10 Unique 3.37, 3.47 A)
&rst
ixpk= 453, nxpk= 10, iat= 467, 482, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:454 31 HIS HN 5.50 (# 454:10 Single Ambig)
&rst
ixpk= 454, nxpk= 10, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 460, 461, 503, 504, 503, 504,
&end
#
# 31 HIS HB+ 31 HIS HN 5.50 (# 455:10 Unique 3.22, 3.79 A)
&rst
ixpk= 455, nxpk= 10, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 486, 487,
&end
#
# 31 HIS HB- 31 HIS HN 5.50 (# 456:10 Unique 3.22, 3.79 A)
&rst
ixpk= 456, nxpk= 10, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 486, 487,
&end
#
# 0 AMB 10-2:458 31 HIS HN 4.50 (# 458:10 Single Ambig)
&rst
ixpk= 458, nxpk= 10, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 472, 473, 472, 473,
&end
#
# 27 ARG HB+ 31 HIS HN 5.50 (# 459:10 Unique 1.92, 3.97 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 418, 419,
&end
#
# 27 ARG HN 32 SER HN 5.50 (# 460:10 Unique 1.89, 3.01 A)
&rst
ixpk= 460, nxpk= 10, iat= 414, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 HIS HN 32 SER HN 3.50 (# 461:10 Unique 2.58, 2.71 A)
&rst
ixpk= 461, nxpk= 10, iat= 482, 499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 GLN HN 32 SER HN 5.50 (# 462:10 Unique 3.60, 4.25 A)
&rst
ixpk= 462, nxpk= 10, iat= 465, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 SER HA 32 SER HN 4.50 (# 463:10 Unique 2.84, 2.90 A)
&rst
ixpk= 463, nxpk= 10, iat= 501, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 HIS HA 32 SER HN 4.50 (# 464:10 Unique 2.47, 2.83 A)
&rst
ixpk= 464, nxpk= 10, iat= 484, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 GLN HA 32 SER HN 5.50 (# 465:10 Unique 4.11, 4.72 A)
&rst
ixpk= 465, nxpk= 10, iat= 467, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:466 32 SER HN 3.50 (# 466:10 Single Ambig)
&rst
ixpk= 466, nxpk= 10, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 503, 504, 503, 504,
&end
#
# 31 HIS HB+ 32 SER HN 5.50 (# 467:10 Unique 3.88, 4.29 A)
&rst
ixpk= 467, nxpk= 10, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 486, 487,
&end
#
# 0 AMB 10-2:468 32 SER HN 5.50 (# 468:10 Single Ambig)
&rst
ixpk= 468, nxpk= 10, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 486, 487,1955,1956,
&end
#
# 27 ARG HD- 32 SER HN 5.50 (# 469:10 Unique 4.07, 5.92 A)
&rst
ixpk= 469, nxpk= 10, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 424, 425,
&end
#
# 0 AMB 10-2:470 32 SER HN 3.50 (# 470:10 Single Ambig)
&rst
ixpk= 470, nxpk= 10, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 472, 473, 472, 473,
&end
#
# 27 ARG HB- 32 SER HN 4.50 (# 471:10 Unique 1.89, 3.43 A)
&rst
ixpk= 471, nxpk= 10, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 418, 419,
&end
#
# 0 AMB 10-2:472 32 SER HN 3.50 (# 472:10 Single Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 418, 419, 469, 470,
&end
#
# 24 TRP HE1 33 TRP HN 5.50 (# 475:10 Unique 4.59, 5.10 A)
&rst
ixpk= 475, nxpk= 10, iat= 366, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HD1 33 TRP HN 5.50 (# 477:10 Unique 1.93, 2.58 A)
&rst
ixpk= 477, nxpk= 10, iat= 518, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 SER HN 33 TRP HN 5.50 (# 478:10 Unique 4.14, 4.31 A)
&rst
ixpk= 478, nxpk= 10, iat= 499, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HA 33 TRP HN 5.50 (# 481:10 Unique 2.87, 2.89 A)
&rst
ixpk= 481, nxpk= 10, iat= 512, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 SER HA 33 TRP HN 3.50 (# 482:10 Unique 2.14, 2.25 A)
&rst
ixpk= 482, nxpk= 10, iat= 501, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:483 33 TRP HN 3.50 (# 483:10 Single Ambig)
&rst
ixpk= 483, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 503, 504, 503, 504,
&end
#
# 33 TRP HB+ 33 TRP HN 4.50 (# 485:10 Unique 2.11, 3.13 A)
&rst
ixpk= 485, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 514, 515,
&end
#
# 33 TRP HB- 33 TRP HN 4.50 (# 486:10 Unique 2.11, 3.13 A)
&rst
ixpk= 486, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 514, 515,
&end
#
# 27 ARG HB+ 34 GLN HN 5.50 (# 488:10 Unique 2.79, 4.65 A)
&rst
ixpk= 488, nxpk= 10, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 418, 419,
&end
#
# 34 GLN HB- 34 GLN HN 5.50 (# 489:10 Unique 2.35, 2.96 A)
&rst
ixpk= 489, nxpk= 10, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 538, 539,
&end
#
# 34 GLN HB+ 34 GLN HN 5.50 (# 490:10 Unique 2.35, 2.96 A)
&rst
ixpk= 490, nxpk= 10, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 538, 539,
&end
#
# 34 GLN HA 34 GLN HN 5.50 (# 491:10 Unique 2.92, 2.94 A)
&rst
ixpk= 491, nxpk= 10, iat= 536, 534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HA 34 GLN HN 5.50 (# 492:10 Unique 4.86, 5.33 A)
&rst
ixpk= 492, nxpk= 10, iat= 416, 534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 GLN HA 35 PHE HN 4.50 (# 494:10 Unique 2.43, 2.47 A)
&rst
ixpk= 494, nxpk= 10, iat= 536, 551, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLN HB- 35 PHE HN 5.50 (# 496:10 Unique 2.27, 3.26 A)
&rst
ixpk= 496, nxpk= 10, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 538, 539,
&end
#
# 35 PHE HB+ 35 PHE HN 5.50 (# 497:10 Unique 2.08, 2.91 A)
&rst
ixpk= 497, nxpk= 10, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 555, 556,
&end
#
# 35 PHE HB- 35 PHE HN 5.50 (# 498:10 Unique 2.08, 2.91 A)
&rst
ixpk= 498, nxpk= 10, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 555, 556,
&end
#
# 38 GLY HN 37 GLN HN 5.50 (# 501:10 Unique 3.69, 4.27 A)
&rst
ixpk= 501, nxpk= 10, iat= 602, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HH2 37 GLN HN 5.50 (# 503:10 Unique 4.26, 5.23 A)
&rst
ixpk= 503, nxpk= 10, iat=1631, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLN HA 37 GLN HN 5.50 (# 505:10 Unique 2.27, 2.30 A)
&rst
ixpk= 505, nxpk= 10, iat= 587, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PRO HA 37 GLN HN 3.50 (# 506:10 Unique 3.37, 3.51 A)
&rst
ixpk= 506, nxpk= 10, iat= 581, 585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 GLY HA+ 37 GLN HN 5.50 (# 507:10 Unique 2.43, 3.84 A)
&rst
ixpk= 507, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 175,
&end
#
# 36 PRO HB+ 37 GLN HN 5.50 (# 508:10 Unique 1.89, 2.92 A)
&rst
ixpk= 508, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 578, 579,
&end
#
# 37 GLN HB- 37 GLN HN 4.50 (# 509:10 Unique 2.39, 3.49 A)
&rst
ixpk= 509, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 589, 590,
&end
#
# 37 GLN HB+ 37 GLN HN 4.50 (# 510:10 Unique 2.39, 3.49 A)
&rst
ixpk= 510, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 589, 590,
&end
#
# 0 AMB 10-2:512 37 GLN HN 5.50 (# 512:10 Single Ambig)
&rst
ixpk= 512, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 189, 190, 814, 815, 816,
&end
#
# 0 AMB 10-2:513 37 GLN HN 5.50 (# 513:10 Single Ambig)
&rst
ixpk= 513, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 189, 190, 162, 163, 164, 166, 167, 168, 192, 193,
194,
&end
#
# 0 AMB 10-2:514 37 GLN HN 5.50 (# 514:10 Single Ambig)
&rst
ixpk= 514, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1688,1689,1690,1692,1693,1694, 895, 896, 897, 899,
900, 901, 895, 896, 897, 899, 900, 901,1562,1563,
&end
#
# 11 VAL HN 38 GLY HN 5.50 (# 515:10 Unique 2.05, 2.44 A)
&rst
ixpk= 515, nxpk= 10, iat= 156, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HN 38 GLY HN 5.50 (# 516:10 Unique 1.88, 2.41 A)
&rst
ixpk= 516, nxpk= 10, iat= 609, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2+ 38 GLY HN 5.50 (# 520:10 Unique 3.73, 5.40 A)
&rst
ixpk= 520, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 10 ASN HA 38 GLY HN 5.50 (# 522:10 Unique 3.43, 4.07 A)
&rst
ixpk= 522, nxpk= 10, iat= 144, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLN HA 38 GLY HN 4.50 (# 523:10 Unique 2.16, 2.27 A)
&rst
ixpk= 523, nxpk= 10, iat= 587, 602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 GLY HA+ 38 GLY HN 4.50 (# 524:10 Unique 2.36, 2.75 A)
&rst
ixpk= 524, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 604, 605,
&end
#
# 0 AMB 10-2:525 38 GLY HN 5.50 (# 525:10 Single Ambig)
&rst
ixpk= 525, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 812,
&end
#
# 38 GLY HA- 38 GLY HN 4.50 (# 526:10 Unique 2.36, 2.75 A)
&rst
ixpk= 526, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 604, 605,
&end
#
# 10 ASN HB+ 38 GLY HN 5.50 (# 527:10 Unique 1.91, 2.95 A)
&rst
ixpk= 527, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 10 ASN HB- 38 GLY HN 5.50 (# 528:10 Unique 1.91, 2.95 A)
&rst
ixpk= 528, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 0 AMB 10-2:529 38 GLY HN 5.50 (# 529:10 Single Ambig)
&rst
ixpk= 529, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 881, 882,1545,1546,
&end
#
# 37 GLN HB- 38 GLY HN 4.50 (# 530:10 Unique 2.59, 3.77 A)
&rst
ixpk= 530, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 589, 590,
&end
#
# 37 GLN HB+ 38 GLY HN 4.50 (# 531:10 Unique 2.59, 3.77 A)
&rst
ixpk= 531, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 589, 590,
&end
#
# 0 AMB 10-2:532 38 GLY HN 5.50 (# 532:10 Single Ambig)
&rst
ixpk= 532, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 160, 135, 136,
&end
#
# 0 AMB 10-2:533 38 GLY HN 5.50 (# 533:10 Single Ambig)
&rst
ixpk= 533, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1943,1944,1542,1543, 742, 743, 744, 793, 794, 755,
756,
&end
#
# 0 AMB 10-2:534 38 GLY HN 5.50 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 814, 815, 816, 189, 190,
&end
#
# 11 VAL MGY 38 GLY HN 5.50 (# 535:10 Unique 2.87, 5.40 A)
&rst
ixpk= 535, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGX 38 GLY HN 4.50 (# 537:10 Unique 2.87, 5.40 A)
&rst
ixpk= 537, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL HN 39 GLY HN 5.50 (# 539:10 Unique 1.91, 2.42 A)
&rst
ixpk= 539, nxpk= 10, iat= 156, 609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HN 39 GLY HN 5.50 (# 540:10 Unique 1.88, 2.41 A)
&rst
ixpk= 540, nxpk= 10, iat= 602, 609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HN 39 GLY HN 4.50 (# 541:10 Unique 2.53, 3.41 A)
&rst
ixpk= 541, nxpk= 10, iat= 616, 609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HD2- 39 GLY HN 5.50 (# 542:10 Unique 3.94, 5.83 A)
&rst
ixpk= 542, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 10 ASN HA 39 GLY HN 5.50 (# 543:10 Unique 1.94, 2.59 A)
&rst
ixpk= 543, nxpk= 10, iat= 144, 609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HA+ 39 GLY HN 3.50 (# 544:10 Unique 2.29, 3.06 A)
&rst
ixpk= 544, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 604, 605,
&end
#
# 39 GLY HA+ 39 GLY HN 3.50 (# 545:10 Unique 2.30, 2.70 A)
&rst
ixpk= 545, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 611, 612,
&end
#
# 38 GLY HA- 39 GLY HN 2.80 (# 546:10 Unique 2.29, 3.06 A)
&rst
ixpk= 546, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 604, 605,
&end
#
# 10 ASN HB+ 39 GLY HN 5.50 (# 547:10 Unique 1.94, 3.17 A)
&rst
ixpk= 547, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 10 ASN HB- 39 GLY HN 5.50 (# 548:10 Unique 1.94, 3.17 A)
&rst
ixpk= 548, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 0 AMB 10-2:549 39 GLY HN 5.50 (# 549:10 Single Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 589, 590, 863, 864, 677, 678,
&end
#
# 0 AMB 10-2:550 39 GLY HN 5.50 (# 550:10 Single Ambig)
&rst
ixpk= 550, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 790, 791, 589, 590,
&end
#
# 0 AMB 10-2:551 39 GLY HN 5.50 (# 551:10 Single Ambig)
&rst
ixpk= 551, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 742, 743, 744, 793, 794, 620,
&end
#
# 53 ALA MB 39 GLY HN 5.50 (# 552:10 Unique 3.80, 5.21 A)
&rst
ixpk= 552, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 814, 815, 816,
&end
#
# 11 VAL MGY 39 GLY HN 5.50 (# 553:10 Unique 2.38, 4.43 A)
&rst
ixpk= 553, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 40 ILE HG1+ 39 GLY HN 5.50 (# 554:10 Unique 3.43, 4.80 A)
&rst
ixpk= 554, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 11 VAL MGX 39 GLY HN 5.50 (# 555:10 Unique 2.38, 4.43 A)
&rst
ixpk= 555, nxpk= 10, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 10 ASN HN 40 ILE HN 5.50 (# 556:10 Unique 3.67, 3.99 A)
&rst
ixpk= 556, nxpk= 10, iat= 142, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HN 40 ILE HN 5.50 (# 557:10 Unique 4.10, 4.39 A)
&rst
ixpk= 557, nxpk= 10, iat= 156, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HN 40 ILE HN 4.50 (# 558:10 Unique 2.53, 3.41 A)
&rst
ixpk= 558, nxpk= 10, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HD2- 40 ILE HN 5.50 (# 559:10 Unique 4.83, 6.01 A)
&rst
ixpk= 559, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 10 ASN HA 40 ILE HN 4.50 (# 560:10 Unique 1.86, 1.95 A)
&rst
ixpk= 560, nxpk= 10, iat= 144, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 GLY HA+ 40 ILE HN 3.50 (# 561:10 Unique 2.14, 2.77 A)
&rst
ixpk= 561, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 611, 612,
&end
#
# 40 ILE HA 40 ILE HN 4.50 (# 562:10 Unique 2.76, 2.83 A)
&rst
ixpk= 562, nxpk= 10, iat= 618, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:563 40 ILE HN 5.50 (# 563:10 Single Ambig)
&rst
ixpk= 563, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 129, 130, 129, 130, 698,
&end
#
# 39 GLY HA- 40 ILE HN 3.50 (# 564:10 Unique 2.14, 2.77 A)
&rst
ixpk= 564, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 611, 612,
&end
#
# 10 ASN HB+ 40 ILE HN 5.50 (# 565:10 Unique 3.14, 4.33 A)
&rst
ixpk= 565, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 10 ASN HB- 40 ILE HN 5.50 (# 566:10 Unique 3.14, 4.33 A)
&rst
ixpk= 566, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 146, 147,
&end
#
# 9 PRO HG+ 40 ILE HN 5.50 (# 567:10 Unique 3.89, 4.80 A)
&rst
ixpk= 567, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 132, 133,
&end
#
# 40 ILE HB 40 ILE HN 3.50 (# 571:10 Unique 2.32, 2.50 A)
&rst
ixpk= 571, nxpk= 10, iat= 620, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:572 40 ILE HN 3.50 (# 572:10 Single Ambig)
&rst
ixpk= 572, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 162, 163, 164, 166, 167, 168, 622, 623, 624,
&end
#
# 40 ILE HG1+ 40 ILE HN 5.50 (# 573:10 Unique 1.94, 2.92 A)
&rst
ixpk= 573, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 11 VAL MGX 40 ILE HN 5.50 (# 574:10 Unique 3.73, 5.32 A)
&rst
ixpk= 574, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 52 ARG HE 41 ASN HN 5.50 (# 575:10 Unique 4.44, 5.20 A)
&rst
ixpk= 575, nxpk= 10, iat= 799, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ALA HN 41 ASN HN 5.50 (# 576:10 Unique 4.68, 5.29 A)
&rst
ixpk= 576, nxpk= 10, iat= 738, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLU HN 41 ASN HN 5.50 (# 577:10 Unique 3.90, 4.25 A)
&rst
ixpk= 577, nxpk= 10, iat= 670, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ASN HD2+ 41 ASN HN 5.50 (# 578:10 Unique 2.67, 4.53 A)
&rst
ixpk= 578, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 644, 645,
&end
#
# 40 ILE HN 41 ASN HN 5.50 (# 579:10 Unique 4.45, 4.59 A)
&rst
ixpk= 579, nxpk= 10, iat= 616, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ASN HD2- 41 ASN HN 5.50 (# 580:10 Unique 2.67, 4.53 A)
&rst
ixpk= 580, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 644, 645,
&end
#
# 41 ASN HA 41 ASN HN 5.50 (# 582:10 Unique 2.76, 2.88 A)
&rst
ixpk= 582, nxpk= 10, iat= 637, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HA 41 ASN HN 4.50 (# 583:10 Unique 2.14, 2.21 A)
&rst
ixpk= 583, nxpk= 10, iat= 618, 635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 PRO HD+ 41 ASN HN 5.50 (# 584:10 Unique 4.70, 4.91 A)
&rst
ixpk= 584, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 650, 651,
&end
#
# 42 PRO HD- 41 ASN HN 5.50 (# 585:10 Unique 4.70, 4.91 A)
&rst
ixpk= 585, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 650, 651,
&end
#
# 41 ASN HB+ 41 ASN HN 5.50 (# 586:10 Unique 2.08, 2.79 A)
&rst
ixpk= 586, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 639, 640,
&end
#
# 41 ASN HB- 41 ASN HN 4.50 (# 587:10 Unique 2.08, 2.79 A)
&rst
ixpk= 587, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 639, 640,
&end
#
# 0 AMB 10-2:588 41 ASN HN 4.50 (# 588:10 Single Ambig)
&rst
ixpk= 588, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 674, 675, 674, 675, 677, 678,
&end
#
# 49 ALA MB 41 ASN HN 3.50 (# 589:10 Unique 2.12, 3.29 A)
&rst
ixpk= 589, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 742, 743, 744,
&end
#
# 40 ILE QG2 41 ASN HN 3.50 (# 590:10 Unique 1.95, 3.13 A)
&rst
ixpk= 590, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 622, 623, 624,
&end
#
# 40 ILE HG1+ 41 ASN HN 5.50 (# 591:10 Unique 3.95, 4.59 A)
&rst
ixpk= 591, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 44 GLU HN 43 GLY HN 3.50 (# 592:10 Unique 1.89, 2.37 A)
&rst
ixpk= 592, nxpk= 10, iat= 670, 663, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 ASN HA 43 GLY HN 5.50 (# 593:10 Unique 4.89, 5.13 A)
&rst
ixpk= 593, nxpk= 10, iat= 637, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:595 43 GLY HN 5.50 (# 595:10 Single Ambig)
&rst
ixpk= 595, nxpk= 10, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 687, 672,
&end
#
# 42 PRO HA 43 GLY HN 2.80 (# 596:10 Unique 2.21, 2.37 A)
&rst
ixpk= 596, nxpk= 10, iat= 659, 663, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 GLY HA+ 43 GLY HN 2.80 (# 597:10 Unique 2.35, 2.70 A)
&rst
ixpk= 597, nxpk= 10, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 665, 666,
&end
#
# 43 GLY HA- 43 GLY HN 2.80 (# 598:10 Unique 2.35, 2.70 A)
&rst
ixpk= 598, nxpk= 10, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 665, 666,
&end
#
# 42 PRO HD+ 43 GLY HN 5.50 (# 599:10 Unique 4.81, 5.11 A)
&rst
ixpk= 599, nxpk= 10, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 650, 651,
&end
#
# 42 PRO HB+ 43 GLY HN 3.50 (# 600:10 Unique 3.99, 4.35 A)
&rst
ixpk= 600, nxpk= 10, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 656, 657,
&end
#
# 0 AMB 10-2:601 43 GLY HN 4.50 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 677, 678, 674, 675, 674, 675, 653, 654,
&end
#
# 0 AMB 10-2:602 43 GLY HN 4.50 (# 602:10 Single Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 15, 16, 17, 653, 654,
&end
#
# 42 PRO HB- 43 GLY HN 4.50 (# 603:10 Unique 3.99, 4.35 A)
&rst
ixpk= 603, nxpk= 10, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 656, 657,
&end
#
# 40 ILE QG2 43 GLY HN 5.50 (# 604:10 Unique 3.67, 4.74 A)
&rst
ixpk= 604, nxpk= 10, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 622, 623, 624,
&end
#
# 41 ASN HN 44 GLU HN 5.50 (# 605:10 Unique 3.90, 4.25 A)
&rst
ixpk= 605, nxpk= 10, iat= 635, 670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 GLY HN 44 GLU HN 3.50 (# 606:10 Unique 1.89, 2.37 A)
&rst
ixpk= 606, nxpk= 10, iat= 663, 670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 SER HN 44 GLU HN 4.50 (# 607:10 Unique 1.89, 3.86 A)
&rst
ixpk= 607, nxpk= 10, iat= 685, 670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:608 44 GLU HN 5.50 (# 608:10 Single Ambig)
&rst
ixpk= 608, nxpk= 10, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 644, 645, 733, 734,
&end
#
# 41 ASN HA 44 GLU HN 5.50 (# 610:10 Unique 4.57, 4.81 A)
&rst
ixpk= 610, nxpk= 10, iat= 637, 670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLU HA 44 GLU HN 3.50 (# 611:10 Unique 2.79, 2.86 A)
&rst
ixpk= 611, nxpk= 10, iat= 672, 670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 PRO HA 44 GLU HN 3.50 (# 612:10 Unique 3.89, 4.09 A)
&rst
ixpk= 612, nxpk= 10, iat= 659, 670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 GLY HA+ 44 GLU HN 3.50 (# 613:10 Unique 2.90, 3.24 A)
&rst
ixpk= 613, nxpk= 10, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 665, 666,
&end
#
# 42 PRO HD+ 44 GLU HN 5.50 (# 615:10 Unique 4.28, 5.07 A)
&rst
ixpk= 615, nxpk= 10, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 650, 651,
&end
#
# 43 GLY HA- 44 GLU HN 3.50 (# 616:10 Unique 2.90, 3.24 A)
&rst
ixpk= 616, nxpk= 10, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 665, 666,
&end
#
# 41 ASN HB+ 44 GLU HN 5.50 (# 617:10 Unique 2.35, 3.46 A)
&rst
ixpk= 617, nxpk= 10, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 639, 640,
&end
#
# 44 GLU HG+ 44 GLU HN 4.50 (# 618:10 Unique 2.44, 4.45 A)
&rst
ixpk= 618, nxpk= 10, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 677, 678,
&end
#
# 0 AMB 10-2:619 44 GLU HN 2.80 (# 619:10 Single Ambig)
&rst
ixpk= 619, nxpk= 10, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 674, 675, 674, 675, 677, 678,
&end
#
# 0 AMB 10-2:620 44 GLU HN 5.50 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 656, 657, 135, 136,
&end
#
# 0 AMB 10-2:621 44 GLU HN 5.50 (# 621:10 Single Ambig)
&rst
ixpk= 621, nxpk= 10, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 742, 743, 744, 793, 794,
&end
#
# 40 ILE QG2 44 GLU HN 4.50 (# 622:10 Unique 3.79, 4.70 A)
&rst
ixpk= 622, nxpk= 10, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 622, 623, 624,
&end
#
# 46 ALA HN 45 SER HN 5.50 (# 623:10 Unique 4.33, 4.55 A)
&rst
ixpk= 623, nxpk= 10, iat= 696, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ALA HN 45 SER HN 5.50 (# 624:10 Unique 3.32, 4.55 A)
&rst
ixpk= 624, nxpk= 10, iat= 738, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HN 45 SER HN 5.50 (# 625:10 Unique 4.29, 4.81 A)
&rst
ixpk= 625, nxpk= 10, iat= 721, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLU HN 45 SER HN 5.50 (# 626:10 Unique 1.89, 3.86 A)
&rst
ixpk= 626, nxpk= 10, iat= 670, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HE2+ 45 SER HN 5.50 (# 627:10 Unique 1.87, 3.13 A)
&rst
ixpk= 627, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 48 GLN HE2- 45 SER HN 5.50 (# 628:10 Unique 1.87, 3.13 A)
&rst
ixpk= 628, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 45 SER HA 45 SER HN 2.80 (# 629:10 Unique 2.29, 2.68 A)
&rst
ixpk= 629, nxpk= 10, iat= 687, 685, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 SER HB+ 45 SER HN 5.50 (# 630:10 Unique 2.15, 2.96 A)
&rst
ixpk= 630, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 689, 690,
&end
#
# 45 SER HB- 45 SER HN 4.50 (# 631:10 Unique 2.15, 2.96 A)
&rst
ixpk= 631, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 689, 690,
&end
#
# 0 AMB 10-2:632 45 SER HN 3.50 (# 632:10 Single Ambig)
&rst
ixpk= 632, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 674, 675, 674, 675,
&end
#
# 44 GLU HG+ 45 SER HN 3.50 (# 633:10 Unique 2.24, 3.49 A)
&rst
ixpk= 633, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 677, 678,
&end
#
# 49 ALA MB 45 SER HN 5.50 (# 635:10 Unique 2.61, 5.32 A)
&rst
ixpk= 635, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 742, 743, 744,
&end
#
# 40 ILE QG2 45 SER HN 5.50 (# 636:10 Unique 2.65, 5.26 A)
&rst
ixpk= 636, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 622, 623, 624,
&end
#
# 47 GLU HN 46 ALA HN 4.50 (# 637:10 Unique 2.24, 2.45 A)
&rst
ixpk= 637, nxpk= 10, iat= 706, 696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 ALA HN 46 ALA HN 5.50 (# 639:10 Unique 4.43, 4.75 A)
&rst
ixpk= 639, nxpk= 10, iat= 738, 696, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HN 46 ALA HN 5.50 (# 640:10 Unique 3.70, 4.49 A)
&rst
ixpk= 640, nxpk= 10, iat= 721, 696, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:641 46 ALA HN 5.50 (# 641:10 Single Ambig)
&rst
ixpk= 641, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1164, 733, 734,
&end
#
# 74 TRP HH2 46 ALA HN 5.50 (# 642:10 Unique 4.00, 4.54 A)
&rst
ixpk= 642, nxpk= 10, iat=1166, 696, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HE2- 46 ALA HN 5.50 (# 643:10 Unique 4.07, 4.89 A)
&rst
ixpk= 643, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 45 SER HA 46 ALA HN 2.80 (# 644:10 Unique 2.37, 2.60 A)
&rst
ixpk= 644, nxpk= 10, iat= 687, 696, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 SER HB+ 46 ALA HN 4.50 (# 645:10 Unique 2.12, 3.22 A)
&rst
ixpk= 645, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 689, 690,
&end
#
# 46 ALA HA 46 ALA HN 3.50 (# 646:10 Unique 2.80, 2.87 A)
&rst
ixpk= 646, nxpk= 10, iat= 698, 696, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 GLU HA 46 ALA HN 5.50 (# 647:10 Unique 4.90, 5.07 A)
&rst
ixpk= 647, nxpk= 10, iat= 708, 696, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLU HG+ 46 ALA HN 5.50 (# 649:10 Unique 5.28, 6.13 A)
&rst
ixpk= 649, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 677, 678,
&end
#
# 0 AMB 10-2:650 46 ALA HN 5.50 (# 650:10 Single Ambig)
&rst
ixpk= 650, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 710, 711, 677, 678, 713, 714, 674, 675,
&end
#
# 0 AMB 10-2:651 46 ALA HN 5.50 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1607,1608, 713, 714,
&end
#
# 47 GLU HB- 46 ALA HN 5.50 (# 652:10 Unique 4.22, 4.76 A)
&rst
ixpk= 652, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 710, 711,
&end
#
# 46 ALA MB 46 ALA HN 2.80 (# 653:10 Unique 2.15, 2.93 A)
&rst
ixpk= 653, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 700, 701, 702,
&end
#
# 0 AMB 10-2:654 46 ALA HN 5.50 (# 654:10 Single Ambig)
&rst
ixpk= 654, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 162, 163, 164, 166, 167, 168,1601,1602,
&end
#
# 0 AMB 10-2:655 46 ALA HN 5.50 (# 655:10 Single Ambig)
&rst
ixpk= 655, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605, 626, 627,
&end
#
# 0 AMB 10-2:656 46 ALA HN 4.50 (# 656:10 Single Ambig)
&rst
ixpk= 656, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 622, 623, 624, 162, 163, 164, 166, 167, 168,
&end
#
# 46 ALA HN 47 GLU HN 4.50 (# 658:10 Unique 2.24, 2.45 A)
&rst
ixpk= 658, nxpk= 10, iat= 696, 706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 ALA HN 47 GLU HN 5.50 (# 659:10 Unique 3.35, 3.89 A)
&rst
ixpk= 659, nxpk= 10, iat= 738, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HN 47 GLU HN 4.50 (# 661:10 Unique 2.44, 2.80 A)
&rst
ixpk= 661, nxpk= 10, iat= 721, 706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 GLN HE2+ 47 GLU HN 5.50 (# 662:10 Unique 3.46, 4.44 A)
&rst
ixpk= 662, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 0 AMB 10-2:663 47 GLU HN 5.50 (# 663:10 Single Ambig)
&rst
ixpk= 663, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1166, 773, 782,
&end
#
# 48 GLN HE2- 47 GLU HN 4.50 (# 664:10 Unique 3.46, 4.44 A)
&rst
ixpk= 664, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 733, 734,
&end
#
# 51 TYR HE 47 GLU HN 5.50 (# 665:10 Unique 5.41, 7.64 A)
&rst
ixpk= 665, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 775, 780,
&end
#
# 45 SER HA 47 GLU HN 4.50 (# 666:10 Unique 4.10, 4.45 A)
&rst
ixpk= 666, nxpk= 10, iat= 687, 706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 SER HB+ 47 GLU HN 5.50 (# 667:10 Unique 2.18, 3.43 A)
&rst
ixpk= 667, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 689, 690,
&end
#
# 45 SER HB- 47 GLU HN 4.50 (# 668:10 Unique 2.18, 3.43 A)
&rst
ixpk= 668, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 689, 690,
&end
#
# 47 GLU HA 47 GLU HN 4.50 (# 669:10 Unique 2.75, 2.83 A)
&rst
ixpk= 669, nxpk= 10, iat= 708, 706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:670 47 GLU HN 5.50 (# 670:10 Single Ambig)
&rst
ixpk= 670, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 728, 729, 728, 729,
&end
#
# 0 AMB 10-2:671 47 GLU HN 5.50 (# 671:10 Single Ambig)
&rst
ixpk= 671, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 725, 726, 677, 678,
&end
#
# 0 AMB 10-2:672 47 GLU HN 2.80 (# 672:10 Single Ambig)
&rst
ixpk= 672, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 710, 711, 713, 714,
&end
#
# 47 GLU HG- 47 GLU HN 3.50 (# 673:10 Unique 3.05, 4.31 A)
&rst
ixpk= 673, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 713, 714,
&end
#
# 47 GLU HB- 47 GLU HN 3.50 (# 674:10 Unique 2.08, 2.60 A)
&rst
ixpk= 674, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 710, 711,
&end
#
# 46 ALA MB 47 GLU HN 3.50 (# 675:10 Unique 2.42, 3.60 A)
&rst
ixpk= 675, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 700, 701, 702,
&end
#
# 50 MET HB- 47 GLU HN 5.50 (# 676:10 Unique 4.42, 5.20 A)
&rst
ixpk= 676, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 752, 753,
&end
#
# 0 AMB 10-2:677 47 GLU HN 5.50 (# 677:10 Single Ambig)
&rst
ixpk= 677, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 162, 163, 164, 166, 167, 168, 622, 623, 624,
&end
#
# 0 AMB 10-2:678 47 GLU HN 5.50 (# 678:10 Single Ambig)
&rst
ixpk= 678, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605, 626, 627,
&end
#
# 0 AMB 10-2:679 47 GLU HN 5.50 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 759, 760, 761,1601,1602,
&end
#
# 46 ALA HN 48 GLN HN 5.50 (# 680:10 Unique 3.70, 4.49 A)
&rst
ixpk= 680, nxpk= 10, iat= 696, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 GLU HN 48 GLN HN 4.50 (# 681:10 Unique 2.44, 2.80 A)
&rst
ixpk= 681, nxpk= 10, iat= 706, 721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 ALA HN 48 GLN HN 4.50 (# 682:10 Unique 2.30, 2.70 A)
&rst
ixpk= 682, nxpk= 10, iat= 738, 721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 GLN HE2- 48 GLN HN 5.50 (# 684:10 Unique 2.28, 3.13 A)
&rst
ixpk= 684, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 45 SER HA 48 GLN HN 5.50 (# 685:10 Unique 4.94, 5.33 A)
&rst
ixpk= 685, nxpk= 10, iat= 687, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 SER HB+ 48 GLN HN 5.50 (# 686:10 Unique 2.61, 3.53 A)
&rst
ixpk= 686, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 689, 690,
&end
#
# 0 AMB 10-2:687 48 GLN HN 3.50 (# 687:10 Single Ambig)
&rst
ixpk= 687, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 689, 690, 723,
&end
#
# 47 GLU HA 48 GLN HN 5.50 (# 688:10 Unique 3.43, 3.55 A)
&rst
ixpk= 688, nxpk= 10, iat= 708, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:689 48 GLN HN 3.50 (# 689:10 Single Ambig)
&rst
ixpk= 689, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 728, 729, 728, 729,
&end
#
# 48 GLN HB+ 48 GLN HN 3.50 (# 690:10 Unique 2.30, 3.07 A)
&rst
ixpk= 690, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 725, 726,
&end
#
# 47 GLU HB+ 48 GLN HN 4.50 (# 691:10 Unique 1.99, 2.98 A)
&rst
ixpk= 691, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 710, 711,
&end
#
# 47 GLU HB- 48 GLN HN 4.50 (# 692:10 Unique 1.99, 2.98 A)
&rst
ixpk= 692, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 710, 711,
&end
#
# 0 AMB 10-2:693 48 GLN HN 4.50 (# 693:10 Single Ambig)
&rst
ixpk= 693, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 742, 743, 744, 700, 701, 702, 755, 756,
&end
#
# 0 AMB 10-2:695 48 GLN HN 5.50 (# 695:10 Single Ambig)
&rst
ixpk= 695, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 162, 163, 164, 166, 167, 168, 622, 623, 624,
&end
#
# 46 ALA HN 49 ALA HN 5.50 (# 697:10 Unique 4.43, 4.75 A)
&rst
ixpk= 697, nxpk= 10, iat= 696, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:698 49 ALA HN 5.50 (# 698:10 Single Ambig)
&rst
ixpk= 698, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 685, 706,
&end
#
# 0 AMB 10-2:699 49 ALA HN 5.50 (# 699:10 Single Ambig)
&rst
ixpk= 699, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 765, 786,
&end
#
# 48 GLN HN 49 ALA HN 4.50 (# 701:10 Unique 2.30, 2.70 A)
&rst
ixpk= 701, nxpk= 10, iat= 721, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 GLN HE2- 49 ALA HN 5.50 (# 703:10 Unique 3.35, 4.43 A)
&rst
ixpk= 703, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 90 PRO HA 91 VAL HN 3.50 (# 704:10 Unique 2.15, 2.32 A)
&rst
ixpk= 704, nxpk= 10, iat=1481,1485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 LYS HA 91 VAL HN 3.50 (# 705:10 Unique 2.21, 2.78 A)
&rst
ixpk= 705, nxpk= 10, iat=1451,1485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 TRP HA 91 VAL HN 5.50 (# 706:10 Unique 4.78, 5.06 A)
&rst
ixpk= 706, nxpk= 10, iat=1401,1485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:707 49 ALA HN 3.50 (# 707:10 Single Ambig)
&rst
ixpk= 707, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 740, 723, 689, 690,
&end
#
# 91 VAL HA 91 VAL HN 3.50 (# 708:10 Unique 2.64, 2.77 A)
&rst
ixpk= 708, nxpk= 10, iat=1487,1485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:709 91 VAL HN 4.50 (# 709:10 Single Ambig)
&rst
ixpk= 709, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1472,1473,1472,1473,
&end
#
# 47 GLU HA 49 ALA HN 5.50 (# 710:10 Unique 3.94, 4.45 A)
&rst
ixpk= 710, nxpk= 10, iat= 708, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:711 91 VAL HN 5.50 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1462,1463,1462,1463,1403,1404,
&end
#
# 92 CYS HB+ 91 VAL HN 5.50 (# 712:10 Unique 3.68, 6.88 A)
&rst
ixpk= 712, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1505,1506,
&end
#
# 0 AMB 10-2:713 49 ALA HN 4.50 (# 713:10 Single Ambig)
&rst
ixpk= 713, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 728, 729, 728, 729,
&end
#
# 0 AMB 10-2:714 0 AMB 10-1:714 2.80 (# 714:10 Double Ambig)
&rst
ixpk= 714, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 725, 726,1478,1479,
igr2= 738,1485,
&end
#
# 0 AMB 10-2:715 49 ALA HN 3.50 (# 715:10 Single Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 677, 678, 674, 675,
&end
#
# 0 AMB 10-2:716 91 VAL HN 4.50 (# 716:10 Single Ambig)
&rst
ixpk= 716, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1478,1479,1475,1476,
&end
#
# 0 AMB 10-2:717 91 VAL HN 3.50 (# 717:10 Single Ambig)
&rst
ixpk= 717, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1489,1453,1454,
&end
#
# 49 ALA MB 49 ALA HN 2.80 (# 718:10 Unique 2.21, 2.91 A)
&rst
ixpk= 718, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 742, 743, 744,
&end
#
# 50 MET HB- 49 ALA HN 5.50 (# 719:10 Unique 4.24, 4.78 A)
&rst
ixpk= 719, nxpk= 10, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 752, 753,
&end
#
# 91 VAL MGY 91 VAL HN 3.50 (# 720:10 Unique 1.96, 3.58 A)
&rst
ixpk= 720, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 0 AMB 10-2:721 0 AMB 10-1:721 5.50 (# 721:10 Double Ambig)
&rst
ixpk= 721, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 626, 627, 34, 35, 36,1365,1366,1367,1369,1370,
1371,
igr2= 738,1485,
&end
#
# 0 AMB 10-2:723 0 AMB 10-1:723 5.50 (# 723:10 Double Ambig)
&rst
ixpk= 723, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 162, 163, 164, 166, 167, 168,1525,1526,1527,1522,
1523,
igr2= 738,1485,
&end
#
# 91 VAL MGX 91 VAL HN 3.50 (# 724:10 Unique 1.96, 3.58 A)
&rst
ixpk= 724, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 0 AMB 10-2:727 50 MET HN 5.50 (# 727:10 Single Ambig)
&rst
ixpk= 727, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 706, 685,
&end
#
# 51 TYR HN 50 MET HN 4.50 (# 728:10 Unique 2.43, 2.68 A)
&rst
ixpk= 728, nxpk= 10, iat= 765, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 GLN HN 50 MET HN 5.50 (# 729:10 Unique 3.35, 3.92 A)
&rst
ixpk= 729, nxpk= 10, iat= 721, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HD 50 MET HN 4.50 (# 730:10 Unique 2.97, 5.22 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 773, 782,
&end
#
# 51 TYR HE 50 MET HN 5.50 (# 732:10 Unique 4.03, 5.98 A)
&rst
ixpk= 732, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 775, 780,
&end
#
# 0 AMB 10-2:733 50 MET HN 4.50 (# 733:10 Single Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 740, 723,
&end
#
# 50 MET HA 50 MET HN 4.50 (# 734:10 Unique 2.77, 2.80 A)
&rst
ixpk= 734, nxpk= 10, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 GLU HA 50 MET HN 5.50 (# 735:10 Unique 3.23, 3.52 A)
&rst
ixpk= 735, nxpk= 10, iat= 708, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:736 50 MET HN 5.50 (# 736:10 Single Ambig)
&rst
ixpk= 736, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 769, 770,1644,1645,1644,1645,
&end
#
# 0 AMB 10-2:737 50 MET HN 5.50 (# 737:10 Single Ambig)
&rst
ixpk= 737, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 713, 714, 677, 678, 710, 711, 674, 675,
&end
#
# 47 GLU HG- 50 MET HN 5.50 (# 738:10 Unique 4.76, 5.41 A)
&rst
ixpk= 738, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 713, 714,
&end
#
# 0 AMB 10-2:739 50 MET HN 5.50 (# 739:10 Single Ambig)
&rst
ixpk= 739, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 160, 710, 711,
&end
#
# 50 MET HB+ 50 MET HN 3.50 (# 740:10 Unique 2.09, 2.55 A)
&rst
ixpk= 740, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 752, 753,
&end
#
# 0 AMB 10-2:741 50 MET HN 2.80 (# 741:10 Single Ambig)
&rst
ixpk= 741, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 742, 743, 744, 755, 756,
&end
#
# 50 MET HB- 50 MET HN 4.50 (# 742:10 Unique 2.09, 2.55 A)
&rst
ixpk= 742, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 752, 753,
&end
#
# 11 VAL MGY 50 MET HN 4.50 (# 743:10 Unique 2.83, 4.61 A)
&rst
ixpk= 743, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGX 50 MET HN 3.50 (# 744:10 Unique 2.83, 4.61 A)
&rst
ixpk= 744, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 10-2:745 50 MET HN 5.50 (# 745:10 Single Ambig)
&rst
ixpk= 745, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 626, 627,1604,1605,1053,1054,1055,
&end
#
# 54 LEU HN 51 TYR HN 5.50 (# 746:10 Unique 4.75, 4.87 A)
&rst
ixpk= 746, nxpk= 10, iat= 820, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 MET HN 51 TYR HN 4.50 (# 748:10 Unique 2.43, 2.68 A)
&rst
ixpk= 748, nxpk= 10, iat= 748, 765, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:749 51 TYR HN 5.50 (# 749:10 Single Ambig)
&rst
ixpk= 749, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 721, 839,
&end
#
# 51 TYR HD 51 TYR HN 3.50 (# 750:10 Unique 1.84, 3.30 A)
&rst
ixpk= 750, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 773, 782,
&end
#
# 51 TYR HE 51 TYR HN 5.50 (# 751:10 Unique 3.91, 4.93 A)
&rst
ixpk= 751, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 775, 780,
&end
#
# 52 ARG HA 51 TYR HN 5.50 (# 752:10 Unique 4.64, 4.74 A)
&rst
ixpk= 752, nxpk= 10, iat= 788, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:753 51 TYR HN 3.50 (# 753:10 Single Ambig)
&rst
ixpk= 753, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 767, 723, 740,
&end
#
# 50 MET HA 51 TYR HN 5.50 (# 754:10 Unique 3.46, 3.51 A)
&rst
ixpk= 754, nxpk= 10, iat= 750, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 GLU HA 51 TYR HN 5.50 (# 755:10 Unique 4.79, 5.10 A)
&rst
ixpk= 755, nxpk= 10, iat= 708, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HB+ 51 TYR HN 4.50 (# 756:10 Unique 2.54, 3.15 A)
&rst
ixpk= 756, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 769, 770,
&end
#
# 51 TYR HB- 51 TYR HN 4.50 (# 757:10 Unique 2.54, 3.15 A)
&rst
ixpk= 757, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 769, 770,
&end
#
# 0 AMB 10-2:758 51 TYR HN 5.50 (# 758:10 Single Ambig)
&rst
ixpk= 758, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 728, 729, 728, 729,
&end
#
# 0 AMB 10-2:760 51 TYR HN 5.50 (# 760:10 Single Ambig)
&rst
ixpk= 760, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 713, 714, 677, 678, 674, 675, 674, 675,
&end
#
# 0 AMB 10-2:761 51 TYR HN 5.50 (# 761:10 Single Ambig)
&rst
ixpk= 761, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 790, 791, 824, 825,
&end
#
# 0 AMB 10-2:762 51 TYR HN 4.50 (# 762:10 Single Ambig)
&rst
ixpk= 762, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 742, 743, 744, 827, 793, 794,
&end
#
# 50 MET HB- 51 TYR HN 4.50 (# 764:10 Unique 2.54, 3.35 A)
&rst
ixpk= 764, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 752, 753,
&end
#
# 11 VAL MGY 51 TYR HN 5.50 (# 765:10 Unique 4.42, 5.91 A)
&rst
ixpk= 765, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 54 LEU MDX 51 TYR HN 4.50 (# 766:10 Unique 4.50, 6.99 A)
&rst
ixpk= 766, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 10-2:767 51 TYR HN 3.50 (# 767:10 Single Ambig)
&rst
ixpk= 767, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 759, 760, 761, 192, 193, 194, 162, 163, 164, 166,
167, 168,
&end
#
# 52 ARG HE 52 ARG HN 5.50 (# 768:10 Unique 2.94, 3.26 A)
&rst
ixpk= 768, nxpk= 10, iat= 799, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LEU HN 52 ARG HN 5.50 (# 769:10 Unique 3.73, 3.85 A)
&rst
ixpk= 769, nxpk= 10, iat= 820, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:770 52 ARG HN 4.50 (# 770:10 Single Ambig)
&rst
ixpk= 770, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 810, 748,
&end
#
# 0 AMB 10-2:771 52 ARG HN 5.50 (# 771:10 Single Ambig)
&rst
ixpk= 771, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 839, 721,
&end
#
# 0 AMB 10-2:772 52 ARG HN 4.50 (# 772:10 Single Ambig)
&rst
ixpk= 772, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 773, 782, 847, 855,
&end
#
# 62 ARG HE 52 ARG HN 5.50 (# 773:10 Unique 4.70, 5.27 A)
&rst
ixpk= 773, nxpk= 10, iat= 955, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ARG HA 52 ARG HN 4.50 (# 775:10 Unique 2.70, 2.74 A)
&rst
ixpk= 775, nxpk= 10, iat= 788, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:776 52 ARG HN 3.50 (# 776:10 Single Ambig)
&rst
ixpk= 776, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 740, 767,
&end
#
# 0 AMB 10-2:777 52 ARG HN 5.50 (# 777:10 Single Ambig)
&rst
ixpk= 777, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 750, 796, 797,
&end
#
# 0 AMB 10-2:778 52 ARG HN 5.50 (# 778:10 Single Ambig)
&rst
ixpk= 778, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 796, 797, 843, 844,
&end
#
# 51 TYR HB+ 52 ARG HN 4.50 (# 779:10 Unique 3.12, 3.80 A)
&rst
ixpk= 779, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 769, 770,
&end
#
# 51 TYR HB- 52 ARG HN 5.50 (# 780:10 Unique 3.12, 3.80 A)
&rst
ixpk= 780, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 769, 770,
&end
#
# 0 AMB 10-2:782 52 ARG HN 5.50 (# 782:10 Single Ambig)
&rst
ixpk= 782, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 677, 678, 674, 675, 674, 675, 863, 864, 713, 714,
&end
#
# 52 ARG HB- 52 ARG HN 3.50 (# 783:10 Unique 2.15, 2.56 A)
&rst
ixpk= 783, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 790, 791,
&end
#
# 52 ARG HB+ 52 ARG HN 3.50 (# 784:10 Unique 2.15, 2.56 A)
&rst
ixpk= 784, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 790, 791,
&end
#
# 0 AMB 10-2:785 52 ARG HN 4.50 (# 785:10 Single Ambig)
&rst
ixpk= 785, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 793, 794, 742, 743, 744,
&end
#
# 0 AMB 10-2:786 52 ARG HN 4.50 (# 786:10 Single Ambig)
&rst
ixpk= 786, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 752, 753, 814, 815, 816, 189, 190, 949, 950,
&end
#
# 54 LEU MDX 52 ARG HN 5.50 (# 787:10 Unique 5.24, 7.44 A)
&rst
ixpk= 787, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 10-2:788 52 ARG HN 5.50 (# 788:10 Single Ambig)
&rst
ixpk= 788, nxpk= 10, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 162, 163, 164, 166, 167, 168, 192, 193, 194,
&end
#
# 54 LEU HN 53 ALA HN 4.50 (# 790:10 Unique 2.15, 2.22 A)
&rst
ixpk= 790, nxpk= 10, iat= 820, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ARG HN 53 ALA HN 4.50 (# 791:10 Unique 2.75, 2.87 A)
&rst
ixpk= 791, nxpk= 10, iat= 786, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 PHE HN 53 ALA HN 5.50 (# 792:10 Unique 4.17, 4.59 A)
&rst
ixpk= 792, nxpk= 10, iat= 839, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:793 53 ALA HN 5.50 (# 793:10 Single Ambig)
&rst
ixpk= 793, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 847, 855, 773, 782,
&end
#
# 52 ARG HA 53 ALA HN 5.50 (# 795:10 Unique 3.48, 3.52 A)
&rst
ixpk= 795, nxpk= 10, iat= 788, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:796 53 ALA HN 3.50 (# 796:10 Single Ambig)
&rst
ixpk= 796, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 812, 767,
&end
#
# 0 AMB 10-2:797 53 ALA HN 5.50 (# 797:10 Single Ambig)
&rst
ixpk= 797, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 750, 796, 797, 843, 844,
&end
#
# 0 AMB 10-2:798 53 ALA HN 5.50 (# 798:10 Single Ambig)
&rst
ixpk= 798, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 796, 797, 843, 844,
&end
#
# 57 GLU HG- 53 ALA HN 5.50 (# 799:10 Unique 5.03, 6.10 A)
&rst
ixpk= 799, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 881, 882,
&end
#
# 0 AMB 10-2:800 53 ALA HN 5.50 (# 800:10 Single Ambig)
&rst
ixpk= 800, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 863, 864, 878, 879, 677, 678,
&end
#
# 52 ARG HB+ 53 ALA HN 4.50 (# 801:10 Unique 2.24, 3.16 A)
&rst
ixpk= 801, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 790, 791,
&end
#
# 52 ARG HB- 53 ALA HN 4.50 (# 802:10 Unique 2.24, 3.16 A)
&rst
ixpk= 802, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 790, 791,
&end
#
# 0 AMB 10-2:803 53 ALA HN 3.50 (# 803:10 Single Ambig)
&rst
ixpk= 803, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 793, 794, 755, 756, 742, 743, 744,
&end
#
# 53 ALA MB 53 ALA HN 2.80 (# 804:10 Unique 2.08, 2.99 A)
&rst
ixpk= 804, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 814, 815, 816,
&end
#
# 54 LEU MDX 53 ALA HN 5.50 (# 805:10 Unique 4.38, 6.78 A)
&rst
ixpk= 805, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 10-2:806 53 ALA HN 4.50 (# 806:10 Single Ambig)
&rst
ixpk= 806, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 192, 193, 194, 162, 163, 164, 166, 167, 168, 189,
190,
&end
#
# 53 ALA HN 54 LEU HN 4.50 (# 807:10 Unique 2.15, 2.22 A)
&rst
ixpk= 807, nxpk= 10, iat= 810, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:808 54 LEU HN 5.50 (# 808:10 Single Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 786, 765,
&end
#
# 55 PHE HN 54 LEU HN 4.50 (# 809:10 Unique 2.60, 2.89 A)
&rst
ixpk= 809, nxpk= 10, iat= 839, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 PHE HD 54 LEU HN 5.50 (# 810:10 Unique 3.70, 5.49 A)
&rst
ixpk= 810, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 847, 855,
&end
#
# 0 AMB 10-2:812 54 LEU HN 4.50 (# 812:10 Single Ambig)
&rst
ixpk= 812, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 767, 812,
&end
#
# 54 LEU HA 54 LEU HN 4.50 (# 813:10 Unique 2.72, 2.77 A)
&rst
ixpk= 813, nxpk= 10, iat= 822, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:814 54 LEU HN 5.50 (# 814:10 Single Ambig)
&rst
ixpk= 814, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 843, 844, 750,
&end
#
# 0 AMB 10-2:815 54 LEU HN 5.50 (# 815:10 Single Ambig)
&rst
ixpk= 815, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 843, 844, 796, 797,
&end
#
# 0 AMB 10-2:816 54 LEU HN 5.50 (# 816:10 Single Ambig)
&rst
ixpk= 816, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 866, 867, 952, 953, 952, 953,
&end
#
# 57 GLU HB+ 54 LEU HN 5.50 (# 817:10 Unique 4.28, 5.58 A)
&rst
ixpk= 817, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 878, 879,
&end
#
# 54 LEU HB+ 54 LEU HN 3.50 (# 818:10 Unique 2.04, 2.55 A)
&rst
ixpk= 818, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 824, 825,
&end
#
# 0 AMB 10-2:819 54 LEU HN 5.50 (# 819:10 Single Ambig)
&rst
ixpk= 819, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 755, 756, 793, 794,1943,1944,
&end
#
# 0 AMB 10-2:820 54 LEU HN 3.50 (# 820:10 Single Ambig)
&rst
ixpk= 820, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 189, 190, 814, 815, 816,
&end
#
# 0 AMB 10-2:821 54 LEU HN 3.50 (# 821:10 Single Ambig)
&rst
ixpk= 821, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 829, 830, 831, 833, 834, 835, 185, 186, 187,
&end
#
# 0 AMB 10-2:822 54 LEU HN 3.50 (# 822:10 Single Ambig)
&rst
ixpk= 822, nxpk= 10, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 192, 193, 194, 189, 190,
&end
#
# 53 ALA HN 55 PHE HN 5.50 (# 824:10 Unique 4.17, 4.59 A)
&rst
ixpk= 824, nxpk= 10, iat= 810, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLY HN 55 PHE HN 5.50 (# 825:10 Unique 4.30, 4.70 A)
&rst
ixpk= 825, nxpk= 10, iat= 905, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HD 55 PHE HN 4.50 (# 828:10 Unique 2.09, 3.39 A)
&rst
ixpk= 828, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 847, 855,
&end
#
# 60 LEU HN 55 PHE HN 5.50 (# 829:10 Unique 4.27, 4.58 A)
&rst
ixpk= 829, nxpk= 10, iat= 912, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 SER HA 55 PHE HN 5.50 (# 830:10 Unique 2.92, 3.97 A)
&rst
ixpk= 830, nxpk= 10, iat= 933, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HA 55 PHE HN 3.50 (# 831:10 Unique 2.77, 2.83 A)
&rst
ixpk= 831, nxpk= 10, iat= 841, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:832 55 PHE HN 5.50 (# 832:10 Single Ambig)
&rst
ixpk= 832, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 812, 767,
&end
#
# 56 GLU HA 55 PHE HN 5.50 (# 833:10 Unique 4.97, 5.21 A)
&rst
ixpk= 833, nxpk= 10, iat= 861, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LEU HA 55 PHE HN 4.50 (# 834:10 Unique 3.47, 3.54 A)
&rst
ixpk= 834, nxpk= 10, iat= 822, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 PHE HB+ 55 PHE HN 3.50 (# 835:10 Unique 2.07, 3.09 A)
&rst
ixpk= 835, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 843, 844,
&end
#
# 55 PHE HB- 55 PHE HN 3.50 (# 836:10 Unique 2.07, 3.09 A)
&rst
ixpk= 836, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 843, 844,
&end
#
# 57 GLU HG+ 55 PHE HN 5.50 (# 837:10 Unique 4.11, 6.21 A)
&rst
ixpk= 837, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 881, 882,
&end
#
# 56 GLU HG+ 55 PHE HN 5.50 (# 838:10 Unique 3.47, 4.82 A)
&rst
ixpk= 838, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 866, 867,
&end
#
# 0 AMB 10-2:839 55 PHE HN 5.50 (# 839:10 Single Ambig)
&rst
ixpk= 839, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 866, 867, 881, 882,
&end
#
# 0 AMB 10-2:840 55 PHE HN 5.50 (# 840:10 Single Ambig)
&rst
ixpk= 840, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 863, 864, 878, 879,
&end
#
# 54 LEU HB+ 55 PHE HN 4.50 (# 841:10 Unique 1.96, 3.00 A)
&rst
ixpk= 841, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 824, 825,
&end
#
# 54 LEU HB- 55 PHE HN 4.50 (# 842:10 Unique 1.96, 3.00 A)
&rst
ixpk= 842, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 824, 825,
&end
#
# 54 LEU HG 55 PHE HN 4.50 (# 843:10 Unique 3.05, 4.14 A)
&rst
ixpk= 843, nxpk= 10, iat= 827, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:844 55 PHE HN 5.50 (# 844:10 Single Ambig)
&rst
ixpk= 844, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 189, 190, 814, 815, 816, 949, 950,
&end
#
# 0 AMB 10-2:845 55 PHE HN 4.50 (# 845:10 Single Ambig)
&rst
ixpk= 845, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 189, 190, 192, 193, 194, 921, 922, 923, 925, 926,
927, 921, 922, 923, 925, 926, 927,
&end
#
# 54 LEU MDX 55 PHE HN 3.50 (# 846:10 Unique 2.09, 5.19 A)
&rst
ixpk= 846, nxpk= 10, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 829, 830, 831, 833, 834, 835,
&end
#
# 53 ALA HN 56 GLU HN 5.50 (# 847:10 Unique 4.86, 5.09 A)
&rst
ixpk= 847, nxpk= 10, iat= 810, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HN 56 GLU HN 4.50 (# 849:10 Unique 2.31, 2.60 A)
&rst
ixpk= 849, nxpk= 10, iat= 839, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 GLY HN 56 GLU HN 5.50 (# 850:10 Unique 3.91, 4.21 A)
&rst
ixpk= 850, nxpk= 10, iat= 905, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HD 56 GLU HN 4.50 (# 852:10 Unique 2.21, 4.19 A)
&rst
ixpk= 852, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 847, 855,
&end
#
# 60 LEU HN 56 GLU HN 5.50 (# 853:10 Unique 4.97, 5.40 A)
&rst
ixpk= 853, nxpk= 10, iat= 912, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:854 56 GLU HN 5.50 (# 854:10 Single Ambig)
&rst
ixpk= 854, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 876, 914,1857,
&end
#
# 55 PHE HA 56 GLU HN 4.50 (# 855:10 Unique 3.35, 3.45 A)
&rst
ixpk= 855, nxpk= 10, iat= 841, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 ALA HA 56 GLU HN 4.50 (# 856:10 Unique 2.87, 3.19 A)
&rst
ixpk= 856, nxpk= 10, iat= 812, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:857 56 GLU HN 5.50 (# 857:10 Single Ambig)
&rst
ixpk= 857, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1890,1891,1938,
&end
#
# 56 GLU HA 56 GLU HN 4.50 (# 858:10 Unique 2.85, 2.90 A)
&rst
ixpk= 858, nxpk= 10, iat= 861, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 GLY HA- 56 GLU HN 5.50 (# 859:10 Unique 4.56, 5.54 A)
&rst
ixpk= 859, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 907, 908,
&end
#
# 55 PHE HB+ 56 GLU HN 4.50 (# 860:10 Unique 2.41, 3.78 A)
&rst
ixpk= 860, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 843, 844,
&end
#
# 55 PHE HB- 56 GLU HN 4.50 (# 861:10 Unique 2.41, 3.78 A)
&rst
ixpk= 861, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 843, 844,
&end
#
# 57 GLU HG+ 56 GLU HN 5.50 (# 862:10 Unique 3.26, 4.95 A)
&rst
ixpk= 862, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 881, 882,
&end
#
# 56 GLU HG+ 56 GLU HN 3.50 (# 863:10 Unique 1.96, 2.98 A)
&rst
ixpk= 863, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 866, 867,
&end
#
# 56 GLU HG- 56 GLU HN 3.50 (# 864:10 Unique 1.96, 2.98 A)
&rst
ixpk= 864, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 866, 867,
&end
#
# 56 GLU HB+ 56 GLU HN 3.50 (# 865:10 Unique 2.20, 3.09 A)
&rst
ixpk= 865, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 863, 864,
&end
#
# 56 GLU HB- 56 GLU HN 3.50 (# 866:10 Unique 2.20, 3.09 A)
&rst
ixpk= 866, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 863, 864,
&end
#
# 0 AMB 10-2:867 56 GLU HN 5.50 (# 867:10 Single Ambig)
&rst
ixpk= 867, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 827,1926,1927, 793, 794, 793, 794,
&end
#
# 0 AMB 10-2:869 56 GLU HN 5.50 (# 869:10 Single Ambig)
&rst
ixpk= 869, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 814, 815, 816, 189, 190,
&end
#
# 0 AMB 10-2:870 56 GLU HN 5.50 (# 870:10 Single Ambig)
&rst
ixpk= 870, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 829, 830, 831, 833, 834, 835, 895, 896, 897, 899,
900, 901, 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 10-2:871 56 GLU HN 5.50 (# 871:10 Single Ambig)
&rst
ixpk= 871, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 189, 190, 192, 193, 194, 921, 922, 923, 925, 926,
927,
&end
#
# 55 PHE HN 57 GLU HN 5.50 (# 873:10 Unique 3.62, 3.91 A)
&rst
ixpk= 873, nxpk= 10, iat= 839, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLY HN 57 GLU HN 5.50 (# 874:10 Unique 2.76, 3.03 A)
&rst
ixpk= 874, nxpk= 10, iat= 905, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL HN 57 GLU HN 4.50 (# 875:10 Unique 2.03, 2.30 A)
&rst
ixpk= 875, nxpk= 10, iat= 889, 874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 PHE HD 57 GLU HN 5.50 (# 876:10 Unique 4.59, 5.87 A)
&rst
ixpk= 876, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 847, 855,
&end
#
# 57 GLU HA 57 GLU HN 4.50 (# 877:10 Unique 2.87, 2.93 A)
&rst
ixpk= 877, nxpk= 10, iat= 876, 874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:878 57 GLU HN 5.50 (# 878:10 Single Ambig)
&rst
ixpk= 878, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 841,1840,
&end
#
# 53 ALA HA 57 GLU HN 5.50 (# 879:10 Unique 4.23, 4.45 A)
&rst
ixpk= 879, nxpk= 10, iat= 812, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLU HA 57 GLU HN 5.50 (# 880:10 Unique 3.29, 3.32 A)
&rst
ixpk= 880, nxpk= 10, iat= 861, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HB- 57 GLU HN 5.50 (# 881:10 Unique 4.49, 5.26 A)
&rst
ixpk= 881, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 843, 844,
&end
#
# 57 GLU HG+ 57 GLU HN 4.50 (# 882:10 Unique 1.97, 3.53 A)
&rst
ixpk= 882, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 881, 882,
&end
#
# 56 GLU HG+ 57 GLU HN 5.50 (# 883:10 Unique 2.92, 4.76 A)
&rst
ixpk= 883, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 866, 867,
&end
#
# 57 GLU HG- 57 GLU HN 4.50 (# 884:10 Unique 1.97, 3.53 A)
&rst
ixpk= 884, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 881, 882,
&end
#
# 57 GLU HB+ 57 GLU HN 3.50 (# 885:10 Unique 2.13, 2.99 A)
&rst
ixpk= 885, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 878, 879,
&end
#
# 56 GLU HB- 57 GLU HN 4.50 (# 886:10 Unique 3.20, 3.85 A)
&rst
ixpk= 886, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 863, 864,
&end
#
# 0 AMB 10-2:888 57 GLU HN 5.50 (# 888:10 Single Ambig)
&rst
ixpk= 888, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1943,1944, 183, 793, 794,
&end
#
# 0 AMB 10-2:889 57 GLU HN 5.50 (# 889:10 Single Ambig)
&rst
ixpk= 889, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 814, 815, 816, 189, 190,
&end
#
# 0 AMB 10-2:890 57 GLU HN 4.50 (# 890:10 Single Ambig)
&rst
ixpk= 890, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901, 829, 830, 831, 833, 834, 835,
&end
#
# 0 AMB 10-2:891 57 GLU HN 5.50 (# 891:10 Single Ambig)
&rst
ixpk= 891, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 189, 190, 192, 193, 194, 921, 922, 923, 925, 926,
927,
&end
#
# 57 GLU HN 58 VAL HN 4.50 (# 892:10 Unique 2.03, 2.30 A)
&rst
ixpk= 892, nxpk= 10, iat= 874, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 GLU HA 58 VAL HN 5.50 (# 895:10 Unique 3.51, 3.56 A)
&rst
ixpk= 895, nxpk= 10, iat= 876, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 SER HA 21 GLN HE2+ 4.50 (# 896:10 Unique 1.91, 4.23 A)
&rst
ixpk= 896, nxpk= 10, iat=2080, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 318, 319,
&end
#
# 0 AMB 10-2:897 0 AMB 10-1:897 5.50 (# 897:10 Double Ambig)
&rst
ixpk= 897, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 907, 908, 260,
igr2= 889, 318, 319,
&end
#
# 59 GLY HA- 58 VAL HN 5.50 (# 898:10 Unique 4.00, 4.36 A)
&rst
ixpk= 898, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 907, 908,
&end
#
# 57 GLU HG+ 58 VAL HN 5.50 (# 899:10 Unique 1.95, 4.47 A)
&rst
ixpk= 899, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 881, 882,
&end
#
# 57 GLU HG- 58 VAL HN 5.50 (# 900:10 Unique 1.95, 4.47 A)
&rst
ixpk= 900, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 881, 882,
&end
#
# 0 AMB 10-2:901 0 AMB 10-1:901 3.50 (# 901:10 Double Ambig)
&rst
ixpk= 901, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 289, 290, 893,
igr2= 318, 319, 889,
&end
#
# 0 AMB 10-2:902 0 AMB 10-1:902 5.50 (# 902:10 Double Ambig)
&rst
ixpk= 902, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 248, 249, 824, 825, 183,
igr2= 318, 319, 889,
&end
#
# 0 AMB 10-2:903 58 VAL HN 3.50 (# 903:10 Single Ambig)
&rst
ixpk= 903, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 0 AMB 10-2:905 59 GLY HN 5.50 (# 905:10 Single Ambig)
&rst
ixpk= 905, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 0 AMB 10-2:906 59 GLY HN 3.50 (# 906:10 Single Ambig)
&rst
ixpk= 906, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 0 AMB 10-2:907 59 GLY HN 5.50 (# 907:10 Single Ambig)
&rst
ixpk= 907, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 824, 825, 183,
&end
#
# 58 VAL HB 59 GLY HN 5.50 (# 908:10 Unique 3.52, 4.06 A)
&rst
ixpk= 908, nxpk= 10, iat= 893, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HG+ 59 GLY HN 5.50 (# 909:10 Unique 3.60, 6.01 A)
&rst
ixpk= 909, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 881, 882,
&end
#
# 0 AMB 10-2:910 59 GLY HN 5.50 (# 910:10 Single Ambig)
&rst
ixpk= 910, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1828,1829,1828,1829,
&end
#
# 59 GLY HA- 59 GLY HN 4.50 (# 911:10 Unique 2.29, 2.61 A)
&rst
ixpk= 911, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 907, 908,
&end
#
# 59 GLY HA+ 59 GLY HN 4.50 (# 912:10 Unique 2.29, 2.61 A)
&rst
ixpk= 912, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 907, 908,
&end
#
# 60 LEU HN 59 GLY HN 5.50 (# 914:10 Unique 2.01, 2.49 A)
&rst
ixpk= 914, nxpk= 10, iat= 912, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HD 59 GLY HN 5.50 (# 915:10 Unique 5.04, 6.05 A)
&rst
ixpk= 915, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 847, 855,
&end
#
# 58 VAL HN 59 GLY HN 4.50 (# 916:10 Unique 1.82, 1.90 A)
&rst
ixpk= 916, nxpk= 10, iat= 889, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:917 59 GLY HN 5.50 (# 917:10 Single Ambig)
&rst
ixpk= 917, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1824,1855,
&end
#
# 57 GLU HN 59 GLY HN 5.50 (# 918:10 Unique 2.76, 3.03 A)
&rst
ixpk= 918, nxpk= 10, iat= 874, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:919 60 LEU HN 3.50 (# 919:10 Single Ambig)
&rst
ixpk= 919, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 0 AMB 10-2:920 60 LEU HN 3.50 (# 920:10 Single Ambig)
&rst
ixpk= 920, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 829, 830, 831, 833, 834, 835, 895, 896, 897, 899,
900, 901, 895, 896, 897, 899, 900, 901,
&end
#
# 60 LEU HB- 60 LEU HN 5.50 (# 921:10 Unique 2.30, 3.19 A)
&rst
ixpk= 921, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 916, 917,
&end
#
# 54 LEU HG 60 LEU HN 4.50 (# 922:10 Unique 2.70, 4.10 A)
&rst
ixpk= 922, nxpk= 10, iat= 827, 912, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 LEU HG 60 LEU HN 3.50 (# 923:10 Unique 2.00, 2.65 A)
&rst
ixpk= 923, nxpk= 10, iat= 919, 912, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 LEU HB+ 60 LEU HN 5.50 (# 924:10 Unique 3.83, 5.21 A)
&rst
ixpk= 924, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 824, 825,
&end
#
# 58 VAL HB 60 LEU HN 5.50 (# 925:10 Unique 3.16, 4.22 A)
&rst
ixpk= 925, nxpk= 10, iat= 893, 912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:926 60 LEU HN 5.50 (# 926:10 Single Ambig)
&rst
ixpk= 926, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1828,1829, 769, 770, 866, 867,
&end
#
# 0 AMB 10-2:927 60 LEU HN 5.50 (# 927:10 Single Ambig)
&rst
ixpk= 927, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 992, 993, 992, 993,
&end
#
# 55 PHE HB- 60 LEU HN 5.50 (# 928:10 Unique 3.66, 4.76 A)
&rst
ixpk= 928, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 843, 844,
&end
#
# 55 PHE HB+ 60 LEU HN 5.50 (# 929:10 Unique 3.66, 4.76 A)
&rst
ixpk= 929, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 843, 844,
&end
#
# 59 GLY HA- 60 LEU HN 5.50 (# 930:10 Unique 2.52, 3.22 A)
&rst
ixpk= 930, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 907, 908,
&end
#
# 59 GLY HA+ 60 LEU HN 5.50 (# 931:10 Unique 2.52, 3.22 A)
&rst
ixpk= 931, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 907, 908,
&end
#
# 55 PHE HA 60 LEU HN 4.50 (# 932:10 Unique 1.97, 2.51 A)
&rst
ixpk= 932, nxpk= 10, iat= 841, 912, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 LEU HA 60 LEU HN 4.50 (# 933:10 Unique 2.90, 2.93 A)
&rst
ixpk= 933, nxpk= 10, iat= 914, 912, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 PHE HD 60 LEU HN 5.50 (# 934:10 Unique 3.49, 5.92 A)
&rst
ixpk= 934, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 847, 855,
&end
#
# 59 GLY HN 60 LEU HN 4.50 (# 936:10 Unique 2.01, 2.49 A)
&rst
ixpk= 936, nxpk= 10, iat= 905, 912, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 PHE HN 60 LEU HN 5.50 (# 937:10 Unique 4.27, 4.58 A)
&rst
ixpk= 937, nxpk= 10, iat= 839, 912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:938 60 LEU HN 5.50 (# 938:10 Single Ambig)
&rst
ixpk= 938, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1824,1855,
&end
#
# 0 AMB 10-2:939 60 LEU HN 5.50 (# 939:10 Single Ambig)
&rst
ixpk= 939, nxpk= 10, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 874, 859,
&end
#
# 61 SER HN 60 LEU HN 5.50 (# 940:10 Unique 1.99, 3.57 A)
&rst
ixpk= 940, nxpk= 10, iat= 931, 912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ARG HN 61 SER HN 5.50 (# 941:10 Unique 4.28, 4.43 A)
&rst
ixpk= 941, nxpk= 10, iat= 942, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ASP HN 61 SER HN 5.50 (# 942:10 Unique 2.79, 3.77 A)
&rst
ixpk= 942, nxpk= 10, iat= 988, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 LEU HN 61 SER HN 5.50 (# 946:10 Unique 1.99, 3.57 A)
&rst
ixpk= 946, nxpk= 10, iat= 912, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 LEU HA 61 SER HN 3.50 (# 947:10 Unique 2.28, 2.97 A)
&rst
ixpk= 947, nxpk= 10, iat= 914, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 SER HA 61 SER HN 4.50 (# 948:10 Unique 2.28, 2.64 A)
&rst
ixpk= 948, nxpk= 10, iat= 933, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 PHE HA 61 SER HN 5.50 (# 949:10 Unique 2.91, 4.50 A)
&rst
ixpk= 949, nxpk= 10, iat= 841, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:951 61 SER HN 4.50 (# 951:10 Single Ambig)
&rst
ixpk= 951, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 992, 993, 992, 993,
&end
#
# 54 LEU HG 61 SER HN 5.50 (# 953:10 Unique 1.73, 3.08 A)
&rst
ixpk= 953, nxpk= 10, iat= 827, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 LYS HG+ 61 SER HN 4.50 (# 954:10 Unique 2.91, 5.16 A)
&rst
ixpk= 954, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 973, 974,
&end
#
# 60 LEU HB+ 61 SER HN 3.50 (# 955:10 Unique 1.85, 2.75 A)
&rst
ixpk= 955, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 916, 917,
&end
#
# 65 VAL MGX 61 SER HN 4.50 (# 956:10 Unique 2.48, 4.77 A)
&rst
ixpk= 956, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1006,1007,1008,1010,1011,1012,
&end
#
# 0 AMB 10-2:957 61 SER HN 3.50 (# 957:10 Single Ambig)
&rst
ixpk= 957, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 0 AMB 10-2:958 61 SER HN 3.50 (# 958:10 Single Ambig)
&rst
ixpk= 958, nxpk= 10, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 829, 830, 831, 833, 834, 835, 895, 896, 897, 899,
900, 901, 895, 896, 897, 899, 900, 901,
&end
#
# 61 SER HN 63 LYS HN 5.50 (# 959:10 Unique 3.48, 4.17 A)
&rst
ixpk= 959, nxpk= 10, iat= 931, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ARG HN 63 LYS HN 4.50 (# 960:10 Unique 2.58, 2.67 A)
&rst
ixpk= 960, nxpk= 10, iat= 942, 966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL HN 63 LYS HN 5.50 (# 961:10 Unique 3.56, 4.28 A)
&rst
ixpk= 961, nxpk= 10, iat=1000, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HE 63 LYS HN 5.50 (# 963:10 Unique 5.32, 6.92 A)
&rst
ixpk= 963, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 775, 780,
&end
#
# 61 SER HA 63 LYS HN 5.50 (# 964:10 Unique 3.90, 4.06 A)
&rst
ixpk= 964, nxpk= 10, iat= 933, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 LYS HA 63 LYS HN 3.50 (# 965:10 Unique 2.88, 2.92 A)
&rst
ixpk= 965, nxpk= 10, iat= 968, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ARG HA 63 LYS HN 4.50 (# 967:10 Unique 3.21, 3.33 A)
&rst
ixpk= 967, nxpk= 10, iat= 944, 966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:968 63 LYS HN 5.50 (# 968:10 Single Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 992, 993, 992, 993, 769, 770,
&end
#
# 0 AMB 10-2:969 63 LYS HN 5.50 (# 969:10 Single Ambig)
&rst
ixpk= 969, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 952, 953, 952, 953,
&end
#
# 63 LYS HB+ 63 LYS HN 3.50 (# 970:10 Unique 2.14, 3.08 A)
&rst
ixpk= 970, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 970, 971,
&end
#
# 0 AMB 10-2:971 63 LYS HN 5.50 (# 971:10 Single Ambig)
&rst
ixpk= 971, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 827,1683,1684,
&end
#
# 62 ARG HB+ 63 LYS HN 4.50 (# 972:10 Unique 3.41, 4.20 A)
&rst
ixpk= 972, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 946, 947,
&end
#
# 0 AMB 10-2:973 63 LYS HN 2.80 (# 973:10 Single Ambig)
&rst
ixpk= 973, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 973, 974, 973, 974,
&end
#
# 0 AMB 10-2:974 63 LYS HN 4.50 (# 974:10 Single Ambig)
&rst
ixpk= 974, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 949, 950,1006,1007,1008,1010,1011,1012,
&end
#
# 0 AMB 10-2:975 64 ASP HN 4.50 (# 975:10 Single Ambig)
&rst
ixpk= 975, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 0 AMB 10-2:976 64 ASP HN 3.50 (# 976:10 Single Ambig)
&rst
ixpk= 976, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 829, 830, 831, 833, 834, 835,1740,1741,1742,1744,
1745,1746,
&end
#
# 0 AMB 10-2:977 64 ASP HN 3.50 (# 977:10 Single Ambig)
&rst
ixpk= 977, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1006,1007,1008,1010,1011,1012,1006,1007,1008,1010,
1011,1012,
&end
#
# 0 AMB 10-2:978 64 ASP HN 3.50 (# 978:10 Single Ambig)
&rst
ixpk= 978, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 973, 974, 973, 974,
&end
#
# 0 AMB 10-2:979 64 ASP HN 4.50 (# 979:10 Single Ambig)
&rst
ixpk= 979, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 916, 917, 946, 947,
&end
#
# 0 AMB 10-2:980 64 ASP HN 5.50 (# 980:10 Single Ambig)
&rst
ixpk= 980, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 827,1683,1684,
&end
#
# 63 LYS HB+ 64 ASP HN 4.50 (# 981:10 Unique 3.00, 4.26 A)
&rst
ixpk= 981, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 970, 971,
&end
#
# 0 AMB 10-2:982 64 ASP HN 3.50 (# 982:10 Single Ambig)
&rst
ixpk= 982, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 992, 993, 992, 993,
&end
#
# 61 SER HB+ 64 ASP HN 5.50 (# 984:10 Unique 3.36, 4.65 A)
&rst
ixpk= 984, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 935, 936,
&end
#
# 63 LYS HA 64 ASP HN 4.50 (# 985:10 Unique 3.20, 3.28 A)
&rst
ixpk= 985, nxpk= 10, iat= 968, 988, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL HA 64 ASP HN 5.50 (# 987:10 Unique 4.42, 4.65 A)
&rst
ixpk= 987, nxpk= 10, iat=1002, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HE 64 ASP HN 5.50 (# 988:10 Unique 5.49, 7.34 A)
&rst
ixpk= 988, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 775, 780,
&end
#
# 65 VAL HN 64 ASP HN 3.50 (# 989:10 Unique 1.78, 2.33 A)
&rst
ixpk= 989, nxpk= 10, iat=1000, 988, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ARG HN 64 ASP HN 5.50 (# 990:10 Unique 4.13, 4.26 A)
&rst
ixpk= 990, nxpk= 10, iat= 942, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 SER HN 64 ASP HN 5.50 (# 991:10 Unique 2.79, 3.77 A)
&rst
ixpk= 991, nxpk= 10, iat= 931, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 VAL HN 65 VAL HN 5.50 (# 993:10 Unique 4.73, 5.26 A)
&rst
ixpk= 993, nxpk= 10, iat=1734,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ARG HN 65 VAL HN 5.50 (# 994:10 Unique 4.34, 4.39 A)
&rst
ixpk= 994, nxpk= 10, iat=1016,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ASP HN 65 VAL HN 3.50 (# 995:10 Unique 1.78, 2.33 A)
&rst
ixpk= 995, nxpk= 10, iat= 988,1000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 TYR HE 65 VAL HN 5.50 (# 996:10 Unique 4.51, 7.09 A)
&rst
ixpk= 996, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 775, 780,
&end
#
# 65 VAL HA 65 VAL HN 4.50 (# 997:10 Unique 2.89, 2.92 A)
&rst
ixpk= 997, nxpk= 10, iat=1002,1000, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ASP HA 65 VAL HN 4.50 (# 998:10 Unique 2.43, 2.90 A)
&rst
ixpk= 998, nxpk= 10, iat= 990,1000, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 LYS HA 65 VAL HN 5.50 (# 999:10 Unique 3.91, 4.21 A)
&rst
ixpk= 999, nxpk= 10, iat= 968,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ARG HA 65 VAL HN 5.50 (# 1001:10 Unique 3.23, 3.81 A)
&rst
ixpk= 1001, nxpk= 10, iat= 944,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1002 65 VAL HN 4.50 (# 1002:10 Single Ambig)
&rst
ixpk= 1002, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 992, 993, 992, 993,
&end
#
# 65 VAL HB 65 VAL HN 5.50 (# 1003:10 Unique 3.64, 3.89 A)
&rst
ixpk= 1003, nxpk= 10, iat=1004,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 VAL HB 65 VAL HN 5.50 (# 1004:10 Unique 3.54, 4.51 A)
&rst
ixpk= 1004, nxpk= 10, iat=1738,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1005 65 VAL HN 5.50 (# 1005:10 Single Ambig)
&rst
ixpk= 1005, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 970, 971,1722,
&end
#
# 0 AMB 10-2:1006 65 VAL HN 5.50 (# 1006:10 Single Ambig)
&rst
ixpk= 1006, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 976, 977,1020,1021,1050,1051,
&end
#
# 0 AMB 10-2:1008 65 VAL HN 5.50 (# 1008:10 Single Ambig)
&rst
ixpk= 1008, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 916, 917, 946, 947, 946, 947,
&end
#
# 0 AMB 10-2:1009 65 VAL HN 5.50 (# 1009:10 Single Ambig)
&rst
ixpk= 1009, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 973, 974, 973, 974,
&end
#
# 65 VAL MGX 65 VAL HN 2.80 (# 1010:10 Unique 2.03, 3.56 A)
&rst
ixpk= 1010, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1006,1007,1008,1010,1011,1012,
&end
#
# 105 VAL MGX 65 VAL HN 3.50 (# 1011:10 Unique 2.91, 5.22 A)
&rst
ixpk= 1011, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 10-2:1012 65 VAL HN 5.50 (# 1012:10 Single Ambig)
&rst
ixpk= 1012, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 103 GLN HN 66 ARG HN 4.50 (# 1014:10 Unique 2.16, 2.69 A)
&rst
ixpk= 1014, nxpk= 10, iat=1698,1016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 VAL HN 66 ARG HN 5.50 (# 1015:10 Unique 4.27, 4.71 A)
&rst
ixpk= 1015, nxpk= 10, iat=1734,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL HN 66 ARG HN 5.50 (# 1016:10 Unique 4.34, 4.39 A)
&rst
ixpk= 1016, nxpk= 10, iat=1000,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL HA 66 ARG HN 4.50 (# 1017:10 Unique 2.41, 2.60 A)
&rst
ixpk= 1017, nxpk= 10, iat=1002,1016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 LEU HA 66 ARG HN 5.50 (# 1018:10 Unique 3.23, 3.72 A)
&rst
ixpk= 1018, nxpk= 10, iat=1681,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HA 66 ARG HN 5.50 (# 1019:10 Unique 4.42, 4.95 A)
&rst
ixpk= 1019, nxpk= 10, iat=1700,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ARG HA 66 ARG HN 4.50 (# 1021:10 Unique 2.88, 2.90 A)
&rst
ixpk= 1021, nxpk= 10, iat=1018,1016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LEU HA 66 ARG HN 5.50 (# 1022:10 Unique 4.73, 4.98 A)
&rst
ixpk= 1022, nxpk= 10, iat=1717,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL HB 66 ARG HN 4.50 (# 1023:10 Unique 1.86, 2.01 A)
&rst
ixpk= 1023, nxpk= 10, iat=1004,1016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 GLN HB+ 66 ARG HN 5.50 (# 1024:10 Unique 3.24, 4.35 A)
&rst
ixpk= 1024, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1702,1703,
&end
#
# 102 LEU HG 66 ARG HN 5.50 (# 1025:10 Unique 2.01, 4.32 A)
&rst
ixpk= 1025, nxpk= 10, iat=1686,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HG1- 66 ARG HN 4.50 (# 1026:10 Unique 4.22, 5.15 A)
&rst
ixpk= 1026, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1050,1051,
&end
#
# 102 LEU HB- 66 ARG HN 5.50 (# 1027:10 Unique 2.44, 3.86 A)
&rst
ixpk= 1027, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1683,1684,
&end
#
# 0 AMB 10-2:1028 66 ARG HN 2.80 (# 1028:10 Single Ambig)
&rst
ixpk= 1028, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1006,1007,1008,1010,1011,1012,1006,1007,1008,1010,
1011,1012,1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 10-2:1029 66 ARG HN 2.80 (# 1029:10 Single Ambig)
&rst
ixpk= 1029, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1740,1741,1742,1744,1745,1746, 227, 228, 229,1068,
1069,1070,1072,1073,1074,
&end
#
# 68 LEU HN 67 ILE HN 5.50 (# 1030:10 Unique 4.21, 4.32 A)
&rst
ixpk= 1030, nxpk= 10, iat=1059,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ARG HN 67 ILE HN 5.50 (# 1031:10 Unique 3.80, 4.06 A)
&rst
ixpk= 1031, nxpk= 10, iat=1016,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ARG HE 67 ILE HN 5.50 (# 1033:10 Unique 1.95, 2.66 A)
&rst
ixpk= 1033, nxpk= 10, iat=1029,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HE 67 ILE HN 5.50 (# 1034:10 Unique 4.68, 6.50 A)
&rst
ixpk= 1034, nxpk= 10, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 775, 780,
&end
#
# 102 LEU HA 67 ILE HN 5.50 (# 1035:10 Unique 4.44, 4.78 A)
&rst
ixpk= 1035, nxpk= 10, iat=1681,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ARG HA 67 ILE HN 2.80 (# 1036:10 Unique 2.14, 2.16 A)
&rst
ixpk= 1036, nxpk= 10, iat=1018,1040, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 ILE HA 67 ILE HN 5.50 (# 1038:10 Unique 2.81, 2.88 A)
&rst
ixpk= 1038, nxpk= 10, iat=1042,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1039 67 ILE HN 5.50 (# 1039:10 Single Ambig)
&rst
ixpk= 1039, nxpk= 10, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1026,1027,1026,1027,
&end
#
# 65 VAL HB 67 ILE HN 5.50 (# 1041:10 Unique 4.63, 5.22 A)
&rst
ixpk= 1041, nxpk= 10, iat=1004,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HB 67 ILE HN 2.80 (# 1042:10 Unique 2.58, 2.71 A)
&rst
ixpk= 1042, nxpk= 10, iat=1044,1040, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 ARG HG- 67 ILE HN 5.50 (# 1043:10 Unique 2.92, 3.99 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1023,1024,
&end
#
# 67 ILE HG1- 67 ILE HN 2.80 (# 1044:10 Unique 1.83, 2.71 A)
&rst
ixpk= 1044, nxpk= 10, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1050,1051,
&end
#
# 0 AMB 10-2:1047 67 ILE HN 3.50 (# 1047:10 Single Ambig)
&rst
ixpk= 1047, nxpk= 10, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1068,1069,1070,1072,1073,1074,1046,1047,1048,
&end
#
# 0 AMB 10-2:1048 67 ILE HN 3.50 (# 1048:10 Single Ambig)
&rst
ixpk= 1048, nxpk= 10, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1688,1689,1690,1692,1693,1694,1068,1069,1070,1072,
1073,1074,
&end
#
# 0 AMB 10-2:1050 68 LEU HN 5.50 (# 1050:10 Single Ambig)
&rst
ixpk= 1050, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 759, 760, 761, 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 10-2:1051 68 LEU HN 3.50 (# 1051:10 Single Ambig)
&rst
ixpk= 1051, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1068,1069,1070,1072,1073,1074,1046,1047,1048,
&end
#
# 68 LEU MDY 68 LEU HN 3.50 (# 1052:10 Unique 1.79, 4.93 A)
&rst
ixpk= 1052, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1068,1069,1070,1072,1073,1074,
&end
#
# 68 LEU HB- 68 LEU HN 5.50 (# 1053:10 Unique 2.17, 2.86 A)
&rst
ixpk= 1053, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 68 LEU HB+ 68 LEU HN 4.50 (# 1054:10 Unique 2.17, 2.86 A)
&rst
ixpk= 1054, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1063,1064,
&end
#
# 66 ARG HG+ 68 LEU HN 4.50 (# 1055:10 Unique 3.58, 4.71 A)
&rst
ixpk= 1055, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1023,1024,
&end
#
# 0 AMB 10-2:1056 68 LEU HN 5.50 (# 1056:10 Single Ambig)
&rst
ixpk= 1056, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1050,1051,1020,1021,
&end
#
# 67 ILE HB 68 LEU HN 5.50 (# 1057:10 Unique 4.13, 4.26 A)
&rst
ixpk= 1057, nxpk= 10, iat=1044,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HA 68 LEU HN 5.50 (# 1058:10 Unique 2.14, 2.17 A)
&rst
ixpk= 1058, nxpk= 10, iat=1042,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU HA 68 LEU HN 5.50 (# 1059:10 Unique 2.92, 2.93 A)
&rst
ixpk= 1059, nxpk= 10, iat=1061,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 ALA HA 68 LEU HN 5.50 (# 1060:10 Unique 4.60, 4.77 A)
&rst
ixpk= 1060, nxpk= 10, iat=1080,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LEU HA 68 LEU HN 5.50 (# 1062:10 Unique 2.63, 3.04 A)
&rst
ixpk= 1062, nxpk= 10, iat=1681,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HE2- 68 LEU HN 5.50 (# 1063:10 Unique 4.67, 5.95 A)
&rst
ixpk= 1063, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1710,1711,
&end
#
# 69 ALA HN 68 LEU HN 4.50 (# 1064:10 Unique 1.84, 2.09 A)
&rst
ixpk= 1064, nxpk= 10, iat=1078,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1065 68 LEU HN 5.50 (# 1065:10 Single Ambig)
&rst
ixpk= 1065, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1698,1040,
&end
#
# 102 LEU HN 69 ALA HN 5.50 (# 1066:10 Unique 5.08, 5.36 A)
&rst
ixpk= 1066, nxpk= 10, iat=1679,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU HN 69 ALA HN 4.50 (# 1067:10 Unique 1.84, 2.09 A)
&rst
ixpk= 1067, nxpk= 10, iat=1059,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 LEU HN 69 ALA HN 5.50 (# 1069:10 Unique 3.07, 3.71 A)
&rst
ixpk= 1069, nxpk= 10, iat=1660,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 SER HN 69 ALA HN 5.50 (# 1070:10 Unique 4.32, 4.41 A)
&rst
ixpk= 1070, nxpk= 10, iat=1088,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LEU HA 69 ALA HN 5.50 (# 1073:10 Unique 3.72, 4.34 A)
&rst
ixpk= 1073, nxpk= 10, iat=1681,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU HA 69 ALA HN 5.50 (# 1075:10 Unique 4.50, 4.93 A)
&rst
ixpk= 1075, nxpk= 10, iat=1662,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 ALA HA 69 ALA HN 4.50 (# 1076:10 Unique 2.88, 2.92 A)
&rst
ixpk= 1076, nxpk= 10, iat=1080,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 LEU HA 69 ALA HN 5.50 (# 1077:10 Unique 3.37, 3.48 A)
&rst
ixpk= 1077, nxpk= 10, iat=1061,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HA 69 ALA HN 4.50 (# 1078:10 Unique 3.37, 3.60 A)
&rst
ixpk= 1078, nxpk= 10, iat=1042,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 SER HB+ 69 ALA HN 5.50 (# 1079:10 Unique 4.66, 5.79 A)
&rst
ixpk= 1079, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1092,1093,
&end
#
# 0 AMB 10-2:1080 69 ALA HN 5.50 (# 1080:10 Single Ambig)
&rst
ixpk= 1080, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1705,1706,1705,1706,
&end
#
# 67 ILE HB 69 ALA HN 5.50 (# 1081:10 Unique 4.62, 5.19 A)
&rst
ixpk= 1081, nxpk= 10, iat=1044,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1082 69 ALA HN 5.50 (# 1082:10 Single Ambig)
&rst
ixpk= 1082, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1050,1051,1020,1021,
&end
#
# 68 LEU HB- 69 ALA HN 5.50 (# 1084:10 Unique 2.84, 3.26 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 0 AMB 10-2:1085 69 ALA HN 3.50 (# 1085:10 Single Ambig)
&rst
ixpk= 1085, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1664,1665,1068,1069,1070,1072,1073,1074,1046,1047,
1048,
&end
#
# 0 AMB 10-2:1086 69 ALA HN 3.50 (# 1086:10 Single Ambig)
&rst
ixpk= 1086, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1082,1083,1084,1063,1064,
&end
#
# 101 LEU MDY 69 ALA HN 4.50 (# 1087:10 Unique 2.75, 5.28 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1669,1670,1671,1673,1674,1675,
&end
#
# 102 LEU MDY 69 ALA HN 5.50 (# 1088:10 Unique 3.77, 6.71 A)
&rst
ixpk= 1088, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1688,1689,1690,1692,1693,1694,
&end
#
# 0 AMB 10-2:1089 69 ALA HN 4.50 (# 1089:10 Single Ambig)
&rst
ixpk= 1089, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1688,1689,1690,1692,1693,1694,1050,1051,
&end
#
# 101 LEU HB- 69 ALA HN 5.50 (# 1090:10 Unique 1.94, 3.40 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1665,
&end
#
# 71 THR HN 70 SER HN 5.50 (# 1092:10 Unique 4.13, 4.25 A)
&rst
ixpk= 1092, nxpk= 10, iat=1099,1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU HN 70 SER HN 5.50 (# 1093:10 Unique 3.98, 4.33 A)
&rst
ixpk= 1093, nxpk= 10, iat=1660,1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 ALA HN 70 SER HN 5.50 (# 1094:10 Unique 4.32, 4.41 A)
&rst
ixpk= 1094, nxpk= 10, iat=1078,1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 SER HA 70 SER HN 4.50 (# 1097:10 Unique 2.88, 2.89 A)
&rst
ixpk= 1097, nxpk= 10, iat=1090,1088, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 ALA HA 70 SER HN 2.80 (# 1099:10 Unique 2.24, 2.43 A)
&rst
ixpk= 1099, nxpk= 10, iat=1080,1088, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 70 SER HB+ 70 SER HN 5.50 (# 1100:10 Unique 2.98, 3.67 A)
&rst
ixpk= 1100, nxpk= 10, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1092,1093,
&end
#
# 70 SER HB- 70 SER HN 5.50 (# 1101:10 Unique 2.98, 3.67 A)
&rst
ixpk= 1101, nxpk= 10, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1092,1093,
&end
#
# 69 ALA MB 70 SER HN 2.80 (# 1102:10 Unique 1.95, 3.24 A)
&rst
ixpk= 1102, nxpk= 10, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1082,1083,1084,
&end
#
# 0 AMB 10-2:1103 70 SER HN 4.50 (# 1103:10 Single Ambig)
&rst
ixpk= 1103, nxpk= 10, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1664,1665,2549,2550,2551,2553,2554,2555,1068,1069,
1070,1072,1073,1074,
&end
#
# 0 AMB 10-2:1104 70 SER HN 5.50 (# 1104:10 Single Ambig)
&rst
ixpk= 1104, nxpk= 10, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=2549,2550,2551,2553,2554,2555,1688,1689,1690,1692,
1693,1694,1604,1605,
&end
#
# 0 AMB 10-2:1105 70 SER HN 5.50 (# 1105:10 Single Ambig)
&rst
ixpk= 1105, nxpk= 10, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1669,1670,1671,1673,1674,1675,1601,1602,
&end
#
# 0 AMB 10-2:1106 70 SER HN 5.50 (# 1106:10 Single Ambig)
&rst
ixpk= 1106, nxpk= 10, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1669,1670,1671,1673,1674,1675,1601,1602,
&end
#
# 72 ARG HN 71 THR HN 5.50 (# 1107:10 Unique 4.44, 4.59 A)
&rst
ixpk= 1107, nxpk= 10, iat=1113,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU HN 71 THR HN 5.50 (# 1108:10 Unique 3.94, 4.36 A)
&rst
ixpk= 1108, nxpk= 10, iat=1660,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 SER HN 71 THR HN 5.50 (# 1109:10 Unique 4.13, 4.25 A)
&rst
ixpk= 1109, nxpk= 10, iat=1088,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HN 71 THR HN 5.50 (# 1110:10 Unique 3.92, 4.61 A)
&rst
ixpk= 1110, nxpk= 10, iat=1616,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 SER HA 71 THR HN 3.50 (# 1114:10 Unique 2.15, 2.23 A)
&rst
ixpk= 1114, nxpk= 10, iat=1090,1099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 THR HB 71 THR HN 5.50 (# 1116:10 Unique 2.43, 3.11 A)
&rst
ixpk= 1116, nxpk= 10, iat=1103,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 THR HA 71 THR HN 4.50 (# 1117:10 Unique 2.74, 2.78 A)
&rst
ixpk= 1117, nxpk= 10, iat=1101,1099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 SER HB+ 71 THR HN 4.50 (# 1118:10 Unique 2.30, 3.48 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1092,1093,
&end
#
# 70 SER HB- 71 THR HN 4.50 (# 1119:10 Unique 2.30, 3.48 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1092,1093,
&end
#
# 99 TRP HB- 71 THR HN 5.50 (# 1120:10 Unique 3.60, 5.04 A)
&rst
ixpk= 1120, nxpk= 10, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1620,1621,
&end
#
# 0 AMB 10-2:1121 71 THR HN 5.50 (# 1121:10 Single Ambig)
&rst
ixpk= 1121, nxpk= 10, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1644,1645,1644,1645,
&end
#
# 0 AMB 10-2:1122 71 THR HN 5.50 (# 1122:10 Single Ambig)
&rst
ixpk= 1122, nxpk= 10, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1179,1180,1117,1118,1117,1118,
&end
#
# 69 ALA MB 71 THR HN 5.50 (# 1123:10 Unique 5.03, 6.36 A)
&rst
ixpk= 1123, nxpk= 10, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1082,1083,1084,
&end
#
# 0 AMB 10-2:1124 71 THR HN 5.50 (# 1124:10 Single Ambig)
&rst
ixpk= 1124, nxpk= 10, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 759, 760, 761, 204, 205, 206, 208, 209, 210,
&end
#
# 71 THR HN 72 ARG HN 5.50 (# 1125:10 Unique 4.44, 4.59 A)
&rst
ixpk= 1125, nxpk= 10, iat=1099,1113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ASN HN 72 ARG HN 4.50 (# 1126:10 Unique 2.01, 2.66 A)
&rst
ixpk= 1126, nxpk= 10, iat=1137,1113, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ASN HD2+ 72 ARG HN 5.50 (# 1128:10 Unique 4.01, 5.18 A)
&rst
ixpk= 1128, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1146,1147,
&end
#
# 73 ASN HA 72 ARG HN 5.50 (# 1130:10 Unique 4.53, 5.15 A)
&rst
ixpk= 1130, nxpk= 10, iat=1139,1113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 THR HB 72 ARG HN 4.50 (# 1132:10 Unique 2.27, 3.32 A)
&rst
ixpk= 1132, nxpk= 10, iat=1103,1113, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 THR HA 72 ARG HN 3.50 (# 1133:10 Unique 2.15, 2.30 A)
&rst
ixpk= 1133, nxpk= 10, iat=1101,1113, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 ARG HA 72 ARG HN 3.50 (# 1134:10 Unique 2.74, 2.80 A)
&rst
ixpk= 1134, nxpk= 10, iat=1115,1113, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1135 72 ARG HN 5.50 (# 1135:10 Single Ambig)
&rst
ixpk= 1135, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1123,1124,1123,1124,
&end
#
# 0 AMB 10-2:1136 72 ARG HN 5.50 (# 1136:10 Single Ambig)
&rst
ixpk= 1136, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1141,1142,1620,1621,
&end
#
# 0 AMB 10-2:1137 72 ARG HN 5.50 (# 1137:10 Single Ambig)
&rst
ixpk= 1137, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1141,1142,1644,1645,
&end
#
# 0 AMB 10-2:1138 72 ARG HN 2.80 (# 1138:10 Single Ambig)
&rst
ixpk= 1138, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1117,1118,1117,1118,
&end
#
# 0 AMB 10-2:1139 72 ARG HN 3.50 (# 1139:10 Single Ambig)
&rst
ixpk= 1139, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1120,1121,1120,1121,
&end
#
# 71 THR MG2 72 ARG HN 4.50 (# 1140:10 Unique 2.00, 4.04 A)
&rst
ixpk= 1140, nxpk= 10, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1105,1106,1107,
&end
#
# 72 ARG HN 73 ASN HN 3.50 (# 1141:10 Unique 2.01, 2.66 A)
&rst
ixpk= 1141, nxpk= 10, iat=1113,1137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ASN HD2+ 73 ASN HN 5.50 (# 1142:10 Unique 2.36, 3.52 A)
&rst
ixpk= 1142, nxpk= 10, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1146,1147,
&end
#
# 73 ASN HD2- 73 ASN HN 5.50 (# 1144:10 Unique 2.36, 3.52 A)
&rst
ixpk= 1144, nxpk= 10, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1146,1147,
&end
#
# 73 ASN HA 73 ASN HN 2.80 (# 1145:10 Unique 2.79, 2.86 A)
&rst
ixpk= 1145, nxpk= 10, iat=1139,1137, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 THR HB 73 ASN HN 4.50 (# 1147:10 Unique 2.32, 3.27 A)
&rst
ixpk= 1147, nxpk= 10, iat=1103,1137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 THR HA 73 ASN HN 4.50 (# 1148:10 Unique 3.68, 4.15 A)
&rst
ixpk= 1148, nxpk= 10, iat=1101,1137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 ARG HA 73 ASN HN 3.50 (# 1149:10 Unique 3.46, 3.52 A)
&rst
ixpk= 1149, nxpk= 10, iat=1115,1137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1150 73 ASN HN 5.50 (# 1150:10 Single Ambig)
&rst
ixpk= 1150, nxpk= 10, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1123,1124,1123,1124,
&end
#
# 73 ASN HB+ 73 ASN HN 3.50 (# 1151:10 Unique 2.98, 3.69 A)
&rst
ixpk= 1151, nxpk= 10, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1141,1142,
&end
#
# 73 ASN HB- 73 ASN HN 3.50 (# 1152:10 Unique 2.98, 3.69 A)
&rst
ixpk= 1152, nxpk= 10, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1141,1142,
&end
#
# 0 AMB 10-2:1153 73 ASN HN 3.50 (# 1153:10 Single Ambig)
&rst
ixpk= 1153, nxpk= 10, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1117,1118,1117,1118,
&end
#
# 72 ARG HG- 73 ASN HN 4.50 (# 1154:10 Unique 2.28, 4.78 A)
&rst
ixpk= 1154, nxpk= 10, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1120,1121,
&end
#
# 75 LEU MDX 73 ASN HN 4.50 (# 1155:10 Unique 3.24, 5.98 A)
&rst
ixpk= 1155, nxpk= 10, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 71 THR MG2 73 ASN HN 4.50 (# 1156:10 Unique 1.95, 4.17 A)
&rst
ixpk= 1156, nxpk= 10, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1105,1106,1107,
&end
#
# 74 TRP HE1 74 TRP HN 5.50 (# 1157:10 Unique 4.21, 4.64 A)
&rst
ixpk= 1157, nxpk= 10, iat=1161,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HN 74 TRP HN 5.50 (# 1158:10 Unique 4.12, 4.42 A)
&rst
ixpk= 1158, nxpk= 10, iat=1175,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1159 0 AMB 10-1:1159 5.50 (# 1159:10 Double Ambig)
&rst
ixpk= 1159, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1146,1147,2408,
igr2=1151,2363,
&end
#
# 74 TRP HD1 74 TRP HN 3.50 (# 1160:10 Unique 1.97, 2.52 A)
&rst
ixpk= 1160, nxpk= 10, iat=1159,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ASN HD2- 74 TRP HN 5.50 (# 1161:10 Unique 3.31, 4.87 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1146,1147,
&end
#
# 73 ASN HA 74 TRP HN 2.80 (# 1162:10 Unique 2.39, 2.71 A)
&rst
ixpk= 1162, nxpk= 10, iat=1139,1151, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1163 74 TRP HN 4.50 (# 1163:10 Single Ambig)
&rst
ixpk= 1163, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1153,1103,
&end
#
# 73 ASN HB+ 74 TRP HN 4.50 (# 1164:10 Unique 1.95, 2.91 A)
&rst
ixpk= 1164, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1141,1142,
&end
#
# 74 TRP HB+ 74 TRP HN 3.50 (# 1165:10 Unique 2.40, 3.14 A)
&rst
ixpk= 1165, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1155,1156,
&end
#
# 73 ASN HB- 74 TRP HN 3.50 (# 1166:10 Unique 1.95, 2.91 A)
&rst
ixpk= 1166, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1141,1142,
&end
#
# 0 AMB 10-2:1167 0 AMB 10-1:1167 5.50 (# 1167:10 Double Ambig)
&rst
ixpk= 1167, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=1151,2363,
&end
#
# 0 AMB 10-2:1168 0 AMB 10-1:1168 5.50 (# 1168:10 Double Ambig)
&rst
ixpk= 1168, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2315,2316,1182,1568,1569,
igr2=2363,1151,
&end
#
# 97 GLN HN 75 LEU HN 5.50 (# 1169:10 Unique 2.79, 3.46 A)
&rst
ixpk= 1169, nxpk= 10, iat=1577,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HN 75 LEU HN 5.50 (# 1171:10 Unique 4.25, 4.48 A)
&rst
ixpk= 1171, nxpk= 10, iat=1194,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1172 75 LEU HN 5.50 (# 1172:10 Single Ambig)
&rst
ixpk= 1172, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1151,1137,
&end
#
# 99 TRP HD1 75 LEU HN 5.50 (# 1174:10 Unique 2.92, 3.76 A)
&rst
ixpk= 1174, nxpk= 10, iat=1624,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS HA 75 LEU HN 5.50 (# 1175:10 Unique 3.91, 4.70 A)
&rst
ixpk= 1175, nxpk= 10, iat=1557,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HA 75 LEU HN 3.50 (# 1177:10 Unique 2.14, 2.22 A)
&rst
ixpk= 1177, nxpk= 10, iat=1153,1175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 LYS HA 75 LEU HN 5.50 (# 1178:10 Unique 2.90, 3.33 A)
&rst
ixpk= 1178, nxpk= 10, iat=1596,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HB- 75 LEU HN 5.50 (# 1179:10 Unique 2.37, 3.74 A)
&rst
ixpk= 1179, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155,1156,
&end
#
# 74 TRP HB+ 75 LEU HN 4.50 (# 1180:10 Unique 2.37, 3.74 A)
&rst
ixpk= 1180, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1155,1156,
&end
#
# 0 AMB 10-2:1181 75 LEU HN 5.50 (# 1181:10 Single Ambig)
&rst
ixpk= 1181, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1581,1582,1204,1205,
&end
#
# 75 LEU HB+ 75 LEU HN 3.50 (# 1182:10 Unique 2.06, 2.86 A)
&rst
ixpk= 1182, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1179,1180,
&end
#
# 75 LEU HB- 75 LEU HN 3.50 (# 1183:10 Unique 2.06, 2.86 A)
&rst
ixpk= 1183, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1179,1180,
&end
#
# 0 AMB 10-2:1184 75 LEU HN 5.50 (# 1184:10 Single Ambig)
&rst
ixpk= 1184, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1198,1199,1559,1560,
&end
#
# 0 AMB 10-2:1185 75 LEU HN 5.50 (# 1185:10 Single Ambig)
&rst
ixpk= 1185, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1598,1599,2353,2354,2355,2357,2358,2359,2353,2354,
2355,2357,2358,2359,
&end
#
# 0 AMB 10-2:1186 75 LEU HN 3.50 (# 1186:10 Single Ambig)
&rst
ixpk= 1186, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 97 GLN HN 76 ARG HN 5.50 (# 1187:10 Unique 5.08, 5.39 A)
&rst
ixpk= 1187, nxpk= 10, iat=1577,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HN 76 ARG HN 5.50 (# 1188:10 Unique 4.25, 4.48 A)
&rst
ixpk= 1188, nxpk= 10, iat=1175,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HA 76 ARG HN 4.50 (# 1192:10 Unique 2.90, 2.92 A)
&rst
ixpk= 1192, nxpk= 10, iat=1196,1194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 TYR HA 76 ARG HN 5.50 (# 1194:10 Unique 4.74, 4.92 A)
&rst
ixpk= 1194, nxpk= 10, iat=1220,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HD+ 76 ARG HN 5.50 (# 1196:10 Unique 1.85, 3.15 A)
&rst
ixpk= 1196, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 76 ARG HD- 76 ARG HN 5.50 (# 1197:10 Unique 1.85, 3.15 A)
&rst
ixpk= 1197, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 0 AMB 10-2:1198 76 ARG HN 5.50 (# 1198:10 Single Ambig)
&rst
ixpk= 1198, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2412,2413,2412,2413,2415,2416,
&end
#
# 76 ARG HB+ 76 ARG HN 4.50 (# 1200:10 Unique 2.44, 3.53 A)
&rst
ixpk= 1200, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1198,1199,
&end
#
# 76 ARG HB- 76 ARG HN 3.50 (# 1201:10 Unique 2.44, 3.53 A)
&rst
ixpk= 1201, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1198,1199,
&end
#
# 0 AMB 10-2:1202 76 ARG HN 5.50 (# 1202:10 Single Ambig)
&rst
ixpk= 1202, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 0 AMB 10-2:1203 76 ARG HN 3.50 (# 1203:10 Single Ambig)
&rst
ixpk= 1203, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 78 LYS HN 77 TYR HN 5.50 (# 1205:10 Unique 4.35, 4.36 A)
&rst
ixpk= 1205, nxpk= 10, iat=1239,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 GLN HN 77 TYR HN 5.50 (# 1206:10 Unique 2.26, 2.52 A)
&rst
ixpk= 1206, nxpk= 10, iat=1538,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 TYR HD 77 TYR HN 5.50 (# 1207:10 Unique 2.42, 3.79 A)
&rst
ixpk= 1207, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1226,1235,
&end
#
# 7 TYR HD 77 TYR HN 5.50 (# 1209:10 Unique 4.38, 5.31 A)
&rst
ixpk= 1209, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 91, 100,
&end
#
# 7 TYR HE 77 TYR HN 5.50 (# 1210:10 Unique 3.67, 4.72 A)
&rst
ixpk= 1210, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 93, 98,
&end
#
# 96 LYS HA 77 TYR HN 5.50 (# 1211:10 Unique 4.83, 5.19 A)
&rst
ixpk= 1211, nxpk= 10, iat=1557,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HA 77 TYR HN 3.50 (# 1212:10 Unique 2.34, 2.48 A)
&rst
ixpk= 1212, nxpk= 10, iat=1196,1218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 TYR HA 77 TYR HN 4.50 (# 1213:10 Unique 2.85, 2.86 A)
&rst
ixpk= 1213, nxpk= 10, iat=1220,1218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 TYR HB+ 77 TYR HN 5.50 (# 1215:10 Unique 3.55, 3.78 A)
&rst
ixpk= 1215, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1222,1223,
&end
#
# 77 TYR HB- 77 TYR HN 5.50 (# 1216:10 Unique 3.55, 3.78 A)
&rst
ixpk= 1216, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1222,1223,
&end
#
# 76 ARG HD- 77 TYR HN 5.50 (# 1217:10 Unique 2.60, 5.02 A)
&rst
ixpk= 1217, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 0 AMB 10-2:1218 77 TYR HN 5.50 (# 1218:10 Single Ambig)
&rst
ixpk= 1218, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1542,1543,1243,1244,1179,1180,
&end
#
# 0 AMB 10-2:1219 77 TYR HN 5.50 (# 1219:10 Single Ambig)
&rst
ixpk= 1219, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1249,1250,1249,1250,1243,1244,
&end
#
# 76 ARG HB+ 77 TYR HN 5.50 (# 1220:10 Unique 2.19, 2.92 A)
&rst
ixpk= 1220, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1198,1199,
&end
#
# 76 ARG HB- 77 TYR HN 4.50 (# 1221:10 Unique 2.19, 2.92 A)
&rst
ixpk= 1221, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1198,1199,
&end
#
# 76 ARG HG- 77 TYR HN 5.50 (# 1223:10 Unique 1.89, 4.43 A)
&rst
ixpk= 1223, nxpk= 10, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1201,1202,
&end
#
# 79 LEU HN 78 LYS HN 5.50 (# 1224:10 Unique 4.07, 4.30 A)
&rst
ixpk= 1224, nxpk= 10, iat=1261,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 TYR HD 78 LYS HN 5.50 (# 1225:10 Unique 3.09, 4.33 A)
&rst
ixpk= 1225, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1226,1235,
&end
#
# 77 TYR HE 78 LYS HN 5.50 (# 1226:10 Unique 5.41, 6.44 A)
&rst
ixpk= 1226, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1228,1233,
&end
#
# 7 TYR HE 78 LYS HN 5.50 (# 1227:10 Unique 4.69, 6.90 A)
&rst
ixpk= 1227, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 93, 98,
&end
#
# 77 TYR HA 78 LYS HN 3.50 (# 1229:10 Unique 2.50, 2.62 A)
&rst
ixpk= 1229, nxpk= 10, iat=1220,1239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 LYS HA 78 LYS HN 5.50 (# 1230:10 Unique 2.91, 2.94 A)
&rst
ixpk= 1230, nxpk= 10, iat=1241,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLY HA+ 78 LYS HN 5.50 (# 1231:10 Unique 4.72, 5.22 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1533,1534,
&end
#
# 77 TYR HB+ 78 LYS HN 4.50 (# 1232:10 Unique 1.92, 2.68 A)
&rst
ixpk= 1232, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1222,1223,
&end
#
# 77 TYR HB- 78 LYS HN 4.50 (# 1234:10 Unique 1.92, 2.68 A)
&rst
ixpk= 1234, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1222,1223,
&end
#
# 78 LYS HB+ 78 LYS HN 4.50 (# 1235:10 Unique 2.18, 2.85 A)
&rst
ixpk= 1235, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1243,1244,
&end
#
# 78 LYS HG+ 78 LYS HN 4.50 (# 1236:10 Unique 3.51, 4.36 A)
&rst
ixpk= 1236, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1246,1247,
&end
#
# 0 AMB 10-2:1237 78 LYS HN 3.50 (# 1237:10 Single Ambig)
&rst
ixpk= 1237, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1243,1244,1249,1250,1249,1250,
&end
#
# 78 LYS HG- 78 LYS HN 5.50 (# 1238:10 Unique 3.51, 4.36 A)
&rst
ixpk= 1238, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1246,1247,
&end
#
# 0 AMB 10-2:1239 78 LYS HN 5.50 (# 1239:10 Single Ambig)
&rst
ixpk= 1239, nxpk= 10, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,1265,1266,
&end
#
# 77 TYR HN 78 LYS HN 5.50 (# 1240:10 Unique 4.35, 4.36 A)
&rst
ixpk= 1240, nxpk= 10, iat=1218,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 LYS HN 79 LEU HN 5.50 (# 1241:10 Unique 4.07, 4.30 A)
&rst
ixpk= 1241, nxpk= 10, iat=1239,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 GLN HN 79 LEU HN 5.50 (# 1242:10 Unique 4.77, 5.29 A)
&rst
ixpk= 1242, nxpk= 10, iat=1538,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLY HN 79 LEU HN 5.50 (# 1243:10 Unique 4.07, 4.59 A)
&rst
ixpk= 1243, nxpk= 10, iat=1531,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 TYR HE 79 LEU HN 5.50 (# 1245:10 Unique 4.24, 6.68 A)
&rst
ixpk= 1245, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1228,1233,
&end
#
# 7 TYR HE 79 LEU HN 5.50 (# 1247:10 Unique 4.20, 7.16 A)
&rst
ixpk= 1247, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 93, 98,
&end
#
# 78 LYS HA 79 LEU HN 3.50 (# 1249:10 Unique 2.14, 2.16 A)
&rst
ixpk= 1249, nxpk= 10, iat=1241,1261, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 GLY HA+ 79 LEU HN 4.50 (# 1250:10 Unique 2.34, 3.37 A)
&rst
ixpk= 1250, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1533,1534,
&end
#
# 94 GLY HA- 79 LEU HN 4.50 (# 1252:10 Unique 2.34, 3.37 A)
&rst
ixpk= 1252, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1533,1534,
&end
#
# 0 AMB 10-2:1253 79 LEU HN 5.50 (# 1253:10 Single Ambig)
&rst
ixpk= 1253, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1252,1253,1252,1253,1281,1282,
&end
#
# 80 PRO HD+ 79 LEU HN 5.50 (# 1254:10 Unique 4.66, 4.88 A)
&rst
ixpk= 1254, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1281,1282,
&end
#
# 78 LYS HB+ 79 LEU HN 4.50 (# 1255:10 Unique 3.38, 4.13 A)
&rst
ixpk= 1255, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1243,1244,
&end
#
# 78 LYS HG+ 79 LEU HN 4.50 (# 1256:10 Unique 3.04, 4.48 A)
&rst
ixpk= 1256, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1246,1247,
&end
#
# 0 AMB 10-2:1257 79 LEU HN 3.50 (# 1257:10 Single Ambig)
&rst
ixpk= 1257, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1249,1250,1249,1250,
&end
#
# 78 LYS HG- 79 LEU HN 4.50 (# 1258:10 Unique 3.04, 4.48 A)
&rst
ixpk= 1258, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1246,1247,
&end
#
# 79 LEU HG 79 LEU HN 3.50 (# 1259:10 Unique 1.80, 2.29 A)
&rst
ixpk= 1259, nxpk= 10, iat=1268,1261, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 LEU MDY 79 LEU HN 3.50 (# 1261:10 Unique 1.94, 3.92 A)
&rst
ixpk= 1261, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 10-2:1262 79 LEU HN 5.50 (# 1262:10 Single Ambig)
&rst
ixpk= 1262, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1525,1526,1527,1522,1523,
&end
#
# 79 LEU MDX 79 LEU HN 3.50 (# 1263:10 Unique 1.94, 3.92 A)
&rst
ixpk= 1263, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 83 LEU HN 81 LYS HN 5.50 (# 1265:10 Unique 3.73, 4.15 A)
&rst
ixpk= 1265, nxpk= 10, iat=1340,1294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 VAL HN 81 LYS HN 5.50 (# 1267:10 Unique 3.99, 4.43 A)
&rst
ixpk= 1267, nxpk= 10, iat=1359,1294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 PRO HA 81 LYS HN 2.80 (# 1268:10 Unique 2.22, 2.87 A)
&rst
ixpk= 1268, nxpk= 10, iat=1290,1294, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 LYS HA 81 LYS HN 3.50 (# 1269:10 Unique 2.27, 2.36 A)
&rst
ixpk= 1269, nxpk= 10, iat=1296,1294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1270 81 LYS HN 5.50 (# 1270:10 Single Ambig)
&rst
ixpk= 1270, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1307,1308,1307,1308,
&end
#
# 80 PRO HB+ 81 LYS HN 4.50 (# 1271:10 Unique 2.64, 4.27 A)
&rst
ixpk= 1271, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1287,1288,
&end
#
# 0 AMB 10-2:1272 81 LYS HN 2.80 (# 1272:10 Single Ambig)
&rst
ixpk= 1272, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1298,1299,1298,1299,
&end
#
# 81 LYS HG- 81 LYS HN 3.50 (# 1273:10 Unique 2.15, 3.58 A)
&rst
ixpk= 1273, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1301,1302,
&end
#
# 81 LYS HG+ 81 LYS HN 3.50 (# 1274:10 Unique 2.15, 3.58 A)
&rst
ixpk= 1274, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1301,1302,
&end
#
# 84 VAL MGX 81 LYS HN 5.50 (# 1276:10 Unique 2.67, 5.36 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 83 LEU HN 82 ARG HN 3.50 (# 1277:10 Unique 1.86, 2.14 A)
&rst
ixpk= 1277, nxpk= 10, iat=1340,1316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 ARG HE 82 ARG HN 5.50 (# 1278:10 Unique 2.28, 3.97 A)
&rst
ixpk= 1278, nxpk= 10, iat=1329,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 VAL HN 82 ARG HN 5.50 (# 1279:10 Unique 2.94, 3.38 A)
&rst
ixpk= 1279, nxpk= 10, iat=1359,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG HA 82 ARG HN 2.80 (# 1280:10 Unique 2.73, 2.90 A)
&rst
ixpk= 1280, nxpk= 10, iat=1318,1316, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 LYS HA 82 ARG HN 4.50 (# 1281:10 Unique 2.79, 3.01 A)
&rst
ixpk= 1281, nxpk= 10, iat=1296,1316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1282 82 ARG HN 4.50 (# 1282:10 Single Ambig)
&rst
ixpk= 1282, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1326,1327,1326,1327,
&end
#
# 0 AMB 10-2:1283 82 ARG HN 5.50 (# 1283:10 Single Ambig)
&rst
ixpk= 1283, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1307,1308,1307,1308,
&end
#
# 80 PRO HB+ 82 ARG HN 5.50 (# 1284:10 Unique 2.18, 4.31 A)
&rst
ixpk= 1284, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1287,1288,
&end
#
# 0 AMB 10-2:1285 82 ARG HN 2.80 (# 1285:10 Single Ambig)
&rst
ixpk= 1285, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1320,1321,1298,1299,
&end
#
# 0 AMB 10-2:1286 82 ARG HN 2.80 (# 1286:10 Single Ambig)
&rst
ixpk= 1286, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1320,1321,1284,1285,
&end
#
# 0 AMB 10-2:1287 82 ARG HN 2.80 (# 1287:10 Single Ambig)
&rst
ixpk= 1287, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1323,1324,1301,1302,
&end
#
# 82 ARG HG- 82 ARG HN 2.80 (# 1288:10 Unique 2.13, 2.98 A)
&rst
ixpk= 1288, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1323,1324,
&end
#
# 0 AMB 10-2:1289 82 ARG HN 5.50 (# 1289:10 Single Ambig)
&rst
ixpk= 1289, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,1349,1350,1351,1353,
1354,1355,
&end
#
# 84 VAL MGX 82 ARG HN 5.50 (# 1290:10 Unique 3.28, 5.97 A)
&rst
ixpk= 1290, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 82 ARG HN 83 LEU HN 3.50 (# 1291:10 Unique 1.86, 2.14 A)
&rst
ixpk= 1291, nxpk= 10, iat=1316,1340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 VAL HN 83 LEU HN 2.80 (# 1292:10 Unique 1.81, 2.04 A)
&rst
ixpk= 1292, nxpk= 10, iat=1359,1340, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 ARG HA 83 LEU HN 3.50 (# 1293:10 Unique 3.32, 3.45 A)
&rst
ixpk= 1293, nxpk= 10, iat=1318,1340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 LEU HA 83 LEU HN 3.50 (# 1294:10 Unique 2.76, 2.93 A)
&rst
ixpk= 1294, nxpk= 10, iat=1342,1340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 LYS HA 83 LEU HN 5.50 (# 1295:10 Unique 3.50, 3.79 A)
&rst
ixpk= 1295, nxpk= 10, iat=1296,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 VAL HA 83 LEU HN 5.50 (# 1296:10 Unique 4.39, 4.66 A)
&rst
ixpk= 1296, nxpk= 10, iat=1361,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1297 83 LEU HN 5.50 (# 1297:10 Single Ambig)
&rst
ixpk= 1297, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1326,1327,1326,1327,
&end
#
# 80 PRO HD- 83 LEU HN 5.50 (# 1298:10 Unique 3.48, 4.92 A)
&rst
ixpk= 1298, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1281,1282,
&end
#
# 0 AMB 10-2:1299 0 AMB 10-1:1299 5.50 (# 1299:10 Double Ambig)
&rst
ixpk= 1299, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1287,1288, 881, 882,
igr2=1340, 585,
&end
#
# 0 AMB 10-2:1300 0 AMB 10-1:1300 4.50 (# 1300:10 Double Ambig)
&rst
ixpk= 1300, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1298,1299,1298,1299,1542,1543,1542,1543,
igr2=1340, 585,
&end
#
# 83 LEU HB+ 83 LEU HN 3.50 (# 1301:10 Unique 2.09, 3.13 A)
&rst
ixpk= 1301, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1344,1345,
&end
#
# 0 AMB 10-2:1302 83 LEU HN 2.80 (# 1302:10 Single Ambig)
&rst
ixpk= 1302, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1323,1324,1344,1345,
&end
#
# 0 AMB 10-2:1303 83 LEU HN 3.50 (# 1303:10 Single Ambig)
&rst
ixpk= 1303, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1270,1271,1272,1274,1275,1276,1349,1350,1351,1353,
1354,1355,1349,1350,1351,1353,1354,1355,
&end
#
# 84 VAL MGX 83 LEU HN 5.50 (# 1304:10 Unique 2.72, 5.35 A)
&rst
ixpk= 1304, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 86 TRP HE1 84 VAL HN 5.50 (# 1305:10 Unique 3.90, 4.21 A)
&rst
ixpk= 1305, nxpk= 10, iat=1409,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG HN 84 VAL HN 4.50 (# 1306:10 Unique 2.94, 3.38 A)
&rst
ixpk= 1306, nxpk= 10, iat=1316,1359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1307 84 VAL HN 4.50 (# 1307:10 Single Ambig)
&rst
ixpk= 1307, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1375,1501,
&end
#
# 83 LEU HN 84 VAL HN 2.80 (# 1308:10 Unique 1.81, 2.04 A)
&rst
ixpk= 1308, nxpk= 10, iat=1340,1359, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 ARG HA 84 VAL HN 4.50 (# 1310:10 Unique 3.97, 4.40 A)
&rst
ixpk= 1310, nxpk= 10, iat=1318,1359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 LEU HA 84 VAL HN 3.50 (# 1311:10 Unique 3.27, 3.42 A)
&rst
ixpk= 1311, nxpk= 10, iat=1342,1359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 LYS HA 84 VAL HN 4.50 (# 1312:10 Unique 2.60, 3.25 A)
&rst
ixpk= 1312, nxpk= 10, iat=1296,1359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 VAL HA 84 VAL HN 3.50 (# 1313:10 Unique 2.75, 2.82 A)
&rst
ixpk= 1313, nxpk= 10, iat=1361,1359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1314 84 VAL HN 5.50 (# 1314:10 Single Ambig)
&rst
ixpk= 1314, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1385,1386,1385,1386,
&end
#
# 0 AMB 10-2:1315 84 VAL HN 5.50 (# 1315:10 Single Ambig)
&rst
ixpk= 1315, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1307,1308,1307,1308,1252,1253,1252,1253,
&end
#
# 0 AMB 10-2:1316 84 VAL HN 5.50 (# 1316:10 Single Ambig)
&rst
ixpk= 1316, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1298,1299,1320,1321,
&end
#
# 0 AMB 10-2:1317 84 VAL HN 3.50 (# 1317:10 Single Ambig)
&rst
ixpk= 1317, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1284,1285,1304,1305,1304,1305,1379,1380,
&end
#
# 84 VAL HB 84 VAL HN 2.80 (# 1318:10 Unique 2.48, 2.65 A)
&rst
ixpk= 1318, nxpk= 10, iat=1363,1359, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 VAL MGY 84 VAL HN 2.80 (# 1321:10 Unique 1.92, 3.70 A)
&rst
ixpk= 1321, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 84 VAL MGX 84 VAL HN 3.50 (# 1322:10 Unique 1.92, 3.70 A)
&rst
ixpk= 1322, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 87 ASP HN 85 ARG HN 5.50 (# 1323:10 Unique 3.96, 4.29 A)
&rst
ixpk= 1323, nxpk= 10, iat=1423,1375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 TRP HN 85 ARG HN 5.50 (# 1324:10 Unique 1.92, 2.41 A)
&rst
ixpk= 1324, nxpk= 10, iat=1399,1375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 TRP HD1 85 ARG HN 5.50 (# 1325:10 Unique 3.45, 4.13 A)
&rst
ixpk= 1325, nxpk= 10, iat=1407,1375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 VAL HN 85 ARG HN 4.50 (# 1326:10 Unique 4.53, 4.60 A)
&rst
ixpk= 1326, nxpk= 10, iat=1359,1375, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 ARG HA 85 ARG HN 3.50 (# 1327:10 Unique 2.90, 2.93 A)
&rst
ixpk= 1327, nxpk= 10, iat=1377,1375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 TRP HA 85 ARG HN 5.50 (# 1328:10 Unique 4.15, 4.44 A)
&rst
ixpk= 1328, nxpk= 10, iat=1401,1375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 VAL HA 85 ARG HN 2.80 (# 1331:10 Unique 2.15, 2.26 A)
&rst
ixpk= 1331, nxpk= 10, iat=1361,1375, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1332 85 ARG HN 5.50 (# 1332:10 Single Ambig)
&rst
ixpk= 1332, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1385,1386,1385,1386,
&end
#
# 85 ARG HB+ 85 ARG HN 3.50 (# 1334:10 Unique 2.55, 3.28 A)
&rst
ixpk= 1334, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1379,1380,
&end
#
# 0 AMB 10-2:1335 85 ARG HN 2.80 (# 1335:10 Single Ambig)
&rst
ixpk= 1335, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1382,1383,1379,1380,
&end
#
# 85 ARG HG- 85 ARG HN 4.50 (# 1336:10 Unique 1.87, 3.09 A)
&rst
ixpk= 1336, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1382,1383,
&end
#
# 84 VAL MGY 85 ARG HN 3.50 (# 1339:10 Unique 1.95, 3.93 A)
&rst
ixpk= 1339, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 84 VAL MGX 85 ARG HN 2.80 (# 1340:10 Unique 1.95, 3.93 A)
&rst
ixpk= 1340, nxpk= 10, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 86 TRP HE1 86 TRP HN 5.50 (# 1341:10 Unique 4.26, 4.85 A)
&rst
ixpk= 1341, nxpk= 10, iat=1409,1399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 ASP HN 86 TRP HN 2.80 (# 1342:10 Unique 2.62, 2.79 A)
&rst
ixpk= 1342, nxpk= 10, iat=1423,1399, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 ARG HN 86 TRP HN 4.50 (# 1343:10 Unique 1.92, 2.41 A)
&rst
ixpk= 1343, nxpk= 10, iat=1375,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 TRP HE3 86 TRP HN 5.50 (# 1345:10 Unique 4.22, 5.20 A)
&rst
ixpk= 1345, nxpk= 10, iat=1418,1399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 TRP HD1 86 TRP HN 3.50 (# 1346:10 Unique 2.10, 3.16 A)
&rst
ixpk= 1346, nxpk= 10, iat=1407,1399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 ARG HA 86 TRP HN 3.50 (# 1349:10 Unique 2.16, 3.28 A)
&rst
ixpk= 1349, nxpk= 10, iat=1377,1399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 TRP HA 86 TRP HN 3.50 (# 1350:10 Unique 2.27, 2.37 A)
&rst
ixpk= 1350, nxpk= 10, iat=1401,1399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1353 86 TRP HN 3.50 (# 1353:10 Single Ambig)
&rst
ixpk= 1353, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1403,1404,1361,
&end
#
# 0 AMB 10-2:1354 86 TRP HN 4.50 (# 1354:10 Single Ambig)
&rst
ixpk= 1354, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1385,1386,1385,1386,
&end
#
# 86 TRP HB- 86 TRP HN 3.50 (# 1355:10 Unique 2.56, 3.71 A)
&rst
ixpk= 1355, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1403,1404,
&end
#
# 87 ASP HB+ 86 TRP HN 5.50 (# 1356:10 Unique 4.06, 5.23 A)
&rst
ixpk= 1356, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1427,1428,
&end
#
# 87 ASP HB- 86 TRP HN 5.50 (# 1357:10 Unique 4.06, 5.23 A)
&rst
ixpk= 1357, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1427,1428,
&end
#
# 85 ARG HB+ 86 TRP HN 4.50 (# 1358:10 Unique 2.93, 3.93 A)
&rst
ixpk= 1358, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1379,1380,
&end
#
# 85 ARG HG+ 86 TRP HN 4.50 (# 1359:10 Unique 1.94, 3.65 A)
&rst
ixpk= 1359, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1382,1383,
&end
#
# 85 ARG HG- 86 TRP HN 4.50 (# 1360:10 Unique 1.94, 3.65 A)
&rst
ixpk= 1360, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1382,1383,
&end
#
# 91 VAL MGY 86 TRP HN 5.50 (# 1361:10 Unique 2.53, 5.36 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 84 VAL MGY 86 TRP HN 5.50 (# 1362:10 Unique 1.89, 4.43 A)
&rst
ixpk= 1362, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 91 VAL MGX 86 TRP HN 5.50 (# 1363:10 Unique 2.53, 5.36 A)
&rst
ixpk= 1363, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 84 VAL MGX 86 TRP HN 4.50 (# 1364:10 Unique 1.89, 4.43 A)
&rst
ixpk= 1364, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 0 AMB 10-2:1366 87 ASP HN 5.50 (# 1366:10 Single Ambig)
&rst
ixpk= 1366, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1375,1501,
&end
#
# 86 TRP HN 87 ASP HN 2.80 (# 1367:10 Unique 2.62, 2.79 A)
&rst
ixpk= 1367, nxpk= 10, iat=1399,1423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 ARG HE 87 ASP HN 5.50 (# 1368:10 Unique 3.96, 5.27 A)
&rst
ixpk= 1368, nxpk= 10, iat=1388,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 TRP HD1 87 ASP HN 5.50 (# 1370:10 Unique 4.98, 5.32 A)
&rst
ixpk= 1370, nxpk= 10, iat=1407,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 THR HN 87 ASP HN 2.80 (# 1371:10 Unique 1.85, 1.97 A)
&rst
ixpk= 1371, nxpk= 10, iat=1435,1423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 87 ASP HA 87 ASP HN 3.50 (# 1373:10 Unique 2.85, 2.92 A)
&rst
ixpk= 1373, nxpk= 10, iat=1425,1423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 TRP HA 87 ASP HN 3.50 (# 1374:10 Unique 2.59, 2.82 A)
&rst
ixpk= 1374, nxpk= 10, iat=1401,1423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 THR HB 87 ASP HN 5.50 (# 1375:10 Unique 3.43, 4.70 A)
&rst
ixpk= 1375, nxpk= 10, iat=1439,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL HA 87 ASP HN 5.50 (# 1376:10 Unique 3.17, 4.17 A)
&rst
ixpk= 1376, nxpk= 10, iat=1487,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 TRP HB+ 87 ASP HN 3.50 (# 1377:10 Unique 3.83, 4.32 A)
&rst
ixpk= 1377, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1403,1404,
&end
#
# 0 AMB 10-2:1378 87 ASP HN 5.50 (# 1378:10 Single Ambig)
&rst
ixpk= 1378, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1385,1386,1385,1386,
&end
#
# 0 AMB 10-2:1379 87 ASP HN 3.50 (# 1379:10 Single Ambig)
&rst
ixpk= 1379, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1403,1404,1462,1463,1462,1463,
&end
#
# 87 ASP HB+ 87 ASP HN 2.80 (# 1380:10 Unique 2.41, 3.11 A)
&rst
ixpk= 1380, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1427,1428,
&end
#
# 87 ASP HB- 87 ASP HN 2.80 (# 1381:10 Unique 2.41, 3.11 A)
&rst
ixpk= 1381, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1427,1428,
&end
#
# 85 ARG HB+ 87 ASP HN 4.50 (# 1382:10 Unique 2.31, 3.90 A)
&rst
ixpk= 1382, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1379,1380,
&end
#
# 0 AMB 10-2:1383 87 ASP HN 3.50 (# 1383:10 Single Ambig)
&rst
ixpk= 1383, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1382,1383,1379,1380,
&end
#
# 85 ARG HG- 87 ASP HN 5.50 (# 1384:10 Unique 1.89, 3.49 A)
&rst
ixpk= 1384, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1382,1383,
&end
#
# 88 THR MG2 87 ASP HN 4.50 (# 1385:10 Unique 2.78, 4.05 A)
&rst
ixpk= 1385, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1441,1442,1443,
&end
#
# 91 VAL MGX 87 ASP HN 5.50 (# 1386:10 Unique 3.12, 6.07 A)
&rst
ixpk= 1386, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 84 VAL MGX 87 ASP HN 5.50 (# 1387:10 Unique 4.43, 6.85 A)
&rst
ixpk= 1387, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 87 ASP HN 88 THR HN 2.80 (# 1388:10 Unique 1.85, 1.97 A)
&rst
ixpk= 1388, nxpk= 10, iat=1423,1435, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1389 88 THR HN 5.50 (# 1389:10 Single Ambig)
&rst
ixpk= 1389, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1501,1485,1375,
&end
#
# 89 LYS HN 88 THR HN 4.50 (# 1390:10 Unique 1.96, 2.46 A)
&rst
ixpk= 1390, nxpk= 10, iat=1449,1435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 ASP HA 88 THR HN 3.50 (# 1391:10 Unique 2.70, 3.13 A)
&rst
ixpk= 1391, nxpk= 10, iat=1425,1435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1392 88 THR HN 2.80 (# 1392:10 Single Ambig)
&rst
ixpk= 1392, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1437,1401,
&end
#
# 88 THR HB 88 THR HN 3.50 (# 1394:10 Unique 2.30, 3.38 A)
&rst
ixpk= 1394, nxpk= 10, iat=1439,1435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 VAL HA 88 THR HN 5.50 (# 1395:10 Unique 2.47, 3.52 A)
&rst
ixpk= 1395, nxpk= 10, iat=1487,1435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1396 88 THR HN 5.50 (# 1396:10 Single Ambig)
&rst
ixpk= 1396, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1403,1404,1361,1472,1473,1472,1473,
&end
#
# 0 AMB 10-2:1397 88 THR HN 5.50 (# 1397:10 Single Ambig)
&rst
ixpk= 1397, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1385,1386,1385,1386,
&end
#
# 0 AMB 10-2:1398 88 THR HN 5.50 (# 1398:10 Single Ambig)
&rst
ixpk= 1398, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1462,1463,1462,1463,1403,1404,
&end
#
# 87 ASP HB+ 88 THR HN 4.50 (# 1399:10 Unique 3.09, 3.99 A)
&rst
ixpk= 1399, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1427,1428,
&end
#
# 0 AMB 10-2:1400 88 THR HN 4.50 (# 1400:10 Single Ambig)
&rst
ixpk= 1400, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1427,1428,1505,1506,
&end
#
# 85 ARG HB+ 88 THR HN 4.50 (# 1401:10 Unique 3.08, 5.32 A)
&rst
ixpk= 1401, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1379,1380,
&end
#
# 0 AMB 10-2:1402 88 THR HN 3.50 (# 1402:10 Single Ambig)
&rst
ixpk= 1402, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1382,1383,1379,1380,
&end
#
# 85 ARG HG- 88 THR HN 5.50 (# 1403:10 Unique 2.13, 4.56 A)
&rst
ixpk= 1403, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1382,1383,
&end
#
# 88 THR MG2 88 THR HN 2.80 (# 1405:10 Unique 1.85, 3.16 A)
&rst
ixpk= 1405, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1441,1442,1443,
&end
#
# 91 VAL MGX 88 THR HN 5.50 (# 1406:10 Unique 2.22, 6.02 A)
&rst
ixpk= 1406, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 84 VAL MGX 88 THR HN 5.50 (# 1407:10 Unique 5.36, 7.74 A)
&rst
ixpk= 1407, nxpk= 10, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 88 THR MG2 89 LYS HN 4.50 (# 1408:10 Unique 1.92, 3.77 A)
&rst
ixpk= 1408, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1441,1442,1443,
&end
#
# 89 LYS HG+ 89 LYS HN 3.50 (# 1409:10 Unique 2.65, 3.32 A)
&rst
ixpk= 1409, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1456,1457,
&end
#
# 0 AMB 10-2:1410 89 LYS HN 3.50 (# 1410:10 Single Ambig)
&rst
ixpk= 1410, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1453,1454,1382,1383,
&end
#
# 0 AMB 10-2:1411 89 LYS HN 5.50 (# 1411:10 Single Ambig)
&rst
ixpk= 1411, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1478,1479,1475,1476,
&end
#
# 0 AMB 10-2:1413 89 LYS HN 5.50 (# 1413:10 Single Ambig)
&rst
ixpk= 1413, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1462,1463,1462,1463,
&end
#
# 0 AMB 10-2:1414 89 LYS HN 5.50 (# 1414:10 Single Ambig)
&rst
ixpk= 1414, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1472,1473,1472,1473,
&end
#
# 91 VAL HA 89 LYS HN 5.50 (# 1415:10 Unique 2.28, 2.82 A)
&rst
ixpk= 1415, nxpk= 10, iat=1487,1449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 THR HB 89 LYS HN 3.50 (# 1416:10 Unique 1.83, 3.54 A)
&rst
ixpk= 1416, nxpk= 10, iat=1439,1449, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1417 89 LYS HN 3.50 (# 1417:10 Single Ambig)
&rst
ixpk= 1417, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1437,1401,
&end
#
# 89 LYS HA 89 LYS HN 3.50 (# 1419:10 Unique 2.27, 2.30 A)
&rst
ixpk= 1419, nxpk= 10, iat=1451,1449, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 THR HN 89 LYS HN 4.50 (# 1420:10 Unique 1.96, 2.46 A)
&rst
ixpk= 1420, nxpk= 10, iat=1435,1449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 LYS HG- 91 VAL HN 5.50 (# 1423:10 Unique 3.94, 5.50 A)
&rst
ixpk= 1423, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1456,1457,
&end
#
# 2 ILE HG1- 91 VAL HN 5.50 (# 1424:10 Unique 4.74, 6.36 A)
&rst
ixpk= 1424, nxpk= 10, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 31, 32,
&end
#
# 0 AMB 10-2:1425 0 AMB 10-1:1425 5.50 (# 1425:10 Double Ambig)
&rst
ixpk= 1425, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1512,1423,
igr2=1501,1375,
&end
#
# 0 AMB 10-2:1426 0 AMB 10-1:1426 5.50 (# 1426:10 Double Ambig)
&rst
ixpk= 1426, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1531,1418,
igr2=1501,1375,
&end
#
# 91 VAL HA 92 CYS HN 3.50 (# 1428:10 Unique 2.16, 2.43 A)
&rst
ixpk= 1428, nxpk= 10, iat=1487,1501, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 CYS HB- 0 AMB 10-1:1429 3.50 (# 1429:10 Single Ambig)
&rst
ixpk= 1429, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1505,1506,
igr2=1375,1501,
&end
#
# 0 AMB 10-2:1430 0 AMB 10-1:1430 3.50 (# 1430:10 Double Ambig)
&rst
ixpk= 1430, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1505,1506,1505,1506,
igr2=1375,1501,
&end
#
# 91 VAL HB 92 CYS HN 4.50 (# 1431:10 Unique 1.75, 3.63 A)
&rst
ixpk= 1431, nxpk= 10, iat=1489,1501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1432 92 CYS HN 5.50 (# 1432:10 Single Ambig)
&rst
ixpk= 1432, nxpk= 10, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1478,1479,1379,1380,
&end
#
# 0 AMB 10-2:1433 92 CYS HN 5.50 (# 1433:10 Single Ambig)
&rst
ixpk= 1433, nxpk= 10, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1382,1383,1363,
&end
#
# 91 VAL MGY 92 CYS HN 3.50 (# 1434:10 Unique 1.94, 4.21 A)
&rst
ixpk= 1434, nxpk= 10, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 0 AMB 10-2:1435 92 CYS HN 4.50 (# 1435:10 Single Ambig)
&rst
ixpk= 1435, nxpk= 10, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1365,1366,1367,1369,1370,1371, 34, 35, 36,
&end
#
# 93 ILE QG2 92 CYS HN 4.50 (# 1436:10 Unique 3.30, 5.47 A)
&rst
ixpk= 1436, nxpk= 10, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1518,1519,1520,
&end
#
# 91 VAL MGX 92 CYS HN 3.50 (# 1437:10 Unique 1.94, 4.21 A)
&rst
ixpk= 1437, nxpk= 10, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 92 CYS HN 93 ILE HN 5.50 (# 1438:10 Unique 3.24, 4.07 A)
&rst
ixpk= 1438, nxpk= 10, iat=1501,1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLY HN 93 ILE HN 4.50 (# 1439:10 Unique 1.98, 2.50 A)
&rst
ixpk= 1439, nxpk= 10, iat=1531,1512, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TYR HA 93 ILE HN 5.50 (# 1441:10 Unique 3.66, 4.12 A)
&rst
ixpk= 1441, nxpk= 10, iat= 85,1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ILE HA 93 ILE HN 4.50 (# 1442:10 Unique 2.81, 2.91 A)
&rst
ixpk= 1442, nxpk= 10, iat=1514,1512, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 GLY HA+ 93 ILE HN 5.50 (# 1443:10 Unique 1.83, 3.23 A)
&rst
ixpk= 1443, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 78, 79,
&end
#
# 94 GLY HA- 93 ILE HN 5.50 (# 1444:10 Unique 4.31, 4.87 A)
&rst
ixpk= 1444, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1533,1534,
&end
#
# 6 GLY HA- 93 ILE HN 5.50 (# 1445:10 Unique 1.83, 3.23 A)
&rst
ixpk= 1445, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 78, 79,
&end
#
# 92 CYS HB+ 93 ILE HN 5.50 (# 1446:10 Unique 3.57, 4.23 A)
&rst
ixpk= 1446, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1505,1506,
&end
#
# 92 CYS HB- 93 ILE HN 5.50 (# 1447:10 Unique 3.57, 4.23 A)
&rst
ixpk= 1447, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1505,1506,
&end
#
# 0 AMB 10-2:1448 93 ILE HN 5.50 (# 1448:10 Single Ambig)
&rst
ixpk= 1448, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1516,1475,1476,
&end
#
# 93 ILE HG1- 93 ILE HN 3.50 (# 1449:10 Unique 1.90, 2.78 A)
&rst
ixpk= 1449, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1522,1523,
&end
#
# 0 AMB 10-2:1450 93 ILE HN 3.50 (# 1450:10 Single Ambig)
&rst
ixpk= 1450, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1525,1526,1527,1522,1523,
&end
#
# 91 VAL MGX 93 ILE HN 5.50 (# 1451:10 Unique 3.15, 5.71 A)
&rst
ixpk= 1451, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 84 VAL MGX 93 ILE HN 5.50 (# 1452:10 Unique 4.15, 5.73 A)
&rst
ixpk= 1452, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 84 VAL MGX 94 GLY HN 5.50 (# 1453:10 Unique 3.45, 5.59 A)
&rst
ixpk= 1453, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 79 LEU MDY 94 GLY HN 3.50 (# 1454:10 Unique 2.58, 4.92 A)
&rst
ixpk= 1454, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 93 ILE HG1- 94 GLY HN 3.50 (# 1455:10 Unique 2.30, 3.80 A)
&rst
ixpk= 1455, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1522,1523,
&end
#
# 79 LEU MDX 94 GLY HN 3.50 (# 1456:10 Unique 2.58, 4.92 A)
&rst
ixpk= 1456, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 10-2:1457 94 GLY HN 3.50 (# 1457:10 Single Ambig)
&rst
ixpk= 1457, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1525,1526,1527,1522,1523,
&end
#
# 79 LEU HB- 94 GLY HN 5.50 (# 1458:10 Unique 3.67, 5.89 A)
&rst
ixpk= 1458, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1265,1266,
&end
#
# 79 LEU HG 94 GLY HN 5.50 (# 1459:10 Unique 3.40, 3.95 A)
&rst
ixpk= 1459, nxpk= 10, iat=1268,1531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1460 94 GLY HN 5.50 (# 1460:10 Single Ambig)
&rst
ixpk= 1460, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 31, 32,1198,1199,1347,1559,1560,
&end
#
# 0 AMB 10-2:1462 94 GLY HN 4.50 (# 1462:10 Single Ambig)
&rst
ixpk= 1462, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1516,1304,1305,
&end
#
# 0 AMB 10-2:1463 94 GLY HN 5.50 (# 1463:10 Single Ambig)
&rst
ixpk= 1463, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 111, 112, 108, 109, 108, 109,1542,1543,
&end
#
# 6 GLY HA- 94 GLY HN 5.50 (# 1465:10 Unique 2.97, 5.00 A)
&rst
ixpk= 1465, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 78, 79,
&end
#
# 94 GLY HA- 94 GLY HN 4.50 (# 1466:10 Unique 2.65, 2.80 A)
&rst
ixpk= 1466, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1533,1534,
&end
#
# 94 GLY HA+ 94 GLY HN 3.50 (# 1467:10 Unique 2.65, 2.80 A)
&rst
ixpk= 1467, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1533,1534,
&end
#
# 93 ILE HA 94 GLY HN 3.50 (# 1468:10 Unique 2.91, 3.18 A)
&rst
ixpk= 1468, nxpk= 10, iat=1514,1531, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 TYR HA 94 GLY HN 5.50 (# 1469:10 Unique 2.70, 3.19 A)
&rst
ixpk= 1469, nxpk= 10, iat= 85,1531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 CYS HA 94 GLY HN 4.50 (# 1470:10 Unique 3.04, 3.32 A)
&rst
ixpk= 1470, nxpk= 10, iat=1503,1531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 GLN HA 94 GLY HN 5.50 (# 1471:10 Unique 4.53, 4.63 A)
&rst
ixpk= 1471, nxpk= 10, iat=1540,1531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR HE 94 GLY HN 5.50 (# 1472:10 Unique 3.12, 5.70 A)
&rst
ixpk= 1472, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 93, 98,
&end
#
# 79 LEU HN 94 GLY HN 5.50 (# 1475:10 Unique 4.07, 4.59 A)
&rst
ixpk= 1475, nxpk= 10, iat=1261,1531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1476 94 GLY HN 4.50 (# 1476:10 Single Ambig)
&rst
ixpk= 1476, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1538,1501,1375,
&end
#
# 93 ILE HN 94 GLY HN 3.50 (# 1478:10 Unique 1.98, 2.50 A)
&rst
ixpk= 1478, nxpk= 10, iat=1512,1531, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 TYR HN 95 GLN HN 5.50 (# 1479:10 Unique 2.26, 2.52 A)
&rst
ixpk= 1479, nxpk= 10, iat=1218,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS HN 95 GLN HN 5.50 (# 1480:10 Unique 4.00, 4.11 A)
&rst
ixpk= 1480, nxpk= 10, iat=1555,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LEU HN 95 GLN HN 5.50 (# 1481:10 Unique 4.77, 5.29 A)
&rst
ixpk= 1481, nxpk= 10, iat=1261,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLY HN 95 GLN HN 5.50 (# 1482:10 Unique 4.12, 4.28 A)
&rst
ixpk= 1482, nxpk= 10, iat=1531,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR HD 95 GLN HN 5.50 (# 1484:10 Unique 2.15, 4.48 A)
&rst
ixpk= 1484, nxpk= 10, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 91, 100,
&end
#
# 7 TYR HE 95 GLN HN 5.50 (# 1485:10 Unique 2.73, 5.02 A)
&rst
ixpk= 1485, nxpk= 10, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 93, 98,
&end
#
# 0 AMB 10-2:1486 95 GLN HN 5.50 (# 1486:10 Single Ambig)
&rst
ixpk= 1486, nxpk= 10, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1540,1196,
&end
#
# 78 LYS HA 95 GLN HN 5.50 (# 1487:10 Unique 4.53, 5.08 A)
&rst
ixpk= 1487, nxpk= 10, iat=1241,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLY HA+ 95 GLN HN 4.50 (# 1488:10 Unique 2.19, 2.58 A)
&rst
ixpk= 1488, nxpk= 10, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1533,1534,
&end
#
# 94 GLY HA- 95 GLN HN 4.50 (# 1489:10 Unique 2.19, 2.58 A)
&rst
ixpk= 1489, nxpk= 10, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1533,1534,
&end
#
# 95 GLN HG+ 95 GLN HN 5.50 (# 1490:10 Unique 2.89, 3.91 A)
&rst
ixpk= 1490, nxpk= 10, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1545,1546,
&end
#
# 0 AMB 10-2:1491 95 GLN HN 5.50 (# 1491:10 Single Ambig)
&rst
ixpk= 1491, nxpk= 10, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,1204,1205,
&end
#
# 95 GLN HB+ 95 GLN HN 5.50 (# 1492:10 Unique 2.68, 3.32 A)
&rst
ixpk= 1492, nxpk= 10, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1542,1543,
&end
#
# 95 GLN HB- 95 GLN HN 5.50 (# 1493:10 Unique 2.68, 3.32 A)
&rst
ixpk= 1493, nxpk= 10, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1542,1543,
&end
#
# 79 LEU HG 95 GLN HN 5.50 (# 1494:10 Unique 4.11, 5.09 A)
&rst
ixpk= 1494, nxpk= 10, iat=1268,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LEU MDY 95 GLN HN 5.50 (# 1495:10 Unique 3.11, 5.21 A)
&rst
ixpk= 1495, nxpk= 10, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 10 ASN HD2+ 96 LYS HN 5.50 (# 1497:10 Unique 2.51, 3.78 A)
&rst
ixpk= 1497, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 127 VAL HN 126 TRP HN 5.50 (# 1498:10 Unique 4.43, 4.53 A)
&rst
ixpk= 1498, nxpk= 10, iat=2062,2038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLN HE2- 126 TRP HN 5.50 (# 1499:10 Unique 5.75, 6.49 A)
&rst
ixpk= 1499, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 294, 295,
&end
#
# 96 LYS HD- 96 LYS HN 5.50 (# 1500:10 Unique 3.66, 5.27 A)
&rst
ixpk= 1500, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1565,1566,
&end
#
# 0 AMB 10-2:1501 96 LYS HN 5.50 (# 1501:10 Single Ambig)
&rst
ixpk= 1501, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1562,1563, 27, 28, 29,1270,1271,1272,1274,1275,
1276,
&end
#
# 96 LYS HB+ 96 LYS HN 5.50 (# 1502:10 Unique 2.26, 2.73 A)
&rst
ixpk= 1502, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1559,1560,
&end
#
# 95 GLN HB- 96 LYS HN 5.50 (# 1503:10 Unique 2.13, 3.88 A)
&rst
ixpk= 1503, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1542,1543,
&end
#
# 0 AMB 10-2:1504 96 LYS HN 4.50 (# 1504:10 Single Ambig)
&rst
ixpk= 1504, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1542,1543, 111, 112, 108, 109,
&end
#
# 95 GLN HG+ 96 LYS HN 5.50 (# 1505:10 Unique 2.89, 4.66 A)
&rst
ixpk= 1505, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1545,1546,
&end
#
# 10 ASN HD2+ 96 LYS HN 5.50 (# 1506:10 Unique 2.51, 3.78 A)
&rst
ixpk= 1506, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 7 TYR HD 96 LYS HN 5.50 (# 1507:10 Unique 4.56, 5.11 A)
&rst
ixpk= 1507, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 91, 100,
&end
#
# 10 ASN HD2- 96 LYS HN 5.50 (# 1508:10 Unique 2.51, 3.78 A)
&rst
ixpk= 1508, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 10 ASN HN 97 GLN HN 5.50 (# 1510:10 Unique 4.51, 4.77 A)
&rst
ixpk= 1510, nxpk= 10, iat= 142,1577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HN 97 GLN HN 5.50 (# 1511:10 Unique 2.79, 3.46 A)
&rst
ixpk= 1511, nxpk= 10, iat=1175,1577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 LYS HN 97 GLN HN 5.50 (# 1513:10 Unique 4.25, 4.36 A)
&rst
ixpk= 1513, nxpk= 10, iat=1594,1577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2+ 97 GLN HN 5.50 (# 1515:10 Unique 3.80, 5.62 A)
&rst
ixpk= 1515, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 151, 152,
&end
#
# 99 TRP HD1 97 GLN HN 5.50 (# 1516:10 Unique 4.34, 5.04 A)
&rst
ixpk= 1516, nxpk= 10, iat=1624,1577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLN HA 97 GLN HN 5.50 (# 1517:10 Unique 2.89, 2.91 A)
&rst
ixpk= 1517, nxpk= 10, iat=1579,1577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS HA 97 GLN HN 4.50 (# 1518:10 Unique 2.14, 2.15 A)
&rst
ixpk= 1518, nxpk= 10, iat=1557,1577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1519 97 GLN HN 5.50 (# 1519:10 Single Ambig)
&rst
ixpk= 1519, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1196, 138,
&end
#
# 74 TRP HA 97 GLN HN 5.50 (# 1520:10 Unique 3.94, 4.34 A)
&rst
ixpk= 1520, nxpk= 10, iat=1153,1577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HB- 97 GLN HN 5.50 (# 1521:10 Unique 3.15, 4.42 A)
&rst
ixpk= 1521, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155,1156,
&end
#
# 74 TRP HB+ 97 GLN HN 5.50 (# 1522:10 Unique 3.15, 4.42 A)
&rst
ixpk= 1522, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155,1156,
&end
#
# 0 AMB 10-2:1523 97 GLN HN 4.50 (# 1523:10 Single Ambig)
&rst
ixpk= 1523, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1204,1205,1581,1582,
&end
#
# 0 AMB 10-2:1524 97 GLN HN 5.50 (# 1524:10 Single Ambig)
&rst
ixpk= 1524, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1179,1180,1542,1543,
&end
#
# 97 GLN HB- 97 GLN HN 4.50 (# 1525:10 Unique 2.87, 3.60 A)
&rst
ixpk= 1525, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1581,1582,
&end
#
# 0 AMB 10-2:1526 97 GLN HN 5.50 (# 1526:10 Single Ambig)
&rst
ixpk= 1526, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1198,1199,1559,1560,
&end
#
# 96 LYS HB- 97 GLN HN 5.50 (# 1527:10 Unique 4.18, 4.38 A)
&rst
ixpk= 1527, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1559,1560,
&end
#
# 0 AMB 10-2:1528 97 GLN HN 5.50 (# 1528:10 Single Ambig)
&rst
ixpk= 1528, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1598,1599,2353,2354,2355,2357,2358,2359,2353,2354,
2355,2357,2358,2359,
&end
#
# 0 AMB 10-2:1529 97 GLN HN 4.50 (# 1529:10 Single Ambig)
&rst
ixpk= 1529, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1201,1202,1565,1566,
&end
#
# 97 GLN HN 98 LYS HN 5.50 (# 1530:10 Unique 4.25, 4.36 A)
&rst
ixpk= 1530, nxpk= 10, iat=1577,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HN 98 LYS HN 5.50 (# 1531:10 Unique 4.46, 4.91 A)
&rst
ixpk= 1531, nxpk= 10, iat= 142,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HN 98 LYS HN 5.50 (# 1532:10 Unique 4.43, 4.87 A)
&rst
ixpk= 1532, nxpk= 10, iat= 156,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLN HA 98 LYS HN 4.50 (# 1535:10 Unique 2.18, 2.28 A)
&rst
ixpk= 1535, nxpk= 10, iat=1579,1594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1536 98 LYS HN 5.50 (# 1536:10 Single Ambig)
&rst
ixpk= 1536, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 144, 138,
&end
#
# 11 VAL HA 98 LYS HN 5.50 (# 1537:10 Unique 1.89, 2.21 A)
&rst
ixpk= 1537, nxpk= 10, iat= 158,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 LYS HA 98 LYS HN 5.50 (# 1538:10 Unique 2.91, 2.93 A)
&rst
ixpk= 1538, nxpk= 10, iat=1596,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLN HB+ 98 LYS HN 5.50 (# 1539:10 Unique 2.54, 3.31 A)
&rst
ixpk= 1539, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1581,1582,
&end
#
# 97 GLN HB- 98 LYS HN 5.50 (# 1541:10 Unique 2.54, 3.31 A)
&rst
ixpk= 1541, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1581,1582,
&end
#
# 98 LYS HB+ 98 LYS HN 5.50 (# 1542:10 Unique 2.32, 3.01 A)
&rst
ixpk= 1542, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1598,1599,
&end
#
# 11 VAL MGY 98 LYS HN 5.50 (# 1543:10 Unique 2.34, 4.81 A)
&rst
ixpk= 1543, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 10-2:1544 98 LYS HN 5.50 (# 1544:10 Single Ambig)
&rst
ixpk= 1544, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1601,1602, 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HB- 98 LYS HN 5.50 (# 1545:10 Unique 2.32, 3.01 A)
&rst
ixpk= 1545, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1598,1599,
&end
#
# 0 AMB 10-2:1546 99 TRP HN 5.50 (# 1546:10 Single Ambig)
&rst
ixpk= 1546, nxpk= 10, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1099,1640,
&end
#
# 99 TRP HD1 99 TRP HN 4.50 (# 1549:10 Unique 1.93, 2.17 A)
&rst
ixpk= 1549, nxpk= 10, iat=1624,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 TRP HA 99 TRP HN 5.50 (# 1550:10 Unique 2.81, 2.87 A)
&rst
ixpk= 1550, nxpk= 10, iat=1618,1616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 THR HB 99 TRP HN 5.50 (# 1552:10 Unique 2.26, 3.67 A)
&rst
ixpk= 1552, nxpk= 10, iat=1103,1616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 LYS HA 99 TRP HN 4.50 (# 1553:10 Unique 2.14, 2.18 A)
&rst
ixpk= 1553, nxpk= 10, iat=1596,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 TRP HB+ 99 TRP HN 5.50 (# 1554:10 Unique 2.25, 3.05 A)
&rst
ixpk= 1554, nxpk= 10, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1620,1621,
&end
#
# 99 TRP HB- 99 TRP HN 5.50 (# 1555:10 Unique 2.25, 3.05 A)
&rst
ixpk= 1555, nxpk= 10, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1620,1621,
&end
#
# 0 AMB 10-2:1556 99 TRP HN 5.50 (# 1556:10 Single Ambig)
&rst
ixpk= 1556, nxpk= 10, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 71 THR MG2 99 TRP HN 3.50 (# 1557:10 Unique 1.94, 3.43 A)
&rst
ixpk= 1557, nxpk= 10, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1105,1106,1107,
&end
#
# 98 LYS HG- 99 TRP HN 5.50 (# 1558:10 Unique 3.00, 4.35 A)
&rst
ixpk= 1558, nxpk= 10, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1601,1602,
&end
#
# 98 LYS HB- 99 TRP HN 5.50 (# 1559:10 Unique 3.05, 4.14 A)
&rst
ixpk= 1559, nxpk= 10, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1598,1599,
&end
#
# 98 LYS HG+ 99 TRP HN 5.50 (# 1560:10 Unique 3.00, 4.35 A)
&rst
ixpk= 1560, nxpk= 10, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1601,1602,
&end
#
# 147 VAL MGX 99 TRP HN 5.50 (# 1561:10 Unique 4.48, 6.33 A)
&rst
ixpk= 1561, nxpk= 10, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 14 VAL HN 100 PHE HN 5.50 (# 1562:10 Unique 3.63, 3.99 A)
&rst
ixpk= 1562, nxpk= 10, iat= 198,1640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU HN 100 PHE HN 5.50 (# 1563:10 Unique 4.24, 4.41 A)
&rst
ixpk= 1563, nxpk= 10, iat=1660,1640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLY HN 100 PHE HN 5.50 (# 1564:10 Unique 4.01, 4.55 A)
&rst
ixpk= 1564, nxpk= 10, iat= 172,1640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HE3 100 PHE HN 5.50 (# 1565:10 Unique 4.41, 4.83 A)
&rst
ixpk= 1565, nxpk= 10, iat=1635,1640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HA 100 PHE HN 4.50 (# 1569:10 Unique 2.14, 2.16 A)
&rst
ixpk= 1569, nxpk= 10, iat=1618,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ILE HA 100 PHE HN 5.50 (# 1571:10 Unique 3.30, 3.81 A)
&rst
ixpk= 1571, nxpk= 10, iat= 181,1640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 TRP HB+ 100 PHE HN 5.50 (# 1572:10 Unique 3.19, 3.98 A)
&rst
ixpk= 1572, nxpk= 10, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1620,1621,
&end
#
# 99 TRP HB- 100 PHE HN 5.50 (# 1573:10 Unique 3.19, 3.98 A)
&rst
ixpk= 1573, nxpk= 10, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1620,1621,
&end
#
# 0 AMB 10-2:1574 100 PHE HN 4.50 (# 1574:10 Single Ambig)
&rst
ixpk= 1574, nxpk= 10, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1644,1645,1644,1645,
&end
#
# 50 MET HG- 100 PHE HN 5.50 (# 1575:10 Unique 3.29, 4.39 A)
&rst
ixpk= 1575, nxpk= 10, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 755, 756,
&end
#
# 11 VAL MGY 100 PHE HN 5.50 (# 1576:10 Unique 4.47, 7.44 A)
&rst
ixpk= 1576, nxpk= 10, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 10-2:1577 100 PHE HN 4.50 (# 1577:10 Single Ambig)
&rst
ixpk= 1577, nxpk= 10, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 174, 175,1604,1605, 185, 186, 187,
&end
#
# 0 AMB 10-2:1578 100 PHE HN 4.50 (# 1578:10 Single Ambig)
&rst
ixpk= 1578, nxpk= 10, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1601,1602, 192, 193, 194, 162, 163, 164, 166, 167,
168,
&end
#
# 101 LEU HB- 101 LEU HN 5.50 (# 1579:10 Unique 2.20, 2.58 A)
&rst
ixpk= 1579, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1665,
&end
#
# 0 AMB 10-2:1580 101 LEU HN 4.50 (# 1580:10 Single Ambig)
&rst
ixpk= 1580, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 204, 205, 206, 208, 209, 210, 759, 760, 761,
&end
#
# 101 LEU MDX 101 LEU HN 4.50 (# 1581:10 Unique 3.76, 5.13 A)
&rst
ixpk= 1581, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1669,1670,1671,1673,1674,1675,
&end
#
# 102 LEU MDY 101 LEU HN 4.50 (# 1582:10 Unique 3.56, 6.39 A)
&rst
ixpk= 1582, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1688,1689,1690,1692,1693,1694,
&end
#
# 101 LEU HB+ 101 LEU HN 4.50 (# 1583:10 Unique 2.20, 2.58 A)
&rst
ixpk= 1583, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1664,1665,
&end
#
# 69 ALA MB 101 LEU HN 5.50 (# 1584:10 Unique 2.52, 4.17 A)
&rst
ixpk= 1584, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1082,1083,1084,
&end
#
# 14 VAL HB 101 LEU HN 5.50 (# 1586:10 Unique 3.75, 4.39 A)
&rst
ixpk= 1586, nxpk= 10, iat= 202,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1587 101 LEU HN 5.50 (# 1587:10 Single Ambig)
&rst
ixpk= 1587, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1644,1645,1644,1645,
&end
#
# 70 SER HB- 101 LEU HN 5.50 (# 1588:10 Unique 3.55, 4.90 A)
&rst
ixpk= 1588, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1092,1093,
&end
#
# 70 SER HB+ 101 LEU HN 5.50 (# 1589:10 Unique 3.55, 4.90 A)
&rst
ixpk= 1589, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1092,1093,
&end
#
# 69 ALA HA 101 LEU HN 5.50 (# 1590:10 Unique 4.52, 4.87 A)
&rst
ixpk= 1590, nxpk= 10, iat=1080,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU HA 101 LEU HN 5.50 (# 1592:10 Unique 2.85, 2.89 A)
&rst
ixpk= 1592, nxpk= 10, iat=1662,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 SER HA 101 LEU HN 5.50 (# 1593:10 Unique 2.05, 2.86 A)
&rst
ixpk= 1593, nxpk= 10, iat=1090,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 ALA HN 101 LEU HN 5.50 (# 1596:10 Unique 3.07, 3.71 A)
&rst
ixpk= 1596, nxpk= 10, iat=1078,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 THR HN 101 LEU HN 5.50 (# 1597:10 Unique 3.94, 4.36 A)
&rst
ixpk= 1597, nxpk= 10, iat=1099,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LEU HN 101 LEU HN 5.50 (# 1599:10 Unique 3.99, 4.23 A)
&rst
ixpk= 1599, nxpk= 10, iat=1679,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 CYS HN 102 LEU HN 5.50 (# 1600:10 Unique 3.07, 3.97 A)
&rst
ixpk= 1600, nxpk= 10, iat= 233,1679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU HN 102 LEU HN 5.50 (# 1601:10 Unique 4.76, 5.10 A)
&rst
ixpk= 1601, nxpk= 10, iat=1059,1679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1602 102 LEU HN 5.50 (# 1602:10 Single Ambig)
&rst
ixpk= 1602, nxpk= 10, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 198,1698,
&end
#
# 101 LEU HN 102 LEU HN 5.50 (# 1603:10 Unique 3.99, 4.23 A)
&rst
ixpk= 1603, nxpk= 10, iat=1660,1679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LEU HA 102 LEU HN 5.50 (# 1605:10 Unique 2.89, 2.92 A)
&rst
ixpk= 1605, nxpk= 10, iat=1681,1679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU HA 102 LEU HN 3.50 (# 1606:10 Unique 2.14, 2.21 A)
&rst
ixpk= 1606, nxpk= 10, iat=1662,1679, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 VAL HB 102 LEU HN 5.50 (# 1607:10 Unique 2.80, 3.17 A)
&rst
ixpk= 1607, nxpk= 10, iat= 202,1679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1608 102 LEU HN 5.50 (# 1608:10 Single Ambig)
&rst
ixpk= 1608, nxpk= 10, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 218,1702,1703,1722,
&end
#
# 102 LEU HB+ 102 LEU HN 4.50 (# 1609:10 Unique 2.12, 2.98 A)
&rst
ixpk= 1609, nxpk= 10, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1683,1684,
&end
#
# 0 AMB 10-2:1610 102 LEU HN 5.50 (# 1610:10 Single Ambig)
&rst
ixpk= 1610, nxpk= 10, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 755, 756,1023,1024, 824, 825, 183,
&end
#
# 102 LEU HB- 102 LEU HN 5.50 (# 1611:10 Unique 2.12, 2.98 A)
&rst
ixpk= 1611, nxpk= 10, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1683,1684,
&end
#
# 0 AMB 10-2:1612 102 LEU HN 4.50 (# 1612:10 Single Ambig)
&rst
ixpk= 1612, nxpk= 10, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1664,1665,1068,1069,1070,1072,1073,1074,
&end
#
# 101 LEU MDX 102 LEU HN 3.50 (# 1613:10 Unique 1.94, 4.57 A)
&rst
ixpk= 1613, nxpk= 10, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1669,1670,1671,1673,1674,1675,
&end
#
# 0 AMB 10-2:1614 102 LEU HN 4.50 (# 1614:10 Single Ambig)
&rst
ixpk= 1614, nxpk= 10, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 227, 228, 229,1068,1069,1070,1072,1073,1074,
&end
#
# 101 LEU HB- 102 LEU HN 5.50 (# 1615:10 Unique 3.75, 4.38 A)
&rst
ixpk= 1615, nxpk= 10, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1665,
&end
#
# 0 AMB 10-2:1616 103 GLN HN 4.50 (# 1616:10 Single Ambig)
&rst
ixpk= 1616, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1006,1007,1008,1010,1011,1012,1740,1741,1742,1744,
1745,1746,
&end
#
# 68 LEU MDX 103 GLN HN 4.50 (# 1617:10 Unique 1.99, 6.18 A)
&rst
ixpk= 1617, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1068,1069,1070,1072,1073,1074,
&end
#
# 102 LEU MDX 103 GLN HN 2.80 (# 1618:10 Unique 2.22, 5.00 A)
&rst
ixpk= 1618, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1688,1689,1690,1692,1693,1694,
&end
#
# 102 LEU HB- 103 GLN HN 5.50 (# 1619:10 Unique 2.58, 3.62 A)
&rst
ixpk= 1619, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1683,1684,
&end
#
# 66 ARG HG+ 103 GLN HN 3.50 (# 1620:10 Unique 3.07, 4.17 A)
&rst
ixpk= 1620, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1023,1024,
&end
#
# 66 ARG HB+ 103 GLN HN 3.50 (# 1622:10 Unique 2.63, 3.84 A)
&rst
ixpk= 1622, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1020,1021,
&end
#
# 0 AMB 10-2:1623 103 GLN HN 4.50 (# 1623:10 Single Ambig)
&rst
ixpk= 1623, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1705,1706,1705,1706,
&end
#
# 0 AMB 10-2:1624 103 GLN HN 5.50 (# 1624:10 Single Ambig)
&rst
ixpk= 1624, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 237, 238,1026,1027,1026,1027,
&end
#
# 67 ILE HA 103 GLN HN 5.50 (# 1625:10 Unique 3.64, 3.87 A)
&rst
ixpk= 1625, nxpk= 10, iat=1042,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1626 103 GLN HN 5.50 (# 1626:10 Single Ambig)
&rst
ixpk= 1626, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1061,1736,
&end
#
# 103 GLN HA 103 GLN HN 5.50 (# 1628:10 Unique 2.90, 2.92 A)
&rst
ixpk= 1628, nxpk= 10, iat=1700,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LEU HA 103 GLN HN 4.50 (# 1629:10 Unique 2.16, 2.21 A)
&rst
ixpk= 1629, nxpk= 10, iat=1681,1698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL HA 103 GLN HN 5.50 (# 1630:10 Unique 4.35, 4.80 A)
&rst
ixpk= 1630, nxpk= 10, iat=1002,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HE2+ 103 GLN HN 5.50 (# 1631:10 Unique 3.48, 4.97 A)
&rst
ixpk= 1631, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1710,1711,
&end
#
# 66 ARG HN 103 GLN HN 5.50 (# 1633:10 Unique 2.16, 2.69 A)
&rst
ixpk= 1633, nxpk= 10, iat=1016,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HN 103 GLN HN 5.50 (# 1634:10 Unique 4.39, 4.49 A)
&rst
ixpk= 1634, nxpk= 10, iat=1715,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU HN 103 GLN HN 5.50 (# 1635:10 Unique 3.46, 3.77 A)
&rst
ixpk= 1635, nxpk= 10, iat=1059,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 CYS HN 103 GLN HN 5.50 (# 1636:10 Unique 4.60, 4.95 A)
&rst
ixpk= 1636, nxpk= 10, iat= 233,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LEU HN 103 GLN HN 5.50 (# 1637:10 Unique 4.33, 4.51 A)
&rst
ixpk= 1637, nxpk= 10, iat=1679,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 CYS HN 104 LEU HN 5.50 (# 1638:10 Unique 2.51, 3.63 A)
&rst
ixpk= 1638, nxpk= 10, iat= 233,1715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HN 104 LEU HN 5.50 (# 1639:10 Unique 4.39, 4.49 A)
&rst
ixpk= 1639, nxpk= 10, iat=1698,1715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 VAL HN 104 LEU HN 5.50 (# 1640:10 Unique 4.09, 4.33 A)
&rst
ixpk= 1640, nxpk= 10, iat=1734,1715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1641 104 LEU HN 5.50 (# 1641:10 Single Ambig)
&rst
ixpk= 1641, nxpk= 10, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1016,1761,
&end
#
# 103 GLN HE2+ 104 LEU HN 5.50 (# 1642:10 Unique 3.26, 4.65 A)
&rst
ixpk= 1642, nxpk= 10, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1710,1711,
&end
#
# 17 ASN HD2+ 104 LEU HN 5.50 (# 1643:10 Unique 4.41, 6.06 A)
&rst
ixpk= 1643, nxpk= 10, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 253, 254,
&end
#
# 103 GLN HA 104 LEU HN 3.50 (# 1644:10 Unique 2.14, 2.18 A)
&rst
ixpk= 1644, nxpk= 10, iat=1700,1715, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ASN HA 104 LEU HN 5.50 (# 1645:10 Unique 2.59, 3.43 A)
&rst
ixpk= 1645, nxpk= 10, iat= 246,1715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HA 104 LEU HN 5.50 (# 1646:10 Unique 2.77, 2.83 A)
&rst
ixpk= 1646, nxpk= 10, iat=1717,1715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ASN HB+ 104 LEU HN 5.50 (# 1647:10 Unique 4.03, 5.84 A)
&rst
ixpk= 1647, nxpk= 10, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 248, 249,
&end
#
# 0 AMB 10-2:1649 104 LEU HN 3.50 (# 1649:10 Single Ambig)
&rst
ixpk= 1649, nxpk= 10, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1702,1703,1722,
&end
#
# 18 ARG HG- 104 LEU HN 5.50 (# 1650:10 Unique 3.54, 5.52 A)
&rst
ixpk= 1650, nxpk= 10, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 265, 266,
&end
#
# 104 LEU HB- 104 LEU HN 4.50 (# 1651:10 Unique 2.05, 2.55 A)
&rst
ixpk= 1651, nxpk= 10, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1719,1720,
&end
#
# 0 AMB 10-2:1652 104 LEU HN 5.50 (# 1652:10 Single Ambig)
&rst
ixpk= 1652, nxpk= 10, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1=2565,2566,2567,2569,2570,2571,1667,2549,2550,2551,
2553,2554,2555,
&end
#
# 15 ILE QG2 104 LEU HN 3.50 (# 1653:10 Unique 2.79, 4.24 A)
&rst
ixpk= 1653, nxpk= 10, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 220, 221, 222,
&end
#
# 0 AMB 10-2:1654 104 LEU HN 4.50 (# 1654:10 Single Ambig)
&rst
ixpk= 1654, nxpk= 10, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 227, 228, 229,1740,1741,1742,1744,1745,1746,2612,
2613,2614,2616,2617,2618,
&end
#
# 104 LEU HN 105 VAL HN 5.50 (# 1655:10 Unique 4.09, 4.33 A)
&rst
ixpk= 1655, nxpk= 10, iat=1715,1734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 SER HN 105 VAL HN 4.50 (# 1656:10 Unique 1.99, 2.34 A)
&rst
ixpk= 1656, nxpk= 10, iat=1750,1734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL HA 105 VAL HN 5.50 (# 1657:10 Unique 2.53, 2.96 A)
&rst
ixpk= 1657, nxpk= 10, iat=1002,1734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HA 105 VAL HN 4.50 (# 1658:10 Unique 2.14, 2.18 A)
&rst
ixpk= 1658, nxpk= 10, iat=1717,1734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 VAL HA 105 VAL HN 4.50 (# 1659:10 Unique 2.86, 2.91 A)
&rst
ixpk= 1659, nxpk= 10, iat=1736,1734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 SER HB+ 105 VAL HN 5.50 (# 1660:10 Unique 3.67, 5.02 A)
&rst
ixpk= 1660, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1754,1755,
&end
#
# 0 AMB 10-2:1661 105 VAL HN 4.50 (# 1661:10 Single Ambig)
&rst
ixpk= 1661, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1738,1719,1720,
&end
#
# 65 VAL HB 105 VAL HN 5.50 (# 1662:10 Unique 4.49, 5.07 A)
&rst
ixpk= 1662, nxpk= 10, iat=1004,1734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HG 105 VAL HN 5.50 (# 1663:10 Unique 2.71, 3.86 A)
&rst
ixpk= 1663, nxpk= 10, iat=1722,1734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HB- 105 VAL HN 5.50 (# 1664:10 Unique 3.67, 4.37 A)
&rst
ixpk= 1664, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1719,1720,
&end
#
# 60 LEU MDX 105 VAL HN 5.50 (# 1665:10 Unique 3.51, 5.77 A)
&rst
ixpk= 1665, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 921, 922, 923, 925, 926, 927,
&end
#
# 105 VAL MGX 105 VAL HN 3.50 (# 1666:10 Unique 1.98, 3.73 A)
&rst
ixpk= 1666, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1740,1741,1742,1744,1745,1746,
&end
#
# 104 LEU MDX 105 VAL HN 3.50 (# 1667:10 Unique 2.20, 4.99 A)
&rst
ixpk= 1667, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 105 VAL MGY 105 VAL HN 3.50 (# 1668:10 Unique 1.98, 3.73 A)
&rst
ixpk= 1668, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1740,1741,1742,1744,1745,1746,
&end
#
# 105 VAL HN 106 SER HN 3.50 (# 1669:10 Unique 1.99, 2.34 A)
&rst
ixpk= 1669, nxpk= 10, iat=1734,1750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 GLY HN 106 SER HN 4.50 (# 1671:10 Unique 2.55, 2.84 A)
&rst
ixpk= 1671, nxpk= 10, iat=1761,1750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL HA 106 SER HN 5.50 (# 1674:10 Unique 4.39, 4.84 A)
&rst
ixpk= 1674, nxpk= 10, iat=1002,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 SER HA 106 SER HN 3.50 (# 1675:10 Unique 2.79, 2.92 A)
&rst
ixpk= 1675, nxpk= 10, iat=1752,1750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 VAL HA 106 SER HN 4.50 (# 1676:10 Unique 2.76, 3.33 A)
&rst
ixpk= 1676, nxpk= 10, iat=1736,1750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 SER HB+ 106 SER HN 4.50 (# 1677:10 Unique 2.13, 3.09 A)
&rst
ixpk= 1677, nxpk= 10, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1754,1755,
&end
#
# 106 SER HB- 106 SER HN 4.50 (# 1678:10 Unique 2.13, 3.09 A)
&rst
ixpk= 1678, nxpk= 10, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1754,1755,
&end
#
# 0 AMB 10-2:1679 106 SER HN 5.50 (# 1679:10 Single Ambig)
&rst
ixpk= 1679, nxpk= 10, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 992, 993, 992, 993,
&end
#
# 0 AMB 10-2:1680 106 SER HN 3.50 (# 1680:10 Single Ambig)
&rst
ixpk= 1680, nxpk= 10, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1738,1719,1720,
&end
#
# 104 LEU HG 106 SER HN 5.50 (# 1682:10 Unique 1.93, 3.13 A)
&rst
ixpk= 1682, nxpk= 10, iat=1722,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1683 106 SER HN 5.50 (# 1683:10 Single Ambig)
&rst
ixpk= 1683, nxpk= 10, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 916, 917,1784,1785,1786, 919, 248, 249,
&end
#
# 104 LEU HB- 106 SER HN 5.50 (# 1684:10 Unique 3.09, 4.66 A)
&rst
ixpk= 1684, nxpk= 10, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1719,1720,
&end
#
# 105 VAL MGY 106 SER HN 3.50 (# 1685:10 Unique 2.18, 4.81 A)
&rst
ixpk= 1685, nxpk= 10, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 10-2:1686 106 SER HN 3.50 (# 1686:10 Single Ambig)
&rst
ixpk= 1686, nxpk= 10, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1006,1007,1008,1010,1011,1012, 220, 221, 222,
&end
#
# 105 VAL MGX 106 SER HN 3.50 (# 1687:10 Unique 2.18, 4.81 A)
&rst
ixpk= 1687, nxpk= 10, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1740,1741,1742,1744,1745,1746,
&end
#
# 0 AMB 10-2:1688 106 SER HN 5.50 (# 1688:10 Single Ambig)
&rst
ixpk= 1688, nxpk= 10, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 105 VAL HN 107 GLY HN 5.50 (# 1689:10 Unique 4.32, 4.84 A)
&rst
ixpk= 1689, nxpk= 10, iat=1734,1761, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLU HN 107 GLY HN 5.50 (# 1691:10 Unique 3.57, 4.16 A)
&rst
ixpk= 1691, nxpk= 10, iat=1790,1761, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 SER HN 107 GLY HN 4.50 (# 1692:10 Unique 2.55, 2.84 A)
&rst
ixpk= 1692, nxpk= 10, iat=1750,1761, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 SER HA 107 GLY HN 3.50 (# 1693:10 Unique 2.19, 3.42 A)
&rst
ixpk= 1693, nxpk= 10, iat=1752,1761, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 GLY HA+ 107 GLY HN 2.80 (# 1695:10 Unique 2.30, 2.73 A)
&rst
ixpk= 1695, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1763,1764,
&end
#
# 0 AMB 10-2:1696 107 GLY HN 2.80 (# 1696:10 Single Ambig)
&rst
ixpk= 1696, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1754,1755,1763,1764,
&end
#
# 106 SER HB- 107 GLY HN 3.50 (# 1697:10 Unique 1.95, 2.66 A)
&rst
ixpk= 1697, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1754,1755,
&end
#
# 0 AMB 10-2:1698 107 GLY HN 5.50 (# 1698:10 Single Ambig)
&rst
ixpk= 1698, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1772,1773,1772,1773,
&end
#
# 110 GLU HG+ 107 GLY HN 5.50 (# 1699:10 Unique 3.50, 5.24 A)
&rst
ixpk= 1699, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1797,1798,
&end
#
# 110 GLU HG- 107 GLY HN 5.50 (# 1700:10 Unique 3.50, 5.24 A)
&rst
ixpk= 1700, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1797,1798,
&end
#
# 0 AMB 10-2:1701 107 GLY HN 5.50 (# 1701:10 Single Ambig)
&rst
ixpk= 1701, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1794,1795,1719,1720,
&end
#
# 109 ALA MB 107 GLY HN 5.50 (# 1703:10 Unique 3.60, 6.64 A)
&rst
ixpk= 1703, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1784,1785,1786,
&end
#
# 104 LEU MDX 107 GLY HN 4.50 (# 1705:10 Unique 1.95, 3.51 A)
&rst
ixpk= 1705, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 10-2:1707 107 GLY HN 5.50 (# 1707:10 Single Ambig)
&rst
ixpk= 1707, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 126 TRP HE1 108 ASP HN 5.50 (# 1708:10 Unique 3.19, 4.05 A)
&rst
ixpk= 1708, nxpk= 10, iat=2048,1768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ALA HN 108 ASP HN 3.50 (# 1709:10 Unique 2.68, 2.77 A)
&rst
ixpk= 1709, nxpk= 10, iat=1780,1768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 GLU HN 108 ASP HN 5.50 (# 1710:10 Unique 4.19, 4.37 A)
&rst
ixpk= 1710, nxpk= 10, iat=1790,1768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 TRP HZ2 108 ASP HN 5.50 (# 1711:10 Unique 3.00, 3.44 A)
&rst
ixpk= 1711, nxpk= 10, iat=2051,1768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ILE HN 108 ASP HN 5.50 (# 1713:10 Unique 4.46, 4.67 A)
&rst
ixpk= 1713, nxpk= 10, iat=1805,1768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 TRP HH2 108 ASP HN 5.50 (# 1714:10 Unique 4.96, 5.50 A)
&rst
ixpk= 1714, nxpk= 10, iat=2053,1768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ASP HA 108 ASP HN 2.80 (# 1716:10 Unique 2.72, 2.76 A)
&rst
ixpk= 1716, nxpk= 10, iat=1770,1768, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 GLY HA+ 108 ASP HN 2.80 (# 1717:10 Unique 2.14, 2.62 A)
&rst
ixpk= 1717, nxpk= 10, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1763,1764,
&end
#
# 107 GLY HA- 108 ASP HN 2.80 (# 1718:10 Unique 2.14, 2.62 A)
&rst
ixpk= 1718, nxpk= 10, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1763,1764,
&end
#
# 0 AMB 10-2:1720 108 ASP HN 2.80 (# 1720:10 Single Ambig)
&rst
ixpk= 1720, nxpk= 10, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1772,1773,1772,1773,
&end
#
# 0 AMB 10-2:1722 108 ASP HN 5.50 (# 1722:10 Single Ambig)
&rst
ixpk= 1722, nxpk= 10, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 248, 249,1784,1785,1786,
&end
#
# 104 LEU MDY 108 ASP HN 4.50 (# 1723:10 Unique 2.03, 4.65 A)
&rst
ixpk= 1723, nxpk= 10, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 111 ILE QG2 108 ASP HN 5.50 (# 1724:10 Unique 5.41, 6.76 A)
&rst
ixpk= 1724, nxpk= 10, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1811,1812,1813,
&end
#
# 111 ILE QD1 108 ASP HN 5.50 (# 1725:10 Unique 3.12, 4.60 A)
&rst
ixpk= 1725, nxpk= 10, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1818,1819,1820,
&end
#
# 108 ASP HN 109 ALA HN 3.50 (# 1726:10 Unique 2.68, 2.77 A)
&rst
ixpk= 1726, nxpk= 10, iat=1768,1780, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 GLU HN 109 ALA HN 3.50 (# 1727:10 Unique 2.28, 2.63 A)
&rst
ixpk= 1727, nxpk= 10, iat=1790,1780, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 ILE HN 109 ALA HN 5.50 (# 1729:10 Unique 3.37, 3.83 A)
&rst
ixpk= 1729, nxpk= 10, iat=1805,1780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1730 109 ALA HN 2.80 (# 1730:10 Single Ambig)
&rst
ixpk= 1730, nxpk= 10, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1782,1770,
&end
#
# 110 GLU HA 109 ALA HN 5.50 (# 1731:10 Unique 4.92, 5.26 A)
&rst
ixpk= 1731, nxpk= 10, iat=1792,1780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1732 109 ALA HN 3.50 (# 1732:10 Single Ambig)
&rst
ixpk= 1732, nxpk= 10, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1772,1773,1772,1773,
&end
#
# 110 GLU HG- 109 ALA HN 5.50 (# 1733:10 Unique 4.50, 5.68 A)
&rst
ixpk= 1733, nxpk= 10, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1797,1798,
&end
#
# 110 GLU HB+ 109 ALA HN 5.50 (# 1734:10 Unique 4.36, 5.47 A)
&rst
ixpk= 1734, nxpk= 10, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1794,1795,
&end
#
# 110 GLU HB- 109 ALA HN 5.50 (# 1735:10 Unique 4.36, 5.47 A)
&rst
ixpk= 1735, nxpk= 10, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1794,1795,
&end
#
# 109 ALA MB 109 ALA HN 2.80 (# 1736:10 Unique 2.07, 2.89 A)
&rst
ixpk= 1736, nxpk= 10, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1784,1785,1786,
&end
#
# 104 LEU MDY 109 ALA HN 5.50 (# 1737:10 Unique 4.61, 6.60 A)
&rst
ixpk= 1737, nxpk= 10, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 111 ILE QD1 109 ALA HN 5.50 (# 1738:10 Unique 4.39, 5.94 A)
&rst
ixpk= 1738, nxpk= 10, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1818,1819,1820,
&end
#
# 108 ASP HN 110 GLU HN 5.50 (# 1739:10 Unique 4.19, 4.37 A)
&rst
ixpk= 1739, nxpk= 10, iat=1768,1790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ALA HN 110 GLU HN 3.50 (# 1740:10 Unique 2.28, 2.63 A)
&rst
ixpk= 1740, nxpk= 10, iat=1780,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 ILE HN 110 GLU HN 3.50 (# 1741:10 Unique 2.07, 2.20 A)
&rst
ixpk= 1741, nxpk= 10, iat=1805,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1742 110 GLU HN 3.50 (# 1742:10 Single Ambig)
&rst
ixpk= 1742, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1782,1770,
&end
#
# 110 GLU HA 110 GLU HN 2.80 (# 1743:10 Unique 2.90, 2.93 A)
&rst
ixpk= 1743, nxpk= 10, iat=1792,1790, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 111 ILE HA 110 GLU HN 5.50 (# 1744:10 Unique 4.51, 4.70 A)
&rst
ixpk= 1744, nxpk= 10, iat=1807,1790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1745 110 GLU HN 5.50 (# 1745:10 Single Ambig)
&rst
ixpk= 1745, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1772,1773,1772,1773,
&end
#
# 110 GLU HG+ 110 GLU HN 3.50 (# 1746:10 Unique 2.31, 3.52 A)
&rst
ixpk= 1746, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1797,1798,
&end
#
# 110 GLU HG- 110 GLU HN 3.50 (# 1747:10 Unique 2.31, 3.52 A)
&rst
ixpk= 1747, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1797,1798,
&end
#
# 110 GLU HB+ 110 GLU HN 3.50 (# 1748:10 Unique 2.19, 2.97 A)
&rst
ixpk= 1748, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1794,1795,
&end
#
# 110 GLU HB- 110 GLU HN 3.50 (# 1749:10 Unique 2.19, 2.97 A)
&rst
ixpk= 1749, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1794,1795,
&end
#
# 109 ALA MB 110 GLU HN 3.50 (# 1750:10 Unique 2.59, 3.54 A)
&rst
ixpk= 1750, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1784,1785,1786,
&end
#
# 111 ILE HG1- 110 GLU HN 5.50 (# 1751:10 Unique 3.39, 5.28 A)
&rst
ixpk= 1751, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,
&end
#
# 0 AMB 10-2:1753 110 GLU HN 4.50 (# 1753:10 Single Ambig)
&rst
ixpk= 1753, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 111 ILE QG2 110 GLU HN 5.50 (# 1754:10 Unique 5.17, 6.38 A)
&rst
ixpk= 1754, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1811,1812,1813,
&end
#
# 111 ILE QD1 110 GLU HN 5.50 (# 1755:10 Unique 3.64, 5.61 A)
&rst
ixpk= 1755, nxpk= 10, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1818,1819,1820,
&end
#
# 111 ILE QD1 111 ILE HN 4.50 (# 1756:10 Unique 2.24, 4.18 A)
&rst
ixpk= 1756, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1818,1819,1820,
&end
#
# 111 ILE QG2 111 ILE HN 4.50 (# 1757:10 Unique 3.12, 4.31 A)
&rst
ixpk= 1757, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1811,1812,1813,
&end
#
# 111 ILE HG1+ 111 ILE HN 5.50 (# 1758:10 Unique 1.88, 3.51 A)
&rst
ixpk= 1758, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,
&end
#
# 0 AMB 10-2:1759 111 ILE HN 5.50 (# 1759:10 Single Ambig)
&rst
ixpk= 1759, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 0 AMB 10-2:1760 111 ILE HN 5.50 (# 1760:10 Single Ambig)
&rst
ixpk= 1760, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 104 LEU MDY 111 ILE HN 5.50 (# 1761:10 Unique 4.39, 6.44 A)
&rst
ixpk= 1761, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 111 ILE HG1- 111 ILE HN 4.50 (# 1762:10 Unique 1.88, 3.51 A)
&rst
ixpk= 1762, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1815,1816,
&end
#
# 111 ILE HB 111 ILE HN 3.50 (# 1763:10 Unique 2.11, 2.33 A)
&rst
ixpk= 1763, nxpk= 10, iat=1809,1805, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 GLU HB- 111 ILE HN 5.50 (# 1764:10 Unique 2.63, 3.64 A)
&rst
ixpk= 1764, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1794,1795,
&end
#
# 110 GLU HB+ 111 ILE HN 5.50 (# 1765:10 Unique 2.63, 3.64 A)
&rst
ixpk= 1765, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1794,1795,
&end
#
# 110 GLU HG- 111 ILE HN 5.50 (# 1766:10 Unique 2.36, 4.67 A)
&rst
ixpk= 1766, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1797,1798,
&end
#
# 0 AMB 10-2:1767 111 ILE HN 5.50 (# 1767:10 Single Ambig)
&rst
ixpk= 1767, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1772,1773,1772,1773,
&end
#
# 111 ILE HA 111 ILE HN 5.50 (# 1768:10 Unique 2.69, 2.76 A)
&rst
ixpk= 1768, nxpk= 10, iat=1807,1805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLU HA 111 ILE HN 4.50 (# 1769:10 Unique 3.12, 3.39 A)
&rst
ixpk= 1769, nxpk= 10, iat=1792,1805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1770 111 ILE HN 4.50 (# 1770:10 Single Ambig)
&rst
ixpk= 1770, nxpk= 10, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1770,1782,
&end
#
# 110 GLU HN 111 ILE HN 4.50 (# 1773:10 Unique 2.07, 2.20 A)
&rst
ixpk= 1773, nxpk= 10, iat=1790,1805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 ASN HN 111 ILE HN 5.50 (# 1774:10 Unique 4.26, 4.53 A)
&rst
ixpk= 1774, nxpk= 10, iat=1824,1805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ALA HN 111 ILE HN 5.50 (# 1775:10 Unique 3.37, 3.83 A)
&rst
ixpk= 1775, nxpk= 10, iat=1780,1805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 MET HN 112 ASN HN 5.50 (# 1776:10 Unique 2.01, 2.92 A)
&rst
ixpk= 1776, nxpk= 10, iat=1838,1824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1777 112 ASN HN 5.50 (# 1777:10 Single Ambig)
&rst
ixpk= 1777, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1833,1834, 905,
&end
#
# 111 ILE HN 112 ASN HN 5.50 (# 1779:10 Unique 4.26, 4.53 A)
&rst
ixpk= 1779, nxpk= 10, iat=1805,1824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1782 112 ASN HN 5.50 (# 1782:10 Single Ambig)
&rst
ixpk= 1782, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1840,1770,
&end
#
# 59 GLY HA+ 112 ASN HN 5.50 (# 1783:10 Unique 2.65, 4.17 A)
&rst
ixpk= 1783, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 907, 908,
&end
#
# 111 ILE HA 112 ASN HN 3.50 (# 1784:10 Unique 2.14, 2.19 A)
&rst
ixpk= 1784, nxpk= 10, iat=1807,1824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 ASN HB- 112 ASN HN 3.50 (# 1785:10 Unique 2.25, 3.03 A)
&rst
ixpk= 1785, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1828,1829,
&end
#
# 58 VAL HB 112 ASN HN 5.50 (# 1786:10 Unique 2.88, 4.11 A)
&rst
ixpk= 1786, nxpk= 10, iat= 893,1824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1787 112 ASN HN 5.50 (# 1787:10 Single Ambig)
&rst
ixpk= 1787, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1842,1843,1842,1843,1849,1850,1851,1794,1795,
&end
#
# 111 ILE HB 112 ASN HN 5.50 (# 1788:10 Unique 4.02, 4.31 A)
&rst
ixpk= 1788, nxpk= 10, iat=1809,1824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1789 112 ASN HN 4.50 (# 1789:10 Single Ambig)
&rst
ixpk= 1789, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 0 AMB 10-2:1790 112 ASN HN 5.50 (# 1790:10 Single Ambig)
&rst
ixpk= 1790, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927,
&end
#
# 111 ILE HG1+ 112 ASN HN 5.50 (# 1791:10 Unique 2.55, 4.16 A)
&rst
ixpk= 1791, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,
&end
#
# 111 ILE QG2 112 ASN HN 4.50 (# 1792:10 Unique 2.13, 3.68 A)
&rst
ixpk= 1792, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1811,1812,1813,
&end
#
# 111 ILE QD1 112 ASN HN 5.50 (# 1793:10 Unique 3.72, 5.47 A)
&rst
ixpk= 1793, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1818,1819,1820,
&end
#
# 111 ILE HG1- 112 ASN HN 5.50 (# 1794:10 Unique 2.55, 4.16 A)
&rst
ixpk= 1794, nxpk= 10, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1815,1816,
&end
#
# 0 AMB 10-2:1795 113 MET HN 3.50 (# 1795:10 Single Ambig)
&rst
ixpk= 1795, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1824,1855,
&end
#
# 115 THR HN 113 MET HN 5.50 (# 1796:10 Unique 3.44, 3.97 A)
&rst
ixpk= 1796, nxpk= 10, iat=1872,1838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLY HN 113 MET HN 5.50 (# 1797:10 Unique 3.26, 4.94 A)
&rst
ixpk= 1797, nxpk= 10, iat= 905,1838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1798 113 MET HN 5.50 (# 1798:10 Single Ambig)
&rst
ixpk= 1798, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1857, 876, 914,
&end
#
# 113 MET HA 113 MET HN 4.50 (# 1800:10 Unique 2.27, 2.56 A)
&rst
ixpk= 1800, nxpk= 10, iat=1840,1838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 ILE HA 113 MET HN 5.50 (# 1801:10 Unique 3.79, 4.63 A)
&rst
ixpk= 1801, nxpk= 10, iat=1807,1838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1802 113 MET HN 3.50 (# 1802:10 Single Ambig)
&rst
ixpk= 1802, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1828,1829,1828,1829,
&end
#
# 113 MET HG- 113 MET HN 2.80 (# 1803:10 Unique 2.12, 3.03 A)
&rst
ixpk= 1803, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1845,1846,
&end
#
# 0 AMB 10-2:1804 113 MET HN 5.50 (# 1804:10 Single Ambig)
&rst
ixpk= 1804, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1862,1863,1862,1863,1859,1860,
&end
#
# 114 GLN HB- 113 MET HN 5.50 (# 1805:10 Unique 3.95, 5.56 A)
&rst
ixpk= 1805, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1859,1860,
&end
#
# 0 AMB 10-2:1806 113 MET HN 4.50 (# 1806:10 Single Ambig)
&rst
ixpk= 1806, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1842,1843,1842,1843,
&end
#
# 0 AMB 10-2:1807 113 MET HN 5.50 (# 1807:10 Single Ambig)
&rst
ixpk= 1807, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,1878,1879,1880,
&end
#
# 111 ILE QG2 113 MET HN 5.50 (# 1808:10 Unique 1.94, 4.06 A)
&rst
ixpk= 1808, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1811,1812,1813,
&end
#
# 113 MET HN 115 THR HN 5.50 (# 1810:10 Unique 3.44, 3.97 A)
&rst
ixpk= 1810, nxpk= 10, iat=1838,1872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 GLN HN 115 THR HN 2.80 (# 1811:10 Unique 1.80, 2.25 A)
&rst
ixpk= 1811, nxpk= 10, iat=1855,1872, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 SER HN 115 THR HN 2.80 (# 1812:10 Unique 2.45, 2.69 A)
&rst
ixpk= 1812, nxpk= 10, iat=1886,1872, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 PHE HE 115 THR HN 5.50 (# 1813:10 Unique 5.50,10.16 A)
&rst
ixpk= 1813, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 849, 853,
&end
#
# 112 ASN HD2- 115 THR HN 5.50 (# 1815:10 Unique 1.90, 5.01 A)
&rst
ixpk= 1815, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1833,1834,
&end
#
# 114 GLN HA 115 THR HN 2.80 (# 1817:10 Unique 2.79, 3.03 A)
&rst
ixpk= 1817, nxpk= 10, iat=1857,1872, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 113 MET HA 115 THR HN 5.50 (# 1818:10 Unique 3.52, 3.86 A)
&rst
ixpk= 1818, nxpk= 10, iat=1840,1872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 THR HA 115 THR HN 2.80 (# 1819:10 Unique 2.75, 2.79 A)
&rst
ixpk= 1819, nxpk= 10, iat=1874,1872, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 SER HB- 115 THR HN 5.50 (# 1820:10 Unique 4.71, 5.13 A)
&rst
ixpk= 1820, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1890,1891,
&end
#
# 119 PRO HD+ 115 THR HN 5.50 (# 1821:10 Unique 4.35, 5.16 A)
&rst
ixpk= 1821, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1923,1924,
&end
#
# 113 MET HG+ 115 THR HN 5.50 (# 1823:10 Unique 5.61, 6.23 A)
&rst
ixpk= 1823, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1845,1846,
&end
#
# 0 AMB 10-2:1824 115 THR HN 3.50 (# 1824:10 Single Ambig)
&rst
ixpk= 1824, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1859,1860,1862,1863,1862,1863,
&end
#
# 0 AMB 10-2:1825 115 THR HN 4.50 (# 1825:10 Single Ambig)
&rst
ixpk= 1825, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1859,1860,1929,1930,
&end
#
# 119 PRO HG+ 115 THR HN 5.50 (# 1826:10 Unique 3.10, 4.66 A)
&rst
ixpk= 1826, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1926,1927,
&end
#
# 119 PRO HG- 115 THR HN 5.50 (# 1827:10 Unique 3.10, 4.66 A)
&rst
ixpk= 1827, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1926,1927,
&end
#
# 115 THR MG2 115 THR HN 4.50 (# 1828:10 Unique 1.97, 3.31 A)
&rst
ixpk= 1828, nxpk= 10, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1878,1879,1880,
&end
#
# 115 THR MG2 116 SER HN 4.50 (# 1829:10 Unique 2.14, 3.82 A)
&rst
ixpk= 1829, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1878,1879,1880,
&end
#
# 0 AMB 10-2:1830 116 SER HN 4.50 (# 1830:10 Single Ambig)
&rst
ixpk= 1830, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1929,1930,1859,1860,
&end
#
# 119 PRO HB+ 116 SER HN 5.50 (# 1831:10 Unique 3.08, 4.40 A)
&rst
ixpk= 1831, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1929,1930,
&end
#
# 0 AMB 10-2:1832 116 SER HN 4.50 (# 1832:10 Single Ambig)
&rst
ixpk= 1832, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1859,1860,1862,1863,1862,1863,
&end
#
# 119 PRO HD- 116 SER HN 5.50 (# 1834:10 Unique 2.63, 3.80 A)
&rst
ixpk= 1834, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1923,1924,
&end
#
# 116 SER HB- 116 SER HN 3.50 (# 1835:10 Unique 2.32, 2.71 A)
&rst
ixpk= 1835, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1890,1891,
&end
#
# 116 SER HB+ 116 SER HN 2.80 (# 1836:10 Unique 2.32, 2.71 A)
&rst
ixpk= 1836, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1890,1891,
&end
#
# 0 AMB 10-2:1837 116 SER HN 5.50 (# 1837:10 Single Ambig)
&rst
ixpk= 1837, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1840,1910, 841,
&end
#
# 0 AMB 10-2:1838 116 SER HN 2.80 (# 1838:10 Single Ambig)
&rst
ixpk= 1838, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1888,1857,
&end
#
# 115 THR HN 116 SER HN 2.80 (# 1839:10 Unique 2.45, 2.69 A)
&rst
ixpk= 1839, nxpk= 10, iat=1872,1886, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 SER HN 116 SER HN 4.50 (# 1840:10 Unique 2.15, 2.46 A)
&rst
ixpk= 1840, nxpk= 10, iat=1897,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 SER HN 117 SER HN 4.50 (# 1841:10 Unique 2.15, 2.46 A)
&rst
ixpk= 1841, nxpk= 10, iat=1886,1897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 THR HN 117 SER HN 3.50 (# 1842:10 Unique 3.54, 3.58 A)
&rst
ixpk= 1842, nxpk= 10, iat=1908,1897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1843 117 SER HN 3.50 (# 1843:10 Single Ambig)
&rst
ixpk= 1843, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1888,1857,
&end
#
# 117 SER HA 117 SER HN 2.80 (# 1844:10 Unique 2.29, 2.29 A)
&rst
ixpk= 1844, nxpk= 10, iat=1899,1897, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 SER HB- 117 SER HN 3.50 (# 1845:10 Unique 3.20, 3.52 A)
&rst
ixpk= 1845, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1901,1902,
&end
#
# 0 AMB 10-2:1846 117 SER HN 3.50 (# 1846:10 Single Ambig)
&rst
ixpk= 1846, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1901,1902,1874,1890,1891,
&end
#
# 116 SER HB- 117 SER HN 3.50 (# 1847:10 Unique 3.64, 4.09 A)
&rst
ixpk= 1847, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1890,1891,
&end
#
# 119 PRO HD+ 117 SER HN 5.50 (# 1848:10 Unique 2.76, 3.89 A)
&rst
ixpk= 1848, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1923,1924,
&end
#
# 119 PRO HD- 117 SER HN 5.50 (# 1849:10 Unique 2.76, 3.89 A)
&rst
ixpk= 1849, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1923,1924,
&end
#
# 119 PRO HG+ 117 SER HN 5.50 (# 1850:10 Unique 3.89, 5.26 A)
&rst
ixpk= 1850, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1926,1927,
&end
#
# 118 THR MG2 117 SER HN 5.50 (# 1851:10 Unique 5.60, 6.69 A)
&rst
ixpk= 1851, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1914,1915,1916,
&end
#
# 115 THR MG2 117 SER HN 5.50 (# 1852:10 Unique 4.33, 5.63 A)
&rst
ixpk= 1852, nxpk= 10, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1878,1879,1880,
&end
#
# 118 THR MG2 118 THR HN 4.50 (# 1853:10 Unique 2.46, 4.09 A)
&rst
ixpk= 1853, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1914,1915,1916,
&end
#
# 0 AMB 10-2:1854 0 AMB 10-1:1854 5.50 (# 1854:10 Double Ambig)
&rst
ixpk= 1854, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 418, 419,1926,1927,
igr2= 403,1908,
&end
#
# 119 PRO HG+ 118 THR HN 5.50 (# 1855:10 Unique 4.78, 5.30 A)
&rst
ixpk= 1855, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1926,1927,
&end
#
# 0 AMB 10-2:1856 118 THR HN 5.50 (# 1856:10 Single Ambig)
&rst
ixpk= 1856, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1929,1930,1859,1860,
&end
#
# 119 PRO HB+ 118 THR HN 5.50 (# 1857:10 Unique 4.68, 5.49 A)
&rst
ixpk= 1857, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1929,1930,
&end
#
# 119 PRO HD- 118 THR HN 4.50 (# 1859:10 Unique 2.51, 3.26 A)
&rst
ixpk= 1859, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1923,1924,
&end
#
# 119 PRO HD+ 118 THR HN 4.50 (# 1860:10 Unique 2.51, 3.26 A)
&rst
ixpk= 1860, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1923,1924,
&end
#
# 116 SER HB- 118 THR HN 5.50 (# 1861:10 Unique 3.14, 4.07 A)
&rst
ixpk= 1861, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1890,1891,
&end
#
# 117 SER HB+ 118 THR HN 2.80 (# 1862:10 Unique 2.17, 2.81 A)
&rst
ixpk= 1862, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1901,1902,
&end
#
# 117 SER HB+ 118 THR HN 2.80 (# 1863:10 Unique 2.17, 2.81 A)
&rst
ixpk= 1863, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1901,1902,
&end
#
# 118 THR HA 118 THR HN 3.50 (# 1864:10 Unique 2.86, 2.93 A)
&rst
ixpk= 1864, nxpk= 10, iat=1910,1908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 PHE HE 118 THR HN 5.50 (# 1866:10 Unique 5.02, 6.49 A)
&rst
ixpk= 1866, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 448, 452,
&end
#
# 117 SER HN 118 THR HN 3.50 (# 1867:10 Unique 3.54, 3.58 A)
&rst
ixpk= 1867, nxpk= 10, iat=1897,1908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 PHE HN 120 GLU HN 4.50 (# 1868:10 Unique 1.84, 2.27 A)
&rst
ixpk= 1868, nxpk= 10, iat=1951,1936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HD 120 GLU HN 5.50 (# 1870:10 Unique 2.83, 5.57 A)
&rst
ixpk= 1870, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 446, 454,
&end
#
# 119 PRO HA 120 GLU HN 3.50 (# 1873:10 Unique 2.70, 3.38 A)
&rst
ixpk= 1873, nxpk= 10, iat=1932,1936, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 GLU HA 120 GLU HN 4.50 (# 1874:10 Unique 2.66, 2.82 A)
&rst
ixpk= 1874, nxpk= 10, iat=1938,1936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 SER HB- 120 GLU HN 5.50 (# 1875:10 Unique 4.87, 5.95 A)
&rst
ixpk= 1875, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1890,1891,
&end
#
# 27 ARG HD+ 120 GLU HN 5.50 (# 1876:10 Unique 5.00, 6.33 A)
&rst
ixpk= 1876, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 424, 425,
&end
#
# 0 AMB 10-2:1877 120 GLU HN 5.50 (# 1877:10 Single Ambig)
&rst
ixpk= 1877, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1923,1924,1955,1956,
&end
#
# 119 PRO HD- 120 GLU HN 5.50 (# 1878:10 Unique 2.75, 3.91 A)
&rst
ixpk= 1878, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1923,1924,
&end
#
# 119 PRO HB+ 120 GLU HN 4.50 (# 1879:10 Unique 1.76, 2.95 A)
&rst
ixpk= 1879, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1929,1930,
&end
#
# 0 AMB 10-2:1880 120 GLU HN 5.50 (# 1880:10 Single Ambig)
&rst
ixpk= 1880, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1975,1976,1862,1863,1862,1863,
&end
#
# 0 AMB 10-2:1881 120 GLU HN 4.50 (# 1881:10 Single Ambig)
&rst
ixpk= 1881, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1929,1930, 863, 864,
&end
#
# 120 GLU HB+ 120 GLU HN 4.50 (# 1883:10 Unique 2.35, 3.41 A)
&rst
ixpk= 1883, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1940,1941,
&end
#
# 120 GLU HG+ 120 GLU HN 4.50 (# 1884:10 Unique 2.14, 3.88 A)
&rst
ixpk= 1884, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1943,1944,
&end
#
# 120 GLU HB- 120 GLU HN 4.50 (# 1885:10 Unique 2.35, 3.41 A)
&rst
ixpk= 1885, nxpk= 10, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1940,1941,
&end
#
# 122 ASP HN 121 PHE HN 5.50 (# 1886:10 Unique 4.13, 4.39 A)
&rst
ixpk= 1886, nxpk= 10, iat=1971,1951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 GLU HN 121 PHE HN 4.50 (# 1887:10 Unique 1.84, 2.27 A)
&rst
ixpk= 1887, nxpk= 10, iat=1936,1951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 PHE HA 121 PHE HN 5.50 (# 1889:10 Unique 2.84, 2.93 A)
&rst
ixpk= 1889, nxpk= 10, iat=1953,1951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 PRO HA 121 PHE HN 5.50 (# 1890:10 Unique 4.36, 5.29 A)
&rst
ixpk= 1890, nxpk= 10, iat=1932,1951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 GLU HA 121 PHE HN 5.50 (# 1891:10 Unique 2.62, 3.49 A)
&rst
ixpk= 1891, nxpk= 10, iat=1938,1951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 PHE HB+ 121 PHE HN 5.50 (# 1892:10 Unique 2.57, 3.38 A)
&rst
ixpk= 1892, nxpk= 10, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1955,1956,
&end
#
# 121 PHE HB- 121 PHE HN 5.50 (# 1893:10 Unique 2.57, 3.38 A)
&rst
ixpk= 1893, nxpk= 10, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1955,1956,
&end
#
# 119 PRO HB+ 121 PHE HN 5.50 (# 1894:10 Unique 2.30, 4.19 A)
&rst
ixpk= 1894, nxpk= 10, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1929,1930,
&end
#
# 119 PRO HB- 121 PHE HN 5.50 (# 1895:10 Unique 2.30, 4.19 A)
&rst
ixpk= 1895, nxpk= 10, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1929,1930,
&end
#
# 120 GLU HB+ 121 PHE HN 5.50 (# 1896:10 Unique 2.26, 3.22 A)
&rst
ixpk= 1896, nxpk= 10, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1940,1941,
&end
#
# 0 AMB 10-2:1897 121 PHE HN 5.50 (# 1897:10 Single Ambig)
&rst
ixpk= 1897, nxpk= 10, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1943,1944,1926,1927,
&end
#
# 120 GLU HB- 121 PHE HN 5.50 (# 1898:10 Unique 2.26, 3.22 A)
&rst
ixpk= 1898, nxpk= 10, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1940,1941,
&end
#
# 25 ALA MB 122 ASP HN 5.50 (# 1899:10 Unique 2.85, 4.93 A)
&rst
ixpk= 1899, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 384, 385, 386,
&end
#
# 0 AMB 10-2:1900 122 ASP HN 5.50 (# 1900:10 Single Ambig)
&rst
ixpk= 1900, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1842,1843,1842,1843,
&end
#
# 28 PHE HB- 122 ASP HN 5.50 (# 1901:10 Unique 2.12, 4.38 A)
&rst
ixpk= 1901, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 443,
&end
#
# 122 ASP HB- 122 ASP HN 5.50 (# 1902:10 Unique 2.25, 2.98 A)
&rst
ixpk= 1902, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1976,
&end
#
# 0 AMB 10-2:1903 122 ASP HN 4.50 (# 1903:10 Single Ambig)
&rst
ixpk= 1903, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1955,1956, 400, 401, 400, 401,
&end
#
# 28 PHE HB+ 122 ASP HN 5.50 (# 1904:10 Unique 2.12, 4.38 A)
&rst
ixpk= 1904, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 443,
&end
#
# 121 PHE HB+ 122 ASP HN 5.50 (# 1905:10 Unique 2.14, 3.19 A)
&rst
ixpk= 1905, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1955,1956,
&end
#
# 28 PHE HA 122 ASP HN 5.50 (# 1906:10 Unique 2.83, 4.00 A)
&rst
ixpk= 1906, nxpk= 10, iat= 440,1971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HA 122 ASP HN 5.50 (# 1907:10 Unique 3.08, 3.64 A)
&rst
ixpk= 1907, nxpk= 10, iat= 416,1971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASP HA 122 ASP HN 4.50 (# 1908:10 Unique 2.85, 2.91 A)
&rst
ixpk= 1908, nxpk= 10, iat=1973,1971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 PHE HA 122 ASP HN 4.50 (# 1909:10 Unique 2.16, 2.35 A)
&rst
ixpk= 1909, nxpk= 10, iat=1953,1971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 GLY HN 122 ASP HN 4.50 (# 1911:10 Unique 1.64, 2.44 A)
&rst
ixpk= 1911, nxpk= 10, iat=1983,1971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HN 122 ASP HN 5.50 (# 1912:10 Unique 1.89, 3.19 A)
&rst
ixpk= 1912, nxpk= 10, iat= 438,1971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 PHE HN 122 ASP HN 5.50 (# 1914:10 Unique 4.13, 4.39 A)
&rst
ixpk= 1914, nxpk= 10, iat=1951,1971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASP HN 123 GLY HN 4.50 (# 1915:10 Unique 1.64, 2.44 A)
&rst
ixpk= 1915, nxpk= 10, iat=1971,1983, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1917 123 GLY HN 5.50 (# 1917:10 Single Ambig)
&rst
ixpk= 1917, nxpk= 10, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1990,1855,
&end
#
# 121 PHE HA 123 GLY HN 5.50 (# 1919:10 Unique 3.67, 4.16 A)
&rst
ixpk= 1919, nxpk= 10, iat=1953,1983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASP HA 123 GLY HN 5.50 (# 1920:10 Unique 2.53, 3.05 A)
&rst
ixpk= 1920, nxpk= 10, iat=1973,1983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 GLY HA+ 123 GLY HN 4.50 (# 1921:10 Unique 2.29, 2.57 A)
&rst
ixpk= 1921, nxpk= 10, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1985,1986,
&end
#
# 123 GLY HA- 123 GLY HN 4.50 (# 1922:10 Unique 2.29, 2.57 A)
&rst
ixpk= 1922, nxpk= 10, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1985,1986,
&end
#
# 121 PHE HB+ 123 GLY HN 5.50 (# 1923:10 Unique 2.34, 3.46 A)
&rst
ixpk= 1923, nxpk= 10, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1955,1956,
&end
#
# 0 AMB 10-2:1924 123 GLY HN 5.50 (# 1924:10 Single Ambig)
&rst
ixpk= 1924, nxpk= 10, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1955,1956, 400, 401, 400, 401,
&end
#
# 122 ASP HB+ 123 GLY HN 5.50 (# 1925:10 Unique 1.95, 4.11 A)
&rst
ixpk= 1925, nxpk= 10, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1976,
&end
#
# 122 ASP HB- 123 GLY HN 5.50 (# 1926:10 Unique 1.95, 4.11 A)
&rst
ixpk= 1926, nxpk= 10, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1976,
&end
#
# 0 AMB 10-2:1927 123 GLY HN 5.50 (# 1927:10 Single Ambig)
&rst
ixpk= 1927, nxpk= 10, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1842,1843,1842,1843,1849,1850,1851,
&end
#
# 0 AMB 10-2:1928 123 GLY HN 5.50 (# 1928:10 Single Ambig)
&rst
ixpk= 1928, nxpk= 10, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 394, 395, 394, 395,
&end
#
# 25 ALA MB 123 GLY HN 5.50 (# 1929:10 Unique 1.92, 3.54 A)
&rst
ixpk= 1929, nxpk= 10, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 384, 385, 386,
&end
#
# 125 ARG HN 124 TRP HN 5.50 (# 1931:10 Unique 1.60, 2.18 A)
&rst
ixpk= 1931, nxpk= 10, iat=2014,1990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 GLY HN 124 TRP HN 5.50 (# 1934:10 Unique 4.01, 4.38 A)
&rst
ixpk= 1934, nxpk= 10, iat=1983,1990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 TRP HA 124 TRP HN 5.50 (# 1938:10 Unique 2.66, 2.77 A)
&rst
ixpk= 1938, nxpk= 10, iat=1992,1990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HA 124 TRP HN 5.50 (# 1939:10 Unique 2.76, 3.18 A)
&rst
ixpk= 1939, nxpk= 10, iat= 382,1990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 GLY HA+ 124 TRP HN 2.80 (# 1940:10 Unique 2.18, 2.58 A)
&rst
ixpk= 1940, nxpk= 10, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1985,1986,
&end
#
# 123 GLY HA- 124 TRP HN 3.50 (# 1941:10 Unique 2.18, 2.58 A)
&rst
ixpk= 1941, nxpk= 10, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1985,1986,
&end
#
# 124 TRP HB- 124 TRP HN 5.50 (# 1942:10 Unique 2.75, 3.73 A)
&rst
ixpk= 1942, nxpk= 10, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1994,1995,
&end
#
# 124 TRP HB+ 124 TRP HN 5.50 (# 1943:10 Unique 2.75, 3.73 A)
&rst
ixpk= 1943, nxpk= 10, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1994,1995,
&end
#
# 113 MET HG- 124 TRP HN 5.50 (# 1944:10 Unique 4.04, 5.94 A)
&rst
ixpk= 1944, nxpk= 10, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1845,1846,
&end
#
# 113 MET ME 124 TRP HN 5.50 (# 1945:10 Unique 2.32, 4.18 A)
&rst
ixpk= 1945, nxpk= 10, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1849,1850,1851,
&end
#
# 0 AMB 10-2:1946 124 TRP HN 5.50 (# 1946:10 Single Ambig)
&rst
ixpk= 1946, nxpk= 10, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 394, 395, 394, 395,
&end
#
# 25 ALA MB 124 TRP HN 5.50 (# 1947:10 Unique 2.54, 5.02 A)
&rst
ixpk= 1947, nxpk= 10, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 384, 385, 386,
&end
#
# 111 ILE QG2 124 TRP HN 5.50 (# 1948:10 Unique 4.88, 6.65 A)
&rst
ixpk= 1948, nxpk= 10, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1811,1812,1813,
&end
#
# 24 TRP HN 125 ARG HN 5.50 (# 1949:10 Unique 3.79, 4.78 A)
&rst
ixpk= 1949, nxpk= 10, iat= 356,2014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 TRP HN 125 ARG HN 5.50 (# 1950:10 Unique 4.07, 4.32 A)
&rst
ixpk= 1950, nxpk= 10, iat=2038,2014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 TRP HN 125 ARG HN 5.50 (# 1951:10 Unique 1.60, 2.18 A)
&rst
ixpk= 1951, nxpk= 10, iat=1990,2014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1952 125 ARG HN 5.50 (# 1952:10 Single Ambig)
&rst
ixpk= 1952, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 390, 380,
&end
#
# 33 TRP HH2 125 ARG HN 5.50 (# 1953:10 Unique 3.05, 3.77 A)
&rst
ixpk= 1953, nxpk= 10, iat= 525,2014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 TRP HA 125 ARG HN 5.50 (# 1957:10 Unique 2.49, 3.04 A)
&rst
ixpk= 1957, nxpk= 10, iat=1992,2014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HA 125 ARG HN 5.50 (# 1958:10 Unique 2.98, 4.09 A)
&rst
ixpk= 1958, nxpk= 10, iat= 382,2014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 GLY HA+ 125 ARG HN 5.50 (# 1959:10 Unique 3.60, 4.52 A)
&rst
ixpk= 1959, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1985,1986,
&end
#
# 125 ARG HA 125 ARG HN 5.50 (# 1960:10 Unique 2.83, 2.88 A)
&rst
ixpk= 1960, nxpk= 10, iat=2016,2014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 TRP HB+ 125 ARG HN 5.50 (# 1961:10 Unique 1.82, 4.03 A)
&rst
ixpk= 1961, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1994,1995,
&end
#
# 124 TRP HB- 125 ARG HN 5.50 (# 1962:10 Unique 1.82, 4.03 A)
&rst
ixpk= 1962, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1994,1995,
&end
#
# 113 MET ME 125 ARG HN 5.50 (# 1964:10 Unique 3.09, 4.80 A)
&rst
ixpk= 1964, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1849,1850,1851,
&end
#
# 125 ARG HG- 125 ARG HN 5.50 (# 1966:10 Unique 2.58, 4.15 A)
&rst
ixpk= 1966, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2021,2022,
&end
#
# 25 ALA MB 125 ARG HN 5.50 (# 1967:10 Unique 3.86, 6.04 A)
&rst
ixpk= 1967, nxpk= 10, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 384, 385, 386,
&end
#
# 126 TRP HE1 126 TRP HN 5.50 (# 1968:10 Unique 4.16, 4.81 A)
&rst
ixpk= 1968, nxpk= 10, iat=2048,2038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 TRP HD1 126 TRP HN 4.50 (# 1969:10 Unique 2.34, 3.58 A)
&rst
ixpk= 1969, nxpk= 10, iat=2046,2038, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 TRP HA 126 TRP HN 5.50 (# 1972:10 Unique 2.88, 2.92 A)
&rst
ixpk= 1972, nxpk= 10, iat=2040,2038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ARG HA 126 TRP HN 3.50 (# 1973:10 Unique 2.16, 2.30 A)
&rst
ixpk= 1973, nxpk= 10, iat=2016,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ASP HB+ 2 ILE HN 5.50 (# 1974:10 Unique 4.87, 6.17 A)
&rst
ixpk= 1974, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 44, 45,
&end
#
# 0 AMB 10-2:1975 126 TRP HN 3.50 (# 1975:10 Single Ambig)
&rst
ixpk= 1975, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2042,2043,2042,2043,
&end
#
# 125 ARG HB+ 126 TRP HN 4.50 (# 1976:10 Unique 2.14, 3.71 A)
&rst
ixpk= 1976, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2018,2019,
&end
#
# 125 ARG HG- 126 TRP HN 5.50 (# 1977:10 Unique 2.08, 3.30 A)
&rst
ixpk= 1977, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2021,2022,
&end
#
# 127 VAL MGY 126 TRP HN 5.50 (# 1978:10 Unique 4.67, 6.63 A)
&rst
ixpk= 1978, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 22 VAL HN 127 VAL HN 5.50 (# 1979:10 Unique 2.48, 3.30 A)
&rst
ixpk= 1979, nxpk= 10, iat= 323,2062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 TRP HN 127 VAL HN 5.50 (# 1980:10 Unique 4.43, 4.53 A)
&rst
ixpk= 1980, nxpk= 10, iat=2038,2062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1981 127 VAL HN 5.50 (# 1981:10 Single Ambig)
&rst
ixpk= 1981, nxpk= 10, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2078, 299,
&end
#
# 126 TRP HA 127 VAL HN 4.50 (# 1985:10 Unique 2.41, 2.49 A)
&rst
ixpk= 1985, nxpk= 10, iat=2040,2062, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 MET HA 127 VAL HN 5.50 (# 1987:10 Unique 4.47, 5.06 A)
&rst
ixpk= 1987, nxpk= 10, iat= 341,2062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1988 127 VAL HN 4.50 (# 1988:10 Single Ambig)
&rst
ixpk= 1988, nxpk= 10, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2042,2043,2042,2043,
&end
#
# 21 GLN HB+ 127 VAL HN 5.50 (# 1989:10 Unique 1.95, 3.58 A)
&rst
ixpk= 1989, nxpk= 10, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 310, 311,
&end
#
# 127 VAL HB 127 VAL HN 5.50 (# 1991:10 Unique 3.12, 3.69 A)
&rst
ixpk= 1991, nxpk= 10, iat=2066,2062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 VAL MGX 127 VAL HN 5.50 (# 1992:10 Unique 2.84, 5.86 A)
&rst
ixpk= 1992, nxpk= 10, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 127 VAL MGX 127 VAL HN 4.50 (# 1993:10 Unique 2.13, 3.70 A)
&rst
ixpk= 1993, nxpk= 10, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL MGY 127 VAL HN 4.50 (# 1994:10 Unique 2.13, 3.70 A)
&rst
ixpk= 1994, nxpk= 10, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL HN 128 SER HN 5.50 (# 1995:10 Unique 4.17, 4.38 A)
&rst
ixpk= 1995, nxpk= 10, iat=2062,2078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 TYR HD 128 SER HN 5.50 (# 1996:10 Unique 1.95, 4.63 A)
&rst
ixpk= 1996, nxpk= 10, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2142,2151,
&end
#
# 128 SER HA 128 SER HN 5.50 (# 1998:10 Unique 2.72, 2.77 A)
&rst
ixpk= 1998, nxpk= 10, iat=2080,2078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1999 128 SER HN 3.50 (# 1999:10 Single Ambig)
&rst
ixpk= 1999, nxpk= 10, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2082,2083,2082,2083,
&end
#
# 131 TYR HB- 128 SER HN 5.50 (# 2000:10 Unique 2.55, 3.40 A)
&rst
ixpk= 2000, nxpk= 10, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2138,2139,
&end
#
# 127 VAL HB 128 SER HN 4.50 (# 2001:10 Unique 1.90, 2.81 A)
&rst
ixpk= 2001, nxpk= 10, iat=2066,2078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 VAL MGX 128 SER HN 4.50 (# 2002:10 Unique 1.94, 4.11 A)
&rst
ixpk= 2002, nxpk= 10, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL MGY 128 SER HN 4.50 (# 2003:10 Unique 1.94, 4.11 A)
&rst
ixpk= 2003, nxpk= 10, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 22 VAL MGY 129 TYR HN 5.50 (# 2004:10 Unique 4.08, 7.03 A)
&rst
ixpk= 2004, nxpk= 10, iat= -1,2089, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 129 TYR HB- 129 TYR HN 4.50 (# 2006:10 Unique 2.08, 2.68 A)
&rst
ixpk= 2006, nxpk= 10, iat= -1,2089, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2093,2094,
&end
#
# 129 TYR HB+ 129 TYR HN 4.50 (# 2007:10 Unique 2.08, 2.68 A)
&rst
ixpk= 2007, nxpk= 10, iat= -1,2089, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2093,2094,
&end
#
# 129 TYR HA 129 TYR HN 4.50 (# 2008:10 Unique 2.27, 2.84 A)
&rst
ixpk= 2008, nxpk= 10, iat=2091,2089, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2009 129 TYR HN 4.50 (# 2009:10 Single Ambig)
&rst
ixpk= 2009, nxpk= 10, iat= -1,2089, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2082,2083,2082,2083,
&end
#
# 128 SER HA 129 TYR HN 4.50 (# 2010:10 Unique 2.20, 2.46 A)
&rst
ixpk= 2010, nxpk= 10, iat=2080,2089, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 TYR HD 129 TYR HN 4.50 (# 2012:10 Unique 3.16, 4.60 A)
&rst
ixpk= 2012, nxpk= 10, iat= -1,2089, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2097,2106,
&end
#
# 130 TRP HN 129 TYR HN 5.50 (# 2013:10 Unique 2.22, 3.31 A)
&rst
ixpk= 2013, nxpk= 10, iat=2110,2089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TRP HE1 130 TRP HN 5.50 (# 2014:10 Unique 4.26, 5.06 A)
&rst
ixpk= 2014, nxpk= 10, iat=2120,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 TYR HN 130 TRP HN 5.50 (# 2015:10 Unique 2.22, 3.31 A)
&rst
ixpk= 2015, nxpk= 10, iat=2089,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TRP HD1 130 TRP HN 5.50 (# 2016:10 Unique 2.37, 3.60 A)
&rst
ixpk= 2016, nxpk= 10, iat=2118,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 TYR HD 130 TRP HN 5.50 (# 2017:10 Unique 1.76, 4.62 A)
&rst
ixpk= 2017, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2097,2106,
&end
#
# 130 TRP HA 130 TRP HN 5.50 (# 2018:10 Unique 2.28, 2.67 A)
&rst
ixpk= 2018, nxpk= 10, iat=2112,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2019 130 TRP HN 5.50 (# 2019:10 Single Ambig)
&rst
ixpk= 2019, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2082,2083,2082,2083,
&end
#
# 129 TYR HA 130 TRP HN 5.50 (# 2020:10 Unique 2.20, 2.94 A)
&rst
ixpk= 2020, nxpk= 10, iat=2091,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2021 130 TRP HN 5.50 (# 2021:10 Single Ambig)
&rst
ixpk= 2021, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2156,2157,2114,2115,
&end
#
# 130 TRP HB- 130 TRP HN 4.50 (# 2022:10 Unique 2.70, 3.55 A)
&rst
ixpk= 2022, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2114,2115,
&end
#
# 129 TYR HB- 130 TRP HN 5.50 (# 2023:10 Unique 2.11, 3.58 A)
&rst
ixpk= 2023, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2093,2094,
&end
#
# 130 TRP HN 131 TYR HN 4.50 (# 2025:10 Unique 1.65, 2.36 A)
&rst
ixpk= 2025, nxpk= 10, iat=2110,2134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 TYR HD 131 TYR HN 4.50 (# 2026:10 Unique 4.16, 4.66 A)
&rst
ixpk= 2026, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2142,2151,
&end
#
# 130 TRP HA 131 TYR HN 5.50 (# 2027:10 Unique 2.88, 3.24 A)
&rst
ixpk= 2027, nxpk= 10, iat=2112,2134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 TYR HA 131 TYR HN 4.50 (# 2028:10 Unique 2.83, 2.86 A)
&rst
ixpk= 2028, nxpk= 10, iat=2136,2134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2029 131 TYR HN 5.50 (# 2029:10 Single Ambig)
&rst
ixpk= 2029, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2082,2083,2082,2083,
&end
#
# 132 PRO HD+ 131 TYR HN 5.50 (# 2030:10 Unique 1.64, 2.26 A)
&rst
ixpk= 2030, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2156,2157,
&end
#
# 132 PRO HD- 131 TYR HN 4.50 (# 2031:10 Unique 1.64, 2.26 A)
&rst
ixpk= 2031, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2156,2157,
&end
#
# 130 TRP HB- 131 TYR HN 5.50 (# 2032:10 Unique 2.93, 3.99 A)
&rst
ixpk= 2032, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2114,2115,
&end
#
# 0 AMB 10-2:2033 131 TYR HN 4.50 (# 2033:10 Single Ambig)
&rst
ixpk= 2033, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2138,2139,2138,2139,
&end
#
# 0 AMB 10-2:2034 131 TYR HN 5.50 (# 2034:10 Single Ambig)
&rst
ixpk= 2034, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2159,2160,2066,
&end
#
# 0 AMB 10-2:2035 131 TYR HN 5.50 (# 2035:10 Single Ambig)
&rst
ixpk= 2035, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2459,2460,2461,2162,2163,
&end
#
# 133 VAL MGY 131 TYR HN 5.50 (# 2036:10 Unique 3.62, 6.03 A)
&rst
ixpk= 2036, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 127 VAL MGX 131 TYR HN 5.50 (# 2037:10 Unique 3.30, 6.11 A)
&rst
ixpk= 2037, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 127 VAL MGY 131 TYR HN 5.50 (# 2038:10 Unique 3.30, 6.11 A)
&rst
ixpk= 2038, nxpk= 10, iat= -1,2134, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 134 ARG HN 133 VAL HN 3.50 (# 2040:10 Unique 2.34, 2.64 A)
&rst
ixpk= 2040, nxpk= 10, iat=2185,2169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 TYR HD 133 VAL HN 5.50 (# 2041:10 Unique 4.35, 5.64 A)
&rst
ixpk= 2041, nxpk= 10, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2142,2151,
&end
#
# 130 TRP HA 133 VAL HN 5.50 (# 2043:10 Unique 3.35, 3.54 A)
&rst
ixpk= 2043, nxpk= 10, iat=2112,2169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2044 133 VAL HN 5.50 (# 2044:10 Single Ambig)
&rst
ixpk= 2044, nxpk= 10, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2187,2211,
&end
#
# 133 VAL HA 133 VAL HN 4.50 (# 2045:10 Unique 2.73, 2.81 A)
&rst
ixpk= 2045, nxpk= 10, iat=2171,2169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 PRO HA 133 VAL HN 4.50 (# 2046:10 Unique 3.23, 3.35 A)
&rst
ixpk= 2046, nxpk= 10, iat=2165,2169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 VAL HB 133 VAL HN 3.50 (# 2047:10 Unique 2.28, 2.57 A)
&rst
ixpk= 2047, nxpk= 10, iat=2173,2169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2048 133 VAL HN 5.50 (# 2048:10 Single Ambig)
&rst
ixpk= 2048, nxpk= 10, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2192,2193,2391,2392,
&end
#
# 0 AMB 10-2:2049 133 VAL HN 4.50 (# 2049:10 Single Ambig)
&rst
ixpk= 2049, nxpk= 10, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2459,2460,2461,2162,2163,
&end
#
# 0 AMB 10-2:2050 133 VAL HN 2.80 (# 2050:10 Single Ambig)
&rst
ixpk= 2050, nxpk= 10, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2175,2176,2177,2179,2180,2181,2175,2176,2177,2179,
2180,2181,
&end
#
# 0 AMB 10-2:2051 133 VAL HN 5.50 (# 2051:10 Single Ambig)
&rst
ixpk= 2051, nxpk= 10, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2232,2233,2234,2236,2237,2238,2068,2069,2070,2072,
2073,2074,
&end
#
# 136 VAL HN 134 ARG HN 5.50 (# 2053:10 Unique 3.61, 4.03 A)
&rst
ixpk= 2053, nxpk= 10, iat=2226,2185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 VAL HN 134 ARG HN 3.50 (# 2054:10 Unique 2.34, 2.64 A)
&rst
ixpk= 2054, nxpk= 10, iat=2169,2185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 ARG HA 134 ARG HN 3.50 (# 2055:10 Unique 2.90, 2.94 A)
&rst
ixpk= 2055, nxpk= 10, iat=2187,2185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 VAL HA 134 ARG HN 5.50 (# 2056:10 Unique 3.31, 3.41 A)
&rst
ixpk= 2056, nxpk= 10, iat=2171,2185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2057 134 ARG HN 5.50 (# 2057:10 Single Ambig)
&rst
ixpk= 2057, nxpk= 10, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2195,2196,2195,2196,
&end
#
# 132 PRO HA 134 ARG HN 5.50 (# 2058:10 Unique 3.24, 3.43 A)
&rst
ixpk= 2058, nxpk= 10, iat=2165,2185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 VAL HB 134 ARG HN 4.50 (# 2060:10 Unique 2.86, 3.30 A)
&rst
ixpk= 2060, nxpk= 10, iat=2173,2185, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 ARG HB+ 134 ARG HN 3.50 (# 2061:10 Unique 2.46, 3.24 A)
&rst
ixpk= 2061, nxpk= 10, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2189,2190,
&end
#
# 0 AMB 10-2:2062 134 ARG HN 4.50 (# 2062:10 Single Ambig)
&rst
ixpk= 2062, nxpk= 10, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2192,2193,2216,2217,
&end
#
# 134 ARG HG+ 134 ARG HN 4.50 (# 2063:10 Unique 2.39, 3.70 A)
&rst
ixpk= 2063, nxpk= 10, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2192,2193,
&end
#
# 135 GLN HG- 134 ARG HN 5.50 (# 2064:10 Unique 3.21, 5.22 A)
&rst
ixpk= 2064, nxpk= 10, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2216,2217,
&end
#
# 0 AMB 10-2:2065 134 ARG HN 4.50 (# 2065:10 Single Ambig)
&rst
ixpk= 2065, nxpk= 10, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2175,2176,2177,2179,2180,2181,2175,2176,2177,2179,
2180,2181,
&end
#
# 136 VAL MGX 134 ARG HN 5.50 (# 2066:10 Unique 4.11, 6.37 A)
&rst
ixpk= 2066, nxpk= 10, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL HN 135 GLN HN 4.50 (# 2067:10 Unique 2.04, 2.27 A)
&rst
ixpk= 2067, nxpk= 10, iat=2226,2209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 GLN HE2+ 135 GLN HN 5.50 (# 2068:10 Unique 3.90, 5.59 A)
&rst
ixpk= 2068, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2221,2222,
&end
#
# 134 ARG HN 135 GLN HN 4.50 (# 2069:10 Unique 1.85, 2.04 A)
&rst
ixpk= 2069, nxpk= 10, iat=2185,2209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 TYR HD 135 GLN HN 5.50 (# 2070:10 Unique 4.34, 6.50 A)
&rst
ixpk= 2070, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2142,2151,
&end
#
# 0 AMB 10-2:2071 135 GLN HN 3.50 (# 2071:10 Single Ambig)
&rst
ixpk= 2071, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2211,2187,
&end
#
# 133 VAL HA 135 GLN HN 5.50 (# 2072:10 Unique 4.04, 4.23 A)
&rst
ixpk= 2072, nxpk= 10, iat=2171,2209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2073 135 GLN HN 5.50 (# 2073:10 Single Ambig)
&rst
ixpk= 2073, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2321,2322,2195,2196,2195,2196,
&end
#
# 132 PRO HA 135 GLN HN 5.50 (# 2074:10 Unique 2.60, 2.85 A)
&rst
ixpk= 2074, nxpk= 10, iat=2165,2209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLN HB+ 135 GLN HN 4.50 (# 2076:10 Unique 2.07, 2.84 A)
&rst
ixpk= 2076, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2213,2214,
&end
#
# 0 AMB 10-2:2077 135 GLN HN 5.50 (# 2077:10 Single Ambig)
&rst
ixpk= 2077, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2189,2190,2315,2316,
&end
#
# 0 AMB 10-2:2078 135 GLN HN 4.50 (# 2078:10 Single Ambig)
&rst
ixpk= 2078, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2216,2217,2318,2319,
&end
#
# 0 AMB 10-2:2079 135 GLN HN 4.50 (# 2079:10 Single Ambig)
&rst
ixpk= 2079, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2192,2193,2159,2160,
&end
#
# 0 AMB 10-2:2080 135 GLN HN 5.50 (# 2080:10 Single Ambig)
&rst
ixpk= 2080, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2459,2460,2461, 514, 515,
&end
#
# 0 AMB 10-2:2081 135 GLN HN 5.50 (# 2081:10 Single Ambig)
&rst
ixpk= 2081, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2162,2163,2175,2176,2177,2179,2180,2181,
&end
#
# 136 VAL MGY 135 GLN HN 5.50 (# 2082:10 Unique 2.80, 5.07 A)
&rst
ixpk= 2082, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL MGX 135 GLN HN 5.50 (# 2083:10 Unique 2.80, 5.07 A)
&rst
ixpk= 2083, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 136 VAL MGY 136 VAL HN 2.80 (# 2084:10 Unique 1.77, 3.39 A)
&rst
ixpk= 2084, nxpk= 10, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 0 AMB 10-2:2085 136 VAL HN 5.50 (# 2085:10 Single Ambig)
&rst
ixpk= 2085, nxpk= 10, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2248,2249,2250,2252,2253,2254,2296,2297,2296,2297,
&end
#
# 132 PRO HB- 136 VAL HN 5.50 (# 2086:10 Unique 3.60, 4.91 A)
&rst
ixpk= 2086, nxpk= 10, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2162,2163,
&end
#
# 137 VAL MGY 136 VAL HN 5.50 (# 2087:10 Unique 4.37, 7.12 A)
&rst
ixpk= 2087, nxpk= 10, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 141 ARG HG- 136 VAL HN 5.50 (# 2089:10 Unique 3.00, 5.22 A)
&rst
ixpk= 2089, nxpk= 10, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2318,2319,
&end
#
# 0 AMB 10-2:2090 136 VAL HN 5.50 (# 2090:10 Single Ambig)
&rst
ixpk= 2090, nxpk= 10, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2318,2319,2315,2316,
&end
#
# 135 GLN HB+ 136 VAL HN 4.50 (# 2091:10 Unique 2.45, 3.39 A)
&rst
ixpk= 2091, nxpk= 10, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2213,2214,
&end
#
# 136 VAL HB 136 VAL HN 3.50 (# 2092:10 Unique 2.64, 3.22 A)
&rst
ixpk= 2092, nxpk= 10, iat=2230,2226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 PRO HA 136 VAL HN 5.50 (# 2093:10 Unique 2.62, 3.87 A)
&rst
ixpk= 2093, nxpk= 10, iat=2165,2226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 VAL HA 136 VAL HN 5.50 (# 2095:10 Unique 4.31, 4.92 A)
&rst
ixpk= 2095, nxpk= 10, iat=2171,2226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2096 136 VAL HN 4.50 (# 2096:10 Single Ambig)
&rst
ixpk= 2096, nxpk= 10, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2211,2187,
&end
#
# 136 VAL HA 136 VAL HN 4.50 (# 2097:10 Unique 2.71, 2.85 A)
&rst
ixpk= 2097, nxpk= 10, iat=2228,2226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 TRP HH2 136 VAL HN 4.50 (# 2098:10 Unique 3.35, 4.35 A)
&rst
ixpk= 2098, nxpk= 10, iat= 371,2226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 VAL HN 136 VAL HN 5.50 (# 2100:10 Unique 2.19, 3.92 A)
&rst
ixpk= 2100, nxpk= 10, iat=2242,2226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLN HN 136 VAL HN 3.50 (# 2102:10 Unique 2.04, 2.27 A)
&rst
ixpk= 2102, nxpk= 10, iat=2209,2226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2103 137 VAL HN 5.50 (# 2103:10 Single Ambig)
&rst
ixpk= 2103, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2258, 510,
&end
#
# 0 AMB 10-2:2104 137 VAL HN 5.50 (# 2104:10 Single Ambig)
&rst
ixpk= 2104, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2226,2311,
&end
#
# 137 VAL HA 137 VAL HN 4.50 (# 2105:10 Unique 2.28, 2.60 A)
&rst
ixpk= 2105, nxpk= 10, iat=2244,2242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 VAL HA 137 VAL HN 3.50 (# 2106:10 Unique 2.19, 2.70 A)
&rst
ixpk= 2106, nxpk= 10, iat=2228,2242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2107 137 VAL HN 3.50 (# 2107:10 Single Ambig)
&rst
ixpk= 2107, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2230,2246,
&end
#
# 137 VAL MGY 137 VAL HN 4.50 (# 2108:10 Unique 1.94, 3.89 A)
&rst
ixpk= 2108, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 10-2:2109 0 AMB 10-1:2109 2.80 (# 2109:10 Double Ambig)
&rst
ixpk= 2109, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=2232,2233,2234,2236,2237,2238,2248,2249,2250,2252,
2253,2254, 189, 190,
igr2=2242, 179,
&end
#
# 138 SER HN 139 PHE HN 5.50 (# 2111:10 Unique 2.25, 2.55 A)
&rst
ixpk= 2111, nxpk= 10, iat=2258,2269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 PHE HD 139 PHE HN 3.50 (# 2112:10 Unique 1.95, 3.86 A)
&rst
ixpk= 2112, nxpk= 10, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2277,2285,
&end
#
# 137 VAL HA 139 PHE HN 4.50 (# 2114:10 Unique 3.84, 4.36 A)
&rst
ixpk= 2114, nxpk= 10, iat=2244,2269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 SER HB+ 139 PHE HN 4.50 (# 2115:10 Unique 2.13, 3.56 A)
&rst
ixpk= 2115, nxpk= 10, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2262,2263,
&end
#
# 138 SER HA 139 PHE HN 5.50 (# 2116:10 Unique 3.38, 3.50 A)
&rst
ixpk= 2116, nxpk= 10, iat=2260,2269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 PHE HB+ 139 PHE HN 4.50 (# 2117:10 Unique 2.20, 2.98 A)
&rst
ixpk= 2117, nxpk= 10, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2273,2274,
&end
#
# 139 PHE HB- 139 PHE HN 4.50 (# 2118:10 Unique 2.20, 2.98 A)
&rst
ixpk= 2118, nxpk= 10, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2273,2274,
&end
#
# 137 VAL HB 139 PHE HN 5.50 (# 2119:10 Unique 2.53, 3.09 A)
&rst
ixpk= 2119, nxpk= 10, iat=2246,2269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2120 139 PHE HN 5.50 (# 2120:10 Single Ambig)
&rst
ixpk= 2120, nxpk= 10, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2318,2319,1284,1285,2315,2316,
&end
#
# 80 PRO HG+ 139 PHE HN 5.50 (# 2121:10 Unique 4.00, 5.84 A)
&rst
ixpk= 2121, nxpk= 10, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1284,1285,
&end
#
# 140 LYS HB- 139 PHE HN 5.50 (# 2122:10 Unique 3.77, 4.53 A)
&rst
ixpk= 2122, nxpk= 10, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2293,2294,
&end
#
# 0 AMB 10-2:2123 139 PHE HN 5.50 (# 2123:10 Single Ambig)
&rst
ixpk= 2123, nxpk= 10, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2293,2294,2299,2300,
&end
#
# 137 VAL MGY 139 PHE HN 4.50 (# 2124:10 Unique 1.92, 4.38 A)
&rst
ixpk= 2124, nxpk= 10, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 137 VAL MGX 139 PHE HN 4.50 (# 2125:10 Unique 1.92, 4.38 A)
&rst
ixpk= 2125, nxpk= 10, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 142 ASP HN 140 LYS HN 5.50 (# 2126:10 Unique 3.83, 4.27 A)
&rst
ixpk= 2126, nxpk= 10, iat=2335,2289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 ARG HN 140 LYS HN 3.50 (# 2127:10 Unique 2.10, 2.47 A)
&rst
ixpk= 2127, nxpk= 10, iat=2311,2289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 140 LYS HA 140 LYS HN 4.50 (# 2129:10 Unique 2.78, 2.86 A)
&rst
ixpk= 2129, nxpk= 10, iat=2291,2289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2130 140 LYS HN 5.50 (# 2130:10 Single Ambig)
&rst
ixpk= 2130, nxpk= 10, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2273,2274,2321,2322,
&end
#
# 139 PHE HB+ 140 LYS HN 5.50 (# 2131:10 Unique 2.76, 3.93 A)
&rst
ixpk= 2131, nxpk= 10, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2273,2274,
&end
#
# 140 LYS HB+ 140 LYS HN 4.50 (# 2132:10 Unique 2.07, 2.61 A)
&rst
ixpk= 2132, nxpk= 10, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2293,2294,
&end
#
# 140 LYS HB- 140 LYS HN 5.50 (# 2133:10 Unique 2.07, 2.61 A)
&rst
ixpk= 2133, nxpk= 10, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2293,2294,
&end
#
# 137 VAL MGY 140 LYS HN 5.50 (# 2134:10 Unique 1.99, 4.15 A)
&rst
ixpk= 2134, nxpk= 10, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 137 VAL MGX 140 LYS HN 3.50 (# 2135:10 Unique 1.99, 4.15 A)
&rst
ixpk= 2135, nxpk= 10, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 142 ASP HN 141 ARG HN 4.50 (# 2136:10 Unique 2.25, 2.76 A)
&rst
ixpk= 2136, nxpk= 10, iat=2335,2311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 VAL HN 141 ARG HN 5.50 (# 2137:10 Unique 4.09, 4.47 A)
&rst
ixpk= 2137, nxpk= 10, iat=2347,2311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 LYS HN 141 ARG HN 3.50 (# 2138:10 Unique 2.10, 2.47 A)
&rst
ixpk= 2138, nxpk= 10, iat=2289,2311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2142 141 ARG HN 4.50 (# 2142:10 Single Ambig)
&rst
ixpk= 2142, nxpk= 10, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2291,2244,
&end
#
# 138 SER HA 141 ARG HN 5.50 (# 2143:10 Unique 3.43, 4.08 A)
&rst
ixpk= 2143, nxpk= 10, iat=2260,2311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 ARG HA 141 ARG HN 4.50 (# 2144:10 Unique 2.74, 2.77 A)
&rst
ixpk= 2144, nxpk= 10, iat=2313,2311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2145 141 ARG HN 4.50 (# 2145:10 Single Ambig)
&rst
ixpk= 2145, nxpk= 10, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2367,2368,1326,1327,
&end
#
# 0 AMB 10-2:2146 141 ARG HN 5.50 (# 2146:10 Single Ambig)
&rst
ixpk= 2146, nxpk= 10, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2339,2340,2339,2340,2302,2303,2302,2303,
&end
#
# 137 VAL HB 141 ARG HN 5.50 (# 2148:10 Unique 1.95, 3.34 A)
&rst
ixpk= 2148, nxpk= 10, iat=2246,2311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 ARG HB+ 141 ARG HN 3.50 (# 2149:10 Unique 2.06, 2.95 A)
&rst
ixpk= 2149, nxpk= 10, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2315,2316,
&end
#
# 0 AMB 10-2:2150 141 ARG HN 3.50 (# 2150:10 Single Ambig)
&rst
ixpk= 2150, nxpk= 10, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2318,2319,2315,2316,
&end
#
# 141 ARG HG- 141 ARG HN 4.50 (# 2151:10 Unique 1.91, 3.30 A)
&rst
ixpk= 2151, nxpk= 10, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2318,2319,
&end
#
# 0 AMB 10-2:2153 141 ARG HN 3.50 (# 2153:10 Single Ambig)
&rst
ixpk= 2153, nxpk= 10, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2248,2249,2250,2252,2253,2254,2296,2297,2296,2297,
&end
#
# 145 ARG HN 142 ASP HN 5.50 (# 2154:10 Unique 4.66, 4.83 A)
&rst
ixpk= 2154, nxpk= 10, iat=2384,2335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 VAL HN 142 ASP HN 4.50 (# 2155:10 Unique 2.47, 2.87 A)
&rst
ixpk= 2155, nxpk= 10, iat=2347,2335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2156 142 ASP HN 5.50 (# 2156:10 Single Ambig)
&rst
ixpk= 2156, nxpk= 10, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2289,2421,
&end
#
# 141 ARG HN 142 ASP HN 4.50 (# 2157:10 Unique 2.25, 2.76 A)
&rst
ixpk= 2157, nxpk= 10, iat=2311,2335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 ASP HA 142 ASP HN 3.50 (# 2160:10 Unique 2.68, 2.75 A)
&rst
ixpk= 2160, nxpk= 10, iat=2337,2335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 140 LYS HA 142 ASP HN 4.50 (# 2161:10 Unique 3.60, 4.03 A)
&rst
ixpk= 2161, nxpk= 10, iat=2291,2335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2162 142 ASP HN 5.50 (# 2162:10 Single Ambig)
&rst
ixpk= 2162, nxpk= 10, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2260,2386,
&end
#
# 141 ARG HA 142 ASP HN 4.50 (# 2163:10 Unique 3.42, 3.51 A)
&rst
ixpk= 2163, nxpk= 10, iat=2313,2335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2164 142 ASP HN 4.50 (# 2164:10 Single Ambig)
&rst
ixpk= 2164, nxpk= 10, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2367,2368,2418,2419,2418,2419,
&end
#
# 0 AMB 10-2:2165 142 ASP HN 2.80 (# 2165:10 Single Ambig)
&rst
ixpk= 2165, nxpk= 10, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2339,2340,2339,2340,
&end
#
# 141 ARG HB+ 142 ASP HN 3.50 (# 2167:10 Unique 2.23, 3.56 A)
&rst
ixpk= 2167, nxpk= 10, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2315,2316,
&end
#
# 0 AMB 10-2:2168 142 ASP HN 3.50 (# 2168:10 Single Ambig)
&rst
ixpk= 2168, nxpk= 10, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2318,2319,2315,2316,
&end
#
# 141 ARG HG- 142 ASP HN 5.50 (# 2169:10 Unique 1.95, 3.73 A)
&rst
ixpk= 2169, nxpk= 10, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2318,2319,
&end
#
# 0 AMB 10-2:2170 142 ASP HN 4.50 (# 2170:10 Single Ambig)
&rst
ixpk= 2170, nxpk= 10, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 0 AMB 10-2:2171 142 ASP HN 5.50 (# 2171:10 Single Ambig)
&rst
ixpk= 2171, nxpk= 10, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2232,2233,2234,2236,2237,2238,2296,2297,
&end
#
# 0 AMB 10-2:2172 143 VAL HN 5.50 (# 2172:10 Single Ambig)
&rst
ixpk= 2172, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 10-2:2173 143 VAL HN 2.80 (# 2173:10 Single Ambig)
&rst
ixpk= 2173, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 143 VAL HB 143 VAL HN 3.50 (# 2174:10 Unique 2.35, 2.52 A)
&rst
ixpk= 2174, nxpk= 10, iat=2351,2347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2175 143 VAL HN 5.50 (# 2175:10 Single Ambig)
&rst
ixpk= 2175, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2388,2389,2388,2389,
&end
#
# 0 AMB 10-2:2176 143 VAL HN 5.50 (# 2176:10 Single Ambig)
&rst
ixpk= 2176, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2412,2413,2412,2413,2415,2416,
&end
#
# 0 AMB 10-2:2177 143 VAL HN 3.50 (# 2177:10 Single Ambig)
&rst
ixpk= 2177, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2339,2340,2339,2340,
&end
#
# 0 AMB 10-2:2178 143 VAL HN 5.50 (# 2178:10 Single Ambig)
&rst
ixpk= 2178, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2418,2419,2418,2419,2367,2368,
&end
#
# 143 VAL HA 143 VAL HN 4.50 (# 2179:10 Unique 2.76, 2.83 A)
&rst
ixpk= 2179, nxpk= 10, iat=2349,2347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 LYS HA 143 VAL HN 5.50 (# 2180:10 Unique 3.35, 3.59 A)
&rst
ixpk= 2180, nxpk= 10, iat=2291,2347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 ASP HA 143 VAL HN 5.50 (# 2181:10 Unique 3.51, 3.54 A)
&rst
ixpk= 2181, nxpk= 10, iat=2337,2347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 TYR HD 143 VAL HN 5.50 (# 2183:10 Unique 5.04, 6.18 A)
&rst
ixpk= 2183, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1226,1235,
&end
#
# 0 AMB 10-2:2184 143 VAL HN 5.50 (# 2184:10 Single Ambig)
&rst
ixpk= 2184, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2311,2279,2283,
&end
#
# 142 ASP HN 143 VAL HN 3.50 (# 2185:10 Unique 2.47, 2.87 A)
&rst
ixpk= 2185, nxpk= 10, iat=2335,2347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 145 ARG HN 143 VAL HN 5.50 (# 2186:10 Unique 3.73, 3.99 A)
&rst
ixpk= 2186, nxpk= 10, iat=2384,2347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 ARG HN 144 TYR HN 5.50 (# 2187:10 Unique 2.72, 2.79 A)
&rst
ixpk= 2187, nxpk= 10, iat=2384,2363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 VAL HN 144 TYR HN 5.50 (# 2188:10 Unique 2.44, 2.77 A)
&rst
ixpk= 2188, nxpk= 10, iat=2347,2363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 TYR HD 144 TYR HN 5.50 (# 2190:10 Unique 3.45, 4.24 A)
&rst
ixpk= 2190, nxpk= 10, iat= -1,2363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2371,2380,
&end
#
# 144 TYR HA 144 TYR HN 4.50 (# 2191:10 Unique 2.74, 2.76 A)
&rst
ixpk= 2191, nxpk= 10, iat=2365,2363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 ARG HA 144 TYR HN 5.50 (# 2192:10 Unique 2.98, 3.48 A)
&rst
ixpk= 2192, nxpk= 10, iat=2313,2363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 TYR HB+ 144 TYR HN 4.50 (# 2193:10 Unique 2.07, 2.71 A)
&rst
ixpk= 2193, nxpk= 10, iat= -1,2363, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2367,2368,
&end
#
# 144 TYR HB- 144 TYR HN 5.50 (# 2194:10 Unique 2.07, 2.71 A)
&rst
ixpk= 2194, nxpk= 10, iat= -1,2363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2367,2368,
&end
#
# 143 VAL HB 144 TYR HN 5.50 (# 2195:10 Unique 2.01, 2.43 A)
&rst
ixpk= 2195, nxpk= 10, iat=2351,2363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2196 144 TYR HN 5.50 (# 2196:10 Single Ambig)
&rst
ixpk= 2196, nxpk= 10, iat= -1,2363, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2388,2389,2388,2389,
&end
#
# 0 AMB 10-2:2197 144 TYR HN 3.50 (# 2197:10 Single Ambig)
&rst
ixpk= 2197, nxpk= 10, iat= -1,2363, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 144 TYR HN 145 ARG HN 4.50 (# 2199:10 Unique 2.72, 2.79 A)
&rst
ixpk= 2199, nxpk= 10, iat=2363,2384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 ARG HN 145 ARG HN 5.50 (# 2200:10 Unique 2.51, 2.73 A)
&rst
ixpk= 2200, nxpk= 10, iat=2408,2384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 TYR HD 145 ARG HN 5.50 (# 2201:10 Unique 4.80, 5.25 A)
&rst
ixpk= 2201, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2371,2380,
&end
#
# 142 ASP HA 145 ARG HN 5.50 (# 2202:10 Unique 3.56, 3.81 A)
&rst
ixpk= 2202, nxpk= 10, iat=2337,2384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 ARG HA 145 ARG HN 4.50 (# 2203:10 Unique 2.73, 2.77 A)
&rst
ixpk= 2203, nxpk= 10, iat=2386,2384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 TYR HA 145 ARG HN 5.50 (# 2204:10 Unique 3.45, 3.51 A)
&rst
ixpk= 2204, nxpk= 10, iat=2365,2384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 ARG HA 145 ARG HN 5.50 (# 2205:10 Unique 3.57, 4.05 A)
&rst
ixpk= 2205, nxpk= 10, iat=2313,2384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2206 145 ARG HN 4.50 (# 2206:10 Single Ambig)
&rst
ixpk= 2206, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2367,2368,2394,2395,2394,2395,
&end
#
# 0 AMB 10-2:2207 145 ARG HN 5.50 (# 2207:10 Single Ambig)
&rst
ixpk= 2207, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2339,2340,2339,2340,2302,2303,
&end
#
# 144 TYR HB- 145 ARG HN 5.50 (# 2208:10 Unique 2.85, 3.16 A)
&rst
ixpk= 2208, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2367,2368,
&end
#
# 0 AMB 10-2:2209 145 ARG HN 2.80 (# 2209:10 Single Ambig)
&rst
ixpk= 2209, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2388,2389,2388,2389,
&end
#
# 145 ARG HG+ 145 ARG HN 3.50 (# 2210:10 Unique 1.94, 3.90 A)
&rst
ixpk= 2210, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2391,2392,
&end
#
# 0 AMB 10-2:2211 145 ARG HN 4.50 (# 2211:10 Single Ambig)
&rst
ixpk= 2211, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2175,2176,2177,2179,2180,2181,2175,2176,2177,2179,
2180,2181,
&end
#
# 145 ARG HN 146 ARG HN 4.50 (# 2212:10 Unique 2.51, 2.73 A)
&rst
ixpk= 2212, nxpk= 10, iat=2384,2408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2213 146 ARG HN 5.50 (# 2213:10 Single Ambig)
&rst
ixpk= 2213, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2363,2465,
&end
#
# 147 VAL HN 146 ARG HN 4.50 (# 2214:10 Unique 2.20, 2.31 A)
&rst
ixpk= 2214, nxpk= 10, iat=2432,2408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 TYR HD 146 ARG HN 5.50 (# 2216:10 Unique 5.25, 6.42 A)
&rst
ixpk= 2216, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2371,2380,
&end
#
# 142 ASP HA 146 ARG HN 5.50 (# 2217:10 Unique 4.93, 5.24 A)
&rst
ixpk= 2217, nxpk= 10, iat=2337,2408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ARG HA 146 ARG HN 3.50 (# 2218:10 Unique 2.88, 2.91 A)
&rst
ixpk= 2218, nxpk= 10, iat=2410,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 143 VAL HA 146 ARG HN 5.50 (# 2219:10 Unique 3.40, 3.66 A)
&rst
ixpk= 2219, nxpk= 10, iat=2349,2408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2220 146 ARG HN 4.50 (# 2220:10 Single Ambig)
&rst
ixpk= 2220, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2418,2419,2418,2419,
&end
#
# 0 AMB 10-2:2221 146 ARG HN 5.50 (# 2221:10 Single Ambig)
&rst
ixpk= 2221, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2339,2340,2339,2340,
&end
#
# 0 AMB 10-2:2222 146 ARG HN 3.50 (# 2222:10 Single Ambig)
&rst
ixpk= 2222, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2388,2389,2388,2389,
&end
#
# 0 AMB 10-2:2223 146 ARG HN 2.80 (# 2223:10 Single Ambig)
&rst
ixpk= 2223, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2412,2413,2412,2413,2415,2416,
&end
#
# 143 VAL HB 146 ARG HN 5.50 (# 2224:10 Unique 5.31, 5.47 A)
&rst
ixpk= 2224, nxpk= 10, iat=2351,2408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ARG HG- 146 ARG HN 3.50 (# 2225:10 Unique 2.30, 3.37 A)
&rst
ixpk= 2225, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2415,2416,
&end
#
# 0 AMB 10-2:2226 146 ARG HN 4.50 (# 2226:10 Single Ambig)
&rst
ixpk= 2226, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,2436,
&end
#
# 0 AMB 10-2:2227 146 ARG HN 4.50 (# 2227:10 Single Ambig)
&rst
ixpk= 2227, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1184,1185,1186,1188,1189,1190,2175,2176,2177,2179,
2180,2181,
&end
#
# 147 VAL MGY 146 ARG HN 5.50 (# 2228:10 Unique 3.25, 5.72 A)
&rst
ixpk= 2228, nxpk= 10, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 146 ARG HN 147 VAL HN 4.50 (# 2230:10 Unique 2.20, 2.31 A)
&rst
ixpk= 2230, nxpk= 10, iat=2408,2432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 TYR HD 147 VAL HN 5.50 (# 2231:10 Unique 4.17, 5.70 A)
&rst
ixpk= 2231, nxpk= 10, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2371,2380,
&end
#
# 146 ARG HA 147 VAL HN 4.50 (# 2232:10 Unique 3.35, 3.49 A)
&rst
ixpk= 2232, nxpk= 10, iat=2410,2432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 TYR HA 147 VAL HN 4.50 (# 2233:10 Unique 2.82, 3.02 A)
&rst
ixpk= 2233, nxpk= 10, iat=2365,2432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2234 147 VAL HN 5.50 (# 2234:10 Single Ambig)
&rst
ixpk= 2234, nxpk= 10, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2418,2419,2418,2419,2367,2368,
&end
#
# 147 VAL HA 147 VAL HN 4.50 (# 2235:10 Unique 2.73, 2.81 A)
&rst
ixpk= 2235, nxpk= 10, iat=2434,2432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 MET HG+ 147 VAL HN 5.50 (# 2236:10 Unique 3.66, 5.04 A)
&rst
ixpk= 2236, nxpk= 10, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2455,2456,
&end
#
# 0 AMB 10-2:2237 147 VAL HN 3.50 (# 2237:10 Single Ambig)
&rst
ixpk= 2237, nxpk= 10, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2415,2416,2412,2413,2412,2413,
&end
#
# 146 ARG HG- 147 VAL HN 4.50 (# 2238:10 Unique 2.03, 4.17 A)
&rst
ixpk= 2238, nxpk= 10, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2415,2416,
&end
#
# 147 VAL HB 147 VAL HN 3.50 (# 2239:10 Unique 2.49, 2.57 A)
&rst
ixpk= 2239, nxpk= 10, iat=2436,2432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2240 147 VAL HN 4.50 (# 2240:10 Single Ambig)
&rst
ixpk= 2240, nxpk= 10, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 147 VAL MGX 147 VAL HN 4.50 (# 2241:10 Unique 1.90, 3.75 A)
&rst
ixpk= 2241, nxpk= 10, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL MGY 147 VAL HN 3.50 (# 2242:10 Unique 1.90, 3.75 A)
&rst
ixpk= 2242, nxpk= 10, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL MGY 148 MET HN 5.50 (# 2243:10 Unique 1.97, 4.64 A)
&rst
ixpk= 2243, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL MGX 148 MET HN 5.50 (# 2244:10 Unique 1.97, 4.64 A)
&rst
ixpk= 2244, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 133 VAL MGX 148 MET HN 5.50 (# 2245:10 Unique 4.18, 6.33 A)
&rst
ixpk= 2245, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 147 VAL HB 148 MET HN 4.50 (# 2246:10 Unique 2.30, 2.98 A)
&rst
ixpk= 2246, nxpk= 10, iat=2436,2448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 MET HB- 148 MET HN 5.50 (# 2247:10 Unique 2.20, 3.09 A)
&rst
ixpk= 2247, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2452,2453,
&end
#
# 0 AMB 10-2:2248 148 MET HN 5.50 (# 2248:10 Single Ambig)
&rst
ixpk= 2248, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2491,2492,2415,2416,
&end
#
# 148 MET HB+ 148 MET HN 4.50 (# 2249:10 Unique 2.20, 3.09 A)
&rst
ixpk= 2249, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2452,2453,
&end
#
# 148 MET HG- 148 MET HN 4.50 (# 2250:10 Unique 1.92, 3.02 A)
&rst
ixpk= 2250, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2455,2456,
&end
#
# 148 MET HG+ 148 MET HN 5.50 (# 2251:10 Unique 1.92, 3.02 A)
&rst
ixpk= 2251, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2455,2456,
&end
#
# 147 VAL HA 148 MET HN 5.50 (# 2252:10 Unique 3.37, 3.47 A)
&rst
ixpk= 2252, nxpk= 10, iat=2434,2448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2253 148 MET HN 5.50 (# 2253:10 Single Ambig)
&rst
ixpk= 2253, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2367,2368,2418,2419,2418,2419,
&end
#
# 144 TYR HA 148 MET HN 5.50 (# 2254:10 Unique 3.45, 4.31 A)
&rst
ixpk= 2254, nxpk= 10, iat=2365,2448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 ARG HA 148 MET HN 5.50 (# 2255:10 Unique 3.52, 4.01 A)
&rst
ixpk= 2255, nxpk= 10, iat=2386,2448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 MET HA 148 MET HN 5.50 (# 2256:10 Unique 2.77, 2.87 A)
&rst
ixpk= 2256, nxpk= 10, iat=2450,2448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2257 148 MET HN 5.50 (# 2257:10 Single Ambig)
&rst
ixpk= 2257, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2099,2104,2097,2106,
&end
#
# 144 TYR HD 148 MET HN 5.50 (# 2258:10 Unique 3.10, 5.99 A)
&rst
ixpk= 2258, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2371,2380,
&end
#
# 0 AMB 10-2:2261 148 MET HN 5.50 (# 2261:10 Single Ambig)
&rst
ixpk= 2261, nxpk= 10, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2487,2408,
&end
#
# 149 LYS HN 148 MET HN 4.50 (# 2262:10 Unique 2.36, 2.62 A)
&rst
ixpk= 2262, nxpk= 10, iat=2465,2448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 MET HN 149 LYS HN 5.50 (# 2263:10 Unique 2.36, 2.62 A)
&rst
ixpk= 2263, nxpk= 10, iat=2448,2465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 GLU HN 149 LYS HN 4.50 (# 2264:10 Unique 2.52, 2.67 A)
&rst
ixpk= 2264, nxpk= 10, iat=2487,2465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 149 LYS HA 149 LYS HN 4.50 (# 2266:10 Unique 2.73, 2.80 A)
&rst
ixpk= 2266, nxpk= 10, iat=2467,2465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 MET HA 149 LYS HN 5.50 (# 2267:10 Unique 3.53, 3.56 A)
&rst
ixpk= 2267, nxpk= 10, iat=2450,2465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 GLU HA 149 LYS HN 5.50 (# 2268:10 Unique 5.04, 5.20 A)
&rst
ixpk= 2268, nxpk= 10, iat=2489,2465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ARG HA 149 LYS HN 5.50 (# 2269:10 Unique 3.11, 3.51 A)
&rst
ixpk= 2269, nxpk= 10, iat=2410,2465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LYS HB- 149 LYS HN 2.80 (# 2270:10 Unique 2.14, 2.55 A)
&rst
ixpk= 2270, nxpk= 10, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2469,2470,
&end
#
# 149 LYS HB+ 149 LYS HN 2.80 (# 2271:10 Unique 2.14, 2.55 A)
&rst
ixpk= 2271, nxpk= 10, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2469,2470,
&end
#
# 0 AMB 10-2:2272 149 LYS HN 4.50 (# 2272:10 Single Ambig)
&rst
ixpk= 2272, nxpk= 10, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2472,2473,2475,2476,
&end
#
# 0 AMB 10-2:2273 149 LYS HN 5.50 (# 2273:10 Single Ambig)
&rst
ixpk= 2273, nxpk= 10, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=2526,2527,2528,2391,2392,2491,2492,
&end
#
# 148 MET HB- 149 LYS HN 5.50 (# 2274:10 Unique 2.05, 2.87 A)
&rst
ixpk= 2274, nxpk= 10, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2452,2453,
&end
#
# 0 AMB 10-2:2275 149 LYS HN 5.50 (# 2275:10 Single Ambig)
&rst
ixpk= 2275, nxpk= 10, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2175,2176,2177,2179,2180,2181,2175,2176,2177,2179,
2180,2181,
&end
#
# 149 LYS HN 150 GLU HN 4.50 (# 2276:10 Unique 2.52, 2.67 A)
&rst
ixpk= 2276, nxpk= 10, iat=2465,2487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 147 VAL HN 150 GLU HN 5.50 (# 2277:10 Unique 4.38, 4.82 A)
&rst
ixpk= 2277, nxpk= 10, iat=2432,2487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TRP HH2 150 GLU HN 5.50 (# 2278:10 Unique 5.06, 5.37 A)
&rst
ixpk= 2278, nxpk= 10, iat=2125,2487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 PHE HA 150 GLU HN 5.50 (# 2280:10 Unique 4.88, 5.29 A)
&rst
ixpk= 2280, nxpk= 10, iat=2504,2487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LYS HA 150 GLU HN 5.50 (# 2281:10 Unique 3.30, 3.43 A)
&rst
ixpk= 2281, nxpk= 10, iat=2467,2487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 GLU HA 150 GLU HN 3.50 (# 2282:10 Unique 2.74, 2.80 A)
&rst
ixpk= 2282, nxpk= 10, iat=2489,2487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 146 ARG HA 150 GLU HN 5.50 (# 2283:10 Unique 3.64, 4.13 A)
&rst
ixpk= 2283, nxpk= 10, iat=2410,2487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2284 150 GLU HN 5.50 (# 2284:10 Single Ambig)
&rst
ixpk= 2284, nxpk= 10, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2506,2507,2394,2395,2394,2395,1123,1124,1123,1124,
2418,2419,
&end
#
# 147 VAL HA 150 GLU HN 5.50 (# 2285:10 Unique 3.48, 3.79 A)
&rst
ixpk= 2285, nxpk= 10, iat=2434,2487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 GLU HG+ 150 GLU HN 4.50 (# 2286:10 Unique 2.29, 3.20 A)
&rst
ixpk= 2286, nxpk= 10, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2494,2495,
&end
#
# 150 GLU HG- 150 GLU HN 3.50 (# 2287:10 Unique 2.29, 3.20 A)
&rst
ixpk= 2287, nxpk= 10, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2494,2495,
&end
#
# 150 GLU HB+ 150 GLU HN 2.80 (# 2288:10 Unique 2.07, 2.89 A)
&rst
ixpk= 2288, nxpk= 10, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2491,2492,
&end
#
# 150 GLU HB- 150 GLU HN 2.80 (# 2289:10 Unique 2.07, 2.89 A)
&rst
ixpk= 2289, nxpk= 10, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2491,2492,
&end
#
# 147 VAL MGX 150 GLU HN 5.50 (# 2292:10 Unique 4.48, 6.27 A)
&rst
ixpk= 2292, nxpk= 10, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL MGY 150 GLU HN 5.50 (# 2293:10 Unique 4.48, 6.27 A)
&rst
ixpk= 2293, nxpk= 10, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 153 SER HN 151 PHE HN 5.50 (# 2294:10 Unique 4.56, 5.05 A)
&rst
ixpk= 2294, nxpk= 10, iat=2532,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LYS HN 151 PHE HN 5.50 (# 2295:10 Unique 4.22, 4.88 A)
&rst
ixpk= 2295, nxpk= 10, iat=2465,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 ALA HN 151 PHE HN 3.50 (# 2296:10 Unique 2.18, 2.62 A)
&rst
ixpk= 2296, nxpk= 10, iat=2522,2502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 151 PHE HA 151 PHE HN 4.50 (# 2298:10 Unique 2.92, 2.94 A)
&rst
ixpk= 2298, nxpk= 10, iat=2504,2502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 150 GLU HA 151 PHE HN 4.50 (# 2299:10 Unique 3.47, 3.56 A)
&rst
ixpk= 2299, nxpk= 10, iat=2489,2502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 MET HA 151 PHE HN 5.50 (# 2300:10 Unique 3.53, 3.92 A)
&rst
ixpk= 2300, nxpk= 10, iat=2450,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LYS HA 151 PHE HN 5.50 (# 2301:10 Unique 4.16, 4.69 A)
&rst
ixpk= 2301, nxpk= 10, iat=2467,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 ALA HA 151 PHE HN 5.50 (# 2302:10 Unique 4.16, 4.33 A)
&rst
ixpk= 2302, nxpk= 10, iat=2524,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 PHE HB+ 151 PHE HN 4.50 (# 2303:10 Unique 2.60, 3.36 A)
&rst
ixpk= 2303, nxpk= 10, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2506,2507,
&end
#
# 151 PHE HB- 151 PHE HN 4.50 (# 2304:10 Unique 2.60, 3.36 A)
&rst
ixpk= 2304, nxpk= 10, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2506,2507,
&end
#
# 147 VAL HA 151 PHE HN 5.50 (# 2305:10 Unique 3.91, 4.76 A)
&rst
ixpk= 2305, nxpk= 10, iat=2434,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 GLU HG+ 151 PHE HN 5.50 (# 2306:10 Unique 4.28, 4.62 A)
&rst
ixpk= 2306, nxpk= 10, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2494,2495,
&end
#
# 150 GLU HB+ 151 PHE HN 4.50 (# 2307:10 Unique 2.17, 2.72 A)
&rst
ixpk= 2307, nxpk= 10, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2491,2492,
&end
#
# 0 AMB 10-2:2308 151 PHE HN 4.50 (# 2308:10 Single Ambig)
&rst
ixpk= 2308, nxpk= 10, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2494,2495,2469,2470,
&end
#
# 150 GLU HB- 151 PHE HN 3.50 (# 2309:10 Unique 2.17, 2.72 A)
&rst
ixpk= 2309, nxpk= 10, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2491,2492,
&end
#
# 0 AMB 10-2:2310 151 PHE HN 4.50 (# 2310:10 Single Ambig)
&rst
ixpk= 2310, nxpk= 10, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2549,2550,2551,2553,2554,2555,1667,2565,2566,2567,
2569,2570,2571,1664,1665,
&end
#
# 0 AMB 10-2:2311 151 PHE HN 5.50 (# 2311:10 Single Ambig)
&rst
ixpk= 2311, nxpk= 10, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675, 204, 205, 206, 208,
209, 210,
&end
#
# 147 VAL MGX 151 PHE HN 5.50 (# 2312:10 Unique 4.04, 6.70 A)
&rst
ixpk= 2312, nxpk= 10, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 147 VAL MGY 151 PHE HN 5.50 (# 2313:10 Unique 4.04, 6.70 A)
&rst
ixpk= 2313, nxpk= 10, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 153 SER HN 152 ALA HN 4.50 (# 2314:10 Unique 2.51, 2.74 A)
&rst
ixpk= 2314, nxpk= 10, iat=2532,2522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 151 PHE HN 152 ALA HN 4.50 (# 2316:10 Unique 2.18, 2.62 A)
&rst
ixpk= 2316, nxpk= 10, iat=2502,2522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 154 VAL HN 152 ALA HN 5.50 (# 2317:10 Unique 3.54, 3.88 A)
&rst
ixpk= 2317, nxpk= 10, iat=2543,2522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 TYR HE 152 ALA HN 5.50 (# 2320:10 Unique 3.45, 5.48 A)
&rst
ixpk= 2320, nxpk= 10, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2099,2104,
&end
#
# 151 PHE HA 152 ALA HN 5.50 (# 2321:10 Unique 2.71, 2.88 A)
&rst
ixpk= 2321, nxpk= 10, iat=2504,2522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LYS HA 152 ALA HN 5.50 (# 2323:10 Unique 2.99, 3.41 A)
&rst
ixpk= 2323, nxpk= 10, iat=2467,2522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2324 152 ALA HN 5.50 (# 2324:10 Single Ambig)
&rst
ixpk= 2324, nxpk= 10, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2489,2534,
&end
#
# 0 AMB 10-2:2325 152 ALA HN 5.50 (# 2325:10 Single Ambig)
&rst
ixpk= 2325, nxpk= 10, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2536,2537,2536,2537,
&end
#
# 152 ALA HA 152 ALA HN 4.50 (# 2326:10 Unique 2.74, 2.79 A)
&rst
ixpk= 2326, nxpk= 10, iat=2524,2522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 151 PHE HB+ 152 ALA HN 5.50 (# 2327:10 Unique 3.99, 4.36 A)
&rst
ixpk= 2327, nxpk= 10, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2506,2507,
&end
#
# 151 PHE HB- 152 ALA HN 5.50 (# 2328:10 Unique 3.99, 4.36 A)
&rst
ixpk= 2328, nxpk= 10, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2506,2507,
&end
#
# 0 AMB 10-2:2330 152 ALA HN 5.50 (# 2330:10 Single Ambig)
&rst
ixpk= 2330, nxpk= 10, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2547,2586,2587,2588,
&end
#
# 152 ALA MB 152 ALA HN 2.80 (# 2331:10 Unique 2.07, 2.88 A)
&rst
ixpk= 2331, nxpk= 10, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2526,2527,2528,
&end
#
# 0 AMB 10-2:2332 152 ALA HN 5.50 (# 2332:10 Single Ambig)
&rst
ixpk= 2332, nxpk= 10, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2549,2550,2551,2553,2554,2555,2565,2566,2567,2569,
2570,2571,
&end
#
# 154 VAL MGY 152 ALA HN 5.50 (# 2333:10 Unique 4.09, 6.50 A)
&rst
ixpk= 2333, nxpk= 10, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2549,2550,2551,2553,2554,2555,
&end
#
# 0 AMB 10-2:2334 152 ALA HN 5.50 (# 2334:10 Single Ambig)
&rst
ixpk= 2334, nxpk= 10, iat= -1,2522, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1669,1670,1671,1673,1674,1675, 204, 205, 206, 208,
209, 210,
&end
#
# 156 MET HN 153 SER HN 5.50 (# 2335:10 Unique 4.58, 4.98 A)
&rst
ixpk= 2335, nxpk= 10, iat=2575,2532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 PHE HN 153 SER HN 5.50 (# 2336:10 Unique 4.56, 5.05 A)
&rst
ixpk= 2336, nxpk= 10, iat=2502,2532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 ALA HN 153 SER HN 3.50 (# 2337:10 Unique 2.51, 2.74 A)
&rst
ixpk= 2337, nxpk= 10, iat=2522,2532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 154 VAL HN 153 SER HN 3.50 (# 2338:10 Unique 2.29, 2.39 A)
&rst
ixpk= 2338, nxpk= 10, iat=2543,2532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2341 153 SER HN 5.50 (# 2341:10 Single Ambig)
&rst
ixpk= 2341, nxpk= 10, iat= -1,2532, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2099,2104,2097,2106,
&end
#
# 151 PHE HA 153 SER HN 5.50 (# 2342:10 Unique 3.13, 3.58 A)
&rst
ixpk= 2342, nxpk= 10, iat=2504,2532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LYS HA 153 SER HN 5.50 (# 2344:10 Unique 4.44, 5.18 A)
&rst
ixpk= 2344, nxpk= 10, iat=2467,2532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 153 SER HA 153 SER HN 2.80 (# 2345:10 Unique 2.84, 2.89 A)
&rst
ixpk= 2345, nxpk= 10, iat=2534,2532, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:2346 153 SER HN 2.80 (# 2346:10 Single Ambig)
&rst
ixpk= 2346, nxpk= 10, iat= -1,2532, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2536,2537,2536,2537,
&end
#
# 154 VAL HA 153 SER HN 5.50 (# 2347:10 Unique 4.76, 4.95 A)
&rst
ixpk= 2347, nxpk= 10, iat=2545,2532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 ALA HA 153 SER HN 4.50 (# 2348:10 Unique 3.45, 3.53 A)
&rst
ixpk= 2348, nxpk= 10, iat=2524,2532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 156 MET HG- 153 SER HN 5.50 (# 2349:10 Unique 4.40, 5.29 A)
&rst
ixpk= 2349, nxpk= 10, iat= -1,2532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2582,2583,
&end
#
# 0 AMB 10-2:2350 153 SER HN 4.50 (# 2350:10 Single Ambig)
&rst
ixpk= 2350, nxpk= 10, iat= -1,2532, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2579,2580,2579,2580,
&end
#
# 154 VAL HB 153 SER HN 5.50 (# 2351:10 Unique 4.53, 4.58 A)
&rst
ixpk= 2351, nxpk= 10, iat=2547,2532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 ALA MB 153 SER HN 2.80 (# 2352:10 Unique 2.39, 3.43 A)
&rst
ixpk= 2352, nxpk= 10, iat= -1,2532, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2526,2527,2528,
&end
#
# 0 AMB 10-2:2353 153 SER HN 4.50 (# 2353:10 Single Ambig)
&rst
ixpk= 2353, nxpk= 10, iat= -1,2532, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2549,2550,2551,2553,2554,2555,2565,2566,2567,2569,
2570,2571,
&end
#
# 154 VAL MGY 153 SER HN 5.50 (# 2354:10 Unique 3.48, 5.83 A)
&rst
ixpk= 2354, nxpk= 10, iat= -1,2532, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2549,2550,2551,2553,2554,2555,
&end
#
# 101 LEU MDY 154 VAL HN 5.50 (# 2355:10 Unique 4.06, 6.65 A)
&rst
ixpk= 2355, nxpk= 10, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1669,1670,1671,1673,1674,1675,
&end
#
# 154 VAL MGY 154 VAL HN 3.50 (# 2356:10 Unique 2.08, 3.85 A)
&rst
ixpk= 2356, nxpk= 10, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2549,2550,2551,2553,2554,2555,
&end
#
# 154 VAL MGX 154 VAL HN 2.80 (# 2357:10 Unique 2.08, 3.85 A)
&rst
ixpk= 2357, nxpk= 10, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2549,2550,2551,2553,2554,2555,
&end
#
# 0 AMB 10-2:2359 154 VAL HN 4.50 (# 2359:10 Single Ambig)
&rst
ixpk= 2359, nxpk= 10, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2526,2527,2528,2563,
&end
#
# 154 VAL HB 154 VAL HN 3.50 (# 2360:10 Unique 2.38, 2.47 A)
&rst
ixpk= 2360, nxpk= 10, iat=2547,2543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 155 VAL HA 154 VAL HN 5.50 (# 2361:10 Unique 4.89, 5.25 A)
&rst
ixpk= 2361, nxpk= 10, iat=2561,2543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 VAL HA 154 VAL HN 3.50 (# 2363:10 Unique 2.74, 2.83 A)
&rst
ixpk= 2363, nxpk= 10, iat=2545,2543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2364 154 VAL HN 4.50 (# 2364:10 Single Ambig)
&rst
ixpk= 2364, nxpk= 10, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2536,2537,2536,2537,
&end
#
# 153 SER HA 154 VAL HN 4.50 (# 2365:10 Unique 3.31, 3.41 A)
&rst
ixpk= 2365, nxpk= 10, iat=2534,2543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 151 PHE HA 154 VAL HN 5.50 (# 2366:10 Unique 2.89, 3.11 A)
&rst
ixpk= 2366, nxpk= 10, iat=2504,2543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2367 154 VAL HN 5.50 (# 2367:10 Single Ambig)
&rst
ixpk= 2367, nxpk= 10, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2099,2104,2097,2106,
&end
#
# 156 MET HN 154 VAL HN 5.50 (# 2370:10 Unique 3.53, 4.08 A)
&rst
ixpk= 2370, nxpk= 10, iat=2575,2543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 153 SER HN 154 VAL HN 3.50 (# 2371:10 Unique 2.29, 2.39 A)
&rst
ixpk= 2371, nxpk= 10, iat=2532,2543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 153 SER HN 155 VAL HN 5.50 (# 2372:10 Unique 3.96, 4.37 A)
&rst
ixpk= 2372, nxpk= 10, iat=2532,2559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 MET HN 155 VAL HN 4.50 (# 2373:10 Unique 2.22, 2.48 A)
&rst
ixpk= 2373, nxpk= 10, iat=2575,2559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 PHE HE 140 LYS HN 4.50 (# 2374:10 Unique 3.84, 5.06 A)
&rst
ixpk= 2374, nxpk= 10, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2279,2283,
&end
#
# 129 TYR HE 155 VAL HN 5.50 (# 2376:10 Unique 3.56, 5.60 A)
&rst
ixpk= 2376, nxpk= 10, iat= -1,2559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2099,2104,
&end
#
# 0 AMB 10-2:2377 155 VAL HN 5.50 (# 2377:10 Single Ambig)
&rst
ixpk= 2377, nxpk= 10, iat= -1,2559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2577,2605,
&end
#
# 0 AMB 10-2:2378 155 VAL HN 5.50 (# 2378:10 Single Ambig)
&rst
ixpk= 2378, nxpk= 10, iat= -1,2559, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 301, 302,2536,2537,2536,2537,
&end
#
# 154 VAL HA 155 VAL HN 5.50 (# 2379:10 Unique 3.43, 3.51 A)
&rst
ixpk= 2379, nxpk= 10, iat=2545,2559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 155 VAL HA 155 VAL HN 4.50 (# 2380:10 Unique 2.77, 2.88 A)
&rst
ixpk= 2380, nxpk= 10, iat=2561,2559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2381 155 VAL HN 5.50 (# 2381:10 Single Ambig)
&rst
ixpk= 2381, nxpk= 10, iat= -1,2559, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2582,2583, 237, 238,
&end
#
# 156 MET HG- 155 VAL HN 5.50 (# 2382:10 Unique 3.86, 4.94 A)
&rst
ixpk= 2382, nxpk= 10, iat= -1,2559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2582,2583,
&end
#
# 154 VAL HB 155 VAL HN 4.50 (# 2383:10 Unique 2.04, 2.68 A)
&rst
ixpk= 2383, nxpk= 10, iat=2547,2559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2384 0 AMB 10-1:2384 5.50 (# 2384:10 Double Ambig)
&rst
ixpk= 2384, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=2318,2319,2315,2316,1284,1285,2610,
igr2=2289,2559,
&end
#
# 155 VAL HB 155 VAL HN 3.50 (# 2385:10 Unique 2.47, 2.71 A)
&rst
ixpk= 2385, nxpk= 10, iat=2563,2559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2386 0 AMB 10-1:2386 5.50 (# 2386:10 Double Ambig)
&rst
ixpk= 2386, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2299,2300,1082,1083,1084,
igr2=2289,2559,
&end
#
# 0 AMB 10-2:2387 155 VAL HN 2.80 (# 2387:10 Single Ambig)
&rst
ixpk= 2387, nxpk= 10, iat= -1,2559, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2565,2566,2567,2569,2570,2571,2549,2550,2551,2553,
2554,2555,
&end
#
# 0 AMB 10-2:2388 155 VAL HN 3.50 (# 2388:10 Single Ambig)
&rst
ixpk= 2388, nxpk= 10, iat= -1,2559, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2565,2566,2567,2569,2570,2571,2549,2550,2551,2553,
2554,2555,
&end
#
# 101 LEU MDY 155 VAL HN 4.50 (# 2389:10 Unique 2.66, 5.38 A)
&rst
ixpk= 2389, nxpk= 10, iat= -1,2559, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1669,1670,1671,1673,1674,1675,
&end
#
# 155 VAL MGX 156 MET HN 3.50 (# 2391:10 Unique 1.91, 3.95 A)
&rst
ixpk= 2391, nxpk= 10, iat= -1,2575, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2565,2566,2567,2569,2570,2571,
&end
#
# 155 VAL MGY 156 MET HN 4.50 (# 2392:10 Unique 1.91, 3.95 A)
&rst
ixpk= 2392, nxpk= 10, iat= -1,2575, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2565,2566,2567,2569,2570,2571,
&end
#
# 155 VAL HB 156 MET HN 3.50 (# 2393:10 Unique 2.07, 3.27 A)
&rst
ixpk= 2393, nxpk= 10, iat=2563,2575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2394 156 MET HN 5.50 (# 2394:10 Single Ambig)
&rst
ixpk= 2394, nxpk= 10, iat= -1,2575, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2607,2608,2610,
&end
#
# 0 AMB 10-2:2395 156 MET HN 2.80 (# 2395:10 Single Ambig)
&rst
ixpk= 2395, nxpk= 10, iat= -1,2575, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2579,2580,2579,2580,
&end
#
# 156 MET HG- 156 MET HN 4.50 (# 2396:10 Unique 2.27, 3.05 A)
&rst
ixpk= 2396, nxpk= 10, iat= -1,2575, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2582,2583,
&end
#
# 156 MET HG+ 156 MET HN 4.50 (# 2397:10 Unique 2.27, 3.05 A)
&rst
ixpk= 2397, nxpk= 10, iat= -1,2575, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2582,2583,
&end
#
# 155 VAL HA 156 MET HN 5.50 (# 2398:10 Unique 3.49, 3.54 A)
&rst
ixpk= 2398, nxpk= 10, iat=2561,2575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 VAL HA 156 MET HN 5.50 (# 2400:10 Unique 4.25, 4.78 A)
&rst
ixpk= 2400, nxpk= 10, iat=2545,2575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2401 156 MET HN 5.50 (# 2401:10 Single Ambig)
&rst
ixpk= 2401, nxpk= 10, iat= -1,2575, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 301, 302,2536,2537,2536,2537,
&end
#
# 156 MET HA 156 MET HN 3.50 (# 2402:10 Unique 2.75, 2.82 A)
&rst
ixpk= 2402, nxpk= 10, iat=2577,2575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 157 SER HA 156 MET HN 5.50 (# 2403:10 Unique 4.81, 5.15 A)
&rst
ixpk= 2403, nxpk= 10, iat=2594,2575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 TYR HE 156 MET HN 5.50 (# 2404:10 Unique 2.90, 6.01 A)
&rst
ixpk= 2404, nxpk= 10, iat= -1,2575, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2099,2104,
&end
#
# 0 AMB 10-2:2405 156 MET HN 3.50 (# 2405:10 Single Ambig)
&rst
ixpk= 2405, nxpk= 10, iat= -1,2575, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2543,2603,
&end
#
# 157 SER HN 156 MET HN 3.50 (# 2406:10 Unique 2.31, 2.61 A)
&rst
ixpk= 2406, nxpk= 10, iat=2592,2575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 153 SER HN 156 MET HN 5.50 (# 2407:10 Unique 4.58, 4.98 A)
&rst
ixpk= 2407, nxpk= 10, iat=2532,2575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 MET HN 157 SER HN 3.50 (# 2409:10 Unique 2.31, 2.61 A)
&rst
ixpk= 2409, nxpk= 10, iat=2575,2592, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 160 GLU HN 157 SER HN 5.50 (# 2410:10 Unique 4.65, 4.80 A)
&rst
ixpk= 2410, nxpk= 10, iat=2639,2592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 158 LEU HN 157 SER HN 3.50 (# 2411:10 Unique 2.33, 2.60 A)
&rst
ixpk= 2411, nxpk= 10, iat=2603,2592, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 157 SER HA 157 SER HN 2.80 (# 2413:10 Unique 2.76, 2.83 A)
&rst
ixpk= 2413, nxpk= 10, iat=2594,2592, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 158 LEU HA 157 SER HN 5.50 (# 2414:10 Unique 4.95, 5.19 A)
&rst
ixpk= 2414, nxpk= 10, iat=2605,2592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2415 157 SER HN 2.80 (# 2415:10 Single Ambig)
&rst
ixpk= 2415, nxpk= 10, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2596,2597,2596,2597,
&end
#
# 154 VAL HA 157 SER HN 4.50 (# 2416:10 Unique 3.57, 3.90 A)
&rst
ixpk= 2416, nxpk= 10, iat=2545,2592, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 155 VAL HA 157 SER HN 5.50 (# 2417:10 Unique 3.68, 3.93 A)
&rst
ixpk= 2417, nxpk= 10, iat=2561,2592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 MET HG+ 157 SER HN 5.50 (# 2418:10 Unique 2.20, 3.87 A)
&rst
ixpk= 2418, nxpk= 10, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2582,2583,
&end
#
# 156 MET HG- 157 SER HN 5.50 (# 2419:10 Unique 2.20, 3.87 A)
&rst
ixpk= 2419, nxpk= 10, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2582,2583,
&end
#
# 0 AMB 10-2:2421 157 SER HN 2.80 (# 2421:10 Single Ambig)
&rst
ixpk= 2421, nxpk= 10, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2579,2580,2579,2580,
&end
#
# 0 AMB 10-2:2422 157 SER HN 4.50 (# 2422:10 Single Ambig)
&rst
ixpk= 2422, nxpk= 10, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2610,2607,2608,
&end
#
# 0 AMB 10-2:2423 157 SER HN 4.50 (# 2423:10 Single Ambig)
&rst
ixpk= 2423, nxpk= 10, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2607,2608,2563,
&end
#
# 0 AMB 10-2:2424 157 SER HN 5.50 (# 2424:10 Single Ambig)
&rst
ixpk= 2424, nxpk= 10, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2565,2566,2567,2569,2570,2571,2549,2550,2551,2553,
2554,2555,
&end
#
# 0 AMB 10-2:2425 157 SER HN 4.50 (# 2425:10 Single Ambig)
&rst
ixpk= 2425, nxpk= 10, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2612,2613,2614,2616,2617,2618,2565,2566,2567,2569,
2570,2571,
&end
#
# 0 AMB 10-2:2426 158 LEU HN 2.80 (# 2426:10 Single Ambig)
&rst
ixpk= 2426, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2612,2613,2614,2616,2617,2618,2612,2613,2614,2616,
2617,2618,
&end
#
# 0 AMB 10-2:2427 158 LEU HN 5.50 (# 2427:10 Single Ambig)
&rst
ixpk= 2427, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2565,2566,2567,2569,2570,2571,2549,2550,2551,2553,
2554,2555,
&end
#
# 158 LEU HB- 158 LEU HN 3.50 (# 2428:10 Unique 2.04, 2.89 A)
&rst
ixpk= 2428, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2607,2608,
&end
#
# 0 AMB 10-2:2429 158 LEU HN 2.80 (# 2429:10 Single Ambig)
&rst
ixpk= 2429, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2607,2608,2610,
&end
#
# 0 AMB 10-2:2430 158 LEU HN 4.50 (# 2430:10 Single Ambig)
&rst
ixpk= 2430, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2643,2644,2626,2627,
&end
#
# 0 AMB 10-2:2431 158 LEU HN 4.50 (# 2431:10 Single Ambig)
&rst
ixpk= 2431, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2579,2580,2579,2580,2626,2627,1705,1706,
&end
#
# 0 AMB 10-2:2432 158 LEU HN 5.50 (# 2432:10 Single Ambig)
&rst
ixpk= 2432, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2629,2630,2629,2630,
&end
#
# 155 VAL HA 158 LEU HN 4.50 (# 2433:10 Unique 3.25, 3.76 A)
&rst
ixpk= 2433, nxpk= 10, iat=2561,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 154 VAL HA 158 LEU HN 5.50 (# 2434:10 Unique 4.79, 5.37 A)
&rst
ixpk= 2434, nxpk= 10, iat=2545,2603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2435 158 LEU HN 3.50 (# 2435:10 Single Ambig)
&rst
ixpk= 2435, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2596,2597,2596,2597,
&end
#
# 0 AMB 10-2:2436 158 LEU HN 2.80 (# 2436:10 Single Ambig)
&rst
ixpk= 2436, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2605,2577,
&end
#
# 157 SER HA 158 LEU HN 3.50 (# 2437:10 Unique 3.35, 3.46 A)
&rst
ixpk= 2437, nxpk= 10, iat=2594,2603, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 156 MET HN 158 LEU HN 5.50 (# 2438:10 Unique 3.90, 4.30 A)
&rst
ixpk= 2438, nxpk= 10, iat=2575,2603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 160 GLU HN 158 LEU HN 5.50 (# 2439:10 Unique 3.36, 3.63 A)
&rst
ixpk= 2439, nxpk= 10, iat=2639,2603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2440 158 LEU HN 2.80 (# 2440:10 Single Ambig)
&rst
ixpk= 2440, nxpk= 10, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2622,2592,
&end
#
# 0 AMB 10-2:2441 159 GLN HN 5.50 (# 2441:10 Single Ambig)
&rst
ixpk= 2441, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2654,2575,
&end
#
# 160 GLU HN 159 GLN HN 2.80 (# 2442:10 Unique 2.22, 2.43 A)
&rst
ixpk= 2442, nxpk= 10, iat=2639,2622, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 158 LEU HN 159 GLN HN 3.50 (# 2443:10 Unique 2.15, 2.55 A)
&rst
ixpk= 2443, nxpk= 10, iat=2603,2622, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 159 GLN HE2- 159 GLN HN 5.50 (# 2444:10 Unique 1.84, 2.57 A)
&rst
ixpk= 2444, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2634,2635,
&end
#
# 0 AMB 10-2:2445 159 GLN HN 2.80 (# 2445:10 Single Ambig)
&rst
ixpk= 2445, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2624,2577,2605,
&end
#
# 0 AMB 10-2:2446 159 GLN HN 5.50 (# 2446:10 Single Ambig)
&rst
ixpk= 2446, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2596,2597,2596,2597,
&end
#
# 155 VAL HA 159 GLN HN 5.50 (# 2447:10 Unique 4.71, 5.28 A)
&rst
ixpk= 2447, nxpk= 10, iat=2561,2622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2448 159 GLN HN 3.50 (# 2448:10 Single Ambig)
&rst
ixpk= 2448, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2629,2630,2629,2630,
&end
#
# 159 GLN HB+ 159 GLN HN 2.80 (# 2449:10 Unique 2.77, 3.28 A)
&rst
ixpk= 2449, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2626,2627,
&end
#
# 0 AMB 10-2:2450 159 GLN HN 2.80 (# 2450:10 Single Ambig)
&rst
ixpk= 2450, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2626,2627,2643,2644,
&end
#
# 158 LEU HB+ 159 GLN HN 3.50 (# 2451:10 Unique 2.27, 3.06 A)
&rst
ixpk= 2451, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2607,2608,
&end
#
# 158 LEU HB- 159 GLN HN 3.50 (# 2452:10 Unique 2.27, 3.06 A)
&rst
ixpk= 2452, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2607,2608,
&end
#
# 155 VAL MGY 159 GLN HN 5.50 (# 2453:10 Unique 4.00, 6.58 A)
&rst
ixpk= 2453, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2565,2566,2567,2569,2570,2571,
&end
#
# 0 AMB 10-2:2454 159 GLN HN 4.50 (# 2454:10 Single Ambig)
&rst
ixpk= 2454, nxpk= 10, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2612,2613,2614,2616,2617,2618,2612,2613,2614,2616,
2617,2618,2565,2566,2567,2569,2570,2571,
&end
#
# 0 AMB 10-2:2455 160 GLU HN 5.50 (# 2455:10 Single Ambig)
&rst
ixpk= 2455, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2612,2613,2614,2616,2617,2618,2612,2613,2614,2616,
2617,2618,
&end
#
# 158 LEU HB- 160 GLU HN 5.50 (# 2457:10 Unique 4.40, 4.86 A)
&rst
ixpk= 2457, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2607,2608,
&end
#
# 0 AMB 10-2:2458 160 GLU HN 5.50 (# 2458:10 Single Ambig)
&rst
ixpk= 2458, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2607,2608,2610,
&end
#
# 160 GLU HB- 160 GLU HN 2.80 (# 2459:10 Unique 2.21, 2.79 A)
&rst
ixpk= 2459, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2643,2644,
&end
#
# 160 GLU HB+ 160 GLU HN 2.80 (# 2460:10 Unique 2.21, 2.79 A)
&rst
ixpk= 2460, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2643,2644,
&end
#
# 0 AMB 10-2:2461 160 GLU HN 4.50 (# 2461:10 Single Ambig)
&rst
ixpk= 2461, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2629,2630,2629,2630,2646,2647,
&end
#
# 161 ASN HB- 160 GLU HN 5.50 (# 2462:10 Unique 3.71, 4.48 A)
&rst
ixpk= 2462, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2658,2659,
&end
#
# 161 ASN HB+ 160 GLU HN 5.50 (# 2463:10 Unique 3.71, 4.48 A)
&rst
ixpk= 2463, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2658,2659,
&end
#
# 0 AMB 10-2:2464 160 GLU HN 5.50 (# 2464:10 Single Ambig)
&rst
ixpk= 2464, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2596,2597,2596,2597,
&end
#
# 159 GLN HE2- 160 GLU HN 5.50 (# 2466:10 Unique 4.01, 4.89 A)
&rst
ixpk= 2466, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2634,2635,
&end
#
# 0 AMB 10-2:2467 160 GLU HN 2.80 (# 2467:10 Single Ambig)
&rst
ixpk= 2467, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2641,2624,
&end
#
# 159 GLN HE2+ 160 GLU HN 5.50 (# 2468:10 Unique 4.01, 4.89 A)
&rst
ixpk= 2468, nxpk= 10, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2634,2635,
&end
#
# 158 LEU HN 160 GLU HN 5.50 (# 2469:10 Unique 3.36, 3.63 A)
&rst
ixpk= 2469, nxpk= 10, iat=2603,2639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 GLN HN 160 GLU HN 2.80 (# 2470:10 Unique 2.22, 2.43 A)
&rst
ixpk= 2470, nxpk= 10, iat=2622,2639, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 161 ASN HN 160 GLU HN 3.50 (# 2471:10 Unique 2.25, 2.45 A)
&rst
ixpk= 2471, nxpk= 10, iat=2654,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 164 LYS HN 161 ASN HN 4.50 (# 2472:10 Unique 3.36, 3.54 A)
&rst
ixpk= 2472, nxpk= 10, iat=2696,2654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2473 161 ASN HN 4.50 (# 2473:10 Single Ambig)
&rst
ixpk= 2473, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2663,2664,2622,
&end
#
# 161 ASN HD2- 161 ASN HN 5.50 (# 2474:10 Unique 2.83, 4.27 A)
&rst
ixpk= 2474, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2663,2664,
&end
#
# 0 AMB 10-2:2476 161 ASN HN 3.50 (# 2476:10 Single Ambig)
&rst
ixpk= 2476, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2641,2624,
&end
#
# 161 ASN HB- 161 ASN HN 2.80 (# 2477:10 Unique 2.66, 3.24 A)
&rst
ixpk= 2477, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2658,2659,
&end
#
# 161 ASN HB+ 161 ASN HN 2.80 (# 2478:10 Unique 2.66, 3.24 A)
&rst
ixpk= 2478, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2658,2659,
&end
#
# 0 AMB 10-2:2479 161 ASN HN 4.50 (# 2479:10 Single Ambig)
&rst
ixpk= 2479, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2646,2647,2629,2630,2629,2630,
&end
#
# 160 GLU HB- 161 ASN HN 4.50 (# 2480:10 Unique 3.86, 4.17 A)
&rst
ixpk= 2480, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2643,2644,
&end
#
# 0 AMB 10-2:2481 161 ASN HN 3.50 (# 2481:10 Single Ambig)
&rst
ixpk= 2481, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2686,2687,2643,2644,
&end
#
# 0 AMB 10-2:2482 161 ASN HN 5.50 (# 2482:10 Single Ambig)
&rst
ixpk= 2482, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2607,2608,2610,
&end
#
# 158 LEU HB- 161 ASN HN 5.50 (# 2483:10 Unique 5.36, 5.89 A)
&rst
ixpk= 2483, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2607,2608,
&end
#
# 162 THR MG2 161 ASN HN 5.50 (# 2484:10 Unique 5.26, 5.99 A)
&rst
ixpk= 2484, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2674,2675,2676,
&end
#
# 0 AMB 10-2:2485 161 ASN HN 5.50 (# 2485:10 Single Ambig)
&rst
ixpk= 2485, nxpk= 10, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2612,2613,2614,2616,2617,2618,2612,2613,2614,2616,
2617,2618,
&end
#
# 162 THR MG2 162 THR HN 3.50 (# 2486:10 Unique 4.02, 4.42 A)
&rst
ixpk= 2486, nxpk= 10, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2674,2675,2676,
&end
#
# 0 AMB 10-2:2487 162 THR HN 5.50 (# 2487:10 Single Ambig)
&rst
ixpk= 2487, nxpk= 10, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2643,2644,2579,2580,
&end
#
# 0 AMB 10-2:2488 162 THR HN 5.50 (# 2488:10 Single Ambig)
&rst
ixpk= 2488, nxpk= 10, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2643,2644,2626,2627,
&end
#
# 163 PRO HB+ 162 THR HN 5.50 (# 2489:10 Unique 5.17, 5.84 A)
&rst
ixpk= 2489, nxpk= 10, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2689,2690,
&end
#
# 161 ASN HB+ 162 THR HN 4.50 (# 2490:10 Unique 2.51, 3.29 A)
&rst
ixpk= 2490, nxpk= 10, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2658,2659,
&end
#
# 161 ASN HB- 162 THR HN 4.50 (# 2491:10 Unique 2.51, 3.29 A)
&rst
ixpk= 2491, nxpk= 10, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2658,2659,
&end
#
# 163 PRO HD- 162 THR HN 5.50 (# 2492:10 Unique 1.72, 2.57 A)
&rst
ixpk= 2492, nxpk= 10, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2683,2684,
&end
#
# 163 PRO HD+ 162 THR HN 5.50 (# 2493:10 Unique 1.72, 2.57 A)
&rst
ixpk= 2493, nxpk= 10, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2683,2684,
&end
#
# 162 THR HB 162 THR HN 4.50 (# 2494:10 Unique 2.22, 2.44 A)
&rst
ixpk= 2494, nxpk= 10, iat=2672,2668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 162 THR HA 162 THR HN 2.80 (# 2495:10 Unique 2.75, 2.80 A)
&rst
ixpk= 2495, nxpk= 10, iat=2670,2668, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 161 ASN HN 162 THR HN 3.50 (# 2499:10 Unique 1.88, 2.00 A)
&rst
ixpk= 2499, nxpk= 10, iat=2654,2668, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 163 PRO HA 164 LYS HN 3.50 (# 2500:10 Unique 3.35, 3.51 A)
&rst
ixpk= 2500, nxpk= 10, iat=2692,2696, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 164 LYS HA 164 LYS HN 4.50 (# 2501:10 Unique 2.28, 2.78 A)
&rst
ixpk= 2501, nxpk= 10, iat=2698,2696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 163 PRO HD- 164 LYS HN 5.50 (# 2502:10 Unique 2.65, 3.25 A)
&rst
ixpk= 2502, nxpk= 10, iat= -1,2696, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2683,2684,
&end
#
# 163 PRO HB+ 164 LYS HN 5.50 (# 2503:10 Unique 3.33, 3.79 A)
&rst
ixpk= 2503, nxpk= 10, iat= -1,2696, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2689,2690,
&end
#
# 0 AMB 10-2:2504 164 LYS HN 5.50 (# 2504:10 Single Ambig)
&rst
ixpk= 2504, nxpk= 10, iat= -1,2696, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2686,2687,2689,2690,
&end
#
# 164 LYS HB- 164 LYS HN 3.50 (# 2506:10 Unique 2.06, 2.84 A)
&rst
ixpk= 2506, nxpk= 10, iat= -1,2696, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2700,2701,
&end
#
# 0 AMB 10-2:2507 164 LYS HN 4.50 (# 2507:10 Single Ambig)
&rst
ixpk= 2507, nxpk= 10, iat= -1,2696, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2703,2704,2703,2704,
&end
#
# 0 AMB 10-2:2508 126 TRP HE1 5.50 (# 2508:10 Single Ambig)
&rst
ixpk= 2508, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1768,2038,
&end
#
# 126 TRP HZ2 126 TRP HE1 4.50 (# 2509:10 Unique 2.82, 2.82 A)
&rst
ixpk= 2509, nxpk= 10, iat=2051,2048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 TRP HD1 126 TRP HE1 2.80 (# 2510:10 Unique 2.57, 2.57 A)
&rst
ixpk= 2510, nxpk= 10, iat=2046,2048, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 126 TRP HH2 126 TRP HE1 5.50 (# 2511:10 Unique 4.96, 4.97 A)
&rst
ixpk= 2511, nxpk= 10, iat=2053,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ASP HA 126 TRP HE1 5.50 (# 2514:10 Unique 3.89, 4.84 A)
&rst
ixpk= 2514, nxpk= 10, iat=1770,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2515 126 TRP HE1 4.50 (# 2515:10 Single Ambig)
&rst
ixpk= 2515, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1772,1773,1772,1773,
&end
#
# 104 LEU MDY 126 TRP HE1 5.50 (# 2516:10 Unique 3.80, 5.99 A)
&rst
ixpk= 2516, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 111 ILE QD1 126 TRP HE1 5.50 (# 2517:10 Unique 4.34, 5.72 A)
&rst
ixpk= 2517, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1818,1819,1820,
&end
#
# 74 TRP HN 74 TRP HE1 5.50 (# 2518:10 Unique 4.21, 4.64 A)
&rst
ixpk= 2518, nxpk= 10, iat=1151,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TRP HZ2 74 TRP HE1 2.80 (# 2519:10 Unique 2.82, 2.82 A)
&rst
ixpk= 2519, nxpk= 10, iat=1164,1161, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 TRP HD1 74 TRP HE1 2.80 (# 2520:10 Unique 2.57, 2.57 A)
&rst
ixpk= 2520, nxpk= 10, iat=1159,1161, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 TRP HH2 74 TRP HE1 5.50 (# 2521:10 Unique 4.96, 4.97 A)
&rst
ixpk= 2521, nxpk= 10, iat=1166,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ASN HA 74 TRP HE1 5.50 (# 2522:10 Unique 4.25, 5.14 A)
&rst
ixpk= 2522, nxpk= 10, iat=1139,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ASN HB+ 74 TRP HE1 5.50 (# 2525:10 Unique 3.99, 6.23 A)
&rst
ixpk= 2525, nxpk= 10, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1141,1142,
&end
#
# 74 TRP HB+ 74 TRP HE1 5.50 (# 2526:10 Unique 4.77, 5.03 A)
&rst
ixpk= 2526, nxpk= 10, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155,1156,
&end
#
# 98 LYS HE+ 74 TRP HE1 5.50 (# 2527:10 Unique 2.69, 4.23 A)
&rst
ixpk= 2527, nxpk= 10, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1607,1608,
&end
#
# 98 LYS HE- 74 TRP HE1 5.50 (# 2528:10 Unique 2.69, 4.23 A)
&rst
ixpk= 2528, nxpk= 10, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1607,1608,
&end
#
# 46 ALA MB 74 TRP HE1 5.50 (# 2529:10 Unique 4.16, 5.25 A)
&rst
ixpk= 2529, nxpk= 10, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 700, 701, 702,
&end
#
# 98 LYS HD+ 74 TRP HE1 5.50 (# 2530:10 Unique 3.97, 5.56 A)
&rst
ixpk= 2530, nxpk= 10, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1604,1605,
&end
#
# 0 AMB 10-2:2531 74 TRP HE1 5.50 (# 2531:10 Single Ambig)
&rst
ixpk= 2531, nxpk= 10, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1562,1563, 626, 627,
&end
#
# 0 AMB 10-2:2533 74 TRP HE1 5.50 (# 2533:10 Single Ambig)
&rst
ixpk= 2533, nxpk= 10, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1565,1566,1601,1602,
&end
#
# 26 ARG HG- 33 TRP HE1 5.50 (# 2534:10 Unique 3.65, 5.88 A)
&rst
ixpk= 2534, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 0 AMB 10-2:2535 33 TRP HE1 5.50 (# 2535:10 Single Ambig)
&rst
ixpk= 2535, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 394, 395, 394, 395,
&end
#
# 26 ARG HG+ 33 TRP HE1 5.50 (# 2536:10 Unique 3.65, 5.88 A)
&rst
ixpk= 2536, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 0 AMB 10-2:2537 33 TRP HE1 5.50 (# 2537:10 Single Ambig)
&rst
ixpk= 2537, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 514, 515,2021,2022,
&end
#
# 33 TRP HB+ 33 TRP HE1 5.50 (# 2538:10 Unique 4.76, 5.03 A)
&rst
ixpk= 2538, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 514, 515,
&end
#
# 0 AMB 10-2:2542 33 TRP HE1 5.50 (# 2542:10 Single Ambig)
&rst
ixpk= 2542, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 400, 401, 400, 401,1994,1995,1955,1956,
&end
#
# 33 TRP HH2 33 TRP HE1 5.50 (# 2548:10 Unique 4.96, 4.96 A)
&rst
ixpk= 2548, nxpk= 10, iat= 525, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HD1 33 TRP HE1 2.80 (# 2549:10 Unique 2.57, 2.57 A)
&rst
ixpk= 2549, nxpk= 10, iat= 518, 520, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 TRP HZ2 33 TRP HE1 3.50 (# 2550:10 Unique 2.82, 2.82 A)
&rst
ixpk= 2550, nxpk= 10, iat= 523, 520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2552 130 TRP HE1 5.50 (# 2552:10 Single Ambig)
&rst
ixpk= 2552, nxpk= 10, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2089,2575,
&end
#
# 130 TRP HZ2 130 TRP HE1 3.50 (# 2553:10 Unique 2.82, 2.82 A)
&rst
ixpk= 2553, nxpk= 10, iat=2123,2120, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 TRP HD1 130 TRP HE1 2.80 (# 2554:10 Unique 2.57, 2.57 A)
&rst
ixpk= 2554, nxpk= 10, iat=2118,2120, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 TRP HH2 130 TRP HE1 5.50 (# 2555:10 Unique 4.96, 4.97 A)
&rst
ixpk= 2555, nxpk= 10, iat=2125,2120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 TYR HD 130 TRP HE1 4.50 (# 2556:10 Unique 3.38, 5.30 A)
&rst
ixpk= 2556, nxpk= 10, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2097,2106,
&end
#
# 0 AMB 10-2:2558 130 TRP HE1 5.50 (# 2558:10 Single Ambig)
&rst
ixpk= 2558, nxpk= 10, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2082,2083,2082,2083,
&end
#
# 130 TRP HB+ 130 TRP HE1 5.50 (# 2559:10 Unique 4.75, 4.98 A)
&rst
ixpk= 2559, nxpk= 10, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2114,2115,
&end
#
# 129 TYR HB+ 130 TRP HE1 5.50 (# 2560:10 Unique 2.72, 3.73 A)
&rst
ixpk= 2560, nxpk= 10, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2093,2094,
&end
#
# 0 AMB 10-2:2561 130 TRP HE1 5.50 (# 2561:10 Single Ambig)
&rst
ixpk= 2561, nxpk= 10, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2093,2094,2582,2583,
&end
#
# 156 MET ME 130 TRP HE1 5.50 (# 2562:10 Unique 2.19, 5.17 A)
&rst
ixpk= 2562, nxpk= 10, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2586,2587,2588,
&end
#
# 152 ALA MB 130 TRP HE1 5.50 (# 2563:10 Unique 4.23, 5.51 A)
&rst
ixpk= 2563, nxpk= 10, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2526,2527,2528,
&end
#
# 0 AMB 10-2:2568 24 TRP HE1 5.50 (# 2568:10 Single Ambig)
&rst
ixpk= 2568, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2068,2069,2070,2072,2073,2074,2232,2233,2234,2236,
2237,2238,
&end
#
# 33 TRP HB+ 24 TRP HE1 5.50 (# 2570:10 Unique 2.40, 2.99 A)
&rst
ixpk= 2570, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 514, 515,
&end
#
# 135 GLN HB+ 24 TRP HE1 5.50 (# 2571:10 Unique 2.43, 3.94 A)
&rst
ixpk= 2571, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2213,2214,
&end
#
# 24 TRP HD1 24 TRP HE1 4.50 (# 2572:10 Unique 2.57, 2.57 A)
&rst
ixpk= 2572, nxpk= 10, iat= 364, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 TYR HE 24 TRP HE1 4.50 (# 2573:10 Unique 2.30, 5.75 A)
&rst
ixpk= 2573, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2144,2149,
&end
#
# 135 GLN HE2+ 24 TRP HE1 5.50 (# 2574:10 Unique 1.90, 5.32 A)
&rst
ixpk= 2574, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2221,2222,
&end
#
# 0 AMB 10-2:2575 24 TRP HE1 5.50 (# 2575:10 Single Ambig)
&rst
ixpk= 2575, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 371, 525,
&end
#
# 24 TRP HZ2 24 TRP HE1 5.50 (# 2576:10 Unique 2.82, 2.82 A)
&rst
ixpk= 2576, nxpk= 10, iat= 369, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HN 24 TRP HE1 5.50 (# 2577:10 Unique 4.59, 5.10 A)
&rst
ixpk= 2577, nxpk= 10, iat= 510, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 VAL MGY 99 TRP HE1 5.50 (# 2578:10 Unique 3.30, 5.73 A)
&rst
ixpk= 2578, nxpk= 10, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2438,2439,2440,2442,2443,2444,
&end
#
# 0 AMB 10-2:2579 99 TRP HE1 4.50 (# 2579:10 Single Ambig)
&rst
ixpk= 2579, nxpk= 10, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 10-2:2580 99 TRP HE1 4.50 (# 2580:10 Single Ambig)
&rst
ixpk= 2580, nxpk= 10, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 97 GLN HB- 99 TRP HE1 4.50 (# 2581:10 Unique 2.36, 4.73 A)
&rst
ixpk= 2581, nxpk= 10, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1581,1582,
&end
#
# 75 LEU HB+ 99 TRP HE1 5.50 (# 2582:10 Unique 1.98, 3.55 A)
&rst
ixpk= 2582, nxpk= 10, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1179,1180,
&end
#
# 97 GLN HB+ 99 TRP HE1 4.50 (# 2583:10 Unique 2.36, 4.73 A)
&rst
ixpk= 2583, nxpk= 10, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1581,1582,
&end
#
# 99 TRP HD1 99 TRP HE1 4.50 (# 2585:10 Unique 2.57, 2.57 A)
&rst
ixpk= 2585, nxpk= 10, iat=1624,1626, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 TRP HZ2 99 TRP HE1 5.50 (# 2588:10 Unique 2.82, 2.82 A)
&rst
ixpk= 2588, nxpk= 10, iat=1629,1626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2592 86 TRP HE1 5.50 (# 2592:10 Single Ambig)
&rst
ixpk= 2592, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1375,1501,
&end
#
# 86 TRP HN 86 TRP HE1 5.50 (# 2593:10 Unique 4.26, 4.85 A)
&rst
ixpk= 2593, nxpk= 10, iat=1399,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ARG HA 86 TRP HE1 5.50 (# 2595:10 Unique 4.78, 5.33 A)
&rst
ixpk= 2595, nxpk= 10, iat=1377,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2596 86 TRP HE1 4.50 (# 2596:10 Single Ambig)
&rst
ixpk= 2596, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1318,1401,
&end
#
# 81 LYS HA 86 TRP HE1 5.50 (# 2597:10 Unique 2.13, 3.08 A)
&rst
ixpk= 2597, nxpk= 10, iat=1296,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2598 86 TRP HE1 4.50 (# 2598:10 Single Ambig)
&rst
ixpk= 2598, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1403,1404,1361,
&end
#
# 0 AMB 10-2:2599 86 TRP HE1 4.50 (# 2599:10 Single Ambig)
&rst
ixpk= 2599, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1307,1308,1307,1308,
&end
#
# 81 LYS HB- 86 TRP HE1 5.50 (# 2600:10 Unique 1.96, 3.87 A)
&rst
ixpk= 2600, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1298,1299,
&end
#
# 0 AMB 10-2:2601 86 TRP HE1 4.50 (# 2601:10 Single Ambig)
&rst
ixpk= 2601, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1304,1305,1304,1305,
&end
#
# 0 AMB 10-2:2602 86 TRP HE1 2.80 (# 2602:10 Single Ambig)
&rst
ixpk= 2602, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1363,1301,1302,
&end
#
# 84 VAL MGY 86 TRP HE1 4.50 (# 2603:10 Unique 2.72, 4.09 A)
&rst
ixpk= 2603, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 91 VAL MGX 86 TRP HE1 5.50 (# 2605:10 Unique 4.11, 6.54 A)
&rst
ixpk= 2605, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1491,1492,1493,1495,1496,1497,
&end
#
# 84 VAL MGX 86 TRP HE1 3.50 (# 2606:10 Unique 2.72, 4.09 A)
&rst
ixpk= 2606, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1365,1366,1367,1369,1370,1371,
&end
#
# 76 ARG HD- 76 ARG HE 5.50 (# 2627:10 Unique 2.30, 2.75 A)
&rst
ixpk= 2627, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 158 LEU MDY 161 ASN HD2+ 5.50 (# 2632:10 Unique 3.59, 7.21 A)
&rst
ixpk= 2632, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2612,2613,2614,2616,2617,2618,
igr2=2663,2664,
&end
#
# 158 LEU MDY 161 ASN HD2- 5.50 (# 2633:10 Unique 3.59, 7.21 A)
&rst
ixpk= 2633, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2612,2613,2614,2616,2617,2618,
igr2=2663,2664,
&end
#
# 0 AMB 10-2:2635 161 ASN HD2- 5.50 (# 2635:10 Single Ambig)
&rst
ixpk= 2635, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2686,2687,2579,2580,2579,2580,2626,2627,
igr2=2663,2664,
&end
#
# 161 ASN HB+ 161 ASN HD2+ 2.80 (# 2636:10 Unique 2.18, 3.34 A)
&rst
ixpk= 2636, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2658,2659,
igr2=2663,2664,
&end
#
# 161 ASN HB- 161 ASN HD2+ 2.80 (# 2637:10 Unique 2.18, 3.34 A)
&rst
ixpk= 2637, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2658,2659,
igr2=2663,2664,
&end
#
# 161 ASN HB+ 161 ASN HD2- 4.50 (# 2638:10 Unique 2.18, 3.34 A)
&rst
ixpk= 2638, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2658,2659,
igr2=2663,2664,
&end
#
# 161 ASN HB- 161 ASN HD2- 3.50 (# 2639:10 Unique 2.18, 3.34 A)
&rst
ixpk= 2639, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2658,2659,
igr2=2663,2664,
&end
#
# 0 AMB 10-2:2640 0 AMB 10-1:2640 5.50 (# 2640:10 Double Ambig)
&rst
ixpk= 2640, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2596,2597,2596,2597,
igr2=2663,2664,2663,2664,
&end
#
# 0 AMB 10-2:2641 161 ASN HD2- 5.50 (# 2641:10 Single Ambig)
&rst
ixpk= 2641, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2596,2597,2596,2597,
igr2=2663,2664,
&end
#
# 158 LEU HA 161 ASN HD2+ 5.50 (# 2642:10 Unique 2.93, 4.44 A)
&rst
ixpk= 2642, nxpk= 10, iat=2605, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2663,2664,
&end
#
# 158 LEU HA 161 ASN HD2- 5.50 (# 2644:10 Unique 2.93, 4.44 A)
&rst
ixpk= 2644, nxpk= 10, iat=2605, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2663,2664,
&end
#
# 161 ASN HN 161 ASN HD2+ 5.50 (# 2648:10 Unique 2.83, 4.27 A)
&rst
ixpk= 2648, nxpk= 10, iat=2654, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2663,2664,
&end
#
# 161 ASN HN 161 ASN HD2- 5.50 (# 2649:10 Unique 2.83, 4.27 A)
&rst
ixpk= 2649, nxpk= 10, iat=2654, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2663,2664,
&end
#
# 18 ARG HA 103 GLN HE2+ 5.50 (# 2652:10 Unique 3.33, 5.19 A)
&rst
ixpk= 2652, nxpk= 10, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1710,1711,
&end
#
# 18 ARG HA 103 GLN HE2- 5.50 (# 2653:10 Unique 3.33, 5.19 A)
&rst
ixpk= 2653, nxpk= 10, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1710,1711,
&end
#
# 0 AMB 10-2:2654 0 AMB 10-1:2654 5.50 (# 2654:10 Double Ambig)
&rst
ixpk= 2654, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 268, 269, 268, 269,
igr2=1710,1711,1710,1711,
&end
#
# 0 AMB 10-2:2656 0 AMB 10-1:2656 4.50 (# 2656:10 Double Ambig)
&rst
ixpk= 2656, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1705,1706,1705,1706,
igr2=1710,1711,1710,1711,
&end
#
# 0 AMB 10-2:2657 103 GLN HE2- 4.50 (# 2657:10 Single Ambig)
&rst
ixpk= 2657, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1705,1706,1705,1706,
igr2=1710,1711,
&end
#
# 0 AMB 10-2:2658 103 GLN HE2- 4.50 (# 2658:10 Single Ambig)
&rst
ixpk= 2658, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1702,1703,2607,2608, 262, 263,
igr2=1710,1711,
&end
#
# 0 AMB 10-2:2659 0 AMB 10-1:2659 4.50 (# 2659:10 Double Ambig)
&rst
ixpk= 2659, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 265, 266, 262, 263,1020,1021,
igr2=1710,1711,1710,1711,1710,1711,
&end
#
# 0 AMB 10-2:2660 0 AMB 10-1:2660 5.50 (# 2660:10 Double Ambig)
&rst
ixpk= 2660, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 265, 266,1023,1024,
igr2=1710,1711,1710,1711,
&end
#
# 0 AMB 10-2:2661 103 GLN HE2- 5.50 (# 2661:10 Single Ambig)
&rst
ixpk= 2661, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 265, 266,1023,1024,
igr2=1710,1711,
&end
#
# 0 AMB 10-2:2662 0 AMB 10-1:2662 3.50 (# 2662:10 Double Ambig)
&rst
ixpk= 2662, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2565,2566,2567,2569,2570,2571,2612,2613,2614,2616,
2617,2618,2549,2550,2551,2553,2554,2555,
igr2=1710,1711,1710,1711,1710,1711,
&end
#
# 0 AMB 10-2:2663 103 GLN HE2- 3.50 (# 2663:10 Single Ambig)
&rst
ixpk= 2663, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2565,2566,2567,2569,2570,2571,2612,2613,2614,2616,
2617,2618,2549,2550,2551,2553,2554,2555,
igr2=1710,1711,
&end
#
# 79 LEU MDX 95 GLN HE2+ 5.50 (# 2664:10 Unique 1.94, 4.51 A)
&rst
ixpk= 2664, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1550,1551,
&end
#
# 79 LEU MDX 95 GLN HE2- 5.50 (# 2665:10 Unique 1.94, 4.51 A)
&rst
ixpk= 2665, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1550,1551,
&end
#
# 0 AMB 10-2:2666 0 AMB 10-1:2666 5.50 (# 2666:10 Double Ambig)
&rst
ixpk= 2666, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1270,1271,1272,1274,1275,1276,1349,1350,1351,1353,
1354,1355,1349,1350,1351,1353,1354,1355,
igr2=1550,1551,1550,1551,1550,1551,
&end
#
# 0 AMB 10-2:2667 95 GLN HE2- 5.50 (# 2667:10 Single Ambig)
&rst
ixpk= 2667, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1270,1271,1272,1274,1275,1276,1349,1350,1351,1353,
1354,1355,1349,1350,1351,1353,1354,1355,
igr2=1550,1551,
&end
#
# 0 AMB 10-2:2668 0 AMB 10-1:2668 5.50 (# 2668:10 Double Ambig)
&rst
ixpk= 2668, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1542,1543,1344,1345,
igr2=1550,1551,1550,1551,
&end
#
# 0 AMB 10-2:2669 95 GLN HE2- 5.50 (# 2669:10 Single Ambig)
&rst
ixpk= 2669, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1542,1543,1344,1345,
igr2=1550,1551,
&end
#
# 0 AMB 10-2:2670 0 AMB 10-1:2670 4.50 (# 2670:10 Double Ambig)
&rst
ixpk= 2670, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 108, 109, 108, 109,1542,1543,
igr2=1550,1551,1550,1551,1550,1551,
&end
#
# 0 AMB 10-2:2671 95 GLN HE2- 5.50 (# 2671:10 Single Ambig)
&rst
ixpk= 2671, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 108, 109, 108, 109,1542,1543,
igr2=1550,1551,
&end
#
# 95 GLN HG- 95 GLN HE2- 4.50 (# 2672:10 Unique 2.12, 3.21 A)
&rst
ixpk= 2672, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1545,1546,
igr2=1550,1551,
&end
#
# 95 GLN HG+ 95 GLN HE2- 4.50 (# 2673:10 Unique 2.12, 3.21 A)
&rst
ixpk= 2673, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1545,1546,
igr2=1550,1551,
&end
#
# 95 GLN HG+ 95 GLN HE2+ 4.50 (# 2674:10 Unique 2.12, 3.21 A)
&rst
ixpk= 2674, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1545,1546,
igr2=1550,1551,
&end
#
# 95 GLN HG- 95 GLN HE2+ 4.50 (# 2675:10 Unique 2.12, 3.21 A)
&rst
ixpk= 2675, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1545,1546,
igr2=1550,1551,
&end
#
# 95 GLN HA 95 GLN HE2+ 5.50 (# 2676:10 Unique 2.06, 4.21 A)
&rst
ixpk= 2676, nxpk= 10, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1550,1551,
&end
#
# 95 GLN HA 95 GLN HE2- 5.50 (# 2677:10 Unique 2.06, 4.21 A)
&rst
ixpk= 2677, nxpk= 10, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1550,1551,
&end
#
# 0 AMB 10-2:2678 0 AMB 10-1:2678 4.50 (# 2678:10 Double Ambig)
&rst
ixpk= 2678, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1559,1560,1198,1199, 31, 32,
igr2= 151, 152, 151, 152, 151, 152,
&end
#
# 95 GLN HB- 10 ASN HD2- 5.50 (# 2679:10 Unique 1.92, 3.94 A)
&rst
ixpk= 2679, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1542,1543,
igr2= 151, 152,
&end
#
# 8 ARG HG- 10 ASN HD2- 5.50 (# 2680:10 Unique 1.92, 4.04 A)
&rst
ixpk= 2680, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 111, 112,
igr2= 151, 152,
&end
#
# 8 ARG HG- 10 ASN HD2+ 3.50 (# 2681:10 Unique 1.92, 4.04 A)
&rst
ixpk= 2681, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 111, 112,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:2682 0 AMB 10-1:2682 4.50 (# 2682:10 Double Ambig)
&rst
ixpk= 2682, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 108, 109, 108, 109, 111, 112,1542,1543,
igr2= 151, 152, 151, 152, 151, 152, 151, 152,
&end
#
# 0 AMB 10-2:2683 10 ASN HD2- 4.50 (# 2683:10 Single Ambig)
&rst
ixpk= 2683, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 108, 109, 108, 109, 111, 112,1542,1543,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:2684 0 AMB 10-1:2684 5.50 (# 2684:10 Double Ambig)
&rst
ixpk= 2684, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1581,1582,1545,1546,
igr2= 151, 152, 151, 152,
&end
#
# 0 AMB 10-2:2685 10 ASN HD2- 5.50 (# 2685:10 Single Ambig)
&rst
ixpk= 2685, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1581,1582,1545,1546,
igr2= 151, 152,
&end
#
# 10 ASN HB- 10 ASN HD2+ 5.50 (# 2686:10 Unique 2.11, 3.20 A)
&rst
ixpk= 2686, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 146, 147,
igr2= 151, 152,
&end
#
# 10 ASN HB+ 10 ASN HD2+ 5.50 (# 2687:10 Unique 2.11, 3.20 A)
&rst
ixpk= 2687, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 146, 147,
igr2= 151, 152,
&end
#
# 10 ASN HB- 10 ASN HD2- 5.50 (# 2688:10 Unique 2.11, 3.20 A)
&rst
ixpk= 2688, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 146, 147,
igr2= 151, 152,
&end
#
# 10 ASN HB+ 10 ASN HD2- 5.50 (# 2689:10 Unique 2.11, 3.20 A)
&rst
ixpk= 2689, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 146, 147,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:2690 0 AMB 10-1:2690 5.50 (# 2690:10 Double Ambig)
&rst
ixpk= 2690, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 44, 45,1620,1621,
igr2= 151, 152, 151, 152,
&end
#
# 39 GLY HA- 10 ASN HD2+ 5.50 (# 2692:10 Unique 3.79, 5.85 A)
&rst
ixpk= 2692, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 611, 612,
igr2= 151, 152,
&end
#
# 39 GLY HA- 10 ASN HD2- 5.50 (# 2693:10 Unique 3.79, 5.85 A)
&rst
ixpk= 2693, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 611, 612,
igr2= 151, 152,
&end
#
# 39 GLY HA+ 10 ASN HD2+ 5.50 (# 2694:10 Unique 3.79, 5.85 A)
&rst
ixpk= 2694, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 611, 612,
igr2= 151, 152,
&end
#
# 39 GLY HA+ 10 ASN HD2- 5.50 (# 2695:10 Unique 3.79, 5.85 A)
&rst
ixpk= 2695, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 611, 612,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:2697 10 ASN HD2- 4.50 (# 2697:10 Single Ambig)
&rst
ixpk= 2697, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 138, 144,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:2698 0 AMB 10-1:2698 4.50 (# 2698:10 Double Ambig)
&rst
ixpk= 2698, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 138, 144,
igr2= 151, 152, 151, 152,
&end
#
# 96 LYS HN 10 ASN HD2+ 5.50 (# 2699:10 Unique 2.51, 3.78 A)
&rst
ixpk= 2699, nxpk= 10, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 151, 152,
&end
#
# 96 LYS HN 10 ASN HD2- 5.50 (# 2700:10 Unique 2.51, 3.78 A)
&rst
ixpk= 2700, nxpk= 10, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 151, 152,
&end
#
# 11 VAL HN 10 ASN HD2+ 5.50 (# 2701:10 Unique 4.01, 5.16 A)
&rst
ixpk= 2701, nxpk= 10, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 151, 152,
&end
#
# 10 ASN HN 10 ASN HD2+ 5.50 (# 2702:10 Unique 1.89, 3.96 A)
&rst
ixpk= 2702, nxpk= 10, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 151, 152,
&end
#
# 11 VAL HN 10 ASN HD2- 5.50 (# 2703:10 Unique 4.01, 5.16 A)
&rst
ixpk= 2703, nxpk= 10, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 151, 152,
&end
#
# 10 ASN HN 10 ASN HD2- 5.50 (# 2704:10 Unique 1.89, 3.96 A)
&rst
ixpk= 2704, nxpk= 10, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 151, 152,
&end
#
# 18 ARG HG- 19 GLN HE2+ 5.50 (# 2707:10 Unique 4.28, 6.19 A)
&rst
ixpk= 2707, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 265, 266,
igr2= 294, 295,
&end
#
# 18 ARG HG- 19 GLN HE2- 5.50 (# 2708:10 Unique 4.28, 6.19 A)
&rst
ixpk= 2708, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 265, 266,
igr2= 294, 295,
&end
#
# 19 GLN HB- 19 GLN HE2- 4.50 (# 2709:10 Unique 1.92, 3.98 A)
&rst
ixpk= 2709, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 286, 287,
igr2= 294, 295,
&end
#
# 19 GLN HB- 19 GLN HE2+ 4.50 (# 2710:10 Unique 1.92, 3.98 A)
&rst
ixpk= 2710, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 286, 287,
igr2= 294, 295,
&end
#
# 18 ARG HB+ 19 GLN HE2+ 5.50 (# 2711:10 Unique 4.36, 6.66 A)
&rst
ixpk= 2711, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 262, 263,
igr2= 294, 295,
&end
#
# 18 ARG HB+ 19 GLN HE2- 5.50 (# 2712:10 Unique 4.36, 6.66 A)
&rst
ixpk= 2712, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 262, 263,
igr2= 294, 295,
&end
#
# 19 GLN HG+ 19 GLN HE2- 4.50 (# 2713:10 Unique 2.12, 3.29 A)
&rst
ixpk= 2713, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 289, 290,
igr2= 294, 295,
&end
#
# 19 GLN HG+ 19 GLN HE2+ 3.50 (# 2714:10 Unique 2.12, 3.29 A)
&rst
ixpk= 2714, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 289, 290,
igr2= 294, 295,
&end
#
# 0 AMB 10-2:2715 0 AMB 10-1:2715 3.50 (# 2715:10 Double Ambig)
&rst
ixpk= 2715, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 286, 287, 289, 290,
igr2= 294, 295, 294, 295,
&end
#
# 0 AMB 10-2:2716 19 GLN HE2- 4.50 (# 2716:10 Single Ambig)
&rst
ixpk= 2716, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 286, 287, 289, 290,
igr2= 294, 295,
&end
#
# 17 ASN HB+ 19 GLN HE2+ 5.50 (# 2717:10 Unique 1.91, 3.06 A)
&rst
ixpk= 2717, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 248, 249,
igr2= 294, 295,
&end
#
# 17 ASN HB+ 19 GLN HE2- 5.50 (# 2718:10 Unique 1.91, 3.06 A)
&rst
ixpk= 2718, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 248, 249,
igr2= 294, 295,
&end
#
# 19 GLN HA 19 GLN HE2+ 5.50 (# 2719:10 Unique 4.49, 5.33 A)
&rst
ixpk= 2719, nxpk= 10, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 294, 295,
&end
#
# 19 GLN HA 19 GLN HE2- 5.50 (# 2720:10 Unique 4.49, 5.33 A)
&rst
ixpk= 2720, nxpk= 10, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 294, 295,
&end
#
# 18 ARG HN 19 GLN HE2+ 5.50 (# 2721:10 Unique 3.10, 5.38 A)
&rst
ixpk= 2721, nxpk= 10, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 294, 295,
&end
#
# 0 AMB 10-2:2723 0 AMB 10-1:2723 4.50 (# 2723:10 Double Ambig)
&rst
ixpk= 2723, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 418, 419,1926,1927,
igr2= 477, 478,1867,1868,
&end
#
# 119 PRO HG- 114 GLN HE2- 5.50 (# 2724:10 Unique 2.38, 6.23 A)
&rst
ixpk= 2724, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1926,1927,
igr2=1867,1868,
&end
#
# 119 PRO HG+ 114 GLN HE2- 5.50 (# 2725:10 Unique 2.38, 6.23 A)
&rst
ixpk= 2725, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1926,1927,
igr2=1867,1868,
&end
#
# 0 AMB 10-2:2726 0 AMB 10-1:2726 5.50 (# 2726:10 Double Ambig)
&rst
ixpk= 2726, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1842,1843,1842,1843,
igr2=1867,1868,1867,1868,
&end
#
# 114 GLN HB- 114 GLN HE2+ 4.50 (# 2727:10 Unique 1.92, 3.74 A)
&rst
ixpk= 2727, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1859,1860,
igr2=1867,1868,
&end
#
# 114 GLN HB- 114 GLN HE2- 5.50 (# 2728:10 Unique 1.92, 3.74 A)
&rst
ixpk= 2728, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1859,1860,
igr2=1867,1868,
&end
#
# 0 AMB 10-2:2729 114 GLN HE2- 3.50 (# 2729:10 Single Ambig)
&rst
ixpk= 2729, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1859,1860,1975,1976,1862,1863,1862,1863,
igr2=1867,1868,
&end
#
# 0 AMB 10-2:2730 0 AMB 10-1:2730 2.80 (# 2730:10 Double Ambig)
&rst
ixpk= 2730, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 472, 473, 472, 473, 677, 678,
igr2= 477, 478, 477, 478, 733, 734,
&end
#
# 0 AMB 10-2:2731 0 AMB 10-1:2731 5.50 (# 2731:10 Double Ambig)
&rst
ixpk= 2731, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1899, 416,
igr2=1867,1868,1867,1868,
&end
#
# 0 AMB 10-2:2732 114 GLN HE2- 5.50 (# 2732:10 Single Ambig)
&rst
ixpk= 2732, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1899, 416,
igr2=1867,1868,
&end
#
# 114 GLN HA 114 GLN HE2+ 5.50 (# 2733:10 Unique 2.22, 4.26 A)
&rst
ixpk= 2733, nxpk= 10, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1867,1868,
&end
#
# 114 GLN HA 114 GLN HE2- 5.50 (# 2734:10 Unique 2.22, 4.26 A)
&rst
ixpk= 2734, nxpk= 10, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1867,1868,
&end
#
# 122 ASP HA 114 GLN HE2- 5.50 (# 2735:10 Unique 2.09, 4.57 A)
&rst
ixpk= 2735, nxpk= 10, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1867,1868,
&end
#
# 114 GLN HN 114 GLN HE2+ 5.50 (# 2737:10 Unique 1.88, 3.77 A)
&rst
ixpk= 2737, nxpk= 10, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1867,1868,
&end
#
# 114 GLN HN 114 GLN HE2- 5.50 (# 2738:10 Unique 1.88, 3.77 A)
&rst
ixpk= 2738, nxpk= 10, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1867,1868,
&end
#
# 0 AMB 10-2:2739 0 AMB 10-1:2739 5.50 (# 2739:10 Double Ambig)
&rst
ixpk= 2739, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=1146,1147,1146,1147,
&end
#
# 0 AMB 10-2:2740 73 ASN HD2- 5.50 (# 2740:10 Single Ambig)
&rst
ixpk= 2740, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=1146,1147,
&end
#
# 0 AMB 10-2:2741 0 AMB 10-1:2741 5.50 (# 2741:10 Double Ambig)
&rst
ixpk= 2741, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1120,1121,1120,1121,
igr2=1146,1147,1146,1147,
&end
#
# 0 AMB 10-2:2742 0 AMB 10-1:2742 4.50 (# 2742:10 Double Ambig)
&rst
ixpk= 2742, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1117,1118,1117,1118,
igr2=1146,1147,1146,1147,
&end
#
# 72 ARG HG+ 73 ASN HD2- 5.50 (# 2743:10 Unique 2.23, 5.67 A)
&rst
ixpk= 2743, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1120,1121,
igr2=1146,1147,
&end
#
# 0 AMB 10-2:2744 73 ASN HD2- 4.50 (# 2744:10 Single Ambig)
&rst
ixpk= 2744, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1117,1118,1117,1118,
igr2=1146,1147,
&end
#
# 73 ASN HB- 73 ASN HD2+ 3.50 (# 2745:10 Unique 2.13, 3.34 A)
&rst
ixpk= 2745, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1141,1142,
igr2=1146,1147,
&end
#
# 73 ASN HB+ 73 ASN HD2+ 3.50 (# 2746:10 Unique 2.13, 3.34 A)
&rst
ixpk= 2746, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1141,1142,
igr2=1146,1147,
&end
#
# 73 ASN HB- 73 ASN HD2- 3.50 (# 2747:10 Unique 2.13, 3.34 A)
&rst
ixpk= 2747, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1141,1142,
igr2=1146,1147,
&end
#
# 73 ASN HB+ 73 ASN HD2- 4.50 (# 2748:10 Unique 2.13, 3.34 A)
&rst
ixpk= 2748, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1141,1142,
igr2=1146,1147,
&end
#
# 0 AMB 10-2:2749 0 AMB 10-1:2749 5.50 (# 2749:10 Double Ambig)
&rst
ixpk= 2749, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1123,1124,1123,1124,
igr2=1146,1147,1146,1147,
&end
#
# 0 AMB 10-2:2750 73 ASN HD2- 5.50 (# 2750:10 Single Ambig)
&rst
ixpk= 2750, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1123,1124,1123,1124,
igr2=1146,1147,
&end
#
# 72 ARG HA 73 ASN HD2+ 5.50 (# 2751:10 Unique 4.15, 5.39 A)
&rst
ixpk= 2751, nxpk= 10, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1146,1147,
&end
#
# 73 ASN HA 73 ASN HD2+ 4.50 (# 2754:10 Unique 3.80, 4.46 A)
&rst
ixpk= 2754, nxpk= 10, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1146,1147,
&end
#
# 73 ASN HA 73 ASN HD2- 5.50 (# 2755:10 Unique 3.80, 4.46 A)
&rst
ixpk= 2755, nxpk= 10, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1146,1147,
&end
#
# 0 AMB 10-2:2756 0 AMB 10-1:2756 4.50 (# 2756:10 Double Ambig)
&rst
ixpk= 2756, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1137,1151,
igr2=1146,1147,1146,1147,
&end
#
# 0 AMB 10-2:2757 73 ASN HD2- 4.50 (# 2757:10 Single Ambig)
&rst
ixpk= 2757, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1137,1151,
igr2=1146,1147,
&end
#
# 72 ARG HN 73 ASN HD2+ 5.50 (# 2758:10 Unique 4.01, 5.18 A)
&rst
ixpk= 2758, nxpk= 10, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1146,1147,
&end
#
# 20 GLY HN 159 GLN HE2+ 5.50 (# 2759:10 Unique 2.71, 4.52 A)
&rst
ixpk= 2759, nxpk= 10, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2634,2635,
&end
#
# 0 AMB 10-2:2760 0 AMB 10-1:2760 5.50 (# 2760:10 Double Ambig)
&rst
ixpk= 2760, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 258,2639,
igr2=2634,2635,2634,2635,
&end
#
# 0 AMB 10-2:2761 0 AMB 10-1:2761 5.50 (# 2761:10 Double Ambig)
&rst
ixpk= 2761, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1855, 299,
igr2=1833,1834,2634,2635,
&end
#
# 159 GLN HA 159 GLN HE2+ 4.50 (# 2762:10 Unique 2.06, 3.78 A)
&rst
ixpk= 2762, nxpk= 10, iat=2624, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2634,2635,
&end
#
# 0 AMB 10-2:2763 0 AMB 10-1:2763 5.50 (# 2763:10 Double Ambig)
&rst
ixpk= 2763, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2596,2597,2596,2597,
igr2=2634,2635,2634,2635,
&end
#
# 0 AMB 10-2:2764 159 GLN HE2- 5.50 (# 2764:10 Single Ambig)
&rst
ixpk= 2764, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2596,2597,2596,2597,
igr2=2634,2635,
&end
#
# 159 GLN HA 159 GLN HE2- 4.50 (# 2765:10 Unique 2.06, 3.78 A)
&rst
ixpk= 2765, nxpk= 10, iat=2624, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2634,2635,
&end
#
# 19 GLN HA 159 GLN HE2+ 5.50 (# 2766:10 Unique 2.46, 4.22 A)
&rst
ixpk= 2766, nxpk= 10, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2634,2635,
&end
#
# 19 GLN HA 159 GLN HE2- 5.50 (# 2767:10 Unique 2.46, 4.22 A)
&rst
ixpk= 2767, nxpk= 10, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2634,2635,
&end
#
# 20 GLY HA- 159 GLN HE2+ 5.50 (# 2768:10 Unique 3.14, 5.81 A)
&rst
ixpk= 2768, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 301, 302,
igr2=2634,2635,
&end
#
# 20 GLY HA- 159 GLN HE2- 5.50 (# 2769:10 Unique 3.14, 5.81 A)
&rst
ixpk= 2769, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 301, 302,
igr2=2634,2635,
&end
#
# 0 AMB 10-2:2770 0 AMB 10-1:2770 2.80 (# 2770:10 Double Ambig)
&rst
ixpk= 2770, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2629,2630,2629,2630,
igr2=2634,2635,2634,2635,
&end
#
# 0 AMB 10-2:2771 159 GLN HE2- 3.50 (# 2771:10 Single Ambig)
&rst
ixpk= 2771, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2629,2630,2629,2630,
igr2=2634,2635,
&end
#
# 0 AMB 10-2:2772 0 AMB 10-1:2772 4.50 (# 2772:10 Double Ambig)
&rst
ixpk= 2772, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 262, 263,2686,2687,
igr2=2634,2635,2634,2635,
&end
#
# 0 AMB 10-2:2773 159 GLN HE2- 4.50 (# 2773:10 Single Ambig)
&rst
ixpk= 2773, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 262, 263,2686,2687,
igr2=2634,2635,
&end
#
# 159 GLN HB+ 159 GLN HE2- 4.50 (# 2774:10 Unique 1.95, 3.44 A)
&rst
ixpk= 2774, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2626,2627,
igr2=2634,2635,
&end
#
# 159 GLN HB+ 159 GLN HE2+ 4.50 (# 2775:10 Unique 1.95, 3.44 A)
&rst
ixpk= 2775, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2626,2627,
igr2=2634,2635,
&end
#
# 0 AMB 10-2:2776 0 AMB 10-1:2776 3.50 (# 2776:10 Double Ambig)
&rst
ixpk= 2776, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2565,2566,2567,2569,2570,2571,2612,2613,2614,2616,
2617,2618,
igr2=2634,2635,2634,2635,
&end
#
# 0 AMB 10-2:2777 159 GLN HE2- 4.50 (# 2777:10 Single Ambig)
&rst
ixpk= 2777, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2565,2566,2567,2569,2570,2571,2612,2613,2614,2616,
2617,2618,
igr2=2634,2635,
&end
#
# 18 ARG HG- 159 GLN HE2+ 4.50 (# 2778:10 Unique 4.15, 5.66 A)
&rst
ixpk= 2778, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 265, 266,
igr2=2634,2635,
&end
#
# 18 ARG HB- 159 GLN HE2+ 3.50 (# 2779:10 Unique 2.72, 4.38 A)
&rst
ixpk= 2779, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 262, 263,
igr2=2634,2635,
&end
#
# 95 GLN HB+ 97 GLN HE2+ 5.50 (# 2780:10 Unique 2.00, 4.30 A)
&rst
ixpk= 2780, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1542,1543,
igr2=1589,1590,
&end
#
# 0 AMB 10-2:2781 0 AMB 10-1:2781 4.50 (# 2781:10 Double Ambig)
&rst
ixpk= 2781, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1581,1582,1204,1205,
igr2=1589,1590,1589,1590,
&end
#
# 95 GLN HB+ 97 GLN HE2- 4.50 (# 2782:10 Unique 2.00, 4.30 A)
&rst
ixpk= 2782, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1542,1543,
igr2=1589,1590,
&end
#
# 0 AMB 10-2:2783 97 GLN HE2- 4.50 (# 2783:10 Single Ambig)
&rst
ixpk= 2783, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1581,1582,1204,1205,
igr2=1589,1590,
&end
#
# 0 AMB 10-2:2784 0 AMB 10-1:2784 4.50 (# 2784:10 Double Ambig)
&rst
ixpk= 2784, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 418, 419,1926,1927, 793, 794,
igr2= 477, 478,1867,1868, 644, 645,
&end
#
# 30 GLN HB- 30 GLN HE2+ 4.50 (# 2785:10 Unique 1.95, 3.60 A)
&rst
ixpk= 2785, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 469, 470,
igr2= 477, 478,
&end
#
# 27 ARG HB- 30 GLN HE2- 5.50 (# 2786:10 Unique 1.94, 3.56 A)
&rst
ixpk= 2786, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 418, 419,
igr2= 477, 478,
&end
#
# 0 AMB 10-2:2787 30 GLN HE2- 5.50 (# 2787:10 Single Ambig)
&rst
ixpk= 2787, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 418, 419, 469, 470,
igr2= 477, 478,
&end
#
# 0 AMB 10-2:2788 30 GLN HE2- 3.50 (# 2788:10 Single Ambig)
&rst
ixpk= 2788, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 472, 473, 472, 473,
igr2= 477, 478,
&end
#
# 0 AMB 10-2:2789 0 AMB 10-1:2789 2.80 (# 2789:10 Double Ambig)
&rst
ixpk= 2789, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 472, 473, 472, 473,
igr2= 477, 478, 477, 478,
&end
#
# 27 ARG HD- 30 GLN HE2- 5.50 (# 2790:10 Unique 2.03, 5.18 A)
&rst
ixpk= 2790, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 424, 425,
igr2= 477, 478,
&end
#
# 27 ARG HD+ 30 GLN HE2- 5.50 (# 2791:10 Unique 2.03, 5.18 A)
&rst
ixpk= 2791, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 424, 425,
igr2= 477, 478,
&end
#
# 0 AMB 10-2:2793 0 AMB 10-1:2793 5.50 (# 2793:10 Double Ambig)
&rst
ixpk= 2793, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 503, 504, 503, 504, 650, 651,
igr2= 477, 478, 477, 478, 644, 645,
&end
#
# 0 AMB 10-2:2794 30 GLN HE2- 5.50 (# 2794:10 Single Ambig)
&rst
ixpk= 2794, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 503, 504, 503, 504,
igr2= 477, 478,
&end
#
# 0 AMB 10-2:2795 0 AMB 10-1:2795 5.50 (# 2795:10 Double Ambig)
&rst
ixpk= 2795, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 467,1932,
igr2= 477, 478,1867,1868,
&end
#
# 30 GLN HA 30 GLN HE2- 5.50 (# 2796:10 Unique 4.27, 5.44 A)
&rst
ixpk= 2796, nxpk= 10, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 477, 478,
&end
#
# 0 AMB 10-2:2797 0 AMB 10-1:2797 5.50 (# 2797:10 Double Ambig)
&rst
ixpk= 2797, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 465, 786, 765,
igr2= 477, 478, 644, 645, 733, 734,
&end
#
# 0 AMB 10-2:2798 0 AMB 10-1:2798 5.50 (# 2798:10 Double Ambig)
&rst
ixpk= 2798, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 510, 482,
igr2= 477, 478, 477, 478,
&end
#
# 0 AMB 10-2:2799 30 GLN HE2- 5.50 (# 2799:10 Single Ambig)
&rst
ixpk= 2799, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 510, 482,
igr2= 477, 478,
&end
#
# 30 GLN HN 30 GLN HE2- 5.50 (# 2800:10 Unique 4.49, 5.63 A)
&rst
ixpk= 2800, nxpk= 10, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 477, 478,
&end
#
# 0 AMB 10-2:2801 0 AMB 10-1:2801 4.50 (# 2801:10 Double Ambig)
&rst
ixpk= 2801, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2216,2217,2162,2163,
igr2=2221,2222,2221,2222,
&end
#
# 0 AMB 10-2:2802 135 GLN HE2- 4.50 (# 2802:10 Single Ambig)
&rst
ixpk= 2802, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2216,2217,2162,2163,
igr2=2221,2222,
&end
#
# 0 AMB 10-2:2803 0 AMB 10-1:2803 4.50 (# 2803:10 Double Ambig)
&rst
ixpk= 2803, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2066,2159,2160,2189,2190,
igr2=2221,2222,2221,2222,2221,2222,
&end
#
# 135 GLN HG+ 135 GLN HE2- 3.50 (# 2804:10 Unique 2.13, 3.37 A)
&rst
ixpk= 2804, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2216,2217,
igr2=2221,2222,
&end
#
# 134 ARG HB+ 135 GLN HE2+ 5.50 (# 2805:10 Unique 5.55, 6.95 A)
&rst
ixpk= 2805, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2189,2190,
igr2=2221,2222,
&end
#
# 0 AMB 10-2:2806 135 GLN HE2- 5.50 (# 2806:10 Single Ambig)
&rst
ixpk= 2806, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2066,2159,2160,2189,2190,
igr2=2221,2222,
&end
#
# 135 GLN HG+ 135 GLN HE2+ 3.50 (# 2807:10 Unique 2.13, 3.37 A)
&rst
ixpk= 2807, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2216,2217,
igr2=2221,2222,
&end
#
# 0 AMB 10-2:2808 135 GLN HE2- 5.50 (# 2808:10 Single Ambig)
&rst
ixpk= 2808, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2189,2190,2315,2316,
igr2=2221,2222,
&end
#
# 135 GLN HB+ 135 GLN HE2- 5.50 (# 2809:10 Unique 1.95, 3.91 A)
&rst
ixpk= 2809, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2213,2214,
igr2=2221,2222,
&end
#
# 135 GLN HB+ 135 GLN HE2+ 5.50 (# 2810:10 Unique 1.95, 3.91 A)
&rst
ixpk= 2810, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2213,2214,
igr2=2221,2222,
&end
#
# 135 GLN HA 135 GLN HE2+ 5.50 (# 2813:10 Unique 2.27, 3.53 A)
&rst
ixpk= 2813, nxpk= 10, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2221,2222,
&end
#
# 135 GLN HA 135 GLN HE2- 4.50 (# 2814:10 Unique 2.27, 3.53 A)
&rst
ixpk= 2814, nxpk= 10, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2221,2222,
&end
#
# 0 AMB 10-2:2815 0 AMB 10-1:2815 5.50 (# 2815:10 Double Ambig)
&rst
ixpk= 2815, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 369,2209,
igr2=2221,2222,2221,2222,
&end
#
# 128 SER HA 21 GLN HE2- 5.50 (# 2819:10 Unique 1.91, 4.23 A)
&rst
ixpk= 2819, nxpk= 10, iat=2080, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 318, 319,
&end
#
# 0 AMB 10-2:2820 21 GLN HE2- 5.50 (# 2820:10 Single Ambig)
&rst
ixpk= 2820, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 248, 249,2042,2043,2042,2043,
igr2= 318, 319,
&end
#
# 0 AMB 10-2:2821 0 AMB 10-1:2821 5.50 (# 2821:10 Double Ambig)
&rst
ixpk= 2821, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 843, 844,2114,2115, 360, 361,
igr2= 889, 318, 319, 318, 319,
&end
#
# 19 GLN HG+ 21 GLN HE2- 5.50 (# 2822:10 Unique 1.95, 5.67 A)
&rst
ixpk= 2822, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 289, 290,
igr2= 318, 319,
&end
#
# 21 GLN HB- 21 GLN HE2- 5.50 (# 2823:10 Unique 2.93, 4.54 A)
&rst
ixpk= 2823, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 310, 311,
igr2= 318, 319,
&end
#
# 21 GLN HB- 21 GLN HE2+ 5.50 (# 2824:10 Unique 2.93, 4.54 A)
&rst
ixpk= 2824, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 310, 311,
igr2= 318, 319,
&end
#
# 159 GLN HB- 21 GLN HE2+ 4.50 (# 2825:10 Unique 3.33, 6.92 A)
&rst
ixpk= 2825, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2626,2627,
igr2= 318, 319,
&end
#
# 159 GLN HB- 21 GLN HE2- 4.50 (# 2826:10 Unique 3.33, 6.92 A)
&rst
ixpk= 2826, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2626,2627,
igr2= 318, 319,
&end
#
# 115 THR MG2 112 ASN HD2+ 5.50 (# 2842:10 Unique 2.07, 5.29 A)
&rst
ixpk= 2842, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1878,1879,1880,
igr2=1833,1834,
&end
#
# 115 THR MG2 112 ASN HD2- 4.50 (# 2843:10 Unique 2.07, 5.29 A)
&rst
ixpk= 2843, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1878,1879,1880,
igr2=1833,1834,
&end
#
# 112 ASN HB- 112 ASN HD2+ 3.50 (# 2844:10 Unique 2.11, 3.16 A)
&rst
ixpk= 2844, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1828,1829,
igr2=1833,1834,
&end
#
# 112 ASN HB- 112 ASN HD2- 3.50 (# 2845:10 Unique 2.11, 3.16 A)
&rst
ixpk= 2845, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1828,1829,
igr2=1833,1834,
&end
#
# 115 THR HB 112 ASN HD2+ 5.50 (# 2846:10 Unique 2.52, 4.50 A)
&rst
ixpk= 2846, nxpk= 10, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1833,1834,
&end
#
# 115 THR HB 112 ASN HD2- 5.50 (# 2847:10 Unique 2.52, 4.50 A)
&rst
ixpk= 2847, nxpk= 10, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1833,1834,
&end
#
# 114 GLN HN 112 ASN HD2+ 5.50 (# 2848:10 Unique 1.93, 5.15 A)
&rst
ixpk= 2848, nxpk= 10, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1833,1834,
&end
#
# 114 GLN HN 112 ASN HD2- 5.50 (# 2849:10 Unique 1.93, 5.15 A)
&rst
ixpk= 2849, nxpk= 10, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1833,1834,
&end
#
# 0 AMB 10-2:2852 82 ARG HE 5.50 (# 2852:10 Single Ambig)
&rst
ixpk= 2852, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1349,1350,1351,1353,1354,1355,1349,1350,1351,1353,
1354,1355,
&end
#
# 62 ARG HG- 62 ARG HE 4.50 (# 2853:10 Unique 2.43, 3.40 A)
&rst
ixpk= 2853, nxpk= 10, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 949, 950,
&end
#
# 62 ARG HG+ 62 ARG HE 4.50 (# 2854:10 Unique 2.43, 3.40 A)
&rst
ixpk= 2854, nxpk= 10, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 949, 950,
&end
#
# 62 ARG HB+ 62 ARG HE 5.50 (# 2855:10 Unique 3.22, 4.08 A)
&rst
ixpk= 2855, nxpk= 10, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 946, 947,
&end
#
# 82 ARG HG+ 82 ARG HE 4.50 (# 2856:10 Unique 2.09, 3.13 A)
&rst
ixpk= 2856, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1323,1324,
&end
#
# 0 AMB 10-2:2857 82 ARG HE 5.50 (# 2857:10 Single Ambig)
&rst
ixpk= 2857, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1320,1321,1284,1285,
&end
#
# 82 ARG HB+ 82 ARG HE 5.50 (# 2858:10 Unique 1.88, 2.80 A)
&rst
ixpk= 2858, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1320,1321,
&end
#
# 0 AMB 10-2:2859 62 ARG HE 2.80 (# 2859:10 Single Ambig)
&rst
ixpk= 2859, nxpk= 10, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 952, 953, 952, 953,
&end
#
# 0 AMB 10-2:2860 82 ARG HE 3.50 (# 2860:10 Single Ambig)
&rst
ixpk= 2860, nxpk= 10, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1326,1327,1326,1327,
&end
#
# 62 ARG HA 62 ARG HE 5.50 (# 2861:10 Unique 5.24, 5.43 A)
&rst
ixpk= 2861, nxpk= 10, iat= 944, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ARG HN 62 ARG HE 5.50 (# 2864:10 Unique 2.94, 3.69 A)
&rst
ixpk= 2864, nxpk= 10, iat= 942, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLN HA 103 GLN HE2+ 5.50 (# 2867:10 Unique 1.99, 3.13 A)
&rst
ixpk= 2867, nxpk= 10, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1710,1711,
&end
#
# 103 GLN HA 103 GLN HE2- 5.50 (# 2868:10 Unique 1.99, 3.13 A)
&rst
ixpk= 2868, nxpk= 10, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1710,1711,
&end
#
# 41 ASN HN 41 ASN HD2+ 5.50 (# 2869:10 Unique 2.67, 4.53 A)
&rst
ixpk= 2869, nxpk= 10, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 644, 645,
&end
#
# 41 ASN HN 41 ASN HD2- 5.50 (# 2870:10 Unique 2.67, 4.53 A)
&rst
ixpk= 2870, nxpk= 10, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 644, 645,
&end
#
# 52 ARG HE 41 ASN HD2+ 5.50 (# 2871:10 Unique 4.33, 5.33 A)
&rst
ixpk= 2871, nxpk= 10, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 644, 645,
&end
#
# 52 ARG HE 41 ASN HD2- 5.50 (# 2872:10 Unique 4.33, 5.33 A)
&rst
ixpk= 2872, nxpk= 10, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 644, 645,
&end
#
# 41 ASN HA 41 ASN HD2+ 5.50 (# 2873:10 Unique 1.95, 3.67 A)
&rst
ixpk= 2873, nxpk= 10, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 644, 645,
&end
#
# 41 ASN HA 41 ASN HD2- 5.50 (# 2874:10 Unique 1.95, 3.67 A)
&rst
ixpk= 2874, nxpk= 10, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 644, 645,
&end
#
# 42 PRO HD+ 41 ASN HD2- 5.50 (# 2875:10 Unique 1.94, 4.27 A)
&rst
ixpk= 2875, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 644, 645,
&end
#
# 0 AMB 10-2:2876 0 AMB 10-1:2876 5.50 (# 2876:10 Double Ambig)
&rst
ixpk= 2876, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 503, 504, 650, 651,
igr2= 477, 478, 644, 645,
&end
#
# 42 PRO HD- 41 ASN HD2- 5.50 (# 2877:10 Unique 1.94, 4.27 A)
&rst
ixpk= 2877, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 644, 645,
&end
#
# 42 PRO HD- 41 ASN HD2+ 5.50 (# 2878:10 Unique 1.94, 4.27 A)
&rst
ixpk= 2878, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 650, 651,
igr2= 644, 645,
&end
#
# 52 ARG HD+ 41 ASN HD2- 5.50 (# 2879:10 Unique 2.45, 4.56 A)
&rst
ixpk= 2879, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 796, 797,
igr2= 644, 645,
&end
#
# 41 ASN HB+ 41 ASN HD2- 4.50 (# 2880:10 Unique 2.12, 3.27 A)
&rst
ixpk= 2880, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 639, 640,
igr2= 644, 645,
&end
#
# 41 ASN HB- 41 ASN HD2- 4.50 (# 2881:10 Unique 2.12, 3.27 A)
&rst
ixpk= 2881, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 639, 640,
igr2= 644, 645,
&end
#
# 0 AMB 10-2:2882 0 AMB 10-1:2882 3.50 (# 2882:10 Double Ambig)
&rst
ixpk= 2882, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 639, 640, 728, 729, 728, 729,
igr2= 644, 645, 733, 734, 733, 734,
&end
#
# 41 ASN HB+ 41 ASN HD2+ 4.50 (# 2883:10 Unique 2.12, 3.27 A)
&rst
ixpk= 2883, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 639, 640,
igr2= 644, 645,
&end
#
# 0 AMB 10-2:2884 41 ASN HD2- 5.50 (# 2884:10 Single Ambig)
&rst
ixpk= 2884, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 674, 675, 674, 675, 653, 654,
igr2= 644, 645,
&end
#
# 52 ARG HG- 41 ASN HD2- 5.50 (# 2885:10 Unique 2.48, 4.75 A)
&rst
ixpk= 2885, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 793, 794,
igr2= 644, 645,
&end
#
# 82 ARG HN 82 ARG HE 5.50 (# 2887:10 Unique 2.28, 3.97 A)
&rst
ixpk= 2887, nxpk= 10, iat=1316,1329, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 PRO HA 82 ARG HE 5.50 (# 2888:10 Unique 4.46, 5.06 A)
&rst
ixpk= 2888, nxpk= 10, iat=1290,1329, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ARG HN 72 ARG HE 5.50 (# 2889:10 Unique 3.70, 4.08 A)
&rst
ixpk= 2889, nxpk= 10, iat=1113,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ARG HA 72 ARG HE 5.50 (# 2891:10 Unique 4.89, 5.34 A)
&rst
ixpk= 2891, nxpk= 10, iat=1115,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2892 72 ARG HE 2.80 (# 2892:10 Single Ambig)
&rst
ixpk= 2892, nxpk= 10, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1123,1124,1123,1124,
&end
#
# 0 AMB 10-2:2893 72 ARG HE 5.50 (# 2893:10 Single Ambig)
&rst
ixpk= 2893, nxpk= 10, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1117,1118,1117,1118,
&end
#
# 149 LYS HD- 72 ARG HE 5.50 (# 2894:10 Unique 5.16, 6.13 A)
&rst
ixpk= 2894, nxpk= 10, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2475,2476,
&end
#
# 72 ARG HG+ 72 ARG HE 5.50 (# 2895:10 Unique 2.15, 3.38 A)
&rst
ixpk= 2895, nxpk= 10, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1120,1121,
&end
#
# 134 ARG HA 134 ARG HE 5.50 (# 2898:10 Unique 1.94, 2.40 A)
&rst
ixpk= 2898, nxpk= 10, iat=2187,2198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 ARG HD+ 134 ARG HE 3.50 (# 2900:10 Unique 1.91, 3.13 A)
&rst
ixpk= 2900, nxpk= 10, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2321,2322,
&end
#
# 0 AMB 10-2:2901 134 ARG HE 4.50 (# 2901:10 Single Ambig)
&rst
ixpk= 2901, nxpk= 10, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2321,2322,2195,2196,2195,2196,
&end
#
# 0 AMB 10-2:2902 134 ARG HE 3.50 (# 2902:10 Single Ambig)
&rst
ixpk= 2902, nxpk= 10, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2318,2319,2315,2316,
&end
#
# 0 AMB 10-2:2903 134 ARG HE 3.50 (# 2903:10 Single Ambig)
&rst
ixpk= 2903, nxpk= 10, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2318,2319,2315,2316,2189,2190,
&end
#
# 0 AMB 10-2:2904 134 ARG HE 4.50 (# 2904:10 Single Ambig)
&rst
ixpk= 2904, nxpk= 10, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2318,2319,2192,2193,
&end
#
# 141 ARG HG- 134 ARG HE 5.50 (# 2905:10 Unique 1.87, 3.27 A)
&rst
ixpk= 2905, nxpk= 10, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2318,2319,
&end
#
# 136 VAL MGX 134 ARG HE 5.50 (# 2906:10 Unique 5.02, 7.71 A)
&rst
ixpk= 2906, nxpk= 10, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 68 LEU HA 66 ARG HE 5.50 (# 2910:10 Unique 2.76, 3.31 A)
&rst
ixpk= 2910, nxpk= 10, iat=1061,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2911 66 ARG HE 2.80 (# 2911:10 Single Ambig)
&rst
ixpk= 2911, nxpk= 10, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1026,1027,1026,1027,
&end
#
# 67 ILE HB 66 ARG HE 5.50 (# 2912:10 Unique 2.88, 3.49 A)
&rst
ixpk= 2912, nxpk= 10, iat=1044,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ARG HB+ 66 ARG HE 4.50 (# 2914:10 Unique 3.98, 4.35 A)
&rst
ixpk= 2914, nxpk= 10, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1020,1021,
&end
#
# 66 ARG HG- 66 ARG HE 4.50 (# 2915:10 Unique 2.09, 2.75 A)
&rst
ixpk= 2915, nxpk= 10, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1023,1024,
&end
#
# 66 ARG HG+ 66 ARG HE 3.50 (# 2916:10 Unique 2.09, 2.75 A)
&rst
ixpk= 2916, nxpk= 10, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1023,1024,
&end
#
# 0 AMB 10-2:2917 66 ARG HE 4.50 (# 2917:10 Single Ambig)
&rst
ixpk= 2917, nxpk= 10, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1053,1054,1055,1688,1689,1690,1692,1693,1694,
&end
#
# 68 LEU MDY 66 ARG HE 3.50 (# 2918:10 Unique 2.14, 5.11 A)
&rst
ixpk= 2918, nxpk= 10, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1068,1069,1070,1072,1073,1074,
&end
#
# 47 GLU HB+ 48 GLN HE2- 5.50 (# 2919:10 Unique 2.18, 4.89 A)
&rst
ixpk= 2919, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 710, 711,
igr2= 733, 734,
&end
#
# 0 AMB 10-2:2920 0 AMB 10-1:2920 2.80 (# 2920:10 Double Ambig)
&rst
ixpk= 2920, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1975,1976,1862,1863,1862,1863,
igr2=1867,1868,1867,1868,1867,1868,
&end
#
# 0 AMB 10-2:2921 0 AMB 10-1:2921 2.80 (# 2921:10 Double Ambig)
&rst
ixpk= 2921, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 728, 729, 728, 729,
igr2= 733, 734, 733, 734,
&end
#
# 0 AMB 10-2:2922 48 GLN HE2- 2.80 (# 2922:10 Single Ambig)
&rst
ixpk= 2922, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 728, 729, 728, 729,
igr2= 733, 734,
&end
#
# 45 SER HB- 48 GLN HE2+ 5.50 (# 2923:10 Unique 1.92, 2.44 A)
&rst
ixpk= 2923, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 689, 690,
igr2= 733, 734,
&end
#
# 45 SER HB- 48 GLN HE2- 5.50 (# 2924:10 Unique 1.92, 2.44 A)
&rst
ixpk= 2924, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 689, 690,
igr2= 733, 734,
&end
#
# 0 AMB 10-2:2925 0 AMB 10-1:2925 5.50 (# 2925:10 Double Ambig)
&rst
ixpk= 2925, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 467,1932,
igr2= 477, 478,1867,1868,
&end
#
# 0 AMB 10-2:2926 0 AMB 10-1:2926 5.50 (# 2926:10 Double Ambig)
&rst
ixpk= 2926, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 672, 536,
igr2= 733, 734, 477, 478,
&end
#
# 45 SER HA 48 GLN HE2- 5.50 (# 2927:10 Unique 3.96, 4.34 A)
&rst
ixpk= 2927, nxpk= 10, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 733, 734,
&end
#
# 48 GLN HN 48 GLN HE2- 5.50 (# 2928:10 Unique 2.28, 3.13 A)
&rst
ixpk= 2928, nxpk= 10, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 733, 734,
&end
#
# 45 SER HN 48 GLN HE2+ 5.50 (# 2929:10 Unique 1.87, 3.13 A)
&rst
ixpk= 2929, nxpk= 10, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 733, 734,
&end
#
# 45 SER HN 48 GLN HE2- 5.50 (# 2930:10 Unique 1.87, 3.13 A)
&rst
ixpk= 2930, nxpk= 10, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 733, 734,
&end
#
# 11 VAL MGY 10 ASN HD2+ 5.50 (# 2931:10 Unique 6.20, 8.18 A)
&rst
ixpk= 2931, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:2932 0 AMB 10-1:2932 5.50 (# 2932:10 Double Ambig)
&rst
ixpk= 2932, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.77, r4=12.27,
igr1=1565,1566, 162, 163, 164, 166, 167, 168,1601,1602,
2296,2297,
igr2= 151, 152, 151, 152, 151, 152, 151, 152,
&end
#
# 0 AMB 10-2:2933 10 ASN HD2- 5.50 (# 2933:10 Single Ambig)
&rst
ixpk= 2933, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 629, 630, 631, 162, 163, 164, 166, 167, 168,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:2934 10 ASN HD2- 5.50 (# 2934:10 Single Ambig)
&rst
ixpk= 2934, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1565,1566, 162, 163, 164, 166, 167, 168,1601,1602,
2296,2297,
igr2= 151, 152,
&end
#
# 88 THR MG2 85 ARG HE 4.50 (# 2935:10 Unique 1.94, 4.54 A)
&rst
ixpk= 2935, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1441,1442,1443,
&end
#
# 85 ARG HG- 85 ARG HE 4.50 (# 2936:10 Unique 2.12, 3.31 A)
&rst
ixpk= 2936, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1382,1383,
&end
#
# 85 ARG HG+ 85 ARG HE 3.50 (# 2937:10 Unique 2.12, 3.31 A)
&rst
ixpk= 2937, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1382,1383,
&end
#
# 85 ARG HB- 85 ARG HE 3.50 (# 2938:10 Unique 2.24, 3.74 A)
&rst
ixpk= 2938, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1379,1380,
&end
#
# 85 ARG HB+ 85 ARG HE 4.50 (# 2939:10 Unique 2.24, 3.74 A)
&rst
ixpk= 2939, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1379,1380,
&end
#
# 0 AMB 10-2:2941 85 ARG HE 2.80 (# 2941:10 Single Ambig)
&rst
ixpk= 2941, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1385,1386,1385,1386,
&end
#
# 85 ARG HA 85 ARG HE 4.50 (# 2942:10 Unique 4.21, 4.84 A)
&rst
ixpk= 2942, nxpk= 10, iat=1377,1388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 ARG HN 85 ARG HE 5.50 (# 2945:10 Unique 1.89, 3.01 A)
&rst
ixpk= 2945, nxpk= 10, iat=1375,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 ASP HN 85 ARG HE 5.50 (# 2946:10 Unique 3.96, 5.27 A)
&rst
ixpk= 2946, nxpk= 10, iat=1423,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2958 146 ARG HE 4.50 (# 2958:10 Single Ambig)
&rst
ixpk= 2958, nxpk= 10, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 10-2:2959 146 ARG HE 5.50 (# 2959:10 Single Ambig)
&rst
ixpk= 2959, nxpk= 10, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
&end
#
# 146 ARG HG- 146 ARG HE 4.50 (# 2960:10 Unique 2.17, 3.01 A)
&rst
ixpk= 2960, nxpk= 10, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2415,2416,
&end
#
# 0 AMB 10-2:2961 146 ARG HE 3.50 (# 2961:10 Single Ambig)
&rst
ixpk= 2961, nxpk= 10, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2412,2413,2412,2413,2415,2416,
&end
#
# 0 AMB 10-2:2962 146 ARG HE 2.80 (# 2962:10 Single Ambig)
&rst
ixpk= 2962, nxpk= 10, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2418,2419,2418,2419,
&end
#
# 143 VAL HA 146 ARG HE 5.50 (# 2963:10 Unique 1.91, 3.00 A)
&rst
ixpk= 2963, nxpk= 10, iat=2349,2421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ARG HA 146 ARG HE 5.50 (# 2964:10 Unique 3.83, 4.67 A)
&rst
ixpk= 2964, nxpk= 10, iat=2410,2421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 ASP HA 146 ARG HE 5.50 (# 2965:10 Unique 3.42, 4.46 A)
&rst
ixpk= 2965, nxpk= 10, iat=2337,2421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 VAL MGY 125 ARG HE 5.50 (# 2967:10 Unique 2.74, 5.52 A)
&rst
ixpk= 2967, nxpk= 10, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2068,2069,2070,2072,2073,2074,
&end
#
# 125 ARG HG- 125 ARG HE 5.50 (# 2968:10 Unique 2.10, 2.92 A)
&rst
ixpk= 2968, nxpk= 10, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2021,2022,
&end
#
# 127 VAL HB 125 ARG HE 5.50 (# 2970:10 Unique 4.22, 5.39 A)
&rst
ixpk= 2970, nxpk= 10, iat=2066,2027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 VAL MGX 145 ARG HE 5.50 (# 2975:10 Unique 1.97, 5.72 A)
&rst
ixpk= 2975, nxpk= 10, iat= -1,2397, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2175,2176,2177,2179,2180,2181,
&end
#
# 145 ARG HG- 145 ARG HE 5.50 (# 2976:10 Unique 2.09, 3.15 A)
&rst
ixpk= 2976, nxpk= 10, iat= -1,2397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2391,2392,
&end
#
# 145 ARG HG+ 145 ARG HE 5.50 (# 2977:10 Unique 2.09, 3.15 A)
&rst
ixpk= 2977, nxpk= 10, iat= -1,2397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2391,2392,
&end
#
# 0 AMB 10-2:2978 145 ARG HE 5.50 (# 2978:10 Single Ambig)
&rst
ixpk= 2978, nxpk= 10, iat= -1,2397, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2388,2389,2388,2389,
&end
#
# 0 AMB 10-2:2979 145 ARG HE 4.50 (# 2979:10 Single Ambig)
&rst
ixpk= 2979, nxpk= 10, iat= -1,2397, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2394,2395,2394,2395,
&end
#
# 142 ASP HA 145 ARG HE 5.50 (# 2980:10 Unique 3.73, 4.99 A)
&rst
ixpk= 2980, nxpk= 10, iat=2337,2397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG HG- 26 ARG HE 5.50 (# 2983:10 Unique 2.15, 3.09 A)
&rst
ixpk= 2983, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 26 ARG HG+ 26 ARG HE 5.50 (# 2984:10 Unique 2.15, 3.09 A)
&rst
ixpk= 2984, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 0 AMB 10-2:2985 26 ARG HE 5.50 (# 2985:10 Single Ambig)
&rst
ixpk= 2985, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 394, 395, 394, 395,
&end
#
# 0 AMB 10-2:2993 97 GLN HE2- 5.50 (# 2993:10 Single Ambig)
&rst
ixpk= 2993, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
2358,2359,
igr2=1589,1590,
&end
#
# 95 GLN HB- 97 GLN HE2- 5.50 (# 2994:10 Unique 2.00, 4.30 A)
&rst
ixpk= 2994, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1542,1543,
igr2=1589,1590,
&end
#
# 0 AMB 10-2:2997 97 GLN HE2- 5.50 (# 2997:10 Single Ambig)
&rst
ixpk= 2997, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1196,1540,
igr2=1589,1590,
&end
#
# 77 TYR HE 97 GLN HE2- 5.50 (# 2998:10 Unique 1.91, 4.87 A)
&rst
ixpk= 2998, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1228,1233,
igr2=1589,1590,
&end
#
# 77 TYR HD 97 GLN HE2- 5.50 (# 2999:10 Unique 3.19, 5.82 A)
&rst
ixpk= 2999, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1226,1235,
igr2=1589,1590,
&end
#
# 99 TRP HZ2 97 GLN HE2- 5.50 (# 3000:10 Unique 1.90, 4.73 A)
&rst
ixpk= 3000, nxpk= 10, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1589,1590,
&end
#
# 92 CYS HB+ 95 GLN HE2- 5.50 (# 3002:10 Unique 3.48, 5.44 A)
&rst
ixpk= 3002, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1505,1506,
igr2=1550,1551,
&end
#
# 8 ARG HD- 95 GLN HE2- 5.50 (# 3003:10 Unique 2.00, 4.21 A)
&rst
ixpk= 3003, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 114, 115,
igr2=1550,1551,
&end
#
# 85 ARG HE 95 GLN HE2- 5.50 (# 3005:10 Unique 5.22, 6.25 A)
&rst
ixpk= 3005, nxpk= 10, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1550,1551,
&end
#
# 18 ARG HN 17 ASN HD2+ 5.50 (# 3007:10 Unique 4.08, 5.28 A)
&rst
ixpk= 3007, nxpk= 10, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 253, 254,
&end
#
# 17 ASN HA 17 ASN HD2+ 5.50 (# 3008:10 Unique 2.29, 3.87 A)
&rst
ixpk= 3008, nxpk= 10, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 253, 254,
&end
#
# 0 AMB 10-2:3010 0 AMB 10-1:3010 5.50 (# 3010:10 Double Ambig)
&rst
ixpk= 3010, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 248, 249,2042,2043,2042,2043,
igr2= 253, 254, 253, 254, 253, 254,
&end
#
# 21 GLN HB+ 17 ASN HD2+ 5.50 (# 3011:10 Unique 1.91, 5.51 A)
&rst
ixpk= 3011, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 310, 311,
igr2= 253, 254,
&end
#
# 0 AMB 10-2:3012 0 AMB 10-1:3012 5.50 (# 3012:10 Double Ambig)
&rst
ixpk= 3012, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 343, 344, 343, 344,1719,1720,
igr2= 253, 254, 253, 254, 253, 254,
&end
#
# 0 AMB 10-2:3014 0 AMB 10-1:3014 5.50 (# 3014:10 Double Ambig)
&rst
ixpk= 3014, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1722, 286, 287,
igr2= 253, 254, 253, 254,
&end
#
# 9 PRO HG+ 3 ASP HN 5.50 (# 3015:10 Unique 4.26, 5.82 A)
&rst
ixpk= 3015, nxpk= 10, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 132, 133,
&end
#
# 0 AMB 10-2:3016 7 TYR HN 5.50 (# 3016:10 Single Ambig)
&rst
ixpk= 3016, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1525,1526,1527,1522,1523,1565,1566,
&end
#
# 2 ILE QG2 7 TYR HN 4.50 (# 3017:10 Unique 2.24, 3.29 A)
&rst
ixpk= 3017, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 27, 28, 29,
&end
#
# 7 TYR HB+ 7 TYR HN 4.50 (# 3018:10 Unique 2.24, 3.06 A)
&rst
ixpk= 3018, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 87, 88,
&end
#
# 6 GLY HA- 7 TYR HN 5.50 (# 3019:10 Unique 2.63, 3.19 A)
&rst
ixpk= 3019, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 78, 79,
&end
#
# 6 GLY HA+ 7 TYR HN 5.50 (# 3020:10 Unique 2.63, 3.19 A)
&rst
ixpk= 3020, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 78, 79,
&end
#
# 7 TYR HA 7 TYR HN 4.50 (# 3021:10 Unique 2.90, 2.94 A)
&rst
ixpk= 3021, nxpk= 10, iat= 85, 83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TYR HE 7 TYR HN 5.50 (# 3023:10 Unique 5.21, 5.82 A)
&rst
ixpk= 3023, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 93, 98,
&end
#
# 112 ASN HD2- 114 GLN HN 3.50 (# 3024:10 Unique 1.93, 5.15 A)
&rst
ixpk= 3024, nxpk= 10, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1833,1834,
&end
#
# 93 ILE HN 7 TYR HN 5.50 (# 3025:10 Unique 4.42, 4.90 A)
&rst
ixpk= 3025, nxpk= 10, iat=1512, 83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 SER HB- 46 ALA HN 4.50 (# 3026:10 Unique 2.12, 3.22 A)
&rst
ixpk= 3026, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 689, 690,
&end
#
# 0 AMB 10-2:3027 51 TYR HN 5.50 (# 3027:10 Single Ambig)
&rst
ixpk= 3027, nxpk= 10, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 949, 950,1053,1054,1055,1006,1007,1008,1010,1011,
1012,
&end
#
# 58 VAL HA 57 GLU HN 5.50 (# 3028:10 Unique 4.73, 4.83 A)
&rst
ixpk= 3028, nxpk= 10, iat= 891, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:3029 65 VAL HN 2.80 (# 3029:10 Single Ambig)
&rst
ixpk= 3029, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1006,1007,1008,1010,1011,1012,1740,1741,1742,1744,
1745,1746,
&end
#
# 66 ARG HG+ 67 ILE HN 4.50 (# 3030:10 Unique 2.92, 3.99 A)
&rst
ixpk= 3030, nxpk= 10, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1023,1024,
&end
#
# 0 AMB 10-2:3031 67 ILE HN 2.80 (# 3031:10 Single Ambig)
&rst
ixpk= 3031, nxpk= 10, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1053,1054,1055,1688,1689,1690,1692,1693,1694,
&end
#
# 0 AMB 10-2:3033 70 SER HN 5.50 (# 3033:10 Single Ambig)
&rst
ixpk= 3033, nxpk= 10, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2491,2492,1120,1121,
&end
#
# 96 LYS HA 76 ARG HN 5.50 (# 3037:10 Unique 4.88, 5.06 A)
&rst
ixpk= 3037, nxpk= 10, iat=1557,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:3038 82 ARG HN 4.50 (# 3038:10 Single Ambig)
&rst
ixpk= 3038, nxpk= 10, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1290,1342,
&end
#
# 83 LEU HG 84 VAL HN 5.50 (# 3039:10 Unique 2.36, 4.09 A)
&rst
ixpk= 3039, nxpk= 10, iat=1347,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 LYS HG- 89 LYS HN 4.50 (# 3040:10 Unique 2.65, 3.32 A)
&rst
ixpk= 3040, nxpk= 10, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1456,1457,
&end
#
# 96 LYS HN 97 GLN HN 5.50 (# 3041:10 Unique 3.93, 4.25 A)
&rst
ixpk= 3041, nxpk= 10, iat=1555,1577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:3042 97 GLN HN 5.50 (# 3042:10 Single Ambig)
&rst
ixpk= 3042, nxpk= 10, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1538,1151,1137,
&end
#
# 101 LEU MDY 102 LEU HN 4.50 (# 3043:10 Unique 1.94, 4.57 A)
&rst
ixpk= 3043, nxpk= 10, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1669,1670,1671,1673,1674,1675,
&end
#
# 117 SER HA 116 SER HN 5.50 (# 3045:10 Unique 4.37, 4.64 A)
&rst
ixpk= 3045, nxpk= 10, iat=1899,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:3046 118 THR HN 4.50 (# 3046:10 Single Ambig)
&rst
ixpk= 3046, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1888,1857,
&end
#
# 122 ASP HB+ 122 ASP HN 5.50 (# 3047:10 Unique 2.25, 2.98 A)
&rst
ixpk= 3047, nxpk= 10, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1976,
&end
#
# 21 GLN HB- 127 VAL HN 5.50 (# 3048:10 Unique 1.95, 3.58 A)
&rst
ixpk= 3048, nxpk= 10, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 310, 311,
&end
#
# 0 AMB 10-2:3049 133 VAL HN 5.50 (# 3049:10 Single Ambig)
&rst
ixpk= 3049, nxpk= 10, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2315,2316,2391,2392,2318,2319,
&end
#
# 135 GLN HE2- 135 GLN HN 5.50 (# 3050:10 Unique 3.90, 5.59 A)
&rst
ixpk= 3050, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2221,2222,
&end
#
# 131 TYR HE 135 GLN HN 5.50 (# 3051:10 Unique 5.59, 6.88 A)
&rst
ixpk= 3051, nxpk= 10, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2144,2149,
&end
#
# 136 VAL MGX 136 VAL HN 2.80 (# 3052:10 Unique 1.77, 3.39 A)
&rst
ixpk= 3052, nxpk= 10, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2232,2233,2234,2236,2237,2238,
&end
#
# 140 LYS HG- 140 LYS HN 4.50 (# 3053:10 Unique 3.41, 4.45 A)
&rst
ixpk= 3053, nxpk= 10, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2296,2297,
&end
#
# 137 VAL HN 138 SER HN 5.50 (# 3054:10 Unique 4.30, 4.51 A)
&rst
ixpk= 3054, nxpk= 10, iat=2242,2258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 PHE HD 138 SER HN 5.50 (# 3055:10 Unique 3.59, 5.90 A)
&rst
ixpk= 3055, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2277,2285,
&end
#
# 138 SER HB- 138 SER HN 3.50 (# 3057:10 Unique 2.09, 3.02 A)
&rst
ixpk= 3057, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2262,2263,
&end
#
# 137 VAL HA 138 SER HN 2.80 (# 3058:10 Unique 2.17, 2.42 A)
&rst
ixpk= 3058, nxpk= 10, iat=2244,2258, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 138 SER HA 138 SER HN 4.50 (# 3059:10 Unique 2.74, 2.85 A)
&rst
ixpk= 3059, nxpk= 10, iat=2260,2258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 PHE HB+ 138 SER HN 5.50 (# 3060:10 Unique 4.06, 5.35 A)
&rst
ixpk= 3060, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2273,2274,
&end
#
# 0 AMB 10-2:3061 138 SER HN 5.50 (# 3061:10 Single Ambig)
&rst
ixpk= 3061, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2321,2322,2273,2274,
&end
#
# 137 VAL HB 138 SER HN 4.50 (# 3062:10 Unique 2.40, 3.22 A)
&rst
ixpk= 3062, nxpk= 10, iat=2246,2258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 VAL MGY 138 SER HN 3.50 (# 3063:10 Unique 1.93, 3.77 A)
&rst
ixpk= 3063, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 10-2:3064 142 ASP HN 5.50 (# 3064:10 Single Ambig)
&rst
ixpk= 3064, nxpk= 10, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=2232,2233,2234,2236,2237,2238,2296,2297,2248,2249,
2250,2252,2253,2254,
&end
#
# 137 VAL MGX 138 SER HN 4.50 (# 3066:10 Unique 1.93, 3.77 A)
&rst
ixpk= 3066, nxpk= 10, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2248,2249,2250,2252,2253,2254,
&end
#
# 0 AMB 10-2:3067 147 VAL HN 4.50 (# 3067:10 Single Ambig)
&rst
ixpk= 3067, nxpk= 10, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2388,2389,2388,2389,1179,1180,
&end
#
# 0 AMB 10-2:3068 149 LYS HN 5.50 (# 3068:10 Single Ambig)
&rst
ixpk= 3068, nxpk= 10, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2522,2123,
&end
#
# 61 SER HN 62 ARG HN 5.50 (# 3069:10 Unique 4.28, 4.43 A)
&rst
ixpk= 3069, nxpk= 10, iat= 931, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLU HN 109 ALA HN 4.50 (# 3070:10 Unique 2.28, 2.63 A)
&rst
ixpk= 3070, nxpk= 10, iat=1790,1780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 LYS HN 62 ARG HN 4.50 (# 3071:10 Unique 2.58, 2.67 A)
&rst
ixpk= 3071, nxpk= 10, iat= 966, 942, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 TYR HD 62 ARG HN 5.50 (# 3072:10 Unique 2.41, 4.07 A)
&rst
ixpk= 3072, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 773, 782,
&end
#
# 51 TYR HE 62 ARG HN 5.50 (# 3075:10 Unique 3.84, 5.33 A)
&rst
ixpk= 3075, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 775, 780,
&end
#
# 61 SER HA 62 ARG HN 3.50 (# 3076:10 Unique 2.45, 2.69 A)
&rst
ixpk= 3076, nxpk= 10, iat= 933, 942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 SER HB+ 62 ARG HN 2.80 (# 3079:10 Unique 2.00, 2.99 A)
&rst
ixpk= 3079, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 935, 936,
&end
#
# 62 ARG HA 62 ARG HN 3.50 (# 3080:10 Unique 2.78, 2.82 A)
&rst
ixpk= 3080, nxpk= 10, iat= 944, 942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:3081 62 ARG HN 3.50 (# 3081:10 Single Ambig)
&rst
ixpk= 3081, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 952, 953, 952, 953, 769, 770,
&end
#
# 0 AMB 10-2:3082 0 AMB 10-1:3082 4.50 (# 3082:10 Double Ambig)
&rst
ixpk= 3082, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 970, 971,1722,
igr2= 942,1780,
&end
#
# 62 ARG HB+ 62 ARG HN 2.80 (# 3083:10 Unique 2.46, 3.15 A)
&rst
ixpk= 3083, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 946, 947,
&end
#
# 62 ARG HG+ 62 ARG HN 3.50 (# 3084:10 Unique 1.90, 2.70 A)
&rst
ixpk= 3084, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 949, 950,
&end
#
# 62 ARG HG- 62 ARG HN 3.50 (# 3085:10 Unique 1.90, 2.70 A)
&rst
ixpk= 3085, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 949, 950,
&end
#
# 0 AMB 10-2:3086 0 AMB 10-1:3086 5.50 (# 3086:10 Double Ambig)
&rst
ixpk= 3086, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 921, 922, 923, 925, 926, 927, 921, 922, 923, 925,
926, 927, 192, 193, 194,
igr2= 942,1780,
&end
#
# 0 AMB 10-2:3087 153 SER HN 5.50 (# 3087:10 Single Ambig)
&rst
ixpk= 3087, nxpk= 10, iat= -1,2532, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2472,2473,2475,2476,
&end
#
# 0 AMB 10-2:3088 154 VAL HN 5.50 (# 3088:10 Single Ambig)
&rst
ixpk= 3088, nxpk= 10, iat= -1,2543, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1082,1083,1084,1063,1064,
&end
#
# 156 MET ME 156 MET HN 4.50 (# 3089:10 Unique 2.67, 5.47 A)
&rst
ixpk= 3089, nxpk= 10, iat= -1,2575, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2586,2587,2588,
&end
#
# 0 AMB 10-2:3093 162 THR HN 5.50 (# 3093:10 Single Ambig)
&rst
ixpk= 3093, nxpk= 10, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2646,2647,2629,2630,2629,2630,
&end
#
# 83 LEU HN 86 TRP HE1 5.50 (# 3094:10 Unique 5.44, 5.58 A)
&rst
ixpk= 3094, nxpk= 10, iat=1340,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:3095 159 GLN HE2- 5.50 (# 3095:10 Single Ambig)
&rst
ixpk= 3095, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 258,2639,
igr2=2634,2635,
&end
#
# 52 ARG HD+ 52 ARG HE 5.50 (# 3098:10 Unique 2.30, 2.78 A)
&rst
ixpk= 3098, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 796, 797,
&end
#
# 52 ARG HD- 52 ARG HE 5.50 (# 3099:10 Unique 2.30, 2.78 A)
&rst
ixpk= 3099, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 796, 797,
&end
#
# 52 ARG HB+ 52 ARG HE 5.50 (# 3100:10 Unique 1.88, 2.73 A)
&rst
ixpk= 3100, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 790, 791,
&end
#
# 0 AMB 10-2:3101 52 ARG HE 4.50 (# 3101:10 Single Ambig)
&rst
ixpk= 3101, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 793, 794, 793, 794,
&end
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