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 |
|
|
492129 |
2k3k   |
cing | 1-original | 5 | AMBER | distance | NOE | ambi |
# 4 LEU HN 3 MET HA 2.80 (# 0:25 Unique 2.19, 2.33 A)
&rst
ixpk= 0, nxpk= 25, iat= 53, 38, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 0 AMB 25-3:2 3 MET HA 3.50 (# 2:25 Single Ambig)
&rst
ixpk= 2, nxpk= 25, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 40, 41, 40, 41,
&end
#
# 0 AMB 25-3:3 3 MET HA 3.50 (# 3:25 Single Ambig)
&rst
ixpk= 3, nxpk= 25, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 43, 44, 43, 44,
&end
#
# 4 LEU HG 3 MET HA 5.50 (# 4:25 Unique 3.27, 5.52 A)
&rst
ixpk= 4, nxpk= 25, iat= 60, 38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:5 3 MET HA 3.50 (# 5:25 Single Ambig)
&rst
ixpk= 5, nxpk= 25, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 62, 63, 64, 66, 67, 68, 62, 63, 64, 66,
67, 68,
&end
#
# 0 AMB 25-3:6 0 AMB 25-1:6 4.50 (# 6:25 Double Ambig)
&rst
ixpk= 6, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 43, 44, 43, 44,
igr2= 40, 41, 40, 41,
&end
#
# 0 AMB 25-3:7 0 AMB 25-1:7 4.50 (# 7:25 Double Ambig)
&rst
ixpk= 7, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 43, 44, 43, 44, 43, 44,
igr2= 40, 41, 40, 41, 40, 41,
&end
#
# 0 AMB 25-3:8 0 AMB 25-1:8 3.50 (# 8:25 Double Ambig)
&rst
ixpk= 8, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 38,1043,
igr2= 40, 41, 40, 41, 40, 41,
&end
#
# 0 AMB 25-3:9 0 AMB 25-1:9 4.50 (# 9:25 Double Ambig)
&rst
ixpk= 9, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 40, 41, 40, 41,
igr2= 43, 44, 43, 44,
&end
#
# 0 AMB 25-3:10 0 AMB 25-1:10 3.50 (# 10:25 Double Ambig)
&rst
ixpk= 10, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 40, 41, 40, 41, 25, 26,
igr2= 43, 44, 43, 44, 43, 44,
&end
#
# 5 PRO HD- 4 LEU HA 2.80 (# 11:25 Unique 2.02, 2.43 A)
&rst
ixpk= 11, nxpk= 25, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 73, 74,
&end
#
# 5 PRO HD+ 4 LEU HA 3.50 (# 12:25 Unique 2.02, 2.43 A)
&rst
ixpk= 12, nxpk= 25, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 73, 74,
&end
#
# 0 AMB 25-3:13 4 LEU HA 2.80 (# 13:25 Single Ambig)
&rst
ixpk= 13, nxpk= 25, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 62, 63, 64, 66, 67, 68, 62, 63, 64, 66,
67, 68,
&end
#
# 4 LEU HB- 4 LEU HA 3.50 (# 14:25 Unique 2.23, 2.71 A)
&rst
ixpk= 14, nxpk= 25, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 57, 58,
&end
#
# 0 AMB 25-3:15 4 LEU HA 3.50 (# 15:25 Single Ambig)
&rst
ixpk= 15, nxpk= 25, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 57, 58, 60,
&end
#
# 4 LEU HN 4 LEU HA 5.50 (# 16:25 Unique 2.49, 2.84 A)
&rst
ixpk= 16, nxpk= 25, iat= 53, 55, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 LEU HN 4 LEU HB+ 4.50 (# 17:25 Unique 2.19, 3.05 A)
&rst
ixpk= 17, nxpk= 25, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 57, 58,
&end
#
# 70 GLN HN 66 LEU HB+ 5.50 (# 18:25 Unique 5.71, 6.18 A)
&rst
ixpk= 18, nxpk= 25, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1080,1081,
&end
#
# 0 AMB 25-3:19 0 AMB 25-1:19 4.50 (# 19:25 Double Ambig)
&rst
ixpk= 19, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1043, 55,
igr2=1080,1081, 57, 58,
&end
#
# 0 AMB 25-3:20 0 AMB 25-1:20 5.50 (# 20:25 Double Ambig)
&rst
ixpk= 20, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 73, 74,1078,
igr2= 57, 58,1080,1081,
&end
#
# 0 AMB 25-3:22 0 AMB 25-1:22 2.80 (# 22:25 Double Ambig)
&rst
ixpk= 22, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 62, 63, 64, 66, 67, 68, 62, 63, 64, 66,
67, 68,
igr2= 57, 58, 57, 58,
&end
#
# 4 LEU HA 4 LEU HB- 4.50 (# 23:25 Unique 2.23, 2.71 A)
&rst
ixpk= 23, nxpk= 25, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 57, 58,
&end
#
# 5 PRO HD- 4 LEU HB- 5.50 (# 25:25 Unique 2.25, 4.01 A)
&rst
ixpk= 25, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 73, 74,
igr2= 57, 58,
&end
#
# 0 AMB 25-3:27 4 LEU HB- 2.80 (# 27:25 Single Ambig)
&rst
ixpk= 27, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 62, 63, 64, 66, 67, 68, 62, 63, 64, 66,
67, 68,
igr2= 57, 58,
&end
#
# 4 LEU HN 4 LEU HG 4.50 (# 28:25 Unique 2.20, 3.73 A)
&rst
ixpk= 28, nxpk= 25, iat= 53, 60, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:29 0 AMB 25-1:29 4.50 (# 29:25 Double Ambig)
&rst
ixpk= 29, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 55, 713, 38,
igr2= 60, 718,
&end
#
# 0 AMB 25-3:30 0 AMB 25-1:30 2.80 (# 30:25 Double Ambig)
&rst
ixpk= 30, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 720, 721, 722, 724, 725, 726, 720, 721, 722, 724,
725, 726, 62, 63, 64, 66, 67, 68, 62, 63,
64, 66, 67, 68,
igr2= 718, 60,
&end
#
# 0 AMB 25-3:31 4 LEU HG 2.80 (# 31:25 Single Ambig)
&rst
ixpk= 31, nxpk= 25, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 57, 58, 79, 80,
&end
#
# 0 AMB 25-3:32 0 AMB 25-1:32 3.50 (# 32:25 Double Ambig)
&rst
ixpk= 32, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 55, 713,
igr2= 62, 63, 64, 66, 67, 68, 720, 721, 722, 724,
725, 726,
&end
#
# 5 PRO HD- 4 LEU MDX 5.50 (# 33:25 Unique 2.51, 5.26 A)
&rst
ixpk= 33, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 73, 74,
igr2= 62, 63, 64, 66, 67, 68,
&end
#
# 5 PRO HD+ 4 LEU MDX 4.50 (# 34:25 Unique 2.51, 5.26 A)
&rst
ixpk= 34, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 73, 74,
igr2= 62, 63, 64, 66, 67, 68,
&end
#
# 0 AMB 25-3:35 0 AMB 25-1:35 4.50 (# 35:25 Double Ambig)
&rst
ixpk= 35, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 40, 41, 40, 41, 818, 819, 820,
igr2= 62, 63, 64, 66, 67, 68, 720, 721, 722, 724,
725, 726,
&end
#
# 0 AMB 25-3:36 0 AMB 25-1:36 2.80 (# 36:25 Double Ambig)
&rst
ixpk= 36, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 57, 58, 57, 58, 737, 738,
igr2= 62, 63, 64, 66, 67, 68, 720, 721, 722, 724,
725, 726,
&end
#
# 4 LEU HG 4 LEU MDX 2.80 (# 37:25 Unique 2.28, 2.65 A)
&rst
ixpk= 37, nxpk= 25, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 62, 63, 64, 66, 67, 68,
&end
#
# 0 AMB 25-3:40 55 ILE QG2 2.80 (# 40:25 Single Ambig)
&rst
ixpk= 40, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 639, 640, 928, 929,
igr2= 924, 925, 926,
&end
#
# 55 ILE HG1+ 55 ILE QG2 2.80 (# 41:25 Unique 2.28, 3.06 A)
&rst
ixpk= 41, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 928, 929,
igr2= 924, 925, 926,
&end
#
# 55 ILE HB 55 ILE QG2 2.80 (# 42:25 Unique 2.32, 2.66 A)
&rst
ixpk= 42, nxpk= 25, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 924, 925, 926,
&end
#
# 55 ILE HA 55 ILE QG2 3.50 (# 43:25 Unique 2.42, 3.12 A)
&rst
ixpk= 43, nxpk= 25, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 924, 925, 926,
&end
#
# 55 ILE HN 55 ILE QG2 5.50 (# 44:25 Unique 3.90, 4.54 A)
&rst
ixpk= 44, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 924, 925, 926,
&end
#
# 102 PRO HD+ 101 ARG HA 3.50 (# 45:25 Unique 2.00, 2.45 A)
&rst
ixpk= 45, nxpk= 25, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1671,1672,
&end
#
# 0 AMB 25-3:60 22 GLU HA 4.50 (# 60:25 Single Ambig)
&rst
ixpk= 60, nxpk= 25, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 358, 359, 358, 359,
&end
#
# 46 LEU QD2 0 AMB 25-1:62 4.50 (# 62:25 Single Ambig)
&rst
ixpk= 62, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 779, 780, 781,
igr2= 768, 787,
&end
#
# 7 GLN HB- 7 GLN HA 5.50 (# 64:25 Unique 2.26, 2.79 A)
&rst
ixpk= 64, nxpk= 25, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 104, 105,
&end
#
# 19 LYS HN 19 LYS HB- 5.50 (# 78:25 Unique 2.36, 2.59 A)
&rst
ixpk= 78, nxpk= 25, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 311, 312,
&end
#
# 97 THR QG2 97 THR HA 3.50 (# 82:25 Unique 2.06, 2.93 A)
&rst
ixpk= 82, nxpk= 25, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1581,1582,1583,
&end
#
# 97 THR QG2 97 THR HB 2.80 (# 85:25 Unique 2.06, 2.66 A)
&rst
ixpk= 85, nxpk= 25, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1581,1582,1583,
&end
#
# 97 THR HA 97 THR QG2 3.50 (# 96:25 Unique 2.06, 2.93 A)
&rst
ixpk= 96, nxpk= 25, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1581,1582,1583,
&end
#
# 9 ILE HB 9 ILE HA 3.50 (# 98:25 Unique 2.02, 2.32 A)
&rst
ixpk= 98, nxpk= 25, iat= 135, 133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:99 9 ILE HA 5.50 (# 99:25 Single Ambig)
&rst
ixpk= 99, nxpk= 25, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1083, 123, 124, 125,
&end
#
# 9 ILE QG2 9 ILE HA 3.50 (# 100:25 Unique 2.45, 3.20 A)
&rst
ixpk= 100, nxpk= 25, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 137, 138, 139,
&end
#
# 84 SER HN 9 ILE HA 5.50 (# 102:25 Unique 2.18, 2.56 A)
&rst
ixpk= 102, nxpk= 25, iat=1381, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TYR HN 9 ILE HA 3.50 (# 103:25 Unique 2.04, 2.31 A)
&rst
ixpk= 103, nxpk= 25, iat= 150, 133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ILE QD1 9 ILE HB 4.50 (# 105:25 Unique 2.43, 3.27 A)
&rst
ixpk= 105, nxpk= 25, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 144, 145, 146,
&end
#
# 9 ILE QG2 9 ILE HB 3.50 (# 106:25 Unique 2.06, 2.64 A)
&rst
ixpk= 106, nxpk= 25, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 137, 138, 139,
&end
#
# 81 ILE QG2 9 ILE HB 3.50 (# 107:25 Unique 2.49, 3.20 A)
&rst
ixpk= 107, nxpk= 25, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1337,1338,1339,
&end
#
# 66 LEU HG 9 ILE HB 5.50 (# 108:25 Unique 2.33, 2.72 A)
&rst
ixpk= 108, nxpk= 25, iat=1083, 135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ILE HA 9 ILE HB 4.50 (# 109:25 Unique 2.02, 2.32 A)
&rst
ixpk= 109, nxpk= 25, iat= 133, 135, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 TYR HN 9 ILE HB 5.50 (# 110:25 Unique 2.17, 2.50 A)
&rst
ixpk= 110, nxpk= 25, iat= 150, 135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:111 0 AMB 25-1:111 4.50 (# 111:25 Double Ambig)
&rst
ixpk= 111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 908, 909, 910, 912, 913, 914, 144, 145, 146,
igr2= 141, 142, 141, 142,
&end
#
# 0 AMB 25-3:112 9 ILE HG1- 4.50 (# 112:25 Single Ambig)
&rst
ixpk= 112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 908, 909, 910, 912, 913, 914, 144, 145, 146,
igr2= 141, 142,
&end
#
# 81 ILE QG2 9 ILE QD1 3.50 (# 115:25 Unique 2.16, 3.80 A)
&rst
ixpk= 115, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1337,1338,1339,
igr2= 144, 145, 146,
&end
#
# 0 AMB 25-3:116 9 ILE QD1 2.80 (# 116:25 Single Ambig)
&rst
ixpk= 116, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 137, 138, 139,1344,1345,1346, 181, 182,
igr2= 144, 145, 146,
&end
#
# 0 AMB 25-3:117 9 ILE QD1 3.50 (# 117:25 Single Ambig)
&rst
ixpk= 117, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1083,1070,1071,1072,
igr2= 144, 145, 146,
&end
#
# 0 AMB 25-3:118 9 ILE QD1 3.50 (# 118:25 Single Ambig)
&rst
ixpk= 118, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 141, 142,1080,1081, 181, 182,
igr2= 144, 145, 146,
&end
#
# 9 ILE HG1+ 9 ILE QD1 3.50 (# 119:25 Unique 2.24, 2.65 A)
&rst
ixpk= 119, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 141, 142,
igr2= 144, 145, 146,
&end
#
# 9 ILE HB 9 ILE QD1 3.50 (# 120:25 Unique 2.43, 3.27 A)
&rst
ixpk= 120, nxpk= 25, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 144, 145, 146,
&end
#
# 31 PHE QE 9 ILE QD1 5.50 (# 121:25 Unique 2.27, 5.32 A)
&rst
ixpk= 121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 534, 538,
igr2= 144, 145, 146,
&end
#
# 56 PHE QE 9 ILE QD1 3.50 (# 122:25 Unique 2.29, 4.40 A)
&rst
ixpk= 122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 947, 951,
igr2= 144, 145, 146,
&end
#
# 56 PHE QD 9 ILE QD1 4.50 (# 123:25 Unique 3.57, 6.06 A)
&rst
ixpk= 123, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 945, 953,
igr2= 144, 145, 146,
&end
#
# 9 ILE HN 9 ILE QD1 4.50 (# 125:25 Unique 4.34, 4.88 A)
&rst
ixpk= 125, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 144, 145, 146,
&end
#
# 0 AMB 25-3:126 9 ILE QD1 4.50 (# 126:25 Single Ambig)
&rst
ixpk= 126, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1080,1081,1335,
igr2= 144, 145, 146,
&end
#
# 0 AMB 25-3:127 9 ILE QD1 2.80 (# 127:25 Single Ambig)
&rst
ixpk= 127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 184, 185, 186,1085,1086,1087,1089,1090,1091,
igr2= 144, 145, 146,
&end
#
# 66 LEU MDY 9 ILE QG2 5.50 (# 128:25 Unique 2.30, 5.24 A)
&rst
ixpk= 128, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1085,1086,1087,1089,1090,1091,
igr2= 137, 138, 139,
&end
#
# 9 ILE QD1 9 ILE QG2 3.50 (# 129:25 Unique 2.26, 3.63 A)
&rst
ixpk= 129, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 144, 145, 146,
igr2= 137, 138, 139,
&end
#
# 66 LEU MDX 9 ILE QG2 5.50 (# 130:25 Unique 2.30, 5.24 A)
&rst
ixpk= 130, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1085,1086,1087,1089,1090,1091,
igr2= 137, 138, 139,
&end
#
# 9 ILE HA 9 ILE QG2 3.50 (# 131:25 Unique 2.45, 3.20 A)
&rst
ixpk= 131, nxpk= 25, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 137, 138, 139,
&end
#
# 9 ILE HN 9 ILE QG2 4.50 (# 132:25 Unique 2.50, 3.62 A)
&rst
ixpk= 132, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 137, 138, 139,
&end
#
# 0 AMB 25-3:133 9 ILE QG2 5.50 (# 133:25 Single Ambig)
&rst
ixpk= 133, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1381,1360, 100,
igr2= 137, 138, 139,
&end
#
# 55 ILE HN 0 AMB 25-1:134 5.50 (# 134:25 Single Ambig)
&rst
ixpk= 134, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 924, 925, 926, 137, 138, 139,
&end
#
# 10 TYR HN 9 ILE QG2 5.50 (# 135:25 Unique 3.95, 4.70 A)
&rst
ixpk= 135, nxpk= 25, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 137, 138, 139,
&end
#
# 56 PHE QD 9 ILE QG2 3.50 (# 136:25 Unique 2.66, 5.74 A)
&rst
ixpk= 136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 945, 953,
igr2= 137, 138, 139,
&end
#
# 0 AMB 25-3:137 9 ILE QG2 3.50 (# 137:25 Single Ambig)
&rst
ixpk= 137, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1083,1070,1071,1072,
igr2= 137, 138, 139,
&end
#
# 0 AMB 25-3:138 0 AMB 25-1:138 2.80 (# 138:25 Double Ambig)
&rst
ixpk= 138, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1080,1081, 928, 929, 141, 142,
igr2= 137, 138, 139, 924, 925, 926,
&end
#
# 0 AMB 25-3:139 0 AMB 25-1:139 2.80 (# 139:25 Double Ambig)
&rst
ixpk= 139, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 639, 640, 141, 142,
igr2= 924, 925, 926, 137, 138, 139,
&end
#
# 0 AMB 25-3:140 9 ILE QG2 2.80 (# 140:25 Single Ambig)
&rst
ixpk= 140, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 135,1035,1036,1037,
igr2= 137, 138, 139,
&end
#
# 66 LEU HN 9 ILE QG2 5.50 (# 141:25 Unique 2.84, 4.47 A)
&rst
ixpk= 141, nxpk= 25, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 137, 138, 139,
&end
#
# 53 PHE HA 10 TYR HA 5.50 (# 143:25 Unique 2.51, 2.91 A)
&rst
ixpk= 143, nxpk= 25, iat= 884, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ASN HD2- 10 TYR HA 5.50 (# 144:25 Unique 4.31, 5.81 A)
&rst
ixpk= 144, nxpk= 25, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 199, 200,
&end
#
# 11 ILE HN 10 TYR HA 5.50 (# 145:25 Unique 2.00, 2.18 A)
&rst
ixpk= 145, nxpk= 25, iat= 171, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TYR QD 0 AMB 25-1:158 5.50 (# 158:25 Single Ambig)
&rst
ixpk= 158, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 158, 167,
igr2= 154, 155, 154, 155,
&end
#
# 0 AMB 25-3:162 0 AMB 25-1:162 5.50 (# 162:25 Double Ambig)
&rst
ixpk= 162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 152, 133,
igr2= 154, 155, 154, 155,
&end
#
# 91 VAL HN 87 ASP HB+ 5.50 (# 163:25 Unique 5.11, 5.93 A)
&rst
ixpk= 163, nxpk= 25, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1429,1430,
&end
#
# 10 TYR HN 0 AMB 25-1:166 5.50 (# 166:25 Single Ambig)
&rst
ixpk= 166, nxpk= 25, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 154, 155, 154, 155,
&end
#
# 11 ILE QG2 11 ILE HA 3.50 (# 168:25 Unique 2.32, 3.24 A)
&rst
ixpk= 168, nxpk= 25, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 177, 178, 179,
&end
#
# 81 ILE HA 11 ILE HA 4.50 (# 172:25 Unique 2.32, 2.43 A)
&rst
ixpk= 172, nxpk= 25, iat=1333, 173, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ASN HN 11 ILE HA 4.50 (# 173:25 Unique 2.16, 2.23 A)
&rst
ixpk= 173, nxpk= 25, iat= 190, 173, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ALA QB 11 ILE HB 4.50 (# 178:25 Unique 2.22, 3.48 A)
&rst
ixpk= 178, nxpk= 25, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 876, 877, 878,
&end
#
# 11 ILE QG2 11 ILE HB 3.50 (# 179:25 Unique 2.14, 2.66 A)
&rst
ixpk= 179, nxpk= 25, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 177, 178, 179,
&end
#
# 11 ILE QD1 11 ILE HB 5.50 (# 181:25 Unique 2.49, 3.18 A)
&rst
ixpk= 181, nxpk= 25, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 184, 185, 186,
&end
#
# 52 ALA HN 11 ILE HB 5.50 (# 182:25 Unique 2.56, 2.77 A)
&rst
ixpk= 182, nxpk= 25, iat= 872, 175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ILE HN 11 ILE HB 5.50 (# 183:25 Unique 2.23, 2.37 A)
&rst
ixpk= 183, nxpk= 25, iat= 171, 175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ILE HG1+ 11 ILE HB 4.50 (# 185:25 Unique 2.47, 2.80 A)
&rst
ixpk= 185, nxpk= 25, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 181, 182,
&end
#
# 11 ILE QD1 11 ILE HG1+ 3.50 (# 192:25 Unique 2.23, 2.65 A)
&rst
ixpk= 192, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 184, 185, 186,
igr2= 181, 182,
&end
#
# 11 ILE QD1 11 ILE HG1- 4.50 (# 193:25 Unique 2.23, 2.65 A)
&rst
ixpk= 193, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 184, 185, 186,
igr2= 181, 182,
&end
#
# 11 ILE HB 11 ILE HG1+ 4.50 (# 194:25 Unique 2.47, 2.80 A)
&rst
ixpk= 194, nxpk= 25, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 181, 182,
&end
#
# 11 ILE HB 11 ILE HG1- 4.50 (# 195:25 Unique 2.47, 2.80 A)
&rst
ixpk= 195, nxpk= 25, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 181, 182,
&end
#
# 0 AMB 25-3:196 0 AMB 25-1:196 5.50 (# 196:25 Double Ambig)
&rst
ixpk= 196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1341,1342,1341,1342,
igr2= 181, 182, 181, 182,
&end
#
# 0 AMB 25-3:197 11 ILE HG1- 4.50 (# 197:25 Single Ambig)
&rst
ixpk= 197, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1341,1342,1341,1342,
igr2= 181, 182,
&end
#
# 82 ALA HN 11 ILE HG1- 4.50 (# 198:25 Unique 4.44, 5.14 A)
&rst
ixpk= 198, nxpk= 25, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 181, 182,
&end
#
# 11 ILE HN 11 ILE HG1+ 5.50 (# 199:25 Unique 2.23, 3.12 A)
&rst
ixpk= 199, nxpk= 25, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 181, 182,
&end
#
# 0 AMB 25-3:200 11 ILE HG1- 5.50 (# 200:25 Single Ambig)
&rst
ixpk= 200, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1333, 152,
igr2= 181, 182,
&end
#
# 0 AMB 25-3:201 0 AMB 25-1:201 5.50 (# 201:25 Double Ambig)
&rst
ixpk= 201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1333, 152,
igr2= 181, 182, 181, 182,
&end
#
# 0 AMB 25-3:202 11 ILE QD1 2.80 (# 202:25 Single Ambig)
&rst
ixpk= 202, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 908, 909, 910, 912, 913, 914, 144, 145, 146,
igr2= 184, 185, 186,
&end
#
# 81 ILE QG2 11 ILE QD1 3.50 (# 203:25 Unique 3.10, 5.31 A)
&rst
ixpk= 203, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1337,1338,1339,
igr2= 184, 185, 186,
&end
#
# 0 AMB 25-3:204 11 ILE QD1 3.50 (# 204:25 Single Ambig)
&rst
ixpk= 204, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 177, 178, 179,1344,1345,1346,
igr2= 184, 185, 186,
&end
#
# 52 ALA QB 11 ILE QD1 3.50 (# 205:25 Unique 2.35, 4.75 A)
&rst
ixpk= 205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 876, 877, 878,
igr2= 184, 185, 186,
&end
#
# 0 AMB 25-3:206 11 ILE QD1 3.50 (# 206:25 Single Ambig)
&rst
ixpk= 206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 181, 182, 141, 142,
igr2= 184, 185, 186,
&end
#
# 0 AMB 25-3:207 11 ILE QD1 2.80 (# 207:25 Single Ambig)
&rst
ixpk= 207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 175, 906,
igr2= 184, 185, 186,
&end
#
# 31 PHE QE 11 ILE QD1 5.50 (# 208:25 Unique 2.59, 4.55 A)
&rst
ixpk= 208, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 534, 538,
igr2= 184, 185, 186,
&end
#
# 56 PHE QE 11 ILE QD1 4.50 (# 209:25 Unique 4.84, 6.80 A)
&rst
ixpk= 209, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 947, 951,
igr2= 184, 185, 186,
&end
#
# 31 PHE QD 11 ILE QD1 5.50 (# 210:25 Unique 3.55, 5.58 A)
&rst
ixpk= 210, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 532, 540,
igr2= 184, 185, 186,
&end
#
# 0 AMB 25-3:211 11 ILE QD1 5.50 (# 211:25 Single Ambig)
&rst
ixpk= 211, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1350, 455,
igr2= 184, 185, 186,
&end
#
# 0 AMB 25-3:212 11 ILE QD1 4.50 (# 212:25 Single Ambig)
&rst
ixpk= 212, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 902, 872, 131, 685,
igr2= 184, 185, 186,
&end
#
# 53 PHE HA 11 ILE QD1 5.50 (# 213:25 Unique 4.52, 5.90 A)
&rst
ixpk= 213, nxpk= 25, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 184, 185, 186,
&end
#
# 0 AMB 25-3:214 11 ILE QD1 5.50 (# 214:25 Single Ambig)
&rst
ixpk= 214, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 874, 133,
igr2= 184, 185, 186,
&end
#
# 69 MET QE 11 ILE QD1 5.50 (# 215:25 Unique 4.42, 7.87 A)
&rst
ixpk= 215, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1144,1145,1146,
igr2= 184, 185, 186,
&end
#
# 54 VAL QG+ 11 ILE QD1 5.50 (# 217:25 Unique 2.33, 4.69 A)
&rst
ixpk= 217, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 908, 909, 910, 912, 913, 914,
igr2= 184, 185, 186,
&end
#
# 11 ILE QD1 11 ILE QG2 3.50 (# 218:25 Unique 2.25, 3.82 A)
&rst
ixpk= 218, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 184, 185, 186,
igr2= 177, 178, 179,
&end
#
# 0 AMB 25-3:219 11 ILE QG2 3.50 (# 219:25 Single Ambig)
&rst
ixpk= 219, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
igr2= 177, 178, 179,
&end
#
# 0 AMB 25-3:220 11 ILE QG2 2.80 (# 220:25 Single Ambig)
&rst
ixpk= 220, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 225, 876, 877, 878,
igr2= 177, 178, 179,
&end
#
# 0 AMB 25-3:221 11 ILE QG2 4.50 (# 221:25 Single Ambig)
&rst
ixpk= 221, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 181, 182, 222, 223,
igr2= 177, 178, 179,
&end
#
# 11 ILE HB 11 ILE QG2 2.80 (# 222:25 Unique 2.14, 2.66 A)
&rst
ixpk= 222, nxpk= 25, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 177, 178, 179,
&end
#
# 79 MET HB- 11 ILE QG2 4.50 (# 224:25 Unique 3.12, 5.34 A)
&rst
ixpk= 224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1301,1302,
igr2= 177, 178, 179,
&end
#
# 0 AMB 25-3:225 11 ILE QG2 4.50 (# 225:25 Single Ambig)
&rst
ixpk= 225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1301,1302, 859, 860, 859, 860, 208, 209,
igr2= 177, 178, 179,
&end
#
# 79 MET HG- 11 ILE QG2 5.50 (# 226:25 Unique 4.29, 5.53 A)
&rst
ixpk= 226, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1304,1305,
igr2= 177, 178, 179,
&end
#
# 11 ILE HA 11 ILE QG2 3.50 (# 227:25 Unique 2.32, 3.24 A)
&rst
ixpk= 227, nxpk= 25, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 177, 178, 179,
&end
#
# 0 AMB 25-3:228 11 ILE QG2 5.50 (# 228:25 Single Ambig)
&rst
ixpk= 228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1314, 855,
igr2= 177, 178, 179,
&end
#
# 52 ALA HN 11 ILE QG2 4.50 (# 229:25 Unique 3.52, 4.54 A)
&rst
ixpk= 229, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 177, 178, 179,
&end
#
# 12 ASN HN 11 ILE QG2 4.50 (# 230:25 Unique 2.25, 3.54 A)
&rst
ixpk= 230, nxpk= 25, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 177, 178, 179,
&end
#
# 12 ASN HB+ 12 ASN HA 4.50 (# 232:25 Unique 2.39, 2.66 A)
&rst
ixpk= 232, nxpk= 25, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 194, 195,
&end
#
# 51 GLN HA 12 ASN HA 4.50 (# 233:25 Unique 2.05, 2.55 A)
&rst
ixpk= 233, nxpk= 25, iat= 857, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASN HN 12 ASN HA 4.50 (# 234:25 Unique 2.45, 2.96 A)
&rst
ixpk= 234, nxpk= 25, iat= 204, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 VAL HB 0 AMB 25-1:237 5.50 (# 237:25 Single Ambig)
&rst
ixpk= 237, nxpk= 25, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 886, 887, 886, 887,
&end
#
# 12 ASN HA 12 ASN HB- 4.50 (# 240:25 Unique 2.39, 2.66 A)
&rst
ixpk= 240, nxpk= 25, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 194, 195,
&end
#
# 12 ASN HA 12 ASN HB+ 4.50 (# 241:25 Unique 2.39, 2.66 A)
&rst
ixpk= 241, nxpk= 25, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 194, 195,
&end
#
# 53 PHE QD 0 AMB 25-1:242 5.50 (# 242:25 Single Ambig)
&rst
ixpk= 242, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 890, 898,
igr2= 886, 887, 886, 887,
&end
#
# 12 ASN HN 12 ASN HB- 4.50 (# 243:25 Unique 2.46, 3.24 A)
&rst
ixpk= 243, nxpk= 25, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 194, 195,
&end
#
# 0 AMB 25-3:244 0 AMB 25-1:244 3.50 (# 244:25 Double Ambig)
&rst
ixpk= 244, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 882, 190, 685,
igr2= 886, 887, 886, 887, 194, 195, 886, 887,
&end
#
# 8 THR QG2 0 AMB 25-1:245 5.50 (# 245:25 Single Ambig)
&rst
ixpk= 245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 123, 124, 125,
igr2= 886, 887, 886, 887,
&end
#
# 0 AMB 25-3:247 13 ASN HA 5.50 (# 247:25 Single Ambig)
&rst
ixpk= 247, nxpk= 25, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1271,1272,1271,1272,
&end
#
# 0 AMB 25-3:248 13 ASN HA 4.50 (# 248:25 Single Ambig)
&rst
ixpk= 248, nxpk= 25, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1318,1319,1265,1266,
&end
#
# 13 ASN HB- 13 ASN HA 4.50 (# 249:25 Unique 2.33, 2.77 A)
&rst
ixpk= 249, nxpk= 25, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 208, 209,
&end
#
# 15 ASN HB- 13 ASN HA 7.00 (# 250:25 Unique 6.99, 7.77 A)
&rst
ixpk= 250, nxpk= 25, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 241, 242,
&end
#
# 13 ASN HB+ 13 ASN HA 5.50 (# 251:25 Unique 2.33, 2.77 A)
&rst
ixpk= 251, nxpk= 25, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 208, 209,
&end
#
# 0 AMB 25-3:252 13 ASN HA 5.50 (# 252:25 Single Ambig)
&rst
ixpk= 252, nxpk= 25, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 220,1299,
&end
#
# 14 LEU HN 13 ASN HA 4.50 (# 255:25 Unique 2.44, 2.64 A)
&rst
ixpk= 255, nxpk= 25, iat= 218, 206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASN HN 13 ASN HA 3.50 (# 257:25 Unique 2.21, 2.68 A)
&rst
ixpk= 257, nxpk= 25, iat= 204, 206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 GLN HB- 13 ASN HB- 5.50 (# 258:25 Unique 2.16, 3.44 A)
&rst
ixpk= 258, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1318,1319,
igr2= 208, 209,
&end
#
# 0 AMB 25-3:259 0 AMB 25-1:259 5.50 (# 259:25 Double Ambig)
&rst
ixpk= 259, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1318,1319,1318,1319,
igr2= 208, 209, 208, 209,
&end
#
# 13 ASN HA 13 ASN HB- 4.50 (# 260:25 Unique 2.33, 2.77 A)
&rst
ixpk= 260, nxpk= 25, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 208, 209,
&end
#
# 13 ASN HD2+ 13 ASN HB- 4.50 (# 261:25 Unique 2.00, 3.22 A)
&rst
ixpk= 261, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 213, 214,
igr2= 208, 209,
&end
#
# 13 ASN HD2+ 13 ASN HB+ 5.50 (# 262:25 Unique 2.00, 3.22 A)
&rst
ixpk= 262, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 213, 214,
igr2= 208, 209,
&end
#
# 13 ASN HD2- 13 ASN HB- 5.50 (# 263:25 Unique 2.00, 3.22 A)
&rst
ixpk= 263, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 213, 214,
igr2= 208, 209,
&end
#
# 80 GLN HA 13 ASN HB- 5.50 (# 264:25 Unique 4.33, 5.01 A)
&rst
ixpk= 264, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 208, 209,
&end
#
# 0 AMB 25-3:265 14 LEU HA 5.50 (# 265:25 Single Ambig)
&rst
ixpk= 265, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 14 LEU HG 14 LEU HA 3.50 (# 266:25 Unique 2.21, 2.47 A)
&rst
ixpk= 266, nxpk= 25, iat= 225, 220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:267 14 LEU HA 5.50 (# 267:25 Single Ambig)
&rst
ixpk= 267, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1271,1272, 292,
&end
#
# 14 LEU HB- 14 LEU HA 4.50 (# 268:25 Unique 2.50, 2.87 A)
&rst
ixpk= 268, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 222, 223,
&end
#
# 0 AMB 25-3:269 14 LEU HA 5.50 (# 269:25 Single Ambig)
&rst
ixpk= 269, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 241, 242,1304,1305,
&end
#
# 14 LEU HN 14 LEU HA 5.50 (# 273:25 Unique 2.85, 2.94 A)
&rst
ixpk= 273, nxpk= 25, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ASN HN 14 LEU HA 4.50 (# 274:25 Unique 2.05, 2.37 A)
&rst
ixpk= 274, nxpk= 25, iat= 237, 220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:275 14 LEU HB- 3.50 (# 275:25 Single Ambig)
&rst
ixpk= 275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
igr2= 222, 223,
&end
#
# 0 AMB 25-3:276 0 AMB 25-1:276 5.50 (# 276:25 Double Ambig)
&rst
ixpk= 276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
igr2= 222, 223, 222, 223,
&end
#
# 14 LEU HN 14 LEU HB+ 5.50 (# 277:25 Unique 2.06, 2.64 A)
&rst
ixpk= 277, nxpk= 25, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 222, 223,
&end
#
# 0 AMB 25-3:278 0 AMB 25-1:278 5.50 (# 278:25 Double Ambig)
&rst
ixpk= 278, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 532, 540,1216,1224,
igr2= 459, 460, 222, 223,
&end
#
# 0 AMB 25-3:279 0 AMB 25-1:279 5.50 (# 279:25 Double Ambig)
&rst
ixpk= 279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 288, 534, 538, 484, 489,
igr2= 222, 223, 459, 460,
&end
#
# 0 AMB 25-3:280 14 LEU HG 2.80 (# 280:25 Single Ambig)
&rst
ixpk= 280, nxpk= 25, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 11 ILE QG2 14 LEU HG 2.80 (# 281:25 Unique 2.56, 3.55 A)
&rst
ixpk= 281, nxpk= 25, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 177, 178, 179,
&end
#
# 14 LEU HB- 14 LEU HG 2.80 (# 282:25 Unique 2.30, 2.77 A)
&rst
ixpk= 282, nxpk= 25, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 222, 223,
&end
#
# 14 LEU HB+ 14 LEU HG 2.80 (# 283:25 Unique 2.30, 2.77 A)
&rst
ixpk= 283, nxpk= 25, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 222, 223,
&end
#
# 23 LEU HB+ 14 LEU HG 5.50 (# 284:25 Unique 5.47, 6.49 A)
&rst
ixpk= 284, nxpk= 25, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 385, 386,
&end
#
# 14 LEU HA 14 LEU HG 3.50 (# 285:25 Unique 2.21, 2.47 A)
&rst
ixpk= 285, nxpk= 25, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 PHE QE 14 LEU HG 5.50 (# 287:25 Unique 2.85, 5.74 A)
&rst
ixpk= 287, nxpk= 25, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1218,1222,
&end
#
# 74 PHE QD 14 LEU HG 4.50 (# 288:25 Unique 3.12, 5.63 A)
&rst
ixpk= 288, nxpk= 25, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1216,1224,
&end
#
# 0 AMB 25-3:289 14 LEU HG 5.50 (# 289:25 Single Ambig)
&rst
ixpk= 289, nxpk= 25, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1265,1266,1301,1302,
&end
#
# 0 AMB 25-3:290 14 LEU HG 5.50 (# 290:25 Single Ambig)
&rst
ixpk= 290, nxpk= 25, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1271,1272,1341,1342,1341,1342,
&end
#
# 0 AMB 25-3:291 0 AMB 25-1:291 4.50 (# 291:25 Double Ambig)
&rst
ixpk= 291, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 294, 295, 296, 184, 185, 186,
igr2= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 0 AMB 25-3:292 0 AMB 25-1:292 3.50 (# 292:25 Double Ambig)
&rst
ixpk= 292, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 298, 299, 298, 299, 298, 299, 177, 178, 179,
igr2= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 0 AMB 25-3:293 0 AMB 25-1:293 2.80 (# 293:25 Double Ambig)
&rst
ixpk= 293, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 225, 876, 877, 878,
igr2= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 14 LEU HB- 0 AMB 25-1:294 3.50 (# 294:25 Single Ambig)
&rst
ixpk= 294, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 222, 223,
igr2= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 0 AMB 25-3:295 0 AMB 25-1:295 3.50 (# 295:25 Double Ambig)
&rst
ixpk= 295, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 222, 223, 222, 223,
igr2= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 0 AMB 25-3:296 0 AMB 25-1:296 4.50 (# 296:25 Double Ambig)
&rst
ixpk= 296, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 292, 388, 385, 386,
igr2= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 12 ASN HA 0 AMB 25-1:298 5.50 (# 298:25 Single Ambig)
&rst
ixpk= 298, nxpk= 25, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 52 ALA HN 0 AMB 25-1:299 4.50 (# 299:25 Single Ambig)
&rst
ixpk= 299, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 15 ASN HB+ 15 ASN HA 4.50 (# 301:25 Unique 2.31, 2.77 A)
&rst
ixpk= 301, nxpk= 25, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 241, 242,
&end
#
# 0 AMB 25-3:302 15 ASN HA 4.50 (# 302:25 Single Ambig)
&rst
ixpk= 302, nxpk= 25, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1274,1275, 241, 242,
&end
#
# 77 LYS HD- 15 ASN HA 4.50 (# 303:25 Unique 2.03, 3.08 A)
&rst
ixpk= 303, nxpk= 25, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1271,1272,
&end
#
# 77 LYS HD+ 15 ASN HA 4.50 (# 304:25 Unique 2.03, 3.08 A)
&rst
ixpk= 304, nxpk= 25, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1271,1272,
&end
#
# 0 AMB 25-3:305 15 ASN HA 2.80 (# 305:25 Single Ambig)
&rst
ixpk= 305, nxpk= 25, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 251, 237,
&end
#
# 17 LYS HN 15 ASN HA 5.50 (# 306:25 Unique 4.03, 4.23 A)
&rst
ixpk= 306, nxpk= 25, iat= 266, 239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ASN HA 15 ASN HB+ 5.50 (# 309:25 Unique 2.31, 2.77 A)
&rst
ixpk= 309, nxpk= 25, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 241, 242,
&end
#
# 15 ASN HA 15 ASN HB- 5.50 (# 310:25 Unique 2.31, 2.77 A)
&rst
ixpk= 310, nxpk= 25, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 241, 242,
&end
#
# 0 AMB 25-3:312 0 AMB 25-1:312 5.50 (# 312:25 Double Ambig)
&rst
ixpk= 312, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 237, 251,
igr2= 241, 242, 241, 242,
&end
#
# 0 AMB 25-3:313 15 ASN HB- 5.50 (# 313:25 Single Ambig)
&rst
ixpk= 313, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 237, 251,
igr2= 241, 242,
&end
#
# 17 LYS HN 15 ASN HB+ 5.50 (# 314:25 Unique 3.45, 4.49 A)
&rst
ixpk= 314, nxpk= 25, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 241, 242,
&end
#
# 16 GLU HN 16 GLU HA 4.50 (# 315:25 Unique 2.22, 2.69 A)
&rst
ixpk= 315, nxpk= 25, iat= 251, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:317 16 GLU HA 2.80 (# 317:25 Single Ambig)
&rst
ixpk= 317, nxpk= 25, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 255, 256, 258, 259,
&end
#
# 17 LYS HN 16 GLU HA 5.50 (# 320:25 Unique 2.93, 3.37 A)
&rst
ixpk= 320, nxpk= 25, iat= 266, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:321 0 AMB 25-1:321 3.50 (# 321:25 Double Ambig)
&rst
ixpk= 321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 102, 368,
igr2= 104, 105, 370, 371,
&end
#
# 0 AMB 25-3:323 0 AMB 25-1:323 5.50 (# 323:25 Double Ambig)
&rst
ixpk= 323, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1= 385, 386, 928, 929, 292, 429, 430,
igr2= 370, 371, 104, 105, 370, 371, 370, 371,
&end
#
# 18 ILE QG2 22 GLU HB+ 5.50 (# 324:25 Unique 2.27, 3.25 A)
&rst
ixpk= 324, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 294, 295, 296,
igr2= 370, 371,
&end
#
# 22 GLU HN 22 GLU HB+ 3.50 (# 325:25 Unique 2.07, 2.97 A)
&rst
ixpk= 325, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 370, 371,
&end
#
# 0 AMB 25-3:326 0 AMB 25-1:326 4.50 (# 326:25 Double Ambig)
&rst
ixpk= 326, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 100, 381,
igr2= 104, 105, 370, 371,
&end
#
# 0 AMB 25-3:327 0 AMB 25-1:327 4.50 (# 327:25 Double Ambig)
&rst
ixpk= 327, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 102, 368,
igr2= 104, 105, 370, 371,
&end
#
# 0 AMB 25-3:328 0 AMB 25-1:328 4.50 (# 328:25 Double Ambig)
&rst
ixpk= 328, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1316, 981,
igr2=1318,1319, 104, 105,
&end
#
# 22 GLU HN 22 GLU HB- 4.50 (# 329:25 Unique 2.07, 2.97 A)
&rst
ixpk= 329, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 370, 371,
&end
#
# 0 AMB 25-3:330 0 AMB 25-1:330 5.50 (# 330:25 Double Ambig)
&rst
ixpk= 330, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1314,1162,1163,
igr2=1318,1319,1318,1319,
&end
#
# 36 GLN HA 36 GLN HB+ 4.50 (# 331:25 Unique 2.22, 2.74 A)
&rst
ixpk= 331, nxpk= 25, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 603, 604,
&end
#
# 36 GLN HA 36 GLN HB- 4.50 (# 332:25 Unique 2.22, 2.74 A)
&rst
ixpk= 332, nxpk= 25, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 603, 604,
&end
#
# 0 AMB 25-3:334 0 AMB 25-1:334 5.50 (# 334:25 Double Ambig)
&rst
ixpk= 334, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 268, 768, 787,
igr2= 255, 256, 255, 256, 255, 256,
&end
#
# 0 AMB 25-3:335 0 AMB 25-1:335 5.50 (# 335:25 Double Ambig)
&rst
ixpk= 335, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 599, 266,
igr2= 603, 604, 255, 256,
&end
#
# 0 AMB 25-3:336 0 AMB 25-1:336 4.50 (# 336:25 Double Ambig)
&rst
ixpk= 336, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 599, 266,
igr2= 603, 604, 255, 256,
&end
#
# 36 GLN HG- 36 GLN HB+ 5.50 (# 337:25 Unique 2.32, 2.60 A)
&rst
ixpk= 337, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 606, 607,
igr2= 603, 604,
&end
#
# 36 GLN HG- 36 GLN HB- 5.50 (# 338:25 Unique 2.32, 2.60 A)
&rst
ixpk= 338, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 606, 607,
igr2= 603, 604,
&end
#
# 0 AMB 25-3:339 0 AMB 25-1:339 4.50 (# 339:25 Double Ambig)
&rst
ixpk= 339, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 601, 239,
igr2= 603, 604, 255, 256,
&end
#
# 0 AMB 25-3:340 0 AMB 25-1:340 5.50 (# 340:25 Double Ambig)
&rst
ixpk= 340, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1314,1162,1163,
igr2=1318,1319,1318,1319,
&end
#
# 0 AMB 25-3:341 0 AMB 25-1:341 4.50 (# 341:25 Double Ambig)
&rst
ixpk= 341, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 967, 968, 967, 968, 831, 832, 831, 832,
igr2= 603, 604, 255, 256,
&end
#
# 16 GLU HB+ 16 GLU HG+ 2.80 (# 342:25 Unique 2.17, 2.70 A)
&rst
ixpk= 342, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 255, 256,
igr2= 258, 259,
&end
#
# 16 GLU HB+ 16 GLU HG- 2.80 (# 343:25 Unique 2.17, 2.70 A)
&rst
ixpk= 343, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 255, 256,
igr2= 258, 259,
&end
#
# 0 AMB 25-3:344 0 AMB 25-1:344 4.50 (# 344:25 Double Ambig)
&rst
ixpk= 344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 850, 851, 253,
igr2= 258, 259, 258, 259,
&end
#
# 0 AMB 25-3:345 16 GLU HG- 3.50 (# 345:25 Single Ambig)
&rst
ixpk= 345, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 850, 851, 253,
igr2= 258, 259,
&end
#
# 16 GLU HN 16 GLU HG+ 5.50 (# 346:25 Unique 2.08, 3.20 A)
&rst
ixpk= 346, nxpk= 25, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 258, 259,
&end
#
# 16 GLU HN 16 GLU HG- 5.50 (# 347:25 Unique 2.08, 3.20 A)
&rst
ixpk= 347, nxpk= 25, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 258, 259,
&end
#
# 17 LYS HN 17 LYS HA 3.50 (# 350:25 Unique 2.79, 2.90 A)
&rst
ixpk= 350, nxpk= 25, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:351 0 AMB 25-1:351 4.50 (# 351:25 Double Ambig)
&rst
ixpk= 351, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 311, 312, 255, 256, 333, 334,
igr2= 309, 268,
&end
#
# 0 AMB 25-3:352 0 AMB 25-1:352 2.80 (# 352:25 Double Ambig)
&rst
ixpk= 352, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 270, 271, 311, 312,
igr2= 268, 309,
&end
#
# 0 AMB 25-3:353 17 LYS HA 3.50 (# 353:25 Single Ambig)
&rst
ixpk= 353, nxpk= 25, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 831, 832, 831, 832, 276, 277, 276, 277,
&end
#
# 17 LYS HG- 17 LYS HA 3.50 (# 354:25 Unique 3.66, 3.89 A)
&rst
ixpk= 354, nxpk= 25, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 273, 274,
&end
#
# 0 AMB 25-3:356 0 AMB 25-1:356 4.50 (# 356:25 Double Ambig)
&rst
ixpk= 356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 402, 290,
igr2= 404, 405, 270, 271,
&end
#
# 17 LYS HN 17 LYS HB- 4.50 (# 357:25 Unique 2.05, 3.35 A)
&rst
ixpk= 357, nxpk= 25, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 270, 271,
&end
#
# 0 AMB 25-3:358 0 AMB 25-1:358 4.50 (# 358:25 Double Ambig)
&rst
ixpk= 358, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 720, 721, 722, 724, 725, 726, 720, 721, 722, 724,
725, 726, 298, 299, 298, 299,
igr2= 342, 343, 279, 280, 279, 280,
&end
#
# 0 AMB 25-3:361 0 AMB 25-1:361 3.50 (# 361:25 Double Ambig)
&rst
ixpk= 361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 426, 427, 426, 427, 426, 427, 961, 962, 961, 962,
igr2= 435, 436, 435, 436, 435, 436, 970, 971, 970, 971,
&end
#
# 0 AMB 25-3:363 0 AMB 25-1:363 3.50 (# 363:25 Double Ambig)
&rst
ixpk= 363, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 258, 259, 258, 259, 358, 359,
igr2= 279, 280, 279, 280, 413, 414, 413, 414, 435, 436,
&end
#
# 0 AMB 25-3:364 0 AMB 25-1:364 3.50 (# 364:25 Double Ambig)
&rst
ixpk= 364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1364,1365, 90, 91, 90, 91, 90, 91,
igr2=1405,1406,1405,1406,1405,1406,1405,1406,
&end
#
# 18 ILE QD1 18 ILE HA 3.50 (# 369:25 Unique 2.13, 3.11 A)
&rst
ixpk= 369, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 301, 302, 303,
&end
#
# 18 ILE QG2 18 ILE HA 3.50 (# 370:25 Unique 2.57, 3.25 A)
&rst
ixpk= 370, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 294, 295, 296,
&end
#
# 0 AMB 25-3:371 18 ILE HA 4.50 (# 371:25 Single Ambig)
&rst
ixpk= 371, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 292, 314, 315,
&end
#
# 19 LYS HN 18 ILE HA 2.80 (# 372:25 Unique 1.94, 2.17 A)
&rst
ixpk= 372, nxpk= 25, iat= 307, 290, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 ILE QD1 18 ILE HB 4.50 (# 373:25 Unique 2.41, 3.94 A)
&rst
ixpk= 373, nxpk= 25, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 301, 302, 303,
&end
#
# 18 ILE QG2 18 ILE HB 3.50 (# 374:25 Unique 2.28, 2.65 A)
&rst
ixpk= 374, nxpk= 25, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 294, 295, 296,
&end
#
# 0 AMB 25-3:375 18 ILE HB 3.50 (# 375:25 Single Ambig)
&rst
ixpk= 375, nxpk= 25, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 298, 299, 298, 299,
&end
#
# 23 LEU QD2 18 ILE HB 5.50 (# 376:25 Unique 4.48, 5.97 A)
&rst
ixpk= 376, nxpk= 25, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 394, 395, 396,
&end
#
# 18 ILE HN 18 ILE HB 4.50 (# 377:25 Unique 2.29, 2.44 A)
&rst
ixpk= 377, nxpk= 25, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ILE QD1 0 AMB 25-1:379 3.50 (# 379:25 Single Ambig)
&rst
ixpk= 379, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 301, 302, 303,
igr2= 298, 299, 298, 299,
&end
#
# 18 ILE QD1 18 ILE HG1+ 3.50 (# 380:25 Unique 2.22, 2.66 A)
&rst
ixpk= 380, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 301, 302, 303,
igr2= 298, 299,
&end
#
# 18 ILE HB 0 AMB 25-1:381 3.50 (# 381:25 Single Ambig)
&rst
ixpk= 381, nxpk= 25, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 298, 299, 298, 299,
&end
#
# 0 AMB 25-3:382 0 AMB 25-1:382 2.80 (# 382:25 Double Ambig)
&rst
ixpk= 382, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 388, 292, 385, 386,
igr2= 390, 391, 392, 298, 299,
&end
#
# 18 ILE QG2 18 ILE QD1 2.80 (# 383:25 Unique 2.25, 3.75 A)
&rst
ixpk= 383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 294, 295, 296,
igr2= 301, 302, 303,
&end
#
# 0 AMB 25-3:384 18 ILE QD1 3.50 (# 384:25 Single Ambig)
&rst
ixpk= 384, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 298, 299, 298, 299,
igr2= 301, 302, 303,
&end
#
# 18 ILE HB 18 ILE QD1 4.50 (# 385:25 Unique 2.41, 3.94 A)
&rst
ixpk= 385, nxpk= 25, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 301, 302, 303,
&end
#
# 0 AMB 25-3:386 18 ILE QD1 5.50 (# 386:25 Single Ambig)
&rst
ixpk= 386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 385, 386, 270, 271,
igr2= 301, 302, 303,
&end
#
# 15 ASN HB- 18 ILE QD1 5.50 (# 387:25 Unique 2.39, 4.75 A)
&rst
ixpk= 387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 241, 242,
igr2= 301, 302, 303,
&end
#
# 18 ILE HA 18 ILE QD1 3.50 (# 388:25 Unique 2.13, 3.11 A)
&rst
ixpk= 388, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 301, 302, 303,
&end
#
# 75 TYR QD 18 ILE QD1 4.50 (# 389:25 Unique 2.90, 4.47 A)
&rst
ixpk= 389, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1236,1245,
igr2= 301, 302, 303,
&end
#
# 75 TYR QE 18 ILE QD1 5.50 (# 390:25 Unique 2.83, 4.61 A)
&rst
ixpk= 390, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1238,1243,
igr2= 301, 302, 303,
&end
#
# 18 ILE HN 18 ILE QD1 4.50 (# 391:25 Unique 3.32, 4.18 A)
&rst
ixpk= 391, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 301, 302, 303,
&end
#
# 19 LYS HN 18 ILE QD1 5.50 (# 392:25 Unique 3.66, 4.86 A)
&rst
ixpk= 392, nxpk= 25, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 301, 302, 303,
&end
#
# 0 AMB 25-3:395 18 ILE QG2 3.50 (# 395:25 Single Ambig)
&rst
ixpk= 395, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 298, 299, 298, 299,
igr2= 294, 295, 296,
&end
#
# 23 LEU QD2 18 ILE QG2 4.50 (# 396:25 Unique 3.56, 5.49 A)
&rst
ixpk= 396, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 394, 395, 396,
igr2= 294, 295, 296,
&end
#
# 0 AMB 25-3:397 18 ILE QG2 2.80 (# 397:25 Single Ambig)
&rst
ixpk= 397, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 292, 385, 386,
igr2= 294, 295, 296,
&end
#
# 23 LEU HB+ 18 ILE QG2 4.50 (# 398:25 Unique 2.31, 3.71 A)
&rst
ixpk= 398, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 385, 386,
igr2= 294, 295, 296,
&end
#
# 22 GLU HB- 18 ILE QG2 3.50 (# 399:25 Unique 2.27, 3.25 A)
&rst
ixpk= 399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 370, 371,
igr2= 294, 295, 296,
&end
#
# 22 GLU HG- 18 ILE QG2 5.50 (# 400:25 Unique 4.04, 5.45 A)
&rst
ixpk= 400, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 373, 374,
igr2= 294, 295, 296,
&end
#
# 18 ILE HA 18 ILE QG2 3.50 (# 401:25 Unique 2.57, 3.25 A)
&rst
ixpk= 401, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 294, 295, 296,
&end
#
# 23 LEU HA 18 ILE QG2 5.50 (# 402:25 Unique 2.98, 3.66 A)
&rst
ixpk= 402, nxpk= 25, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 294, 295, 296,
&end
#
# 0 AMB 25-3:403 18 ILE QG2 5.50 (# 403:25 Single Ambig)
&rst
ixpk= 403, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 309, 368,
igr2= 294, 295, 296,
&end
#
# 75 TYR QE 18 ILE QG2 4.50 (# 405:25 Unique 2.39, 4.95 A)
&rst
ixpk= 405, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1238,1243,
igr2= 294, 295, 296,
&end
#
# 23 LEU HN 18 ILE QG2 3.50 (# 406:25 Unique 2.58, 3.42 A)
&rst
ixpk= 406, nxpk= 25, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 294, 295, 296,
&end
#
# 0 AMB 25-3:408 18 ILE QG2 5.50 (# 408:25 Single Ambig)
&rst
ixpk= 408, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 329, 455,
igr2= 294, 295, 296,
&end
#
# 15 ASN HN 18 ILE QG2 5.50 (# 409:25 Unique 4.72, 6.13 A)
&rst
ixpk= 409, nxpk= 25, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 294, 295, 296,
&end
#
# 18 ILE HN 18 ILE QG2 5.50 (# 410:25 Unique 4.31, 4.54 A)
&rst
ixpk= 410, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 294, 295, 296,
&end
#
# 18 ILE QD1 18 ILE QG2 2.80 (# 411:25 Unique 2.25, 3.75 A)
&rst
ixpk= 411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 301, 302, 303,
igr2= 294, 295, 296,
&end
#
# 19 LYS HN 18 ILE QG2 4.50 (# 412:25 Unique 3.00, 3.72 A)
&rst
ixpk= 412, nxpk= 25, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 294, 295, 296,
&end
#
# 37 ILE HN 36 GLN HA 4.50 (# 413:25 Unique 2.01, 2.08 A)
&rst
ixpk= 413, nxpk= 25, iat= 616, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 GLN HG- 36 GLN HA 4.50 (# 414:25 Unique 2.31, 3.43 A)
&rst
ixpk= 414, nxpk= 25, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 606, 607,
&end
#
# 36 GLN HB- 36 GLN HA 3.50 (# 415:25 Unique 2.22, 2.74 A)
&rst
ixpk= 415, nxpk= 25, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 603, 604,
&end
#
# 36 GLN HG+ 36 GLN HA 4.50 (# 416:25 Unique 2.31, 3.43 A)
&rst
ixpk= 416, nxpk= 25, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 606, 607,
&end
#
# 36 GLN HB+ 36 GLN HA 5.50 (# 417:25 Unique 2.22, 2.74 A)
&rst
ixpk= 417, nxpk= 25, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 603, 604,
&end
#
# 37 ILE HB 36 GLN HA 5.50 (# 418:25 Unique 4.15, 4.31 A)
&rst
ixpk= 418, nxpk= 25, iat= 620, 601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:420 0 AMB 25-1:420 2.80 (# 420:25 Double Ambig)
&rst
ixpk= 420, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 429, 430, 429, 430, 314, 315, 432, 433, 432, 433,
432, 433,
igr2= 426, 427, 426, 427, 311, 312, 426, 427, 426, 427,
&end
#
# 0 AMB 25-3:422 0 AMB 25-1:422 3.50 (# 422:25 Double Ambig)
&rst
ixpk= 422, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 424, 309, 368,
igr2= 426, 427, 426, 427, 311, 312, 426, 427,
&end
#
# 22 GLU HN 19 LYS HB+ 4.50 (# 424:25 Unique 2.04, 3.24 A)
&rst
ixpk= 424, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 311, 312,
&end
#
# 0 AMB 25-3:425 0 AMB 25-1:425 5.50 (# 425:25 Double Ambig)
&rst
ixpk= 425, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 307, 444,
igr2= 311, 312, 426, 427, 426, 427,
&end
#
# 20 LYS HN 19 LYS HB+ 5.50 (# 426:25 Unique 2.12, 3.76 A)
&rst
ixpk= 426, nxpk= 25, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 311, 312,
&end
#
# 0 AMB 25-3:427 0 AMB 25-1:427 2.80 (# 427:25 Double Ambig)
&rst
ixpk= 427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 317, 318, 317, 318,
igr2= 314, 315, 314, 315,
&end
#
# 0 AMB 25-3:428 19 LYS HG- 2.80 (# 428:25 Single Ambig)
&rst
ixpk= 428, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 317, 318, 317, 318,
igr2= 314, 315,
&end
#
# 0 AMB 25-3:429 19 LYS HG- 3.50 (# 429:25 Single Ambig)
&rst
ixpk= 429, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 311, 312, 355, 356, 355, 356,
igr2= 314, 315,
&end
#
# 0 AMB 25-3:430 0 AMB 25-1:430 2.80 (# 430:25 Double Ambig)
&rst
ixpk= 430, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 426, 427, 426, 427, 311, 312, 355, 356, 355, 356,
igr2= 429, 430, 429, 430, 314, 315, 314, 315, 314, 315,
&end
#
# 0 AMB 25-3:431 19 LYS HG- 4.50 (# 431:25 Single Ambig)
&rst
ixpk= 431, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 320, 321, 320, 321,
igr2= 314, 315,
&end
#
# 0 AMB 25-3:432 0 AMB 25-1:432 5.50 (# 432:25 Double Ambig)
&rst
ixpk= 432, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 320, 321, 320, 321,
igr2= 314, 315, 314, 315,
&end
#
# 19 LYS HA 19 LYS HG- 4.50 (# 433:25 Unique 2.37, 2.84 A)
&rst
ixpk= 433, nxpk= 25, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 314, 315,
&end
#
# 0 AMB 25-3:434 0 AMB 25-1:434 4.50 (# 434:25 Double Ambig)
&rst
ixpk= 434, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 424, 309,
igr2= 429, 430, 314, 315,
&end
#
# 19 LYS HN 19 LYS HG- 5.50 (# 436:25 Unique 2.35, 4.22 A)
&rst
ixpk= 436, nxpk= 25, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 314, 315,
&end
#
# 0 AMB 25-3:437 0 AMB 25-1:437 5.50 (# 437:25 Double Ambig)
&rst
ixpk= 437, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 307, 444,
igr2= 314, 315, 429, 430,
&end
#
# 0 AMB 25-3:438 0 AMB 25-1:438 2.80 (# 438:25 Double Ambig)
&rst
ixpk= 438, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 311, 312, 311, 312, 355, 356, 355, 356,
igr2= 317, 318, 317, 318, 317, 318,
&end
#
# 0 AMB 25-3:439 0 AMB 25-1:439 2.80 (# 439:25 Double Ambig)
&rst
ixpk= 439, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 320, 321, 320, 321, 320, 321,
igr2= 317, 318, 317, 318, 317, 318,
&end
#
# 19 LYS HA 0 AMB 25-1:440 5.50 (# 440:25 Single Ambig)
&rst
ixpk= 440, nxpk= 25, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 317, 318, 317, 318,
&end
#
# 19 LYS HN 0 AMB 25-1:441 5.50 (# 441:25 Single Ambig)
&rst
ixpk= 441, nxpk= 25, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 25-3:446 0 AMB 25-1:446 2.80 (# 446:25 Double Ambig)
&rst
ixpk= 446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 317, 318, 317, 318, 317, 318,
igr2= 320, 321, 320, 321, 320, 321,
&end
#
# 98 PHE HN 99 LYS HE- 7.00 (# 451:25 Unique 5.96, 7.56 A)
&rst
ixpk= 451, nxpk= 25, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1622,1623,
&end
#
# 0 AMB 25-3:453 20 LYS HA 3.50 (# 453:25 Single Ambig)
&rst
ixpk= 453, nxpk= 25, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 336, 337, 388,
&end
#
# 0 AMB 25-3:454 20 LYS HA 4.50 (# 454:25 Single Ambig)
&rst
ixpk= 454, nxpk= 25, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 339, 340, 407, 408, 314, 315,
&end
#
# 0 AMB 25-3:455 20 LYS HA 3.50 (# 455:25 Single Ambig)
&rst
ixpk= 455, nxpk= 25, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 385, 386, 333, 334,
&end
#
# 20 LYS HB+ 20 LYS HA 4.50 (# 456:25 Unique 2.36, 2.79 A)
&rst
ixpk= 456, nxpk= 25, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 333, 334,
&end
#
# 0 AMB 25-3:457 20 LYS HA 5.50 (# 457:25 Single Ambig)
&rst
ixpk= 457, nxpk= 25, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 311, 312, 370, 371, 370, 371, 355, 356, 355, 356,
&end
#
# 0 AMB 25-3:458 20 LYS HA 5.50 (# 458:25 Single Ambig)
&rst
ixpk= 458, nxpk= 25, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 381, 400,
&end
#
# 0 AMB 25-3:459 0 AMB 25-1:459 4.50 (# 459:25 Double Ambig)
&rst
ixpk= 459, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 314, 315, 407, 408, 715, 716,
igr2= 333, 334, 333, 334, 333, 334,
&end
#
# 0 AMB 25-3:460 0 AMB 25-1:460 4.50 (# 460:25 Double Ambig)
&rst
ixpk= 460, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 336, 337, 737, 738,
igr2= 333, 334, 333, 334,
&end
#
# 0 AMB 25-3:461 20 LYS HB- 3.50 (# 461:25 Single Ambig)
&rst
ixpk= 461, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 336, 337, 314, 315,
igr2= 333, 334,
&end
#
# 20 LYS HA 20 LYS HB- 4.50 (# 462:25 Unique 2.36, 2.79 A)
&rst
ixpk= 462, nxpk= 25, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 333, 334,
&end
#
# 20 LYS HA 20 LYS HB+ 5.50 (# 464:25 Unique 2.36, 2.79 A)
&rst
ixpk= 464, nxpk= 25, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 333, 334,
&end
#
# 0 AMB 25-3:466 58 GLU HB- 4.50 (# 466:25 Single Ambig)
&rst
ixpk= 466, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1004,1005,1007,1008,1009,
igr2= 983, 984,
&end
#
# 23 LEU QD2 20 LYS HG+ 5.50 (# 468:25 Unique 6.72, 7.57 A)
&rst
ixpk= 468, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 394, 395, 396,
igr2= 336, 337,
&end
#
# 0 AMB 25-3:469 0 AMB 25-1:469 3.50 (# 469:25 Double Ambig)
&rst
ixpk= 469, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 333, 334, 404, 405,
igr2= 336, 337, 336, 337,
&end
#
# 0 AMB 25-3:470 0 AMB 25-1:470 3.50 (# 470:25 Double Ambig)
&rst
ixpk= 470, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 342, 343, 413, 414, 413, 414,
igr2= 336, 337, 336, 337, 336, 337,
&end
#
# 77 LYS HA 0 AMB 25-1:474 5.50 (# 474:25 Single Ambig)
&rst
ixpk= 474, nxpk= 25, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1268,1269,1268,1269,
&end
#
# 0 AMB 25-3:478 0 AMB 25-1:478 5.50 (# 478:25 Double Ambig)
&rst
ixpk= 478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 258, 259, 258, 259,
igr2= 276, 277, 276, 277,
&end
#
# 0 AMB 25-3:480 0 AMB 25-1:480 3.50 (# 480:25 Double Ambig)
&rst
ixpk= 480, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 687, 309, 268,
igr2= 339, 340, 339, 340, 339, 340, 276, 277, 276, 277,
&end
#
# 15 ASN HB- 0 AMB 25-1:483 5.50 (# 483:25 Single Ambig)
&rst
ixpk= 483, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 241, 242,
igr2= 276, 277, 276, 277,
&end
#
# 72 PHE HB- 74 PHE HB- 4.50 (# 485:25 Unique 3.41, 5.48 A)
&rst
ixpk= 485, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1178,1179,
igr2=1212,1213,
&end
#
# 0 AMB 25-3:486 0 AMB 25-1:486 2.80 (# 486:25 Double Ambig)
&rst
ixpk= 486, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 743, 744, 743, 744, 743, 744,
igr2= 320, 321, 320, 321, 320, 321,
&end
#
# 0 AMB 25-3:488 0 AMB 25-1:488 2.80 (# 488:25 Double Ambig)
&rst
ixpk= 488, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 317, 318, 317, 318, 317, 318,
igr2= 320, 321, 320, 321, 320, 321,
&end
#
# 100 GLU HB- 99 LYS HE- 4.50 (# 489:25 Unique 2.25, 5.67 A)
&rst
ixpk= 489, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1635,1636,
igr2=1622,1623,
&end
#
# 21 GLU HG+ 21 GLU HA 4.50 (# 490:25 Unique 1.99, 3.02 A)
&rst
ixpk= 490, nxpk= 25, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 358, 359,
&end
#
# 0 AMB 25-3:491 21 GLU HA 2.80 (# 491:25 Single Ambig)
&rst
ixpk= 491, nxpk= 25, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 355, 356, 355, 356,
&end
#
# 24 LYS HB- 21 GLU HA 4.50 (# 492:25 Unique 1.88, 3.28 A)
&rst
ixpk= 492, nxpk= 25, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 404, 405,
&end
#
# 21 GLU HN 21 GLU HA 5.50 (# 493:25 Unique 2.79, 2.83 A)
&rst
ixpk= 493, nxpk= 25, iat= 351, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU HN 21 GLU HA 5.50 (# 494:25 Unique 4.19, 4.64 A)
&rst
ixpk= 494, nxpk= 25, iat= 381, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:495 21 GLU HB- 2.80 (# 495:25 Single Ambig)
&rst
ixpk= 495, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 358, 359, 358, 359,
igr2= 355, 356,
&end
#
# 0 AMB 25-3:496 0 AMB 25-1:496 2.80 (# 496:25 Double Ambig)
&rst
ixpk= 496, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 358, 359, 358, 359,
igr2= 355, 356, 355, 356,
&end
#
# 0 AMB 25-3:497 0 AMB 25-1:497 2.80 (# 497:25 Double Ambig)
&rst
ixpk= 497, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 311, 312, 404, 405, 333, 334,
igr2= 370, 371, 355, 356, 355, 356, 355, 356,
&end
#
# 0 AMB 25-3:498 0 AMB 25-1:498 3.50 (# 498:25 Double Ambig)
&rst
ixpk= 498, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 404, 405, 333, 334,
igr2= 355, 356, 370, 371,
&end
#
# 21 GLU HA 21 GLU HB- 2.80 (# 499:25 Unique 2.14, 2.72 A)
&rst
ixpk= 499, nxpk= 25, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 355, 356,
&end
#
# 21 GLU HA 21 GLU HB+ 2.80 (# 500:25 Unique 2.14, 2.72 A)
&rst
ixpk= 500, nxpk= 25, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 355, 356,
&end
#
# 22 GLU HN 21 GLU HB+ 4.50 (# 501:25 Unique 2.44, 3.35 A)
&rst
ixpk= 501, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 355, 356,
&end
#
# 21 GLU HN 21 GLU HB+ 5.50 (# 503:25 Unique 2.11, 2.41 A)
&rst
ixpk= 503, nxpk= 25, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 355, 356,
&end
#
# 21 GLU HN 0 AMB 25-1:504 5.50 (# 504:25 Single Ambig)
&rst
ixpk= 504, nxpk= 25, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 355, 356, 355, 356,
&end
#
# 0 AMB 25-3:505 21 GLU HG- 2.80 (# 505:25 Single Ambig)
&rst
ixpk= 505, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 355, 356, 355, 356,
igr2= 358, 359,
&end
#
# 0 AMB 25-3:506 0 AMB 25-1:506 2.80 (# 506:25 Double Ambig)
&rst
ixpk= 506, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 355, 356, 355, 356,
igr2= 358, 359, 358, 359,
&end
#
# 22 GLU HG- 21 GLU HG- 4.50 (# 509:25 Unique 3.64, 4.99 A)
&rst
ixpk= 509, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 373, 374,
igr2= 358, 359,
&end
#
# 22 GLU HG- 21 GLU HG+ 3.50 (# 510:25 Unique 3.64, 4.99 A)
&rst
ixpk= 510, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 373, 374,
igr2= 358, 359,
&end
#
# 21 GLU HA 21 GLU HG- 3.50 (# 511:25 Unique 1.99, 3.02 A)
&rst
ixpk= 511, nxpk= 25, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 358, 359,
&end
#
# 0 AMB 25-3:512 0 AMB 25-1:512 3.50 (# 512:25 Double Ambig)
&rst
ixpk= 512, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 353, 850, 851, 253,
igr2= 358, 359, 258, 259, 258, 259,
&end
#
# 0 AMB 25-3:516 0 AMB 25-1:516 3.50 (# 516:25 Double Ambig)
&rst
ixpk= 516, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1035,1036,1037, 432, 433, 432, 433, 429, 430,
igr2= 102, 368,
&end
#
# 0 AMB 25-3:517 22 GLU HA 2.80 (# 517:25 Single Ambig)
&rst
ixpk= 517, nxpk= 25, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 370, 371, 370, 371, 426, 427, 426, 427,
&end
#
# 22 GLU HG- 22 GLU HA 4.50 (# 518:25 Unique 2.51, 2.89 A)
&rst
ixpk= 518, nxpk= 25, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 373, 374,
&end
#
# 0 AMB 25-3:519 22 GLU HA 3.50 (# 519:25 Single Ambig)
&rst
ixpk= 519, nxpk= 25, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 373, 374, 358, 359,
&end
#
# 22 GLU HN 22 GLU HA 4.50 (# 520:25 Unique 2.86, 2.87 A)
&rst
ixpk= 520, nxpk= 25, iat= 366, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 LEU HN 22 GLU HA 4.50 (# 521:25 Unique 3.56, 3.58 A)
&rst
ixpk= 521, nxpk= 25, iat= 381, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 LYS HN 22 GLU HA 4.50 (# 522:25 Unique 3.32, 3.54 A)
&rst
ixpk= 522, nxpk= 25, iat= 422, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 LYS HN 22 GLU HA 7.00 (# 523:25 Unique 6.89, 7.06 A)
&rst
ixpk= 523, nxpk= 25, iat= 329, 368, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 ILE QG2 22 GLU HB+ 5.50 (# 524:25 Unique 2.27, 3.25 A)
&rst
ixpk= 524, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 294, 295, 296,
igr2= 370, 371,
&end
#
# 18 ILE QG2 22 GLU HB- 5.50 (# 525:25 Unique 2.27, 3.25 A)
&rst
ixpk= 525, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 294, 295, 296,
igr2= 370, 371,
&end
#
# 0 AMB 25-3:526 0 AMB 25-1:526 4.50 (# 526:25 Double Ambig)
&rst
ixpk= 526, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 385, 386, 336, 337, 292, 429, 430,
igr2= 370, 371, 355, 356, 370, 371, 370, 371,
&end
#
# 0 AMB 25-3:527 0 AMB 25-1:527 4.50 (# 527:25 Double Ambig)
&rst
ixpk= 527, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.49, r4= 9.99,
igr1= 385, 386, 292,1271,1272,1335, 429, 430, 79, 80,
388,
igr2= 370, 371, 255, 256,1318,1319, 104, 105,
&end
#
# 0 AMB 25-3:528 0 AMB 25-1:528 2.80 (# 528:25 Double Ambig)
&rst
ixpk= 528, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 373, 374, 107, 108,
igr2= 370, 371, 104, 105,
&end
#
# 0 AMB 25-3:529 0 AMB 25-1:529 2.80 (# 529:25 Double Ambig)
&rst
ixpk= 529, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 358, 359, 373, 374, 107, 108,
igr2= 355, 356, 370, 371, 104, 105,
&end
#
# 0 AMB 25-3:530 0 AMB 25-1:530 2.80 (# 530:25 Double Ambig)
&rst
ixpk= 530, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 358, 359, 373, 374, 107, 108,
igr2= 355, 356, 370, 371, 104, 105,
&end
#
# 0 AMB 25-3:531 0 AMB 25-1:531 2.80 (# 531:25 Double Ambig)
&rst
ixpk= 531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 373, 374, 107, 108,
igr2= 370, 371, 104, 105,
&end
#
# 0 AMB 25-3:532 0 AMB 25-1:532 3.50 (# 532:25 Double Ambig)
&rst
ixpk= 532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94,
igr1= 314, 315, 831, 832,1035,1036,1037, 276, 277, 276,
277, 998, 314, 315,
igr2= 355, 356, 255, 256, 104, 105, 255, 256, 255, 256,
104, 105, 370, 371,
&end
#
# 0 AMB 25-3:533 0 AMB 25-1:533 4.50 (# 533:25 Double Ambig)
&rst
ixpk= 533, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 314, 315,1035,1036,1037, 998, 314, 315,
igr2= 355, 356, 104, 105, 370, 371,
&end
#
# 0 AMB 25-3:534 0 AMB 25-1:534 3.50 (# 534:25 Double Ambig)
&rst
ixpk= 534, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 102, 368,
igr2= 104, 105, 370, 371,
&end
#
# 0 AMB 25-3:535 0 AMB 25-1:535 4.50 (# 535:25 Double Ambig)
&rst
ixpk= 535, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 102, 368, 268,
igr2= 104, 105, 370, 371, 255, 256,
&end
#
# 22 GLU HN 22 GLU HB+ 3.50 (# 538:25 Unique 2.07, 2.97 A)
&rst
ixpk= 538, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 370, 371,
&end
#
# 22 GLU HN 0 AMB 25-1:539 4.50 (# 539:25 Single Ambig)
&rst
ixpk= 539, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 370, 371, 355, 356,
&end
#
# 0 AMB 25-3:540 0 AMB 25-1:540 5.50 (# 540:25 Double Ambig)
&rst
ixpk= 540, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 100, 381, 266,
igr2= 104, 105, 370, 371, 255, 256,
&end
#
# 0 AMB 25-3:541 0 AMB 25-1:541 4.50 (# 541:25 Double Ambig)
&rst
ixpk= 541, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 100, 381, 266,
igr2= 104, 105, 370, 371, 255, 256,
&end
#
# 8 THR HN 7 GLN HB+ 5.50 (# 542:25 Unique 2.78, 3.78 A)
&rst
ixpk= 542, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 104, 105,
&end
#
# 0 AMB 25-3:543 23 LEU HA 4.50 (# 543:25 Single Ambig)
&rst
ixpk= 543, nxpk= 25, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 381, 400,
&end
#
# 75 TYR QE 23 LEU HA 5.50 (# 545:25 Unique 3.35, 5.42 A)
&rst
ixpk= 545, nxpk= 25, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1238,1243,
&end
#
# 0 AMB 25-3:547 23 LEU HA 5.50 (# 547:25 Single Ambig)
&rst
ixpk= 547, nxpk= 25, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 457, 424, 309,
&end
#
# 23 LEU HB+ 23 LEU HA 3.50 (# 548:25 Unique 1.97, 2.70 A)
&rst
ixpk= 548, nxpk= 25, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 385, 386,
&end
#
# 23 LEU HB- 23 LEU HA 3.50 (# 549:25 Unique 1.97, 2.70 A)
&rst
ixpk= 549, nxpk= 25, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 385, 386,
&end
#
# 23 LEU QD1 23 LEU HA 4.50 (# 551:25 Unique 3.67, 4.36 A)
&rst
ixpk= 551, nxpk= 25, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 390, 391, 392,
&end
#
# 23 LEU QD2 23 LEU HA 4.50 (# 552:25 Unique 2.47, 3.17 A)
&rst
ixpk= 552, nxpk= 25, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 394, 395, 396,
&end
#
# 18 ILE QG2 23 LEU HA 4.50 (# 553:25 Unique 2.98, 3.66 A)
&rst
ixpk= 553, nxpk= 25, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 294, 295, 296,
&end
#
# 57 LYS HB+ 57 LYS HA 5.50 (# 554:25 Unique 2.35, 2.49 A)
&rst
ixpk= 554, nxpk= 25, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 961, 962,
&end
#
# 26 SER HA 23 LEU HA 5.50 (# 555:25 Unique 5.36, 5.56 A)
&rst
ixpk= 555, nxpk= 25, iat= 446, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU QD1 23 LEU HB+ 4.50 (# 556:25 Unique 2.37, 3.51 A)
&rst
ixpk= 556, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 390, 391, 392,
igr2= 385, 386,
&end
#
# 23 LEU QD1 23 LEU HB- 4.50 (# 557:25 Unique 2.37, 3.51 A)
&rst
ixpk= 557, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 390, 391, 392,
igr2= 385, 386,
&end
#
# 20 LYS HA 23 LEU HB+ 4.50 (# 558:25 Unique 2.28, 3.17 A)
&rst
ixpk= 558, nxpk= 25, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 385, 386,
&end
#
# 23 LEU HA 23 LEU HB+ 5.50 (# 559:25 Unique 1.97, 2.70 A)
&rst
ixpk= 559, nxpk= 25, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 385, 386,
&end
#
# 23 LEU HA 23 LEU HB- 4.50 (# 560:25 Unique 1.97, 2.70 A)
&rst
ixpk= 560, nxpk= 25, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 385, 386,
&end
#
# 20 LYS HA 23 LEU HB- 5.50 (# 561:25 Unique 2.28, 3.17 A)
&rst
ixpk= 561, nxpk= 25, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 385, 386,
&end
#
# 23 LEU HN 23 LEU HB- 4.50 (# 562:25 Unique 1.86, 2.40 A)
&rst
ixpk= 562, nxpk= 25, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 385, 386,
&end
#
# 23 LEU HN 23 LEU HB+ 4.50 (# 563:25 Unique 1.86, 2.40 A)
&rst
ixpk= 563, nxpk= 25, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 385, 386,
&end
#
# 0 AMB 25-3:564 23 LEU HB- 5.50 (# 564:25 Single Ambig)
&rst
ixpk= 564, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 370, 371, 370, 371, 462, 311, 312, 355, 356, 355,
356,
igr2= 385, 386,
&end
#
# 23 LEU QD2 23 LEU HB- 5.50 (# 565:25 Unique 2.35, 3.57 A)
&rst
ixpk= 565, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 394, 395, 396,
igr2= 385, 386,
&end
#
# 23 LEU QD2 23 LEU HB+ 5.50 (# 566:25 Unique 2.35, 3.57 A)
&rst
ixpk= 566, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 394, 395, 396,
igr2= 385, 386,
&end
#
# 23 LEU QD1 23 LEU HG 2.80 (# 567:25 Unique 2.05, 2.62 A)
&rst
ixpk= 567, nxpk= 25, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 390, 391, 392,
&end
#
# 23 LEU QD2 23 LEU HG 4.50 (# 568:25 Unique 2.26, 2.65 A)
&rst
ixpk= 568, nxpk= 25, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 394, 395, 396,
&end
#
# 0 AMB 25-3:569 23 LEU HG 5.50 (# 569:25 Single Ambig)
&rst
ixpk= 569, nxpk= 25, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 294, 295, 296, 184, 185, 186,
&end
#
# 23 LEU HB+ 23 LEU HG 4.50 (# 570:25 Unique 2.28, 2.40 A)
&rst
ixpk= 570, nxpk= 25, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 385, 386,
&end
#
# 23 LEU HA 23 LEU HG 5.50 (# 571:25 Unique 3.78, 3.89 A)
&rst
ixpk= 571, nxpk= 25, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU HN 23 LEU HG 5.50 (# 572:25 Unique 4.09, 4.43 A)
&rst
ixpk= 572, nxpk= 25, iat= 381, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ALA HN 23 LEU HG 5.50 (# 573:25 Unique 5.40, 5.57 A)
&rst
ixpk= 573, nxpk= 25, iat= 701, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:574 0 AMB 25-1:574 2.80 (# 574:25 Double Ambig)
&rst
ixpk= 574, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
igr2= 298, 299, 298, 299, 390, 391, 392,
&end
#
# 42 ALA QB 23 LEU QD1 3.50 (# 575:25 Unique 2.31, 3.58 A)
&rst
ixpk= 575, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 705, 706, 707,
igr2= 390, 391, 392,
&end
#
# 17 LYS HG- 18 ILE HG1+ 3.50 (# 576:25 Unique 2.77, 4.83 A)
&rst
ixpk= 576, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 273, 274,
igr2= 298, 299,
&end
#
# 0 AMB 25-3:577 0 AMB 25-1:577 2.80 (# 577:25 Double Ambig)
&rst
ixpk= 577, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 388, 292, 336, 337,
igr2= 390, 391, 392, 298, 299,
&end
#
# 0 AMB 25-3:578 23 LEU QD1 3.50 (# 578:25 Single Ambig)
&rst
ixpk= 578, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 385, 386, 333, 334, 410, 411,
igr2= 390, 391, 392,
&end
#
# 0 AMB 25-3:579 0 AMB 25-1:579 4.50 (# 579:25 Double Ambig)
&rst
ixpk= 579, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 462, 818, 819, 820,
igr2= 390, 391, 392, 720, 721, 722, 724, 725, 726,
&end
#
# 0 AMB 25-3:580 0 AMB 25-1:580 5.50 (# 580:25 Double Ambig)
&rst
ixpk= 580, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 290, 331,
igr2= 298, 299, 390, 391, 392,
&end
#
# 0 AMB 25-3:581 0 AMB 25-1:581 4.50 (# 581:25 Double Ambig)
&rst
ixpk= 581, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 383, 850, 851,
igr2= 390, 391, 392, 298, 299, 298, 299,
&end
#
# 18 ILE HN 18 ILE HG1+ 5.50 (# 583:25 Unique 2.04, 2.89 A)
&rst
ixpk= 583, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 298, 299,
&end
#
# 0 AMB 25-3:584 0 AMB 25-1:584 4.50 (# 584:25 Double Ambig)
&rst
ixpk= 584, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 400, 266,
igr2= 390, 391, 392, 298, 299,
&end
#
# 74 PHE QD 18 ILE HG1+ 5.50 (# 585:25 Unique 3.88, 7.53 A)
&rst
ixpk= 585, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1216,1224,
igr2= 298, 299,
&end
#
# 74 PHE QE 0 AMB 25-1:586 5.50 (# 586:25 Single Ambig)
&rst
ixpk= 586, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1218,1222,
igr2= 298, 299, 390, 391, 392,
&end
#
# 0 AMB 25-3:587 23 LEU QD2 4.50 (# 587:25 Single Ambig)
&rst
ixpk= 587, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 181, 182, 298, 299,
igr2= 394, 395, 396,
&end
#
# 0 AMB 25-3:588 23 LEU QD2 3.50 (# 588:25 Single Ambig)
&rst
ixpk= 588, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
igr2= 394, 395, 396,
&end
#
# 0 AMB 25-3:589 23 LEU QD2 4.50 (# 589:25 Single Ambig)
&rst
ixpk= 589, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 184, 185, 186, 294, 295, 296,
igr2= 394, 395, 396,
&end
#
# 0 AMB 25-3:591 23 LEU QD2 3.50 (# 591:25 Single Ambig)
&rst
ixpk= 591, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 705, 706, 707, 222, 223,
igr2= 394, 395, 396,
&end
#
# 0 AMB 25-3:592 23 LEU QD2 4.50 (# 592:25 Single Ambig)
&rst
ixpk= 592, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 459, 460, 222, 223,
igr2= 394, 395, 396,
&end
#
# 0 AMB 25-3:593 0 AMB 25-1:593 2.80 (# 593:25 Double Ambig)
&rst
ixpk= 593, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 388, 792, 793, 795, 796, 795, 796,
igr2= 394, 395, 396, 775, 776, 777,
&end
#
# 0 AMB 25-3:594 46 LEU QD1 2.80 (# 594:25 Single Ambig)
&rst
ixpk= 594, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 770, 771, 773,
igr2= 775, 776, 777,
&end
#
# 23 LEU HA 23 LEU QD2 3.50 (# 595:25 Unique 2.47, 3.17 A)
&rst
ixpk= 595, nxpk= 25, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 394, 395, 396,
&end
#
# 0 AMB 25-3:596 23 LEU QD2 5.50 (# 596:25 Single Ambig)
&rst
ixpk= 596, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 402, 331,
igr2= 394, 395, 396,
&end
#
# 0 AMB 25-3:597 46 LEU QD1 4.50 (# 597:25 Single Ambig)
&rst
ixpk= 597, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 768, 787,
igr2= 775, 776, 777,
&end
#
# 74 PHE QE 23 LEU QD2 3.50 (# 599:25 Unique 2.33, 4.66 A)
&rst
ixpk= 599, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1218,1222,
igr2= 394, 395, 396,
&end
#
# 23 LEU HN 23 LEU QD2 5.50 (# 601:25 Unique 4.65, 5.19 A)
&rst
ixpk= 601, nxpk= 25, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 394, 395, 396,
&end
#
# 27 LEU HN 23 LEU QD2 5.50 (# 602:25 Unique 3.33, 4.85 A)
&rst
ixpk= 602, nxpk= 25, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 394, 395, 396,
&end
#
# 0 AMB 25-3:604 0 AMB 25-1:604 5.50 (# 604:25 Double Ambig)
&rst
ixpk= 604, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 462, 255, 256,
igr2= 394, 395, 396, 775, 776, 777,
&end
#
# 0 AMB 25-3:605 24 LYS HA 4.50 (# 605:25 Single Ambig)
&rst
ixpk= 605, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 679, 680, 681, 672, 673, 674,
&end
#
# 27 LEU HB- 24 LYS HA 5.50 (# 606:25 Unique 2.59, 3.64 A)
&rst
ixpk= 606, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 459, 460,
&end
#
# 24 LYS HG- 24 LYS HA 4.50 (# 607:25 Unique 2.31, 2.77 A)
&rst
ixpk= 607, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 407, 408,
&end
#
# 24 LYS HG+ 24 LYS HA 4.50 (# 608:25 Unique 2.31, 2.77 A)
&rst
ixpk= 608, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 407, 408,
&end
#
# 0 AMB 25-3:609 24 LYS HA 3.50 (# 609:25 Single Ambig)
&rst
ixpk= 609, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 404, 405, 404, 405,
&end
#
# 0 AMB 25-3:610 24 LYS HA 5.50 (# 610:25 Single Ambig)
&rst
ixpk= 610, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 410, 411, 410, 411, 385, 386, 626, 627,
&end
#
# 27 LEU HB+ 24 LYS HA 5.50 (# 611:25 Unique 2.59, 3.64 A)
&rst
ixpk= 611, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 459, 460,
&end
#
# 25 LYS HN 24 LYS HA 5.50 (# 612:25 Unique 3.58, 3.64 A)
&rst
ixpk= 612, nxpk= 25, iat= 422, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HN 24 LYS HA 4.50 (# 613:25 Unique 2.71, 2.82 A)
&rst
ixpk= 613, nxpk= 25, iat= 400, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 LEU HN 24 LYS HA 5.50 (# 614:25 Unique 3.57, 3.69 A)
&rst
ixpk= 614, nxpk= 25, iat= 455, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HA 24 LYS HB+ 4.50 (# 615:25 Unique 2.45, 2.81 A)
&rst
ixpk= 615, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 404, 405,
&end
#
# 0 AMB 25-3:617 0 AMB 25-1:617 5.50 (# 617:25 Double Ambig)
&rst
ixpk= 617, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
igr1= 424, 368, 768, 687,
igr2= 404, 405, 404, 405, 811, 812, 811, 812, 404, 405,
&end
#
# 0 AMB 25-3:618 0 AMB 25-1:618 4.50 (# 618:25 Double Ambig)
&rst
ixpk= 618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 787, 268,
igr2= 789, 790, 270, 271,
&end
#
# 0 AMB 25-3:619 0 AMB 25-1:619 4.50 (# 619:25 Double Ambig)
&rst
ixpk= 619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 867, 868, 422,
igr2= 789, 790, 404, 405,
&end
#
# 25 LYS HN 24 LYS HB+ 4.50 (# 620:25 Unique 2.43, 3.08 A)
&rst
ixpk= 620, nxpk= 25, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 404, 405,
&end
#
# 0 AMB 25-3:621 0 AMB 25-1:621 4.50 (# 621:25 Double Ambig)
&rst
ixpk= 621, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 266, 400,
igr2= 270, 271, 404, 405,
&end
#
# 24 LYS HN 24 LYS HB+ 4.50 (# 622:25 Unique 2.32, 2.71 A)
&rst
ixpk= 622, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 404, 405,
&end
#
# 0 AMB 25-3:623 24 LYS HG- 3.50 (# 623:25 Single Ambig)
&rst
ixpk= 623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 410, 411, 410, 411,
igr2= 407, 408,
&end
#
# 0 AMB 25-3:625 0 AMB 25-1:625 5.50 (# 625:25 Double Ambig)
&rst
ixpk= 625, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 413, 414, 413, 414,
igr2= 407, 408, 407, 408,
&end
#
# 0 AMB 25-3:627 24 LYS HG- 5.50 (# 627:25 Single Ambig)
&rst
ixpk= 627, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 402, 331,
igr2= 407, 408,
&end
#
# 0 AMB 25-3:628 24 LYS HG- 4.50 (# 628:25 Single Ambig)
&rst
ixpk= 628, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 672, 673, 674, 679, 680, 681,
igr2= 407, 408,
&end
#
# 0 AMB 25-3:629 0 AMB 25-1:629 2.80 (# 629:25 Double Ambig)
&rst
ixpk= 629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 320, 321, 320, 321, 320, 321,
igr2= 317, 318, 317, 318, 317, 318,
&end
#
# 21 GLU HB- 0 AMB 25-1:630 3.50 (# 630:25 Single Ambig)
&rst
ixpk= 630, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 355, 356,
igr2= 317, 318, 317, 318,
&end
#
# 24 LYS HG- 0 AMB 25-1:631 3.50 (# 631:25 Single Ambig)
&rst
ixpk= 631, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 407, 408,
igr2= 410, 411, 410, 411,
&end
#
# 42 ALA HN 0 AMB 25-1:633 5.50 (# 633:25 Single Ambig)
&rst
ixpk= 633, nxpk= 25, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 410, 411, 410, 411,
&end
#
# 24 LYS HN 0 AMB 25-1:634 5.50 (# 634:25 Single Ambig)
&rst
ixpk= 634, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 410, 411, 410, 411,
&end
#
# 21 GLU HA 0 AMB 25-1:636 5.50 (# 636:25 Single Ambig)
&rst
ixpk= 636, nxpk= 25, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 410, 411, 410, 411,
&end
#
# 21 GLU HA 0 AMB 25-1:637 5.50 (# 637:25 Single Ambig)
&rst
ixpk= 637, nxpk= 25, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 413, 414, 413, 414,
&end
#
# 0 AMB 25-3:639 0 AMB 25-1:639 4.50 (# 639:25 Double Ambig)
&rst
ixpk= 639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 941, 942, 941, 942,
igr2= 970, 971, 970, 971,
&end
#
# 0 AMB 25-3:641 0 AMB 25-1:641 5.50 (# 641:25 Double Ambig)
&rst
ixpk= 641, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 679, 680, 681, 672, 673, 674,
igr2= 413, 414, 413, 414, 413, 414,
&end
#
# 24 LYS HG- 0 AMB 25-1:642 4.50 (# 642:25 Single Ambig)
&rst
ixpk= 642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 407, 408,
igr2= 413, 414, 413, 414,
&end
#
# 25 LYS HN 25 LYS HA 4.50 (# 643:25 Unique 2.75, 2.81 A)
&rst
ixpk= 643, nxpk= 25, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 LYS HG- 0 AMB 25-1:644 4.50 (# 644:25 Single Ambig)
&rst
ixpk= 644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 429, 430,
igr2= 426, 427, 426, 427,
&end
#
# 0 AMB 25-3:645 0 AMB 25-1:645 5.50 (# 645:25 Double Ambig)
&rst
ixpk= 645, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 381, 400, 524,
igr2= 311, 312, 426, 427, 426, 427,1140,1141, 426, 427,
311, 312,
&end
#
# 0 AMB 25-3:646 0 AMB 25-1:646 3.50 (# 646:25 Double Ambig)
&rst
ixpk= 646, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 422, 532, 540,
igr2= 426, 427, 426, 427,1140,1141,
&end
#
# 0 AMB 25-3:647 0 AMB 25-1:647 3.50 (# 647:25 Double Ambig)
&rst
ixpk= 647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 424, 309, 368,
igr2= 426, 427, 426, 427, 311, 312, 426, 427,
&end
#
# 0 AMB 25-3:648 0 AMB 25-1:648 2.80 (# 648:25 Double Ambig)
&rst
ixpk= 648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 426, 427, 426, 427, 311, 312, 355, 356, 355, 356,
igr2= 429, 430, 429, 430, 314, 315, 314, 315, 314, 315,
&end
#
# 0 AMB 25-3:649 25 LYS HG- 2.80 (# 649:25 Single Ambig)
&rst
ixpk= 649, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 426, 427, 426, 427,
igr2= 429, 430,
&end
#
# 0 AMB 25-3:650 25 LYS HG- 4.50 (# 650:25 Single Ambig)
&rst
ixpk= 650, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 435, 436, 435, 436,
igr2= 429, 430,
&end
#
# 0 AMB 25-3:651 0 AMB 25-1:651 5.50 (# 651:25 Double Ambig)
&rst
ixpk= 651, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1= 435, 436, 435, 436, 743, 744, 743, 744,
igr2= 429, 430, 429, 430, 314, 315, 314, 315,
&end
#
# 0 AMB 25-3:652 0 AMB 25-1:652 4.50 (# 652:25 Double Ambig)
&rst
ixpk= 652, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 424, 309,
igr2= 429, 430, 314, 315,
&end
#
# 0 AMB 25-3:653 25 LYS HG- 4.50 (# 653:25 Single Ambig)
&rst
ixpk= 653, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 424, 368,
igr2= 429, 430,
&end
#
# 25 LYS HN 25 LYS HG+ 5.50 (# 654:25 Unique 2.45, 4.06 A)
&rst
ixpk= 654, nxpk= 25, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 429, 430,
&end
#
# 25 LYS HN 25 LYS HG- 5.50 (# 655:25 Unique 2.45, 4.06 A)
&rst
ixpk= 655, nxpk= 25, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 429, 430,
&end
#
# 0 AMB 25-3:659 25 LYS HD- 2.80 (# 659:25 Single Ambig)
&rst
ixpk= 659, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 435, 436, 435, 436,
igr2= 432, 433,
&end
#
# 0 AMB 25-3:661 0 AMB 25-1:661 3.50 (# 661:25 Double Ambig)
&rst
ixpk= 661, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 961, 962, 961, 962, 603, 604, 426, 427,
igr2= 967, 968, 967, 968, 967, 968, 432, 433,
&end
#
# 25 LYS HB+ 25 LYS HD- 2.80 (# 662:25 Unique 2.38, 3.17 A)
&rst
ixpk= 662, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 426, 427,
igr2= 432, 433,
&end
#
# 0 AMB 25-3:664 0 AMB 25-1:664 2.80 (# 664:25 Double Ambig)
&rst
ixpk= 664, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 737, 738, 429, 430,
igr2= 740, 741, 740, 741, 432, 433,
&end
#
# 0 AMB 25-3:665 0 AMB 25-1:665 4.50 (# 665:25 Double Ambig)
&rst
ixpk= 665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 732, 446,
igr2= 740, 741, 740, 741, 432, 433,
&end
#
# 0 AMB 25-3:666 0 AMB 25-1:666 4.50 (# 666:25 Double Ambig)
&rst
ixpk= 666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 424, 309,
igr2= 432, 433, 740, 741, 740, 741,
&end
#
# 0 AMB 25-3:669 0 AMB 25-1:669 4.50 (# 669:25 Double Ambig)
&rst
ixpk= 669, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
igr1= 478, 479, 478, 479, 941, 942, 941, 942, 478, 479,
478, 479,
igr2= 435, 436, 435, 436, 970, 971, 970, 971, 413, 414,
413, 414,
&end
#
# 15 ASN HB- 0 AMB 25-1:670 3.50 (# 670:25 Single Ambig)
&rst
ixpk= 670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 241, 242,
igr2= 279, 280, 279, 280,
&end
#
# 0 AMB 25-3:673 26 SER HA 4.50 (# 673:25 Single Ambig)
&rst
ixpk= 673, nxpk= 25, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 448, 449, 448, 449,
&end
#
# 24 LYS HA 26 SER HA 7.00 (# 674:25 Unique 6.65, 6.74 A)
&rst
ixpk= 674, nxpk= 25, iat= 402, 446, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 75 TYR QE 26 SER HA 5.50 (# 675:25 Unique 4.84, 6.41 A)
&rst
ixpk= 675, nxpk= 25, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1238,1243,
&end
#
# 26 SER HN 26 SER HA 5.50 (# 677:25 Unique 2.81, 2.84 A)
&rst
ixpk= 677, nxpk= 25, iat= 444, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:679 26 SER HA 5.50 (# 679:25 Single Ambig)
&rst
ixpk= 679, nxpk= 25, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 435, 436, 435, 436,
&end
#
# 27 LEU HB+ 26 SER HA 5.50 (# 680:25 Unique 5.67, 6.18 A)
&rst
ixpk= 680, nxpk= 25, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 459, 460,
&end
#
# 0 AMB 25-3:681 26 SER HA 4.50 (# 681:25 Single Ambig)
&rst
ixpk= 681, nxpk= 25, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 499, 500, 501, 432, 433, 429, 430,
&end
#
# 0 AMB 25-3:682 26 SER HA 5.50 (# 682:25 Single Ambig)
&rst
ixpk= 682, nxpk= 25, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 426, 427, 462, 370, 371,
&end
#
# 26 SER HA 0 AMB 25-1:684 3.50 (# 684:25 Single Ambig)
&rst
ixpk= 684, nxpk= 25, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 448, 449, 448, 449,
&end
#
# 74 PHE QE 0 AMB 25-1:688 4.50 (# 688:25 Single Ambig)
&rst
ixpk= 688, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1218,1222,
igr2= 448, 449, 448, 449,
&end
#
# 22 GLU HN 0 AMB 25-1:689 7.00 (# 689:25 Single Ambig)
&rst
ixpk= 689, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 448, 449, 448, 449,
&end
#
# 27 LEU HN 27 LEU HA 5.50 (# 693:25 Unique 2.84, 2.87 A)
&rst
ixpk= 693, nxpk= 25, iat= 455, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 PHE QE 27 LEU HA 5.50 (# 694:25 Unique 2.41, 4.53 A)
&rst
ixpk= 694, nxpk= 25, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1218,1222,
&end
#
# 27 LEU HB+ 27 LEU HA 3.50 (# 695:25 Unique 2.56, 2.83 A)
&rst
ixpk= 695, nxpk= 25, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 459, 460,
&end
#
# 0 AMB 25-3:696 0 AMB 25-1:696 3.50 (# 696:25 Double Ambig)
&rst
ixpk= 696, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 104, 105, 370, 371, 426, 427, 426, 427, 462,
igr2= 102, 368, 457,
&end
#
# 27 LEU HB- 27 LEU HA 5.50 (# 698:25 Unique 2.56, 2.83 A)
&rst
ixpk= 698, nxpk= 25, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 459, 460,
&end
#
# 23 LEU QD1 27 LEU HA 7.00 (# 699:25 Unique 5.32, 6.95 A)
&rst
ixpk= 699, nxpk= 25, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 390, 391, 392,
&end
#
# 27 LEU QD2 27 LEU HA 3.50 (# 700:25 Unique 1.98, 2.96 A)
&rst
ixpk= 700, nxpk= 25, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 468, 469, 470,
&end
#
# 0 AMB 25-3:701 0 AMB 25-1:701 5.50 (# 701:25 Double Ambig)
&rst
ixpk= 701, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 994, 444,1013,
igr2= 102, 457,
&end
#
# 0 AMB 25-3:702 0 AMB 25-1:702 4.50 (# 702:25 Double Ambig)
&rst
ixpk= 702, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 468, 469, 470, 464, 465, 466,
igr2= 459, 460, 459, 460,
&end
#
# 0 AMB 25-3:703 27 LEU HB- 4.50 (# 703:25 Single Ambig)
&rst
ixpk= 703, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 468, 469, 470, 464, 465, 466,
igr2= 459, 460,
&end
#
# 0 AMB 25-3:704 0 AMB 25-1:704 4.50 (# 704:25 Double Ambig)
&rst
ixpk= 704, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 402, 476,
igr2= 459, 460, 459, 460,
&end
#
# 27 LEU HN 27 LEU HB+ 5.50 (# 705:25 Unique 2.22, 2.94 A)
&rst
ixpk= 705, nxpk= 25, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 459, 460,
&end
#
# 27 LEU HN 27 LEU HB- 5.50 (# 706:25 Unique 2.22, 2.94 A)
&rst
ixpk= 706, nxpk= 25, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 459, 460,
&end
#
# 0 AMB 25-3:707 27 LEU HG 3.50 (# 707:25 Single Ambig)
&rst
ixpk= 707, nxpk= 25, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 468, 469, 470, 464, 465, 466,
&end
#
# 74 PHE QE 27 LEU HG 5.50 (# 708:25 Unique 2.89, 4.12 A)
&rst
ixpk= 708, nxpk= 25, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1218,1222,
&end
#
# 54 VAL QG- 27 LEU QD1 5.50 (# 709:25 Unique 2.19, 4.36 A)
&rst
ixpk= 709, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 908, 909, 910, 912, 913, 914,
igr2= 464, 465, 466,
&end
#
# 0 AMB 25-3:710 27 LEU QD1 3.50 (# 710:25 Single Ambig)
&rst
ixpk= 710, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 672, 673, 674, 679, 680, 681,
igr2= 464, 465, 466,
&end
#
# 23 LEU QD1 27 LEU QD1 4.50 (# 711:25 Unique 2.10, 3.67 A)
&rst
ixpk= 711, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 390, 391, 392,
igr2= 464, 465, 466,
&end
#
# 52 ALA QB 27 LEU QD1 3.50 (# 712:25 Unique 3.09, 4.73 A)
&rst
ixpk= 712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 876, 877, 878,
igr2= 464, 465, 466,
&end
#
# 0 AMB 25-3:713 27 LEU QD1 5.50 (# 713:25 Single Ambig)
&rst
ixpk= 713, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 676, 677, 676, 677,
igr2= 464, 465, 466,
&end
#
# 27 LEU HG 27 LEU QD1 4.50 (# 714:25 Unique 2.38, 2.66 A)
&rst
ixpk= 714, nxpk= 25, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 464, 465, 466,
&end
#
# 27 LEU HB+ 27 LEU QD1 5.50 (# 715:25 Unique 2.28, 3.07 A)
&rst
ixpk= 715, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 459, 460,
igr2= 464, 465, 466,
&end
#
# 24 LYS HA 27 LEU QD1 5.50 (# 716:25 Unique 2.91, 4.22 A)
&rst
ixpk= 716, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 464, 465, 466,
&end
#
# 0 AMB 25-3:717 27 LEU QD1 5.50 (# 717:25 Single Ambig)
&rst
ixpk= 717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 457, 687,
igr2= 464, 465, 466,
&end
#
# 74 PHE QE 27 LEU QD1 5.50 (# 718:25 Unique 4.08, 6.25 A)
&rst
ixpk= 718, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1218,1222,
igr2= 464, 465, 466,
&end
#
# 0 AMB 25-3:719 27 LEU QD1 5.50 (# 719:25 Single Ambig)
&rst
ixpk= 719, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 455, 171,
igr2= 464, 465, 466,
&end
#
# 0 AMB 25-3:720 27 LEU QD1 5.50 (# 720:25 Single Ambig)
&rst
ixpk= 720, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 532, 540, 422,
igr2= 464, 465, 466,
&end
#
# 54 VAL QG- 27 LEU QD2 4.50 (# 722:25 Unique 2.37, 4.62 A)
&rst
ixpk= 722, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 908, 909, 910, 912, 913, 914,
igr2= 468, 469, 470,
&end
#
# 0 AMB 25-3:723 27 LEU QD2 4.50 (# 723:25 Single Ambig)
&rst
ixpk= 723, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 177, 178, 179, 390, 391, 392,
igr2= 468, 469, 470,
&end
#
# 0 AMB 25-3:724 27 LEU QD2 4.50 (# 724:25 Single Ambig)
&rst
ixpk= 724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 876, 877, 878, 225,
igr2= 468, 469, 470,
&end
#
# 27 LEU HB- 27 LEU QD2 3.50 (# 725:25 Unique 2.23, 3.55 A)
&rst
ixpk= 725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 459, 460,
igr2= 468, 469, 470,
&end
#
# 0 AMB 25-3:726 27 LEU QD2 5.50 (# 726:25 Single Ambig)
&rst
ixpk= 726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1144,1145,1146, 626, 627,
igr2= 468, 469, 470,
&end
#
# 0 AMB 25-3:727 27 LEU QD2 4.50 (# 727:25 Single Ambig)
&rst
ixpk= 727, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 462,1308,1309,1310,
igr2= 468, 469, 470,
&end
#
# 27 LEU HB+ 27 LEU QD2 5.50 (# 728:25 Unique 2.23, 3.55 A)
&rst
ixpk= 728, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 459, 460,
igr2= 468, 469, 470,
&end
#
# 27 LEU HA 27 LEU QD2 3.50 (# 729:25 Unique 1.98, 2.96 A)
&rst
ixpk= 729, nxpk= 25, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 468, 469, 470,
&end
#
# 31 PHE QE 27 LEU QD2 3.50 (# 730:25 Unique 2.45, 4.46 A)
&rst
ixpk= 730, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 534, 538,
igr2= 468, 469, 470,
&end
#
# 74 PHE QE 27 LEU QD2 3.50 (# 731:25 Unique 2.53, 4.87 A)
&rst
ixpk= 731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1218,1222,
igr2= 468, 469, 470,
&end
#
# 31 PHE QD 27 LEU QD2 4.50 (# 732:25 Unique 2.46, 4.01 A)
&rst
ixpk= 732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 532, 540,
igr2= 468, 469, 470,
&end
#
# 27 LEU HN 27 LEU QD2 5.50 (# 733:25 Unique 3.84, 4.64 A)
&rst
ixpk= 733, nxpk= 25, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 468, 469, 470,
&end
#
# 0 AMB 25-3:734 27 LEU QD2 3.50 (# 734:25 Single Ambig)
&rst
ixpk= 734, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 672, 673, 674, 679, 680, 681,
igr2= 468, 469, 470,
&end
#
# 37 ILE QD1 28 TYR HA 5.50 (# 736:25 Unique 2.19, 3.97 A)
&rst
ixpk= 736, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 629, 630, 631,
&end
#
# 28 TYR HB- 28 TYR HA 3.50 (# 739:25 Unique 2.43, 2.79 A)
&rst
ixpk= 739, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 478, 479,
&end
#
# 28 TYR QD 28 TYR HA 5.50 (# 741:25 Unique 2.15, 3.46 A)
&rst
ixpk= 741, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 482, 491,
&end
#
# 28 TYR HN 28 TYR HA 5.50 (# 742:25 Unique 2.76, 2.83 A)
&rst
ixpk= 742, nxpk= 25, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HN 28 TYR HA 5.50 (# 744:25 Unique 3.38, 3.56 A)
&rst
ixpk= 744, nxpk= 25, iat= 495, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE QD1 28 TYR HB- 4.50 (# 745:25 Unique 2.46, 5.07 A)
&rst
ixpk= 745, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 679, 680, 681,
igr2= 478, 479,
&end
#
# 40 ILE QD1 28 TYR HB+ 5.50 (# 746:25 Unique 2.46, 5.07 A)
&rst
ixpk= 746, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 679, 680, 681,
igr2= 478, 479,
&end
#
# 0 AMB 25-3:747 28 TYR HB- 4.50 (# 747:25 Single Ambig)
&rst
ixpk= 747, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 476, 548, 549,
igr2= 478, 479,
&end
#
# 0 AMB 25-3:748 0 AMB 25-1:748 4.50 (# 748:25 Double Ambig)
&rst
ixpk= 748, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 476, 548, 549,
igr2= 478, 479, 478, 479,
&end
#
# 25 LYS HA 28 TYR HB- 4.50 (# 749:25 Unique 2.68, 3.58 A)
&rst
ixpk= 749, nxpk= 25, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 478, 479,
&end
#
# 25 LYS HA 28 TYR HB+ 4.50 (# 750:25 Unique 2.68, 3.58 A)
&rst
ixpk= 750, nxpk= 25, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 478, 479,
&end
#
# 28 TYR QD 28 TYR HB- 4.50 (# 751:25 Unique 2.28, 3.08 A)
&rst
ixpk= 751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 482, 491,
igr2= 478, 479,
&end
#
# 28 TYR QD 28 TYR HB+ 4.50 (# 752:25 Unique 2.28, 3.08 A)
&rst
ixpk= 752, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 482, 491,
igr2= 478, 479,
&end
#
# 29 ALA HN 28 TYR HB- 5.50 (# 753:25 Unique 2.66, 3.37 A)
&rst
ixpk= 753, nxpk= 25, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 478, 479,
&end
#
# 29 ALA HN 28 TYR HB+ 5.50 (# 754:25 Unique 2.66, 3.37 A)
&rst
ixpk= 754, nxpk= 25, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 478, 479,
&end
#
# 28 TYR HN 28 TYR HB+ 5.50 (# 755:25 Unique 1.94, 2.73 A)
&rst
ixpk= 755, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 478, 479,
&end
#
# 28 TYR HN 28 TYR HB- 4.50 (# 756:25 Unique 1.94, 2.73 A)
&rst
ixpk= 756, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 478, 479,
&end
#
# 0 AMB 25-3:757 0 AMB 25-1:757 4.50 (# 757:25 Double Ambig)
&rst
ixpk= 757, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 499, 500, 501,1035,1036,1037,
igr2= 497,1033,
&end
#
# 65 ALA QB 62 ALA HA 4.50 (# 758:25 Unique 2.55, 3.73 A)
&rst
ixpk= 758, nxpk= 25, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1070,1071,1072,
&end
#
# 0 AMB 25-3:759 0 AMB 25-1:759 5.50 (# 759:25 Double Ambig)
&rst
ixpk= 759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 144, 145, 146, 511, 512, 513,
igr2=1033, 497,
&end
#
# 0 AMB 25-3:760 0 AMB 25-1:760 4.50 (# 760:25 Double Ambig)
&rst
ixpk= 760, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 567, 568, 947, 951, 482, 491,
igr2= 497,1033,
&end
#
# 31 PHE HA 31 PHE HB- 5.50 (# 761:25 Unique 2.35, 2.82 A)
&rst
ixpk= 761, nxpk= 25, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 528, 529,
&end
#
# 37 ILE QD1 31 PHE HB- 5.50 (# 762:25 Unique 2.15, 3.41 A)
&rst
ixpk= 762, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 629, 630, 631,
igr2= 528, 529,
&end
#
# 37 ILE QD1 31 PHE HB+ 5.50 (# 763:25 Unique 2.15, 3.41 A)
&rst
ixpk= 763, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 629, 630, 631,
igr2= 528, 529,
&end
#
# 56 PHE QE 31 PHE HB- 5.50 (# 764:25 Unique 2.24, 4.96 A)
&rst
ixpk= 764, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 947, 951,
igr2= 528, 529,
&end
#
# 56 PHE QE 31 PHE HB+ 5.50 (# 765:25 Unique 2.24, 4.96 A)
&rst
ixpk= 765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 947, 951,
igr2= 528, 529,
&end
#
# 31 PHE QD 31 PHE HB- 5.50 (# 766:25 Unique 2.29, 3.09 A)
&rst
ixpk= 766, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 532, 540,
igr2= 528, 529,
&end
#
# 31 PHE QD 31 PHE HB+ 5.50 (# 767:25 Unique 2.29, 3.09 A)
&rst
ixpk= 767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 532, 540,
igr2= 528, 529,
&end
#
# 81 ILE QD1 70 GLN HA 3.50 (# 768:25 Unique 2.31, 3.51 A)
&rst
ixpk= 768, nxpk= 25, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1344,1345,1346,
&end
#
# 0 AMB 25-3:769 33 GLN HA 2.80 (# 769:25 Single Ambig)
&rst
ixpk= 769, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 559, 560, 559, 560,
&end
#
# 70 GLN HB- 70 GLN HA 4.50 (# 770:25 Unique 2.13, 2.68 A)
&rst
ixpk= 770, nxpk= 25, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1154,1155,
&end
#
# 33 GLN HN 33 GLN HA 4.50 (# 771:25 Unique 2.77, 2.89 A)
&rst
ixpk= 771, nxpk= 25, iat= 555, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 GLN HG+ 33 GLN HA 7.00 (# 772:25 Unique 2.32, 3.09 A)
&rst
ixpk= 772, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 562, 563,
&end
#
# 0 AMB 25-3:777 0 AMB 25-1:777 3.50 (# 777:25 Double Ambig)
&rst
ixpk= 777, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 557,1152, 507,
igr2= 559, 560,1341,1342,1341,1342,
&end
#
# 0 AMB 25-3:779 0 AMB 25-1:779 3.50 (# 779:25 Double Ambig)
&rst
ixpk= 779, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 792, 793, 407, 408, 273, 274,
igr2= 789, 790, 404, 405, 270, 271,
&end
#
# 0 AMB 25-3:781 0 AMB 25-1:781 4.50 (# 781:25 Double Ambig)
&rst
ixpk= 781, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 290, 331,
igr2= 311, 312, 270, 271,
&end
#
# 0 AMB 25-3:782 0 AMB 25-1:782 3.50 (# 782:25 Double Ambig)
&rst
ixpk= 782, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 787, 268,
igr2= 789, 790, 270, 271,
&end
#
# 34 PHE HB- 34 PHE HA 4.50 (# 788:25 Unique 2.42, 2.74 A)
&rst
ixpk= 788, nxpk= 25, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 576, 577,
&end
#
# 34 PHE HB+ 34 PHE HA 4.50 (# 789:25 Unique 2.42, 2.74 A)
&rst
ixpk= 789, nxpk= 25, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 576, 577,
&end
#
# 0 AMB 25-3:791 34 PHE HA 2.80 (# 791:25 Single Ambig)
&rst
ixpk= 791, nxpk= 25, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 580, 588, 572, 592,
&end
#
# 36 GLN HN 34 PHE HA 5.50 (# 792:25 Unique 4.90, 5.40 A)
&rst
ixpk= 792, nxpk= 25, iat= 599, 574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ASN HD2- 34 PHE HA 5.50 (# 794:25 Unique 2.61, 3.47 A)
&rst
ixpk= 794, nxpk= 25, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1061,1062,
&end
#
# 0 AMB 25-3:795 34 PHE HA 5.50 (# 795:25 Single Ambig)
&rst
ixpk= 795, nxpk= 25, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 567, 568, 582, 586,
&end
#
# 83 TYR QD 83 TYR HB- 3.50 (# 796:25 Unique 2.34, 3.08 A)
&rst
ixpk= 796, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1368,1377,
igr2=1364,1365,
&end
#
# 83 TYR QD 83 TYR HB+ 4.50 (# 797:25 Unique 2.34, 3.08 A)
&rst
ixpk= 797, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1368,1377,
igr2=1364,1365,
&end
#
# 0 AMB 25-3:798 83 TYR HB- 4.50 (# 798:25 Single Ambig)
&rst
ixpk= 798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1381,1360,
igr2=1364,1365,
&end
#
# 0 AMB 25-3:799 0 AMB 25-1:799 4.50 (# 799:25 Double Ambig)
&rst
ixpk= 799, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1381,1360,
igr2=1364,1365,1364,1365,
&end
#
# 83 TYR HA 83 TYR HB- 5.50 (# 800:25 Unique 2.33, 2.44 A)
&rst
ixpk= 800, nxpk= 25, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1364,1365,
&end
#
# 83 TYR HA 83 TYR HB+ 5.50 (# 801:25 Unique 2.33, 2.44 A)
&rst
ixpk= 801, nxpk= 25, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1364,1365,
&end
#
# 0 AMB 25-3:803 35 GLY HA- 4.50 (# 803:25 Single Ambig)
&rst
ixpk= 803, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 592, 572,
igr2= 594, 595,
&end
#
# 62 ALA HN 35 GLY HA- 5.50 (# 804:25 Unique 4.77, 5.39 A)
&rst
ixpk= 804, nxpk= 25, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 594, 595,
&end
#
# 35 GLY HN 35 GLY HA+ 4.50 (# 806:25 Unique 2.59, 2.82 A)
&rst
ixpk= 806, nxpk= 25, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 594, 595,
&end
#
# 36 GLN HG+ 36 GLN HA 4.50 (# 807:25 Unique 2.31, 3.43 A)
&rst
ixpk= 807, nxpk= 25, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 606, 607,
&end
#
# 0 AMB 25-3:808 36 GLN HA 5.50 (# 808:25 Single Ambig)
&rst
ixpk= 808, nxpk= 25, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 620, 967, 968, 967, 968,
&end
#
# 0 AMB 25-3:809 36 GLN HA 5.50 (# 809:25 Single Ambig)
&rst
ixpk= 809, nxpk= 25, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 618, 557,
&end
#
# 0 AMB 25-3:812 36 GLN HA 5.50 (# 812:25 Single Ambig)
&rst
ixpk= 812, nxpk= 25, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 599, 544,
&end
#
# 37 ILE HN 36 GLN HA 4.50 (# 813:25 Unique 2.01, 2.08 A)
&rst
ixpk= 813, nxpk= 25, iat= 616, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ILE HG1+ 36 GLN HG- 5.50 (# 814:25 Unique 5.26, 6.82 A)
&rst
ixpk= 814, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 626, 627,
igr2= 606, 607,
&end
#
# 0 AMB 25-3:815 0 AMB 25-1:815 5.50 (# 815:25 Double Ambig)
&rst
ixpk= 815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 967, 968, 967, 968,
igr2= 606, 607, 606, 607,
&end
#
# 36 GLN HA 36 GLN HG+ 5.50 (# 816:25 Unique 2.31, 3.43 A)
&rst
ixpk= 816, nxpk= 25, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 606, 607,
&end
#
# 36 GLN HA 36 GLN HG- 4.50 (# 817:25 Unique 2.31, 3.43 A)
&rst
ixpk= 817, nxpk= 25, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 606, 607,
&end
#
# 36 GLN HE2+ 36 GLN HG+ 5.50 (# 819:25 Unique 2.15, 3.33 A)
&rst
ixpk= 819, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 611, 612,
igr2= 606, 607,
&end
#
# 36 GLN HB+ 36 GLN HG+ 3.50 (# 822:25 Unique 2.32, 2.60 A)
&rst
ixpk= 822, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 603, 604,
igr2= 606, 607,
&end
#
# 0 AMB 25-3:823 0 AMB 25-1:823 2.80 (# 823:25 Double Ambig)
&rst
ixpk= 823, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 603, 604, 961, 962,
igr2= 606, 607, 606, 607,
&end
#
# 36 GLN HB+ 36 GLN HG- 4.50 (# 824:25 Unique 2.32, 2.60 A)
&rst
ixpk= 824, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 603, 604,
igr2= 606, 607,
&end
#
# 0 AMB 25-3:825 36 GLN HG- 3.50 (# 825:25 Single Ambig)
&rst
ixpk= 825, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 603, 604, 961, 962,
igr2= 606, 607,
&end
#
# 37 ILE HG1- 37 ILE HA 5.50 (# 827:25 Unique 2.31, 2.96 A)
&rst
ixpk= 827, nxpk= 25, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 0 AMB 25-3:829 37 ILE HA 5.50 (# 829:25 Single Ambig)
&rst
ixpk= 829, nxpk= 25, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 639, 640, 964, 965, 964, 965,
&end
#
# 37 ILE HG1+ 37 ILE HA 5.50 (# 830:25 Unique 2.31, 2.96 A)
&rst
ixpk= 830, nxpk= 25, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 37 ILE HB 37 ILE HA 5.50 (# 831:25 Unique 2.85, 3.03 A)
&rst
ixpk= 831, nxpk= 25, iat= 620, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE HA 37 ILE HA 4.50 (# 832:25 Unique 2.06, 2.39 A)
&rst
ixpk= 832, nxpk= 25, iat= 939, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LEU HN 37 ILE HA 3.50 (# 833:25 Unique 2.04, 2.23 A)
&rst
ixpk= 833, nxpk= 25, iat= 635, 618, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE QE 37 ILE HA 5.50 (# 834:25 Unique 3.76, 4.88 A)
&rst
ixpk= 834, nxpk= 25, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 947, 951,
&end
#
# 37 ILE QG2 37 ILE HB 3.50 (# 836:25 Unique 2.34, 2.65 A)
&rst
ixpk= 836, nxpk= 25, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 622, 623, 624,
&end
#
# 37 ILE QD1 37 ILE HB 5.50 (# 837:25 Unique 2.51, 3.46 A)
&rst
ixpk= 837, nxpk= 25, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 629, 630, 631,
&end
#
# 37 ILE HN 37 ILE HB 4.50 (# 838:25 Unique 2.17, 2.35 A)
&rst
ixpk= 838, nxpk= 25, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 SER HA 37 ILE HG1+ 5.50 (# 842:25 Unique 2.35, 3.51 A)
&rst
ixpk= 842, nxpk= 25, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 626, 627,
&end
#
# 37 ILE HA 37 ILE HG1+ 5.50 (# 843:25 Unique 2.31, 2.96 A)
&rst
ixpk= 843, nxpk= 25, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 626, 627,
&end
#
# 37 ILE QD1 37 ILE HG1+ 4.50 (# 844:25 Unique 1.99, 2.63 A)
&rst
ixpk= 844, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 629, 630, 631,
igr2= 626, 627,
&end
#
# 0 AMB 25-3:846 37 ILE QD1 2.80 (# 846:25 Single Ambig)
&rst
ixpk= 846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 622, 623, 624, 464, 465, 466,
igr2= 629, 630, 631,
&end
#
# 40 ILE QD1 37 ILE QD1 3.50 (# 847:25 Unique 2.22, 4.36 A)
&rst
ixpk= 847, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 679, 680, 681,
igr2= 629, 630, 631,
&end
#
# 37 ILE HB 37 ILE QD1 3.50 (# 848:25 Unique 2.51, 3.46 A)
&rst
ixpk= 848, nxpk= 25, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 629, 630, 631,
&end
#
# 31 PHE HB- 37 ILE QD1 5.50 (# 849:25 Unique 2.15, 3.41 A)
&rst
ixpk= 849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 528, 529,
igr2= 629, 630, 631,
&end
#
# 54 VAL QG+ 37 ILE QD1 3.50 (# 850:25 Unique 2.22, 4.67 A)
&rst
ixpk= 850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 908, 909, 910, 912, 913, 914,
igr2= 629, 630, 631,
&end
#
# 37 ILE HG1- 37 ILE QD1 3.50 (# 851:25 Unique 1.99, 2.63 A)
&rst
ixpk= 851, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 626, 627,
igr2= 629, 630, 631,
&end
#
# 28 TYR HA 37 ILE QD1 4.50 (# 852:25 Unique 2.19, 3.97 A)
&rst
ixpk= 852, nxpk= 25, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 629, 630, 631,
&end
#
# 37 ILE HA 37 ILE QD1 5.50 (# 853:25 Unique 2.25, 4.16 A)
&rst
ixpk= 853, nxpk= 25, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 32 SER HA 37 ILE QD1 5.50 (# 854:25 Unique 2.82, 4.48 A)
&rst
ixpk= 854, nxpk= 25, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 0 AMB 25-3:855 37 ILE QD1 4.50 (# 855:25 Single Ambig)
&rst
ixpk= 855, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 947, 951, 482, 491,
igr2= 629, 630, 631,
&end
#
# 0 AMB 25-3:856 37 ILE QD1 5.50 (# 856:25 Single Ambig)
&rst
ixpk= 856, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 947, 951, 482, 491,
igr2= 629, 630, 631,
&end
#
# 56 PHE QD 37 ILE QD1 4.50 (# 857:25 Unique 3.22, 6.22 A)
&rst
ixpk= 857, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 945, 953,
igr2= 629, 630, 631,
&end
#
# 0 AMB 25-3:858 37 ILE QD1 5.50 (# 858:25 Single Ambig)
&rst
ixpk= 858, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 947, 951, 482, 491,
igr2= 629, 630, 631,
&end
#
# 32 SER HN 37 ILE QD1 4.50 (# 859:25 Unique 2.51, 3.97 A)
&rst
ixpk= 859, nxpk= 25, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 629, 630, 631,
&end
#
# 31 PHE QD 37 ILE QD1 5.50 (# 860:25 Unique 2.66, 5.48 A)
&rst
ixpk= 860, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 532, 540,
igr2= 629, 630, 631,
&end
#
# 54 VAL QG+ 37 ILE QG2 3.50 (# 861:25 Unique 2.18, 5.34 A)
&rst
ixpk= 861, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 908, 909, 910, 912, 913, 914,
igr2= 622, 623, 624,
&end
#
# 37 ILE QD1 37 ILE QG2 2.80 (# 862:25 Unique 2.11, 3.69 A)
&rst
ixpk= 862, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 629, 630, 631,
igr2= 622, 623, 624,
&end
#
# 40 ILE QD1 37 ILE QG2 2.80 (# 863:25 Unique 2.15, 4.01 A)
&rst
ixpk= 863, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 679, 680, 681,
igr2= 622, 623, 624,
&end
#
# 37 ILE HB 37 ILE QG2 2.80 (# 865:25 Unique 2.34, 2.65 A)
&rst
ixpk= 865, nxpk= 25, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 622, 623, 624,
&end
#
# 37 ILE HA 37 ILE QG2 3.50 (# 866:25 Unique 2.26, 3.25 A)
&rst
ixpk= 866, nxpk= 25, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 622, 623, 624,
&end
#
# 40 ILE HA 37 ILE QG2 5.50 (# 867:25 Unique 4.38, 5.01 A)
&rst
ixpk= 867, nxpk= 25, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
&end
#
# 28 TYR QE 37 ILE QG2 5.50 (# 868:25 Unique 2.55, 6.54 A)
&rst
ixpk= 868, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 484, 489,
igr2= 622, 623, 624,
&end
#
# 0 AMB 25-3:869 37 ILE QG2 4.50 (# 869:25 Single Ambig)
&rst
ixpk= 869, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 482, 491, 947, 951,
igr2= 622, 623, 624,
&end
#
# 39 ASP HN 37 ILE QG2 3.50 (# 870:25 Unique 2.51, 3.35 A)
&rst
ixpk= 870, nxpk= 25, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 622, 623, 624,
&end
#
# 55 ILE HN 37 ILE QG2 5.50 (# 871:25 Unique 3.23, 4.44 A)
&rst
ixpk= 871, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
&end
#
# 0 AMB 25-3:872 37 ILE QG2 5.50 (# 872:25 Single Ambig)
&rst
ixpk= 872, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 666, 474,
igr2= 622, 623, 624,
&end
#
# 38 LEU HN 37 ILE QG2 4.50 (# 873:25 Unique 2.42, 3.19 A)
&rst
ixpk= 873, nxpk= 25, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 622, 623, 624,
&end
#
# 38 LEU QD- 38 LEU HA 2.80 (# 874:25 Unique 2.24, 3.86 A)
&rst
ixpk= 874, nxpk= 25, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 644, 645, 646, 648, 649, 650,
&end
#
# 0 AMB 25-3:876 38 LEU HA 4.50 (# 876:25 Single Ambig)
&rst
ixpk= 876, nxpk= 25, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 639, 640, 642,
&end
#
# 37 ILE HA 38 LEU HA 4.50 (# 878:25 Unique 4.38, 4.50 A)
&rst
ixpk= 878, nxpk= 25, iat= 618, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LEU HN 38 LEU HA 4.50 (# 881:25 Unique 2.79, 2.95 A)
&rst
ixpk= 881, nxpk= 25, iat= 635, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:882 85 LYS HA 4.50 (# 882:25 Single Ambig)
&rst
ixpk= 882, nxpk= 25, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1396,1397,1396,1397,
&end
#
# 0 AMB 25-3:883 0 AMB 25-1:883 3.50 (# 883:25 Double Ambig)
&rst
ixpk= 883, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 644, 645, 646, 648, 649, 650, 924, 925, 926,
igr2= 639, 640, 639, 640,
&end
#
# 0 AMB 25-3:884 38 LEU HB- 3.50 (# 884:25 Single Ambig)
&rst
ixpk= 884, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 644, 645, 646, 648, 649, 650, 924, 925, 926,
igr2= 639, 640,
&end
#
# 38 LEU HN 0 AMB 25-1:885 5.50 (# 885:25 Single Ambig)
&rst
ixpk= 885, nxpk= 25, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 642, 928, 929,
&end
#
# 0 AMB 25-3:887 24 LYS HG- 5.50 (# 887:25 Single Ambig)
&rst
ixpk= 887, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 413, 414, 413, 414,
igr2= 407, 408,
&end
#
# 0 AMB 25-3:888 24 LYS HG- 5.50 (# 888:25 Single Ambig)
&rst
ixpk= 888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 333, 334, 426, 427, 355, 356,
igr2= 407, 408,
&end
#
# 0 AMB 25-3:889 0 AMB 25-1:889 2.80 (# 889:25 Double Ambig)
&rst
ixpk= 889, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 644, 645, 646, 648, 649, 650, 644, 645, 646, 648,
649, 650, 931, 932, 933,
igr2= 642, 928, 929,
&end
#
# 67 ARG HA 69 MET HA 7.00 (# 898:25 Unique 6.65, 6.80 A)
&rst
ixpk= 898, nxpk= 25, iat=1097,1135, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 39 ASP HB+ 39 ASP HA 4.50 (# 899:25 Unique 2.49, 2.78 A)
&rst
ixpk= 899, nxpk= 25, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 658, 659,
&end
#
# 72 PHE HB- 69 MET HA 4.50 (# 900:25 Unique 2.33, 2.94 A)
&rst
ixpk= 900, nxpk= 25, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1178,1179,
&end
#
# 40 ILE HN 39 ASP HA 4.50 (# 903:25 Unique 2.46, 2.50 A)
&rst
ixpk= 903, nxpk= 25, iat= 666, 656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:906 69 MET HA 5.50 (# 906:25 Single Ambig)
&rst
ixpk= 906, nxpk= 25, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1157,1158,1195,1196,
&end
#
# 37 ILE QG2 39 ASP HA 5.50 (# 907:25 Unique 3.40, 4.10 A)
&rst
ixpk= 907, nxpk= 25, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 622, 623, 624,
&end
#
# 0 AMB 25-3:908 0 AMB 25-1:908 4.50 (# 908:25 Double Ambig)
&rst
ixpk= 908, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1344,1345,1346, 924, 925, 926, 691, 692, 693, 695,
696, 697,
igr2=1135, 656,
&end
#
# 69 MET HG+ 69 MET HA 4.50 (# 909:25 Unique 2.71, 3.45 A)
&rst
ixpk= 909, nxpk= 25, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1140,1141,
&end
#
# 0 AMB 25-3:911 0 AMB 25-1:911 3.50 (# 911:25 Double Ambig)
&rst
ixpk= 911, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 931, 932, 933, 644, 645, 646, 648, 649, 650, 924,
925, 926,
igr2= 658, 659, 658, 659, 658, 659,
&end
#
# 0 AMB 25-3:912 39 ASP HB- 3.50 (# 912:25 Single Ambig)
&rst
ixpk= 912, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 931, 932, 933, 644, 645, 646, 648, 649, 650, 924,
925, 926,
igr2= 658, 659,
&end
#
# 39 ASP HA 39 ASP HB+ 4.50 (# 913:25 Unique 2.49, 2.78 A)
&rst
ixpk= 913, nxpk= 25, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 658, 659,
&end
#
# 39 ASP HA 39 ASP HB- 4.50 (# 914:25 Unique 2.49, 2.78 A)
&rst
ixpk= 914, nxpk= 25, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 658, 659,
&end
#
# 40 ILE HN 39 ASP HB- 5.50 (# 915:25 Unique 3.08, 3.71 A)
&rst
ixpk= 915, nxpk= 25, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 658, 659,
&end
#
# 0 AMB 25-3:916 40 ILE HB 2.80 (# 916:25 Single Ambig)
&rst
ixpk= 916, nxpk= 25, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 672, 673, 674, 679, 680, 681,
&end
#
# 23 LEU QD2 40 ILE HB 7.00 (# 917:25 Unique 6.47, 7.52 A)
&rst
ixpk= 917, nxpk= 25, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 394, 395, 396,
&end
#
# 0 AMB 25-3:918 40 ILE HB 5.50 (# 918:25 Single Ambig)
&rst
ixpk= 918, nxpk= 25, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 404, 405, 404, 405,
&end
#
# 0 AMB 25-3:920 40 ILE HB 5.50 (# 920:25 Single Ambig)
&rst
ixpk= 920, nxpk= 25, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 668, 656,
&end
#
# 40 ILE HN 40 ILE HB 5.50 (# 921:25 Unique 2.67, 2.77 A)
&rst
ixpk= 921, nxpk= 25, iat= 666, 670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 PHE HN 40 ILE HB 7.00 (# 922:25 Unique 6.90, 7.06 A)
&rst
ixpk= 922, nxpk= 25, iat= 882, 670, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 15 ASN HA 77 LYS HD- 5.50 (# 929:25 Unique 2.03, 3.08 A)
&rst
ixpk= 929, nxpk= 25, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1271,1272,
&end
#
# 54 VAL QG+ 40 ILE QD1 5.50 (# 930:25 Unique 3.15, 6.10 A)
&rst
ixpk= 930, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 908, 909, 910, 912, 913, 914,
igr2= 679, 680, 681,
&end
#
# 27 LEU HB+ 40 ILE QD1 5.50 (# 931:25 Unique 2.16, 3.23 A)
&rst
ixpk= 931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 459, 460,
igr2= 679, 680, 681,
&end
#
# 28 TYR HB+ 40 ILE QD1 4.50 (# 932:25 Unique 2.46, 5.07 A)
&rst
ixpk= 932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 478, 479,
igr2= 679, 680, 681,
&end
#
# 0 AMB 25-3:934 40 ILE QD1 5.50 (# 934:25 Single Ambig)
&rst
ixpk= 934, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 668, 656,
igr2= 679, 680, 681,
&end
#
# 28 TYR QD 40 ILE QD1 5.50 (# 936:25 Unique 2.61, 5.37 A)
&rst
ixpk= 936, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 482, 491,
igr2= 679, 680, 681,
&end
#
# 36 GLN HE2+ 40 ILE QD1 5.50 (# 938:25 Unique 6.58, 7.74 A)
&rst
ixpk= 938, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 611, 612,
igr2= 679, 680, 681,
&end
#
# 0 AMB 25-3:939 40 ILE QD1 5.50 (# 939:25 Single Ambig)
&rst
ixpk= 939, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 544, 918,
igr2= 679, 680, 681,
&end
#
# 0 AMB 25-3:940 40 ILE QD1 4.50 (# 940:25 Single Ambig)
&rst
ixpk= 940, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 474, 666,
igr2= 679, 680, 681,
&end
#
# 0 AMB 25-3:941 40 ILE QG2 4.50 (# 941:25 Single Ambig)
&rst
ixpk= 941, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 622, 623, 624, 184, 185, 186,
igr2= 672, 673, 674,
&end
#
# 55 ILE HN 40 ILE QG2 5.50 (# 945:25 Unique 4.89, 6.23 A)
&rst
ixpk= 945, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 672, 673, 674,
&end
#
# 42 ALA HN 40 ILE QG2 5.50 (# 946:25 Unique 3.69, 4.90 A)
&rst
ixpk= 946, nxpk= 25, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 672, 673, 674,
&end
#
# 41 VAL HN 40 ILE QG2 4.50 (# 947:25 Unique 2.62, 3.34 A)
&rst
ixpk= 947, nxpk= 25, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 672, 673, 674,
&end
#
# 0 AMB 25-3:949 40 ILE QG2 5.50 (# 949:25 Single Ambig)
&rst
ixpk= 949, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 404, 405, 404, 405,
igr2= 672, 673, 674,
&end
#
# 54 VAL QG- 40 ILE QG2 4.50 (# 950:25 Unique 3.10, 5.87 A)
&rst
ixpk= 950, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 908, 909, 910, 912, 913, 914,
igr2= 672, 673, 674,
&end
#
# 42 ALA HN 41 VAL HA 3.50 (# 951:25 Unique 2.00, 2.13 A)
&rst
ixpk= 951, nxpk= 25, iat= 701, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 VAL QG- 41 VAL HA 4.50 (# 955:25 Unique 2.17, 3.19 A)
&rst
ixpk= 955, nxpk= 25, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 57 LYS HN 57 LYS HB- 5.50 (# 957:25 Unique 2.41, 3.08 A)
&rst
ixpk= 957, nxpk= 25, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 961, 962,
&end
#
# 41 VAL QG- 41 VAL HB 4.50 (# 959:25 Unique 2.34, 2.66 A)
&rst
ixpk= 959, nxpk= 25, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 691, 692, 693, 695, 696, 697,
&end
#
# 55 ILE HG1- 41 VAL QG+ 5.50 (# 961:25 Unique 4.10, 6.79 A)
&rst
ixpk= 961, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 928, 929,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 0 AMB 25-3:962 0 AMB 25-1:962 3.50 (# 962:25 Double Ambig)
&rst
ixpk= 962, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 718, 689, 715, 716,
igr2= 691, 692, 693, 695, 696, 697, 691, 692, 693, 695,
696, 697, 691, 692, 693, 695, 696, 697,
&end
#
# 0 AMB 25-3:963 0 AMB 25-1:963 4.50 (# 963:25 Double Ambig)
&rst
ixpk= 963, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 886, 887, 886, 887,
igr2= 691, 692, 693, 695, 696, 697, 691, 692, 693, 695,
696, 697,
&end
#
# 41 VAL HA 41 VAL QG+ 3.50 (# 964:25 Unique 2.17, 3.19 A)
&rst
ixpk= 964, nxpk= 25, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 41 VAL HN 41 VAL QG+ 4.50 (# 966:25 Unique 2.26, 4.27 A)
&rst
ixpk= 966, nxpk= 25, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 42 ALA HN 41 VAL QG+ 5.50 (# 969:25 Unique 2.67, 4.58 A)
&rst
ixpk= 969, nxpk= 25, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 42 ALA QB 41 VAL QG- 4.50 (# 973:25 Unique 5.17, 7.27 A)
&rst
ixpk= 973, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 705, 706, 707,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 0 AMB 25-3:976 41 VAL QG- 5.50 (# 976:25 Single Ambig)
&rst
ixpk= 976, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 886, 887, 886, 887,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 53 PHE QD 41 VAL QG- 5.50 (# 978:25 Unique 2.87, 6.08 A)
&rst
ixpk= 978, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 890, 898,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 42 ALA HN 41 VAL QG- 4.50 (# 979:25 Unique 2.67, 4.58 A)
&rst
ixpk= 979, nxpk= 25, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 41 VAL HA 41 VAL QG- 4.50 (# 980:25 Unique 2.17, 3.19 A)
&rst
ixpk= 980, nxpk= 25, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 0 AMB 25-3:981 42 ALA QB 3.50 (# 981:25 Single Ambig)
&rst
ixpk= 981, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 333, 334, 385, 386, 410, 411,
igr2= 705, 706, 707,
&end
#
# 23 LEU HG 42 ALA QB 2.80 (# 982:25 Unique 2.19, 2.85 A)
&rst
ixpk= 982, nxpk= 25, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 705, 706, 707,
&end
#
# 27 LEU QD1 42 ALA QB 5.50 (# 983:25 Unique 4.95, 6.45 A)
&rst
ixpk= 983, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 464, 465, 466,
igr2= 705, 706, 707,
&end
#
# 23 LEU QD1 42 ALA QB 3.50 (# 984:25 Unique 2.31, 3.58 A)
&rst
ixpk= 984, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 390, 391, 392,
igr2= 705, 706, 707,
&end
#
# 0 AMB 25-3:985 42 ALA QB 4.50 (# 985:25 Single Ambig)
&rst
ixpk= 985, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 672, 673, 674, 691, 692, 693, 695, 696, 697,
igr2= 705, 706, 707,
&end
#
# 20 LYS HG- 42 ALA QB 3.50 (# 986:25 Unique 2.20, 4.16 A)
&rst
ixpk= 986, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 336, 337,
igr2= 705, 706, 707,
&end
#
# 52 ALA QB 42 ALA QB 3.50 (# 987:25 Unique 2.50, 4.36 A)
&rst
ixpk= 987, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 876, 877, 878,
igr2= 705, 706, 707,
&end
#
# 42 ALA HN 42 ALA QB 4.50 (# 990:25 Unique 2.65, 3.39 A)
&rst
ixpk= 990, nxpk= 25, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 705, 706, 707,
&end
#
# 20 LYS QE 42 ALA QB 5.50 (# 991:25 Unique 2.18, 5.94 A)
&rst
ixpk= 991, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 342, 343,
igr2= 705, 706, 707,
&end
#
# 0 AMB 25-3:992 0 AMB 25-1:992 5.50 (# 992:25 Double Ambig)
&rst
ixpk= 992, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 867, 868, 824, 807,
igr2= 787, 768,
&end
#
# 0 AMB 25-3:997 0 AMB 25-1:997 3.50 (# 997:25 Double Ambig)
&rst
ixpk= 997, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 770, 771, 795, 796, 795, 796,
igr2= 768, 787,
&end
#
# 22 GLU HG- 19 LYS HB- 5.50 (# 1002:25 Unique 2.01, 3.74 A)
&rst
ixpk= 1002, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 373, 374,
igr2= 311, 312,
&end
#
# 53 PHE HN 48 MET HA 7.00 (# 1007:25 Unique 5.47, 5.69 A)
&rst
ixpk= 1007, nxpk= 25, iat= 882, 809, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:1012 0 AMB 25-1:1012 5.50 (# 1012:25 Double Ambig)
&rst
ixpk= 1012, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 705, 706, 707, 758, 759, 760,
igr2= 811, 812, 811, 812, 811, 812,
&end
#
# 0 AMB 25-3:1013 0 AMB 25-1:1013 4.50 (# 1013:25 Double Ambig)
&rst
ixpk= 1013, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 737, 738, 737, 738,
igr2= 734, 735, 734, 735,
&end
#
# 0 AMB 25-3:1014 0 AMB 25-1:1014 3.50 (# 1014:25 Double Ambig)
&rst
ixpk= 1014, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 859, 860, 859, 860, 859, 860, 862, 863,
igr2= 811, 812, 811, 812, 811, 812, 811, 812,
&end
#
# 0 AMB 25-3:1015 0 AMB 25-1:1015 4.50 (# 1015:25 Double Ambig)
&rst
ixpk= 1015, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 814, 815, 814, 815,
igr2= 811, 812, 811, 812,
&end
#
# 24 LYS HA 24 LYS HB+ 4.50 (# 1016:25 Unique 2.45, 2.81 A)
&rst
ixpk= 1016, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 404, 405,
&end
#
# 0 AMB 25-3:1017 0 AMB 25-1:1017 4.50 (# 1017:25 Double Ambig)
&rst
ixpk= 1017, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 732, 809,
igr2= 734, 735, 811, 812, 811, 812, 811, 812,
&end
#
# 0 AMB 25-3:1021 0 AMB 25-1:1021 4.50 (# 1021:25 Double Ambig)
&rst
ixpk= 1021, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 807, 824,
igr2= 811, 812, 811, 812,
&end
#
# 24 LYS HN 24 LYS HB+ 4.50 (# 1023:25 Unique 2.32, 2.71 A)
&rst
ixpk= 1023, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 404, 405,
&end
#
# 0 AMB 25-3:1025 48 MET HG- 4.50 (# 1025:25 Single Ambig)
&rst
ixpk= 1025, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 811, 812, 811, 812,
igr2= 814, 815,
&end
#
# 0 AMB 25-3:1026 48 MET HG- 3.50 (# 1026:25 Single Ambig)
&rst
ixpk= 1026, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 859, 860, 859, 860, 862, 863,
igr2= 814, 815,
&end
#
# 0 AMB 25-3:1027 0 AMB 25-1:1027 3.50 (# 1027:25 Double Ambig)
&rst
ixpk= 1027, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 859, 860, 859, 860, 862, 863,
igr2= 814, 815, 814, 815, 814, 815,
&end
#
# 0 AMB 25-3:1028 0 AMB 25-1:1028 4.50 (# 1028:25 Double Ambig)
&rst
ixpk= 1028, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 811, 812, 811, 812,
igr2= 814, 815, 814, 815,
&end
#
# 0 AMB 25-3:1029 48 MET HG- 5.50 (# 1029:25 Single Ambig)
&rst
ixpk= 1029, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 720, 721, 722, 724, 725, 726, 720, 721, 722, 724,
725, 726,
igr2= 814, 815,
&end
#
# 48 MET HA 48 MET HG- 4.50 (# 1030:25 Unique 2.41, 3.24 A)
&rst
ixpk= 1030, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 814, 815,
&end
#
# 48 MET HA 48 MET HG+ 5.50 (# 1031:25 Unique 2.41, 3.24 A)
&rst
ixpk= 1031, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 814, 815,
&end
#
# 43 LEU HB+ 48 MET HG+ 5.50 (# 1035:25 Unique 2.12, 4.24 A)
&rst
ixpk= 1035, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 715, 716,
igr2= 814, 815,
&end
#
# 0 AMB 25-3:1036 49 ARG HA 5.50 (# 1036:25 Single Ambig)
&rst
ixpk= 1036, nxpk= 25, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 253, 850, 851, 268, 768,
&end
#
# 0 AMB 25-3:1037 49 ARG HA 4.50 (# 1037:25 Single Ambig)
&rst
ixpk= 1037, nxpk= 25, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 732, 809,
&end
#
# 0 AMB 25-3:1039 49 ARG HA 4.50 (# 1039:25 Single Ambig)
&rst
ixpk= 1039, nxpk= 25, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 834, 835, 834, 835,
&end
#
# 0 AMB 25-3:1040 49 ARG HA 3.50 (# 1040:25 Single Ambig)
&rst
ixpk= 1040, nxpk= 25, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 828, 829, 828, 829,
&end
#
# 49 ARG HG- 49 ARG HA 5.50 (# 1041:25 Unique 2.26, 2.69 A)
&rst
ixpk= 1041, nxpk= 25, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 831, 832,
&end
#
# 51 GLN HN 49 ARG HA 5.50 (# 1043:25 Unique 3.86, 4.19 A)
&rst
ixpk= 1043, nxpk= 25, iat= 855, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLY HN 49 ARG HA 4.50 (# 1044:25 Unique 3.47, 3.57 A)
&rst
ixpk= 1044, nxpk= 25, iat= 848, 826, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 ARG HN 49 ARG HA 5.50 (# 1046:25 Unique 2.30, 2.88 A)
&rst
ixpk= 1046, nxpk= 25, iat= 824, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ARG HG+ 49 ARG HA 5.50 (# 1047:25 Unique 2.26, 2.69 A)
&rst
ixpk= 1047, nxpk= 25, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 831, 832,
&end
#
# 0 AMB 25-3:1048 0 AMB 25-1:1048 5.50 (# 1048:25 Double Ambig)
&rst
ixpk= 1048, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 775, 776, 777, 779, 780, 781,
igr2= 828, 829, 828, 829, 828, 829,
&end
#
# 0 AMB 25-3:1049 0 AMB 25-1:1049 3.50 (# 1049:25 Double Ambig)
&rst
ixpk= 1049, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 834, 835, 834, 835, 834, 835,1105,1106,1105,1106,
1105,1106,
igr2= 828, 829, 828, 829, 828, 829,1099,1100,1099,1100,
25, 26,
&end
#
# 49 ARG HA 0 AMB 25-1:1052 4.50 (# 1052:25 Single Ambig)
&rst
ixpk= 1052, nxpk= 25, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 828, 829, 828, 829,
&end
#
# 0 AMB 25-3:1053 0 AMB 25-1:1053 4.50 (# 1053:25 Double Ambig)
&rst
ixpk= 1053, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 824,1095,
igr2= 828, 829, 828, 829,1099,1100,
&end
#
# 0 AMB 25-3:1055 0 AMB 25-1:1055 5.50 (# 1055:25 Double Ambig)
&rst
ixpk= 1055, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 814, 815, 814, 815,
igr2= 828, 829, 828, 829,
&end
#
# 99 LYS HE- 100 GLU HB- 5.50 (# 1056:25 Unique 2.25, 5.67 A)
&rst
ixpk= 1056, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1622,1623,
igr2=1635,1636,
&end
#
# 0 AMB 25-3:1057 0 AMB 25-1:1057 5.50 (# 1057:25 Double Ambig)
&rst
ixpk= 1057, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
igr1=1097, 850, 851,1045,1046,
igr2=1099,1100, 828, 829, 828, 829,1099,1100,
&end
#
# 0 AMB 25-3:1058 0 AMB 25-1:1058 4.50 (# 1058:25 Double Ambig)
&rst
ixpk= 1058, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1097, 850, 851,1045,1046,
igr2=1099,1100, 828, 829, 828, 829,1099,1100,
&end
#
# 96 GLY HN 100 GLU HB- 5.50 (# 1059:25 Unique 4.95, 6.25 A)
&rst
ixpk= 1059, nxpk= 25, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1635,1636,
&end
#
# 100 GLU HN 100 GLU HB- 5.50 (# 1060:25 Unique 2.05, 3.01 A)
&rst
ixpk= 1060, nxpk= 25, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1635,1636,
&end
#
# 0 AMB 25-3:1062 0 AMB 25-1:1062 3.50 (# 1062:25 Double Ambig)
&rst
ixpk= 1062, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 834, 835, 834, 835,
igr2= 831, 832, 831, 832,
&end
#
# 49 ARG HA 49 ARG HG+ 5.50 (# 1063:25 Unique 2.26, 2.69 A)
&rst
ixpk= 1063, nxpk= 25, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 831, 832,
&end
#
# 0 AMB 25-3:1064 0 AMB 25-1:1064 4.50 (# 1064:25 Double Ambig)
&rst
ixpk= 1064, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 824, 807,
igr2= 831, 832, 831, 832,
&end
#
# 0 AMB 25-3:1068 0 AMB 25-1:1068 2.80 (# 1068:25 Double Ambig)
&rst
ixpk= 1068, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 828, 829, 828, 829, 828, 829,1099,1100,1099,1100,
25, 26,
igr2= 834, 835, 834, 835, 834, 835,1105,1106,1105,1106,
1105,1106,
&end
#
# 0 AMB 25-3:1070 0 AMB 25-1:1070 5.50 (# 1070:25 Double Ambig)
&rst
ixpk= 1070, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1= 775, 776, 777, 47, 48, 49, 779, 780, 781,
igr2= 834, 835, 834, 835,1105,1106,1105,1106, 834, 835,
&end
#
# 64 ASN HA 0 AMB 25-1:1072 4.50 (# 1072:25 Single Ambig)
&rst
ixpk= 1072, nxpk= 25, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1105,1106,1105,1106,
&end
#
# 0 AMB 25-3:1073 0 AMB 25-1:1073 4.50 (# 1073:25 Double Ambig)
&rst
ixpk= 1073, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1=1045,1046,1045,1046,1045,1046,1097,
igr2=1105,1106,1105,1106,1105,1106,1105,1106,
&end
#
# 0 AMB 25-3:1078 0 AMB 25-1:1078 4.50 (# 1078:25 Double Ambig)
&rst
ixpk= 1078, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1290,1291,1301,1302,
igr2=1169,1170,1169,1170,
&end
#
# 0 AMB 25-3:1079 0 AMB 25-1:1079 5.50 (# 1079:25 Double Ambig)
&rst
ixpk= 1079, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1290,1291,1154,1155,
igr2=1169,1170,1169,1170,
&end
#
# 0 AMB 25-3:1080 71 GLY HA- 5.50 (# 1080:25 Single Ambig)
&rst
ixpk= 1080, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1290,1291,1154,1155,
igr2=1169,1170,
&end
#
# 0 AMB 25-3:1081 71 GLY HA- 5.50 (# 1081:25 Single Ambig)
&rst
ixpk= 1081, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1290,1291,1301,1302,
igr2=1169,1170,
&end
#
# 72 PHE HN 71 GLY HA+ 5.50 (# 1082:25 Unique 3.05, 3.40 A)
&rst
ixpk= 1082, nxpk= 25, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1169,1170,
&end
#
# 72 PHE HN 71 GLY HA- 5.50 (# 1083:25 Unique 3.05, 3.40 A)
&rst
ixpk= 1083, nxpk= 25, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1169,1170,
&end
#
# 0 AMB 25-3:1084 71 GLY HA- 4.50 (# 1084:25 Single Ambig)
&rst
ixpk= 1084, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1167,1297,
igr2=1169,1170,
&end
#
# 0 AMB 25-3:1085 0 AMB 25-1:1085 4.50 (# 1085:25 Double Ambig)
&rst
ixpk= 1085, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1167,1297,
igr2=1169,1170,1169,1170,
&end
#
# 12 ASN HA 51 GLN HA 4.50 (# 1086:25 Unique 2.05, 2.55 A)
&rst
ixpk= 1086, nxpk= 25, iat= 192, 857, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1087 51 GLN HA 4.50 (# 1087:25 Single Ambig)
&rst
ixpk= 1087, nxpk= 25, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 859, 860, 859, 860, 862, 863,
&end
#
# 0 AMB 25-3:1089 51 GLN HA 5.50 (# 1089:25 Single Ambig)
&rst
ixpk= 1089, nxpk= 25, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 160, 165, 158, 167,
&end
#
# 52 ALA HN 51 GLN HA 3.50 (# 1090:25 Unique 2.31, 2.48 A)
&rst
ixpk= 1090, nxpk= 25, iat= 872, 857, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 GLN HN 51 GLN HA 5.50 (# 1091:25 Unique 2.80, 2.93 A)
&rst
ixpk= 1091, nxpk= 25, iat= 855, 857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 MET QE 0 AMB 25-1:1093 3.50 (# 1093:25 Single Ambig)
&rst
ixpk= 1093, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 818, 819, 820,
igr2= 859, 860, 859, 860, 862, 863,
&end
#
# 0 AMB 25-3:1094 0 AMB 25-1:1094 3.50 (# 1094:25 Double Ambig)
&rst
ixpk= 1094, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 789, 790, 811, 812, 811, 812, 811, 812,
igr2= 859, 860, 859, 860, 862, 863, 859, 860, 859, 860,
&end
#
# 12 ASN HA 0 AMB 25-1:1096 4.50 (# 1096:25 Single Ambig)
&rst
ixpk= 1096, nxpk= 25, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 862, 863, 859, 860, 859, 860,
&end
#
# 51 GLN HE2- 0 AMB 25-1:1097 5.50 (# 1097:25 Single Ambig)
&rst
ixpk= 1097, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 867, 868,
igr2= 859, 860, 859, 860, 862, 863,
&end
#
# 51 GLN HN 0 AMB 25-1:1098 5.50 (# 1098:25 Single Ambig)
&rst
ixpk= 1098, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 859, 860, 859, 860, 862, 863,
&end
#
# 51 GLN HA 0 AMB 25-1:1100 5.50 (# 1100:25 Single Ambig)
&rst
ixpk= 1100, nxpk= 25, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 859, 860, 859, 860, 862, 863,
&end
#
# 0 AMB 25-3:1101 0 AMB 25-1:1101 5.50 (# 1101:25 Double Ambig)
&rst
ixpk= 1101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
igr1= 194, 195, 154, 155, 154, 155, 194, 195, 194, 195,
igr2= 862, 863, 859, 860, 859, 860,
&end
#
# 11 ILE HB 0 AMB 25-1:1102 5.50 (# 1102:25 Single Ambig)
&rst
ixpk= 1102, nxpk= 25, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 862, 863, 859, 860, 859, 860,
&end
#
# 0 AMB 25-3:1103 0 AMB 25-1:1103 5.50 (# 1103:25 Double Ambig)
&rst
ixpk= 1103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.77, r4=12.27,
igr1= 792, 793, 792, 793, 792, 793, 222, 223, 222, 223,
222, 223,
igr2= 859, 860, 859, 860, 862, 863, 859, 860,
&end
#
# 42 ALA QB 52 ALA HA 5.50 (# 1107:25 Unique 3.14, 4.30 A)
&rst
ixpk= 1107, nxpk= 25, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 705, 706, 707,
&end
#
# 53 PHE HN 52 ALA HA 3.50 (# 1108:25 Unique 2.01, 2.31 A)
&rst
ixpk= 1108, nxpk= 25, iat= 882, 874, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 TYR QD 52 ALA HA 7.00 (# 1110:25 Unique 4.86, 7.57 A)
&rst
ixpk= 1110, nxpk= 25, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 158, 167,
&end
#
# 0 AMB 25-3:1112 52 ALA QB 3.50 (# 1112:25 Single Ambig)
&rst
ixpk= 1112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233, 464, 465, 466,
igr2= 876, 877, 878,
&end
#
# 0 AMB 25-3:1113 52 ALA QB 3.50 (# 1113:25 Single Ambig)
&rst
ixpk= 1113, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233, 464, 465, 466,
igr2= 876, 877, 878,
&end
#
# 0 AMB 25-3:1114 52 ALA QB 2.80 (# 1114:25 Single Ambig)
&rst
ixpk= 1114, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
igr2= 876, 877, 878,
&end
#
# 0 AMB 25-3:1115 52 ALA QB 2.80 (# 1115:25 Single Ambig)
&rst
ixpk= 1115, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 390, 391, 392, 177, 178, 179,
igr2= 876, 877, 878,
&end
#
# 0 AMB 25-3:1116 0 AMB 25-1:1116 3.50 (# 1116:25 Double Ambig)
&rst
ixpk= 1116, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 928, 929, 175,
igr2= 123, 124, 125, 876, 877, 878,
&end
#
# 0 AMB 25-3:1117 8 THR QG2 4.50 (# 1117:25 Single Ambig)
&rst
ixpk= 1117, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 886, 887, 886, 887,
igr2= 123, 124, 125,
&end
#
# 8 THR HB 8 THR QG2 5.50 (# 1118:25 Unique 2.32, 2.67 A)
&rst
ixpk= 1118, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 123, 124, 125,
&end
#
# 52 ALA HA 52 ALA QB 3.50 (# 1120:25 Unique 2.35, 2.66 A)
&rst
ixpk= 1120, nxpk= 25, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 876, 877, 878,
&end
#
# 0 AMB 25-3:1121 0 AMB 25-1:1121 2.80 (# 1121:25 Double Ambig)
&rst
ixpk= 1121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 131, 882,
igr2= 123, 124, 125, 876, 877, 878,
&end
#
# 54 VAL QG- 52 ALA QB 5.50 (# 1123:25 Unique 3.17, 6.58 A)
&rst
ixpk= 1123, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 908, 909, 910, 912, 913, 914,
igr2= 876, 877, 878,
&end
#
# 0 AMB 25-3:1124 52 ALA QB 3.50 (# 1124:25 Single Ambig)
&rst
ixpk= 1124, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 705, 706, 707, 181, 182,
igr2= 876, 877, 878,
&end
#
# 0 AMB 25-3:1125 52 ALA QB 5.50 (# 1125:25 Single Ambig)
&rst
ixpk= 1125, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 818, 819, 820,1308,1309,1310, 462,
igr2= 876, 877, 878,
&end
#
# 23 LEU HG 52 ALA QB 5.50 (# 1126:25 Unique 2.54, 3.70 A)
&rst
ixpk= 1126, nxpk= 25, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 876, 877, 878,
&end
#
# 53 PHE QE 8 THR QG2 5.50 (# 1128:25 Unique 4.32, 6.75 A)
&rst
ixpk= 1128, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 892, 896,
igr2= 123, 124, 125,
&end
#
# 10 TYR HA 53 PHE HA 5.50 (# 1129:25 Unique 2.51, 2.91 A)
&rst
ixpk= 1129, nxpk= 25, iat= 152, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1130 53 PHE HA 3.50 (# 1130:25 Single Ambig)
&rst
ixpk= 1130, nxpk= 25, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 886, 887, 886, 887,
&end
#
# 0 AMB 25-3:1131 53 PHE HA 5.50 (# 1131:25 Single Ambig)
&rst
ixpk= 1131, nxpk= 25, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 906, 676, 677, 676, 677,
&end
#
# 0 AMB 25-3:1132 53 PHE HA 5.50 (# 1132:25 Single Ambig)
&rst
ixpk= 1132, nxpk= 25, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 908, 909, 910, 912, 913, 914, 144, 145, 146,
&end
#
# 54 VAL HN 53 PHE HA 3.50 (# 1134:25 Unique 2.09, 2.24 A)
&rst
ixpk= 1134, nxpk= 25, iat= 902, 884, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 ILE HN 53 PHE HA 5.50 (# 1135:25 Unique 3.13, 3.38 A)
&rst
ixpk= 1135, nxpk= 25, iat= 171, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ILE HG1+ 53 PHE HA 5.50 (# 1136:25 Unique 3.89, 4.73 A)
&rst
ixpk= 1136, nxpk= 25, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 141, 142,
&end
#
# 0 AMB 25-3:1137 0 AMB 25-1:1137 5.50 (# 1137:25 Double Ambig)
&rst
ixpk= 1137, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 882, 190, 685,
igr2= 886, 887, 886, 887, 194, 195, 886, 887,
&end
#
# 0 AMB 25-3:1138 0 AMB 25-1:1138 4.50 (# 1138:25 Double Ambig)
&rst
ixpk= 1138, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 204, 902,
igr2= 194, 195, 886, 887, 886, 887,
&end
#
# 8 THR HA 0 AMB 25-1:1141 5.50 (# 1141:25 Single Ambig)
&rst
ixpk= 1141, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 886, 887, 886, 887,
&end
#
# 53 PHE HA 0 AMB 25-1:1142 5.50 (# 1142:25 Single Ambig)
&rst
ixpk= 1142, nxpk= 25, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 886, 887, 886, 887,
&end
#
# 41 VAL HB 0 AMB 25-1:1145 5.50 (# 1145:25 Single Ambig)
&rst
ixpk= 1145, nxpk= 25, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 886, 887, 886, 887,
&end
#
# 61 SER HB- 61 SER HA 4.50 (# 1147:25 Unique 2.35, 2.74 A)
&rst
ixpk= 1147, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1024,1025,
&end
#
# 64 ASN HB- 61 SER HA 4.50 (# 1148:25 Unique 2.25, 3.17 A)
&rst
ixpk= 1148, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1056,1057,
&end
#
# 0 AMB 25-3:1150 61 SER HA 4.50 (# 1150:25 Single Ambig)
&rst
ixpk= 1150, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1020,1061,1062,
&end
#
# 55 ILE HN 54 VAL HA 4.50 (# 1151:25 Unique 1.84, 2.07 A)
&rst
ixpk= 1151, nxpk= 25, iat= 918, 904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ALA HN 61 SER HA 5.50 (# 1152:25 Unique 3.59, 3.61 A)
&rst
ixpk= 1152, nxpk= 25, iat=1031,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1153 54 VAL HB 5.50 (# 1153:25 Single Ambig)
&rst
ixpk= 1153, nxpk= 25, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 666, 474,
&end
#
# 0 AMB 25-3:1155 54 VAL HB 5.50 (# 1155:25 Single Ambig)
&rst
ixpk= 1155, nxpk= 25, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 141, 142, 181, 182, 705, 706, 707,
&end
#
# 0 AMB 25-3:1156 54 VAL HB 5.50 (# 1156:25 Single Ambig)
&rst
ixpk= 1156, nxpk= 25, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 876, 877, 878, 123, 124, 125,
&end
#
# 54 VAL QG+ 54 VAL HB 4.50 (# 1158:25 Unique 2.18, 2.64 A)
&rst
ixpk= 1158, nxpk= 25, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 908, 909, 910, 912, 913, 914,
&end
#
# 37 ILE QD1 54 VAL QG+ 3.50 (# 1160:25 Unique 2.22, 4.67 A)
&rst
ixpk= 1160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 629, 630, 631,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:1161 0 AMB 25-1:1161 3.50 (# 1161:25 Double Ambig)
&rst
ixpk= 1161, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 622, 623, 624, 464, 465, 466, 468, 469, 470,
igr2= 908, 909, 910, 912, 913, 914, 908, 909, 910, 912,
913, 914, 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:1162 0 AMB 25-1:1162 3.50 (# 1162:25 Double Ambig)
&rst
ixpk= 1162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 672, 673, 674, 679, 680, 681,
igr2= 908, 909, 910, 912, 913, 914, 908, 909, 910, 912,
913, 914,
&end
#
# 0 AMB 25-3:1163 0 AMB 25-1:1163 4.50 (# 1163:25 Double Ambig)
&rst
ixpk= 1163, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
igr1= 181, 182, 137, 138, 139, 390, 391, 392,
igr2= 908, 909, 910, 912, 913, 914, 908, 909, 910, 912,
913, 914, 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:1164 0 AMB 25-1:1164 5.50 (# 1164:25 Double Ambig)
&rst
ixpk= 1164, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
igr1= 181, 182, 137, 138, 139, 390, 391, 392,
igr2= 908, 909, 910, 912, 913, 914, 908, 909, 910, 912,
913, 914, 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:1165 0 AMB 25-1:1165 3.50 (# 1165:25 Double Ambig)
&rst
ixpk= 1165, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 676, 677, 676, 677, 906,
igr2= 908, 909, 910, 912, 913, 914, 908, 909, 910, 912,
913, 914, 908, 909, 910, 912, 913, 914,
&end
#
# 37 ILE HG1+ 54 VAL QG+ 5.50 (# 1166:25 Unique 2.39, 5.33 A)
&rst
ixpk= 1166, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 626, 627,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 31 PHE HB- 54 VAL QG+ 5.50 (# 1167:25 Unique 3.75, 5.57 A)
&rst
ixpk= 1167, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 528, 529,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 54 VAL HA 54 VAL QG+ 4.50 (# 1168:25 Unique 2.29, 3.59 A)
&rst
ixpk= 1168, nxpk= 25, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 56 PHE QE 54 VAL QG+ 4.50 (# 1169:25 Unique 2.26, 4.48 A)
&rst
ixpk= 1169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 947, 951,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 55 ILE HN 54 VAL QG+ 4.50 (# 1171:25 Unique 1.98, 4.15 A)
&rst
ixpk= 1171, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:1172 0 AMB 25-1:1172 5.50 (# 1172:25 Double Ambig)
&rst
ixpk= 1172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 902, 131,
igr2= 908, 909, 910, 912, 913, 914, 908, 909, 910, 912,
913, 914,
&end
#
# 40 ILE HA 54 VAL QG+ 5.50 (# 1173:25 Unique 2.33, 4.77 A)
&rst
ixpk= 1173, nxpk= 25, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 56 PHE QD 54 VAL QG+ 4.50 (# 1174:25 Unique 2.58, 5.81 A)
&rst
ixpk= 1174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 945, 953,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 39 ASP HN 54 VAL QG+ 5.50 (# 1175:25 Unique 3.79, 6.11 A)
&rst
ixpk= 1175, nxpk= 25, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 27 LEU HB- 54 VAL QG+ 5.50 (# 1176:25 Unique 3.01, 5.42 A)
&rst
ixpk= 1176, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 459, 460,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 37 ILE HG1- 54 VAL QG- 4.50 (# 1178:25 Unique 2.39, 5.33 A)
&rst
ixpk= 1178, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 626, 627,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:1179 54 VAL QG- 2.80 (# 1179:25 Single Ambig)
&rst
ixpk= 1179, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 622, 623, 624, 184, 185, 186,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:1180 54 VAL QG- 3.50 (# 1180:25 Single Ambig)
&rst
ixpk= 1180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 672, 673, 674, 679, 680, 681,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 23 LEU QD2 54 VAL QG- 4.50 (# 1181:25 Unique 4.53, 7.38 A)
&rst
ixpk= 1181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 394, 395, 396,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 27 LEU HB- 54 VAL QG- 4.50 (# 1182:25 Unique 3.01, 5.42 A)
&rst
ixpk= 1182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 459, 460,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:1183 54 VAL QG- 3.50 (# 1183:25 Single Ambig)
&rst
ixpk= 1183, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 676, 677, 906,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 54 VAL HA 54 VAL QG- 3.50 (# 1184:25 Unique 2.29, 3.59 A)
&rst
ixpk= 1184, nxpk= 25, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:1185 54 VAL QG- 4.50 (# 1185:25 Single Ambig)
&rst
ixpk= 1185, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 902, 131, 882,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 40 ILE HA 54 VAL QG- 5.50 (# 1186:25 Unique 2.33, 4.77 A)
&rst
ixpk= 1186, nxpk= 25, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 55 ILE QG2 55 ILE HA 4.50 (# 1188:25 Unique 2.42, 3.12 A)
&rst
ixpk= 1188, nxpk= 25, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 924, 925, 926,
&end
#
# 55 ILE HG1- 55 ILE HA 4.50 (# 1189:25 Unique 2.15, 3.32 A)
&rst
ixpk= 1189, nxpk= 25, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 928, 929,
&end
#
# 56 PHE HA 55 ILE HA 5.50 (# 1191:25 Unique 4.30, 4.51 A)
&rst
ixpk= 1191, nxpk= 25, iat= 939, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 THR HA 55 ILE HA 4.50 (# 1193:25 Unique 2.12, 2.26 A)
&rst
ixpk= 1193, nxpk= 25, iat= 119, 920, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HN 63 SER HA 4.50 (# 1194:25 Unique 2.30, 3.52 A)
&rst
ixpk= 1194, nxpk= 25, iat=1076,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE HN 55 ILE HA 4.50 (# 1196:25 Unique 2.16, 2.28 A)
&rst
ixpk= 1196, nxpk= 25, iat= 937, 920, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1197 55 ILE HA 5.50 (# 1197:25 Single Ambig)
&rst
ixpk= 1197, nxpk= 25, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 131, 902,
&end
#
# 0 AMB 25-3:1198 55 ILE HA 5.50 (# 1198:25 Single Ambig)
&rst
ixpk= 1198, nxpk= 25, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 141, 142, 639, 640,
&end
#
# 38 LEU HB+ 55 ILE HB 4.50 (# 1199:25 Unique 2.98, 4.23 A)
&rst
ixpk= 1199, nxpk= 25, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 639, 640,
&end
#
# 0 AMB 25-3:1200 55 ILE HB 2.80 (# 1200:25 Single Ambig)
&rst
ixpk= 1200, nxpk= 25, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 924, 925, 926, 931, 932, 933, 644, 645, 646, 648,
649, 650,
&end
#
# 39 ASP HN 55 ILE HB 4.50 (# 1201:25 Unique 2.31, 2.48 A)
&rst
ixpk= 1201, nxpk= 25, iat= 654, 922, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE HN 55 ILE HB 5.50 (# 1202:25 Unique 2.20, 2.47 A)
&rst
ixpk= 1202, nxpk= 25, iat= 918, 922, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1203 0 AMB 25-1:1203 2.80 (# 1203:25 Double Ambig)
&rst
ixpk= 1203, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 931, 932, 933, 924, 925, 926,
igr2= 928, 929, 928, 929,
&end
#
# 0 AMB 25-3:1204 0 AMB 25-1:1204 2.80 (# 1204:25 Double Ambig)
&rst
ixpk= 1204, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 644, 645, 646, 648, 649, 650, 931, 932, 933, 924,
925, 926,
igr2= 642, 928, 929,
&end
#
# 8 THR QG2 55 ILE HG1+ 5.50 (# 1205:25 Unique 1.90, 3.71 A)
&rst
ixpk= 1205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 123, 124, 125,
igr2= 928, 929,
&end
#
# 8 THR QG2 55 ILE HG1- 4.50 (# 1206:25 Unique 1.90, 3.71 A)
&rst
ixpk= 1206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 123, 124, 125,
igr2= 928, 929,
&end
#
# 39 ASP HN 0 AMB 25-1:1209 5.50 (# 1209:25 Single Ambig)
&rst
ixpk= 1209, nxpk= 25, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 642, 928, 929,
&end
#
# 8 THR QG2 55 ILE QD1 3.50 (# 1210:25 Unique 2.29, 3.98 A)
&rst
ixpk= 1210, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 123, 124, 125,
igr2= 931, 932, 933,
&end
#
# 55 ILE HG1- 55 ILE QD1 3.50 (# 1211:25 Unique 2.23, 2.66 A)
&rst
ixpk= 1211, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 928, 929,
igr2= 931, 932, 933,
&end
#
# 55 ILE HG1+ 55 ILE QD1 3.50 (# 1212:25 Unique 2.23, 2.66 A)
&rst
ixpk= 1212, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 928, 929,
igr2= 931, 932, 933,
&end
#
# 0 AMB 25-3:1213 55 ILE QD1 3.50 (# 1213:25 Single Ambig)
&rst
ixpk= 1213, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 689, 676, 677, 670,
igr2= 931, 932, 933,
&end
#
# 55 ILE HB 55 ILE QD1 3.50 (# 1214:25 Unique 2.35, 3.28 A)
&rst
ixpk= 1214, nxpk= 25, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 931, 932, 933,
&end
#
# 39 ASP HB- 55 ILE QD1 4.50 (# 1215:25 Unique 2.48, 4.41 A)
&rst
ixpk= 1215, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 658, 659,
igr2= 931, 932, 933,
&end
#
# 0 AMB 25-3:1216 55 ILE QD1 4.50 (# 1216:25 Single Ambig)
&rst
ixpk= 1216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 886, 887, 886, 887,
igr2= 931, 932, 933,
&end
#
# 39 ASP HB+ 55 ILE QD1 4.50 (# 1217:25 Unique 2.48, 4.41 A)
&rst
ixpk= 1217, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 658, 659,
igr2= 931, 932, 933,
&end
#
# 55 ILE HN 55 ILE QD1 5.50 (# 1218:25 Unique 2.41, 3.17 A)
&rst
ixpk= 1218, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 931, 932, 933,
&end
#
# 56 PHE HN 55 ILE QD1 5.50 (# 1219:25 Unique 5.49, 6.23 A)
&rst
ixpk= 1219, nxpk= 25, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 931, 932, 933,
&end
#
# 0 AMB 25-3:1220 55 ILE QD1 5.50 (# 1220:25 Single Ambig)
&rst
ixpk= 1220, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 622, 623, 624, 464, 465, 466,
igr2= 931, 932, 933,
&end
#
# 56 PHE HN 55 ILE QG2 5.50 (# 1224:25 Unique 2.54, 3.45 A)
&rst
ixpk= 1224, nxpk= 25, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 924, 925, 926,
&end
#
# 7 GLN HE2- 55 ILE QG2 5.50 (# 1226:25 Unique 2.76, 4.52 A)
&rst
ixpk= 1226, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 112, 113,
igr2= 924, 925, 926,
&end
#
# 0 AMB 25-3:1227 55 ILE QG2 5.50 (# 1227:25 Single Ambig)
&rst
ixpk= 1227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 107, 108, 658, 659,
igr2= 924, 925, 926,
&end
#
# 32 SER HA 56 PHE HB- 7.00 (# 1229:25 Unique 6.13, 7.41 A)
&rst
ixpk= 1229, nxpk= 25, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 941, 942,
&end
#
# 0 AMB 25-3:1230 0 AMB 25-1:1230 4.50 (# 1230:25 Double Ambig)
&rst
ixpk= 1230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1182,1190, 945, 953,
igr2=1178,1179, 941, 942,
&end
#
# 72 PHE HN 72 PHE HB- 5.50 (# 1231:25 Unique 2.14, 2.50 A)
&rst
ixpk= 1231, nxpk= 25, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1178,1179,
&end
#
# 56 PHE QD 56 PHE HB- 5.50 (# 1232:25 Unique 2.24, 3.08 A)
&rst
ixpk= 1232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 945, 953,
igr2= 941, 942,
&end
#
# 56 PHE HN 56 PHE HB+ 5.50 (# 1233:25 Unique 2.22, 3.12 A)
&rst
ixpk= 1233, nxpk= 25, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 941, 942,
&end
#
# 38 LEU QD+ 57 LYS HA 3.50 (# 1234:25 Unique 2.27, 4.25 A)
&rst
ixpk= 1234, nxpk= 25, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 644, 645, 646, 648, 649, 650,
&end
#
# 0 AMB 25-3:1235 57 LYS HA 4.50 (# 1235:25 Single Ambig)
&rst
ixpk= 1235, nxpk= 25, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 639, 640, 642,
&end
#
# 0 AMB 25-3:1236 57 LYS HA 2.80 (# 1236:25 Single Ambig)
&rst
ixpk= 1236, nxpk= 25, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 964, 965, 964, 965, 961, 962,
&end
#
# 57 LYS HB+ 57 LYS HA 5.50 (# 1237:25 Unique 2.35, 2.49 A)
&rst
ixpk= 1237, nxpk= 25, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 961, 962,
&end
#
# 7 GLN HE2+ 57 LYS HA 5.50 (# 1238:25 Unique 2.64, 3.67 A)
&rst
ixpk= 1238, nxpk= 25, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 112, 113,
&end
#
# 57 LYS HA 57 LYS HB- 5.50 (# 1242:25 Unique 2.35, 2.49 A)
&rst
ixpk= 1242, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 961, 962,
&end
#
# 57 LYS HA 57 LYS HB+ 3.50 (# 1243:25 Unique 2.35, 2.49 A)
&rst
ixpk= 1243, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 961, 962,
&end
#
# 57 LYS HN 57 LYS HB+ 4.50 (# 1244:25 Unique 2.41, 3.08 A)
&rst
ixpk= 1244, nxpk= 25, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 961, 962,
&end
#
# 57 LYS HN 57 LYS HB- 5.50 (# 1245:25 Unique 2.41, 3.08 A)
&rst
ixpk= 1245, nxpk= 25, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 961, 962,
&end
#
# 59 ILE HN 57 LYS HB+ 7.00 (# 1246:25 Unique 6.93, 7.63 A)
&rst
ixpk= 1246, nxpk= 25, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 961, 962,
&end
#
# 0 AMB 25-3:1248 0 AMB 25-1:1248 3.50 (# 1248:25 Double Ambig)
&rst
ixpk= 1248, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 967, 968, 967, 968,
igr2= 961, 962, 961, 962,
&end
#
# 0 AMB 25-3:1249 57 LYS HB- 3.50 (# 1249:25 Single Ambig)
&rst
ixpk= 1249, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 967, 968, 967, 968,
igr2= 961, 962,
&end
#
# 0 AMB 25-3:1250 0 AMB 25-1:1250 2.80 (# 1250:25 Double Ambig)
&rst
ixpk= 1250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 961, 962, 961, 962,
igr2= 964, 965, 964, 965,
&end
#
# 0 AMB 25-3:1251 0 AMB 25-1:1251 2.80 (# 1251:25 Double Ambig)
&rst
ixpk= 1251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 276, 277, 276, 277, 967, 968, 967, 968, 967, 968,
igr2= 273, 274, 273, 274, 964, 965, 964, 965, 964, 965,
&end
#
# 0 AMB 25-3:1252 0 AMB 25-1:1252 3.50 (# 1252:25 Double Ambig)
&rst
ixpk= 1252, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 970, 971, 970, 971, 970, 971, 279, 280, 279, 280,
igr2= 964, 965, 964, 965, 964, 965, 273, 274, 273, 274,
&end
#
# 0 AMB 25-3:1253 0 AMB 25-1:1253 3.50 (# 1253:25 Double Ambig)
&rst
ixpk= 1253, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 309, 268,1022,
igr2= 737, 738, 273, 274, 964, 965, 964, 965,
&end
#
# 57 LYS HA 0 AMB 25-1:1254 4.50 (# 1254:25 Single Ambig)
&rst
ixpk= 1254, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 964, 965, 964, 965,
&end
#
# 0 AMB 25-3:1255 0 AMB 25-1:1255 5.50 (# 1255:25 Double Ambig)
&rst
ixpk= 1255, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 983, 984, 983, 984, 986, 987,
igr2= 964, 965, 964, 965, 964, 965,
&end
#
# 57 LYS HN 0 AMB 25-1:1257 5.50 (# 1257:25 Single Ambig)
&rst
ixpk= 1257, nxpk= 25, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 964, 965, 964, 965,
&end
#
# 56 PHE QD 0 AMB 25-1:1260 5.50 (# 1260:25 Single Ambig)
&rst
ixpk= 1260, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 945, 953,
igr2= 964, 965, 964, 965,
&end
#
# 0 AMB 25-3:1261 0 AMB 25-1:1261 5.50 (# 1261:25 Double Ambig)
&rst
ixpk= 1261, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 986, 987, 986, 987,
igr2= 964, 965, 964, 965,
&end
#
# 36 GLN HG- 0 AMB 25-1:1262 4.50 (# 1262:25 Single Ambig)
&rst
ixpk= 1262, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 606, 607,
igr2= 967, 968, 967, 968,
&end
#
# 57 LYS HA 0 AMB 25-1:1263 5.50 (# 1263:25 Single Ambig)
&rst
ixpk= 1263, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 967, 968, 967, 968,
&end
#
# 0 AMB 25-3:1268 0 AMB 25-1:1268 3.50 (# 1268:25 Double Ambig)
&rst
ixpk= 1268, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 298, 299, 691, 692, 693, 695, 696, 697,
igr2= 279, 280, 279, 280, 342, 343,
&end
#
# 0 AMB 25-3:1270 0 AMB 25-1:1270 3.50 (# 1270:25 Double Ambig)
&rst
ixpk= 1270, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 606, 607, 358, 359,
igr2= 970, 971, 970, 971, 413, 414,
&end
#
# 58 GLU HA 58 GLU HB+ 4.50 (# 1281:25 Unique 2.50, 2.83 A)
&rst
ixpk= 1281, nxpk= 25, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 983, 984,
&end
#
# 61 SER HN 58 GLU HB- 5.50 (# 1282:25 Unique 2.22, 3.24 A)
&rst
ixpk= 1282, nxpk= 25, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 983, 984,
&end
#
# 58 GLU HN 58 GLU HB- 4.50 (# 1283:25 Unique 2.77, 3.22 A)
&rst
ixpk= 1283, nxpk= 25, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 983, 984,
&end
#
# 58 GLU HN 58 GLU HB+ 5.50 (# 1284:25 Unique 2.77, 3.22 A)
&rst
ixpk= 1284, nxpk= 25, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 983, 984,
&end
#
# 58 GLU HA 0 AMB 25-1:1285 3.50 (# 1285:25 Single Ambig)
&rst
ixpk= 1285, nxpk= 25, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 986, 987, 107, 108,
&end
#
# 58 GLU HA 58 GLU HG- 3.50 (# 1286:25 Unique 2.27, 3.03 A)
&rst
ixpk= 1286, nxpk= 25, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 986, 987,
&end
#
# 58 GLU HN 58 GLU HG- 5.50 (# 1287:25 Unique 3.42, 4.50 A)
&rst
ixpk= 1287, nxpk= 25, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 986, 987,
&end
#
# 0 AMB 25-3:1289 0 AMB 25-1:1289 4.50 (# 1289:25 Double Ambig)
&rst
ixpk= 1289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 961, 962, 429, 430,
igr2= 986, 987, 373, 374,
&end
#
# 0 AMB 25-3:1290 58 GLU HG- 4.50 (# 1290:25 Single Ambig)
&rst
ixpk= 1290, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 964, 965, 964, 965, 961, 962,
igr2= 986, 987,
&end
#
# 0 AMB 25-3:1291 59 ILE HA 3.50 (# 1291:25 Single Ambig)
&rst
ixpk= 1291, nxpk= 25, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1035,1036,1037, 998,
&end
#
# 0 AMB 25-3:1292 59 ILE HA 3.50 (# 1292:25 Single Ambig)
&rst
ixpk= 1292, nxpk= 25, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1004,1005,1007,1008,1009, 137, 138, 139,
&end
#
# 7 GLN HA 59 ILE HA 4.50 (# 1293:25 Unique 2.27, 2.59 A)
&rst
ixpk= 1293, nxpk= 25, iat= 102, 996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 PRO HA 59 ILE HA 5.50 (# 1294:25 Unique 4.05, 4.48 A)
&rst
ixpk= 1294, nxpk= 25, iat= 82, 996, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE HN 59 ILE HA 5.50 (# 1296:25 Unique 2.81, 2.84 A)
&rst
ixpk= 1296, nxpk= 25, iat= 994, 996, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1297 59 ILE HB 2.80 (# 1297:25 Single Ambig)
&rst
ixpk= 1297, nxpk= 25, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1004,1005,1007,1008,1009,
&end
#
# 59 ILE QG2 59 ILE HB 3.50 (# 1298:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1298, nxpk= 25, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1000,1001,1002,
&end
#
# 0 AMB 25-3:1300 59 ILE HB 4.50 (# 1300:25 Single Ambig)
&rst
ixpk= 1300, nxpk= 25, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 994,1013,
&end
#
# 0 AMB 25-3:1303 0 AMB 25-1:1303 4.50 (# 1303:25 Double Ambig)
&rst
ixpk= 1303, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 994,1013,
igr2=1004,1005,1004,1005,
&end
#
# 0 AMB 25-3:1304 59 ILE HG1- 5.50 (# 1304:25 Single Ambig)
&rst
ixpk= 1304, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 994,1013,
igr2=1004,1005,
&end
#
# 6 ASN HA 59 ILE HG1- 5.50 (# 1305:25 Unique 5.45, 6.02 A)
&rst
ixpk= 1305, nxpk= 25, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1004,1005,
&end
#
# 6 ASN HA 59 ILE HG1+ 5.50 (# 1306:25 Unique 5.45, 6.02 A)
&rst
ixpk= 1306, nxpk= 25, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1004,1005,
&end
#
# 0 AMB 25-3:1308 59 ILE QD1 2.80 (# 1308:25 Single Ambig)
&rst
ixpk= 1308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1004,1005, 998,
igr2=1007,1008,1009,
&end
#
# 0 AMB 25-3:1310 59 ILE QD1 4.50 (# 1310:25 Single Ambig)
&rst
ixpk= 1310, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 73, 74, 996,
igr2=1007,1008,1009,
&end
#
# 6 ASN HA 59 ILE QD1 4.50 (# 1311:25 Unique 4.25, 5.48 A)
&rst
ixpk= 1311, nxpk= 25, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1007,1008,1009,
&end
#
# 0 AMB 25-3:1313 59 ILE QD1 5.50 (# 1313:25 Single Ambig)
&rst
ixpk= 1313, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 994,1013,
igr2=1007,1008,1009,
&end
#
# 5 PRO HB+ 59 ILE QD1 4.50 (# 1314:25 Unique 2.22, 3.63 A)
&rst
ixpk= 1314, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 79, 80,
igr2=1007,1008,1009,
&end
#
# 5 PRO HB+ 59 ILE QG2 3.50 (# 1318:25 Unique 4.05, 4.90 A)
&rst
ixpk= 1318, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 79, 80,
igr2=1000,1001,1002,
&end
#
# 59 ILE HB 59 ILE QG2 2.80 (# 1319:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1319, nxpk= 25, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1000,1001,1002,
&end
#
# 5 PRO HG- 59 ILE QG2 5.50 (# 1320:25 Unique 6.15, 7.03 A)
&rst
ixpk= 1320, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 76, 77,
igr2=1000,1001,1002,
&end
#
# 59 ILE HA 59 ILE QG2 4.50 (# 1321:25 Unique 2.39, 3.12 A)
&rst
ixpk= 1321, nxpk= 25, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1000,1001,1002,
&end
#
# 59 ILE HN 59 ILE QG2 4.50 (# 1322:25 Unique 2.11, 2.99 A)
&rst
ixpk= 1322, nxpk= 25, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1000,1001,1002,
&end
#
# 60 GLY HN 60 GLY HA+ 5.50 (# 1326:25 Unique 1.85, 2.58 A)
&rst
ixpk= 1326, nxpk= 25, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1015,1016,
&end
#
# 60 GLY HN 60 GLY HA- 5.50 (# 1327:25 Unique 1.85, 2.58 A)
&rst
ixpk= 1327, nxpk= 25, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1015,1016,
&end
#
# 61 SER HN 60 GLY HA+ 5.50 (# 1328:25 Unique 2.51, 3.22 A)
&rst
ixpk= 1328, nxpk= 25, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1015,1016,
&end
#
# 61 SER HN 60 GLY HA- 5.50 (# 1329:25 Unique 2.51, 3.22 A)
&rst
ixpk= 1329, nxpk= 25, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1015,1016,
&end
#
# 0 AMB 25-3:1331 61 SER HA 7.00 (# 1331:25 Single Ambig)
&rst
ixpk= 1331, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1054, 574,
&end
#
# 61 SER HB+ 61 SER HA 5.50 (# 1332:25 Unique 2.35, 2.74 A)
&rst
ixpk= 1332, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1024,1025,
&end
#
# 0 AMB 25-3:1333 61 SER HA 4.50 (# 1333:25 Single Ambig)
&rst
ixpk= 1333, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1056,1057,1056,1057,
&end
#
# 54 VAL QG+ 54 VAL HA 5.50 (# 1334:25 Unique 2.29, 3.59 A)
&rst
ixpk= 1334, nxpk= 25, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:1335 61 SER HA 5.50 (# 1335:25 Single Ambig)
&rst
ixpk= 1335, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 594, 595,1015,1016,1045,1046,
&end
#
# 0 AMB 25-3:1337 54 VAL HA 5.50 (# 1337:25 Single Ambig)
&rst
ixpk= 1337, nxpk= 25, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 691, 692, 693, 695, 696, 697, 924, 925, 926, 390,
391, 392,
&end
#
# 64 ASN HN 61 SER HA 5.50 (# 1338:25 Unique 2.70, 3.37 A)
&rst
ixpk= 1338, nxpk= 25, iat=1052,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ASN HD2+ 61 SER HA 5.50 (# 1339:25 Unique 4.26, 5.30 A)
&rst
ixpk= 1339, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1061,1062,
&end
#
# 55 ILE HN 54 VAL HA 4.50 (# 1340:25 Unique 1.84, 2.07 A)
&rst
ixpk= 1340, nxpk= 25, iat= 918, 904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 SER HA 61 SER HB+ 5.50 (# 1341:25 Unique 2.35, 2.74 A)
&rst
ixpk= 1341, nxpk= 25, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1024,1025,
&end
#
# 61 SER HN 61 SER HB+ 5.50 (# 1345:25 Unique 2.52, 3.10 A)
&rst
ixpk= 1345, nxpk= 25, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1024,1025,
&end
#
# 0 AMB 25-3:1346 0 AMB 25-1:1346 5.50 (# 1346:25 Double Ambig)
&rst
ixpk= 1346, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 939, 981,1068,
igr2=1024,1025,1024,1025,1024,1025,
&end
#
# 62 ALA HN 62 ALA HA 5.50 (# 1347:25 Unique 2.82, 2.84 A)
&rst
ixpk= 1347, nxpk= 25, iat=1031,1033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE QD 62 ALA HA 5.50 (# 1348:25 Unique 2.43, 3.58 A)
&rst
ixpk= 1348, nxpk= 25, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 945, 953,
&end
#
# 0 AMB 25-3:1350 0 AMB 25-1:1350 4.50 (# 1350:25 Double Ambig)
&rst
ixpk= 1350, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 567, 568, 947, 951, 482, 491,
igr2= 497,1033,
&end
#
# 0 AMB 25-3:1351 29 ALA HA 5.50 (# 1351:25 Single Ambig)
&rst
ixpk= 1351, nxpk= 25, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 435, 436, 435, 436,
&end
#
# 9 ILE QG2 62 ALA HA 4.50 (# 1352:25 Unique 3.23, 4.05 A)
&rst
ixpk= 1352, nxpk= 25, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 137, 138, 139,
&end
#
# 65 ALA QB 62 ALA HA 5.50 (# 1353:25 Unique 2.55, 3.73 A)
&rst
ixpk= 1353, nxpk= 25, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1070,1071,1072,
&end
#
# 0 AMB 25-3:1354 0 AMB 25-1:1354 3.50 (# 1354:25 Double Ambig)
&rst
ixpk= 1354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 499, 500, 501,1035,1036,1037,
igr2= 497,1033,
&end
#
# 9 ILE QG2 62 ALA QB 3.50 (# 1355:25 Unique 2.25, 3.89 A)
&rst
ixpk= 1355, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 137, 138, 139,
igr2=1035,1036,1037,
&end
#
# 5 PRO HG- 62 ALA QB 5.50 (# 1356:25 Unique 6.20, 7.90 A)
&rst
ixpk= 1356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 76, 77,
igr2=1035,1036,1037,
&end
#
# 0 AMB 25-3:1357 0 AMB 25-1:1357 2.80 (# 1357:25 Double Ambig)
&rst
ixpk= 1357, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 497,1033,
igr2= 499, 500, 501,1035,1036,1037,
&end
#
# 0 AMB 25-3:1358 62 ALA QB 4.50 (# 1358:25 Single Ambig)
&rst
ixpk= 1358, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 941, 942, 996,
igr2=1035,1036,1037,
&end
#
# 61 SER HB+ 62 ALA QB 5.50 (# 1359:25 Unique 4.24, 5.68 A)
&rst
ixpk= 1359, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1024,1025,
igr2=1035,1036,1037,
&end
#
# 7 GLN HA 62 ALA QB 4.50 (# 1360:25 Unique 2.15, 3.33 A)
&rst
ixpk= 1360, nxpk= 25, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1035,1036,1037,
&end
#
# 56 PHE QD 62 ALA QB 4.50 (# 1362:25 Unique 2.49, 4.73 A)
&rst
ixpk= 1362, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 945, 953,
igr2=1035,1036,1037,
&end
#
# 63 SER HN 62 ALA QB 4.50 (# 1363:25 Unique 2.33, 3.28 A)
&rst
ixpk= 1363, nxpk= 25, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1035,1036,1037,
&end
#
# 62 ALA HN 62 ALA QB 3.50 (# 1364:25 Unique 2.41, 2.88 A)
&rst
ixpk= 1364, nxpk= 25, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1035,1036,1037,
&end
#
# 59 ILE QG2 62 ALA QB 5.50 (# 1365:25 Unique 4.03, 5.98 A)
&rst
ixpk= 1365, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1000,1001,1002,
igr2=1035,1036,1037,
&end
#
# 30 ILE HG1- 29 ALA QB 5.50 (# 1366:25 Unique 2.20, 4.43 A)
&rst
ixpk= 1366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 515, 516,
igr2= 499, 500, 501,
&end
#
# 0 AMB 25-3:1367 62 ALA QB 5.50 (# 1367:25 Single Ambig)
&rst
ixpk= 1367, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1080,1081, 141, 142,
igr2=1035,1036,1037,
&end
#
# 0 AMB 25-3:1368 63 SER HA 3.50 (# 1368:25 Single Ambig)
&rst
ixpk= 1368, nxpk= 25, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1045,1046,1045,1046,
&end
#
# 0 AMB 25-3:1370 63 SER HA 5.50 (# 1370:25 Single Ambig)
&rst
ixpk= 1370, nxpk= 25, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1070,1071,1072,1083,
&end
#
# 66 LEU MDX 63 SER HA 5.50 (# 1371:25 Unique 3.08, 4.94 A)
&rst
ixpk= 1371, nxpk= 25, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1085,1086,1087,1089,1090,1091,
&end
#
# 66 LEU HB+ 63 SER HA 5.50 (# 1372:25 Unique 1.99, 2.92 A)
&rst
ixpk= 1372, nxpk= 25, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1080,1081,
&end
#
# 63 SER HN 0 AMB 25-1:1376 3.50 (# 1376:25 Single Ambig)
&rst
ixpk= 1376, nxpk= 25, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1045,1046,1045,1046,
&end
#
# 64 ASN HN 0 AMB 25-1:1377 3.50 (# 1377:25 Single Ambig)
&rst
ixpk= 1377, nxpk= 25, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1045,1046,1045,1046,
&end
#
# 63 SER HA 0 AMB 25-1:1379 3.50 (# 1379:25 Single Ambig)
&rst
ixpk= 1379, nxpk= 25, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1045,1046,1045,1046,
&end
#
# 64 ASN HN 64 ASN HA 3.50 (# 1384:25 Unique 2.83, 2.86 A)
&rst
ixpk= 1384, nxpk= 25, iat=1052,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HN 64 ASN HA 5.50 (# 1385:25 Unique 4.50, 4.64 A)
&rst
ixpk= 1385, nxpk= 25, iat=1076,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 THR HN 64 ASN HA 5.50 (# 1386:25 Unique 3.61, 3.87 A)
&rst
ixpk= 1386, nxpk= 25, iat=1119,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 SER HA 64 ASN HA 5.50 (# 1390:25 Unique 4.69, 5.39 A)
&rst
ixpk= 1390, nxpk= 25, iat=1022,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1391 64 ASN HA 2.80 (# 1391:25 Single Ambig)
&rst
ixpk= 1391, nxpk= 25, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1056,1057,1056,1057,
&end
#
# 67 ARG HG- 64 ASN HA 5.50 (# 1392:25 Unique 4.12, 5.37 A)
&rst
ixpk= 1392, nxpk= 25, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1102,1103,
&end
#
# 67 ARG HB+ 64 ASN HA 5.50 (# 1393:25 Unique 2.51, 3.59 A)
&rst
ixpk= 1393, nxpk= 25, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1099,1100,
&end
#
# 67 ARG HN 64 ASN HA 5.50 (# 1394:25 Unique 3.41, 3.64 A)
&rst
ixpk= 1394, nxpk= 25, iat=1095,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1395 0 AMB 25-1:1395 5.50 (# 1395:25 Double Ambig)
&rst
ixpk= 1395, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 576, 577, 576, 577,1033,
igr2=1056,1057,1056,1057,1056,1057,
&end
#
# 61 SER HA 0 AMB 25-1:1396 5.50 (# 1396:25 Single Ambig)
&rst
ixpk= 1396, nxpk= 25, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1056,1057,1056,1057,
&end
#
# 64 ASN HA 0 AMB 25-1:1397 2.80 (# 1397:25 Single Ambig)
&rst
ixpk= 1397, nxpk= 25, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1056,1057,1056,1057,
&end
#
# 0 AMB 25-3:1399 0 AMB 25-1:1399 4.50 (# 1399:25 Double Ambig)
&rst
ixpk= 1399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 580, 588, 592,1095, 572,
igr2=1056,1057,1056,1057,1056,1057,1056,1057,1056,1057,
&end
#
# 64 ASN HN 0 AMB 25-1:1400 3.50 (# 1400:25 Single Ambig)
&rst
ixpk= 1400, nxpk= 25, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1056,1057,1056,1057,
&end
#
# 0 AMB 25-3:1401 0 AMB 25-1:1401 4.50 (# 1401:25 Double Ambig)
&rst
ixpk= 1401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1061,1062,1061,1062,
igr2=1056,1057,1056,1057,
&end
#
# 65 ALA HN 0 AMB 25-1:1402 3.50 (# 1402:25 Single Ambig)
&rst
ixpk= 1402, nxpk= 25, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1056,1057,1056,1057,
&end
#
# 0 AMB 25-3:1404 0 AMB 25-1:1404 4.50 (# 1404:25 Double Ambig)
&rst
ixpk= 1404, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1061,1062,1061,1062,
igr2=1056,1057,1056,1057,
&end
#
# 0 AMB 25-3:1405 0 AMB 25-1:1405 4.50 (# 1405:25 Double Ambig)
&rst
ixpk= 1405, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 580, 588, 592,1095, 572,
igr2=1056,1057,1056,1057,1056,1057,1056,1057,1056,1057,
&end
#
# 64 ASN HN 0 AMB 25-1:1406 3.50 (# 1406:25 Single Ambig)
&rst
ixpk= 1406, nxpk= 25, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1056,1057,1056,1057,
&end
#
# 65 ALA HN 0 AMB 25-1:1407 4.50 (# 1407:25 Single Ambig)
&rst
ixpk= 1407, nxpk= 25, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1056,1057,1056,1057,
&end
#
# 64 ASN HA 0 AMB 25-1:1408 3.50 (# 1408:25 Single Ambig)
&rst
ixpk= 1408, nxpk= 25, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1056,1057,1056,1057,
&end
#
# 61 SER HA 0 AMB 25-1:1409 5.50 (# 1409:25 Single Ambig)
&rst
ixpk= 1409, nxpk= 25, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1056,1057,1056,1057,
&end
#
# 0 AMB 25-3:1410 42 ALA QB 4.50 (# 1410:25 Single Ambig)
&rst
ixpk= 1410, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 333, 334, 811, 812, 811, 812,
igr2= 705, 706, 707,
&end
#
# 0 AMB 25-3:1411 42 ALA QB 5.50 (# 1411:25 Single Ambig)
&rst
ixpk= 1411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 687, 309,
igr2= 705, 706, 707,
&end
#
# 9 ILE QD1 65 ALA QB 3.50 (# 1412:25 Unique 2.66, 4.43 A)
&rst
ixpk= 1412, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 144, 145, 146,
igr2=1070,1071,1072,
&end
#
# 9 ILE QG2 65 ALA QB 3.50 (# 1413:25 Unique 3.17, 5.79 A)
&rst
ixpk= 1413, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 137, 138, 139,
igr2=1070,1071,1072,
&end
#
# 0 AMB 25-3:1414 65 ALA QB 3.50 (# 1414:25 Single Ambig)
&rst
ixpk= 1414, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1080,1081, 141, 142,
igr2=1070,1071,1072,
&end
#
# 62 ALA QB 65 ALA QB 5.50 (# 1415:25 Unique 4.48, 6.16 A)
&rst
ixpk= 1415, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1035,1036,1037,
igr2=1070,1071,1072,
&end
#
# 66 LEU HB+ 65 ALA QB 5.50 (# 1416:25 Unique 3.94, 5.47 A)
&rst
ixpk= 1416, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1080,1081,
igr2=1070,1071,1072,
&end
#
# 69 MET HG- 65 ALA QB 3.50 (# 1417:25 Unique 2.79, 4.78 A)
&rst
ixpk= 1417, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1140,1141,
igr2=1070,1071,1072,
&end
#
# 0 AMB 25-3:1418 65 ALA QB 4.50 (# 1418:25 Single Ambig)
&rst
ixpk= 1418, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 576, 577, 528, 529,1056,1057,1056,1057,
igr2=1070,1071,1072,
&end
#
# 0 AMB 25-3:1419 65 ALA QB 3.50 (# 1419:25 Single Ambig)
&rst
ixpk= 1419, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1033, 576, 577,
igr2=1070,1071,1072,
&end
#
# 31 PHE QE 65 ALA QB 4.50 (# 1420:25 Unique 2.30, 6.25 A)
&rst
ixpk= 1420, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 534, 538,
igr2=1070,1071,1072,
&end
#
# 56 PHE QE 65 ALA QB 3.50 (# 1421:25 Unique 2.87, 4.02 A)
&rst
ixpk= 1421, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 947, 951,
igr2=1070,1071,1072,
&end
#
# 56 PHE QD 65 ALA QB 3.50 (# 1422:25 Unique 3.80, 5.02 A)
&rst
ixpk= 1422, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 945, 953,
igr2=1070,1071,1072,
&end
#
# 64 ASN HN 65 ALA QB 5.50 (# 1423:25 Unique 4.46, 5.44 A)
&rst
ixpk= 1423, nxpk= 25, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1070,1071,1072,
&end
#
# 31 PHE QD 65 ALA QB 3.50 (# 1424:25 Unique 2.30, 5.40 A)
&rst
ixpk= 1424, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 532, 540,
igr2=1070,1071,1072,
&end
#
# 0 AMB 25-3:1425 65 ALA QB 5.50 (# 1425:25 Single Ambig)
&rst
ixpk= 1425, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1061,1062,1133,
igr2=1070,1071,1072,
&end
#
# 0 AMB 25-3:1426 65 ALA QB 2.80 (# 1426:25 Single Ambig)
&rst
ixpk= 1426, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1076,1066,
igr2=1070,1071,1072,
&end
#
# 0 AMB 25-3:1427 65 ALA QB 5.50 (# 1427:25 Single Ambig)
&rst
ixpk= 1427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 574,1054,
igr2=1070,1071,1072,
&end
#
# 81 ILE QG2 66 LEU HA 4.50 (# 1428:25 Unique 2.31, 3.79 A)
&rst
ixpk= 1428, nxpk= 25, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1337,1338,1339,
&end
#
# 0 AMB 25-3:1429 66 LEU HA 4.50 (# 1429:25 Single Ambig)
&rst
ixpk= 1429, nxpk= 25, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1344,1345,1346, 137, 138, 139,
&end
#
# 66 LEU HG 66 LEU HA 4.50 (# 1430:25 Unique 2.30, 2.57 A)
&rst
ixpk= 1430, nxpk= 25, iat=1083,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HB- 66 LEU HA 4.50 (# 1431:25 Unique 2.50, 2.82 A)
&rst
ixpk= 1431, nxpk= 25, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1080,1081,
&end
#
# 0 AMB 25-3:1432 66 LEU HA 5.50 (# 1432:25 Single Ambig)
&rst
ixpk= 1432, nxpk= 25, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1080,1081,1335,
&end
#
# 66 LEU HN 66 LEU HA 5.50 (# 1433:25 Unique 2.59, 2.78 A)
&rst
ixpk= 1433, nxpk= 25, iat=1076,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HN 66 LEU HB- 4.50 (# 1435:25 Unique 2.03, 2.46 A)
&rst
ixpk= 1435, nxpk= 25, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1080,1081,
&end
#
# 66 LEU HN 66 LEU HB+ 4.50 (# 1436:25 Unique 2.03, 2.46 A)
&rst
ixpk= 1436, nxpk= 25, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1080,1081,
&end
#
# 66 LEU HA 66 LEU HB- 4.50 (# 1437:25 Unique 2.50, 2.82 A)
&rst
ixpk= 1437, nxpk= 25, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1080,1081,
&end
#
# 66 LEU HA 66 LEU HB+ 5.50 (# 1438:25 Unique 2.50, 2.82 A)
&rst
ixpk= 1438, nxpk= 25, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1080,1081,
&end
#
# 66 LEU MDY 66 LEU HB+ 5.50 (# 1439:25 Unique 2.25, 3.32 A)
&rst
ixpk= 1439, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1080,1081,
&end
#
# 66 LEU MDY 66 LEU HB- 5.50 (# 1440:25 Unique 2.25, 3.32 A)
&rst
ixpk= 1440, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1080,1081,
&end
#
# 66 LEU MDX 66 LEU HB- 5.50 (# 1441:25 Unique 2.25, 3.32 A)
&rst
ixpk= 1441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1080,1081,
&end
#
# 66 LEU MDX 66 LEU HB+ 5.50 (# 1442:25 Unique 2.25, 3.32 A)
&rst
ixpk= 1442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1080,1081,
&end
#
# 65 ALA HA 66 LEU HB+ 5.50 (# 1443:25 Unique 5.54, 5.83 A)
&rst
ixpk= 1443, nxpk= 25, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1080,1081,
&end
#
# 65 ALA HA 66 LEU HB- 5.50 (# 1444:25 Unique 5.54, 5.83 A)
&rst
ixpk= 1444, nxpk= 25, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1080,1081,
&end
#
# 66 LEU HA 66 LEU HG 4.50 (# 1445:25 Unique 2.30, 2.57 A)
&rst
ixpk= 1445, nxpk= 25, iat=1078,1083, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1446 66 LEU HG 4.50 (# 1446:25 Single Ambig)
&rst
ixpk= 1446, nxpk= 25, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1080,1081,1335,
&end
#
# 66 LEU MDY 66 LEU HG 3.50 (# 1447:25 Unique 2.11, 2.65 A)
&rst
ixpk= 1447, nxpk= 25, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1085,1086,1087,1089,1090,1091,
&end
#
# 66 LEU MDX 66 LEU HG 5.50 (# 1448:25 Unique 2.11, 2.65 A)
&rst
ixpk= 1448, nxpk= 25, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1085,1086,1087,1089,1090,1091,
&end
#
# 81 ILE QG2 66 LEU HG 4.50 (# 1449:25 Unique 1.93, 2.89 A)
&rst
ixpk= 1449, nxpk= 25, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1337,1338,1339,
&end
#
# 66 LEU HN 66 LEU HG 5.50 (# 1450:25 Unique 4.04, 4.19 A)
&rst
ixpk= 1450, nxpk= 25, iat=1076,1083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1451 66 LEU HG 5.50 (# 1451:25 Single Ambig)
&rst
ixpk= 1451, nxpk= 25, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1360,1041,
&end
#
# 9 ILE QD1 66 LEU MDY 4.50 (# 1454:25 Unique 3.82, 5.90 A)
&rst
ixpk= 1454, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 144, 145, 146,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 81 ILE QG2 66 LEU MDY 4.50 (# 1455:25 Unique 2.75, 4.76 A)
&rst
ixpk= 1455, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1337,1338,1339,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 66 LEU HG 66 LEU MDY 3.50 (# 1456:25 Unique 2.11, 2.65 A)
&rst
ixpk= 1456, nxpk= 25, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 66 LEU HB- 66 LEU MDY 4.50 (# 1457:25 Unique 2.25, 3.32 A)
&rst
ixpk= 1457, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1080,1081,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 0 AMB 25-3:1458 66 LEU MDY 3.50 (# 1458:25 Single Ambig)
&rst
ixpk= 1458, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1335,1080,1081,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 0 AMB 25-3:1459 66 LEU MDY 5.50 (# 1459:25 Single Ambig)
&rst
ixpk= 1459, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 135,1102,1103,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 67 ARG HG+ 66 LEU MDY 4.50 (# 1460:25 Unique 2.86, 6.36 A)
&rst
ixpk= 1460, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1102,1103,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 0 AMB 25-3:1461 66 LEU MDY 3.50 (# 1461:25 Single Ambig)
&rst
ixpk= 1461, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1097,1045,1046,1045,1046,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 0 AMB 25-3:1462 66 LEU MDY 4.50 (# 1462:25 Single Ambig)
&rst
ixpk= 1462, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1352,1043,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 83 TYR QD 66 LEU MDY 5.50 (# 1464:25 Unique 3.02, 6.71 A)
&rst
ixpk= 1464, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1368,1377,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 70 GLN HE2- 66 LEU MDY 4.50 (# 1465:25 Unique 1.99, 4.95 A)
&rst
ixpk= 1465, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1162,1163,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 67 ARG HN 66 LEU MDY 4.50 (# 1466:25 Unique 3.32, 4.81 A)
&rst
ixpk= 1466, nxpk= 25, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 70 GLN HE2+ 66 LEU MDY 4.50 (# 1467:25 Unique 1.99, 4.95 A)
&rst
ixpk= 1467, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1162,1163,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 66 LEU HN 66 LEU MDY 5.50 (# 1468:25 Unique 4.17, 5.18 A)
&rst
ixpk= 1468, nxpk= 25, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 0 AMB 25-3:1472 66 LEU MDY 4.50 (# 1472:25 Single Ambig)
&rst
ixpk= 1472, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 137, 138, 139,1344,1345,1346,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 9 ILE QD1 66 LEU MDX 4.50 (# 1473:25 Unique 3.82, 5.90 A)
&rst
ixpk= 1473, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 144, 145, 146,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 81 ILE QG2 66 LEU MDX 3.50 (# 1475:25 Unique 2.75, 4.76 A)
&rst
ixpk= 1475, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1337,1338,1339,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 0 AMB 25-3:1476 66 LEU MDX 3.50 (# 1476:25 Single Ambig)
&rst
ixpk= 1476, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 137, 138, 139,1344,1345,1346,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 66 LEU HG 66 LEU MDX 3.50 (# 1477:25 Unique 2.11, 2.65 A)
&rst
ixpk= 1477, nxpk= 25, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 66 LEU HB- 66 LEU MDX 4.50 (# 1478:25 Unique 2.25, 3.32 A)
&rst
ixpk= 1478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1080,1081,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 0 AMB 25-3:1479 66 LEU MDX 3.50 (# 1479:25 Single Ambig)
&rst
ixpk= 1479, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1335,1080,1081,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 66 LEU HA 66 LEU MDX 4.50 (# 1480:25 Unique 2.56, 4.10 A)
&rst
ixpk= 1480, nxpk= 25, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 82 ALA HA 66 LEU MDX 3.50 (# 1481:25 Unique 2.16, 3.90 A)
&rst
ixpk= 1481, nxpk= 25, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 81 ILE HA 66 LEU MDX 5.50 (# 1483:25 Unique 4.41, 6.04 A)
&rst
ixpk= 1483, nxpk= 25, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 83 TYR QD 66 LEU MDX 4.50 (# 1484:25 Unique 3.02, 6.71 A)
&rst
ixpk= 1484, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1368,1377,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 70 GLN HE2+ 66 LEU MDX 5.50 (# 1485:25 Unique 1.99, 4.95 A)
&rst
ixpk= 1485, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1162,1163,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 83 TYR HN 66 LEU MDX 5.50 (# 1486:25 Unique 2.81, 5.03 A)
&rst
ixpk= 1486, nxpk= 25, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 66 LEU HN 66 LEU MDX 4.50 (# 1487:25 Unique 4.17, 5.18 A)
&rst
ixpk= 1487, nxpk= 25, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1085,1086,1087,1089,1090,1091,
&end
#
# 0 AMB 25-3:1488 67 ARG HA 5.50 (# 1488:25 Single Ambig)
&rst
ixpk= 1488, nxpk= 25, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1105,1106,1105,1106,
&end
#
# 67 ARG HB+ 67 ARG HA 2.80 (# 1489:25 Unique 2.28, 2.78 A)
&rst
ixpk= 1489, nxpk= 25, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1099,1100,
&end
#
# 67 ARG HG- 67 ARG HA 4.50 (# 1490:25 Unique 2.26, 2.72 A)
&rst
ixpk= 1490, nxpk= 25, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1102,1103,
&end
#
# 0 AMB 25-3:1491 67 ARG HA 3.50 (# 1491:25 Single Ambig)
&rst
ixpk= 1491, nxpk= 25, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1102,1103,1099,1100,
&end
#
# 66 LEU MDY 67 ARG HA 3.50 (# 1492:25 Unique 2.99, 5.11 A)
&rst
ixpk= 1492, nxpk= 25, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1085,1086,1087,1089,1090,1091,
&end
#
# 64 ASN HA 67 ARG HA 7.00 (# 1493:25 Unique 5.39, 5.70 A)
&rst
ixpk= 1493, nxpk= 25, iat=1054,1097, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 67 ARG HN 67 ARG HA 4.50 (# 1494:25 Unique 2.67, 2.83 A)
&rst
ixpk= 1494, nxpk= 25, iat=1095,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1495 67 ARG HA 5.50 (# 1495:25 Single Ambig)
&rst
ixpk= 1495, nxpk= 25, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1162,1163,1119,
&end
#
# 3 MET HN 67 ARG HA 5.50 (# 1496:25 Unique 5.32, 5.59 A)
&rst
ixpk= 1496, nxpk= 25, iat= 36,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1498 0 AMB 25-1:1498 3.50 (# 1498:25 Double Ambig)
&rst
ixpk= 1498, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 834, 835, 834, 835, 834, 835,1105,1106,1105,1106,
1105,1106,
igr2= 828, 829, 828, 829, 828, 829,1099,1100,1099,1100,
25, 26,
&end
#
# 0 AMB 25-3:1499 67 ARG HB- 4.50 (# 1499:25 Single Ambig)
&rst
ixpk= 1499, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1105,1106,1105,1106,
igr2=1099,1100,
&end
#
# 0 AMB 25-3:1500 0 AMB 25-1:1500 4.50 (# 1500:25 Double Ambig)
&rst
ixpk= 1500, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1097, 850, 851,1045,1046,
igr2=1099,1100, 828, 829, 828, 829,1099,1100,
&end
#
# 67 ARG HA 67 ARG HB- 3.50 (# 1501:25 Unique 2.28, 2.78 A)
&rst
ixpk= 1501, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1099,1100,
&end
#
# 0 AMB 25-3:1502 0 AMB 25-1:1502 3.50 (# 1502:25 Double Ambig)
&rst
ixpk= 1502, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 824,1095,
igr2= 828, 829, 828, 829,1099,1100,
&end
#
# 67 ARG HN 67 ARG HB- 4.50 (# 1503:25 Unique 2.21, 2.69 A)
&rst
ixpk= 1503, nxpk= 25, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1099,1100,
&end
#
# 68 THR HN 67 ARG HB+ 5.50 (# 1504:25 Unique 1.98, 3.21 A)
&rst
ixpk= 1504, nxpk= 25, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1099,1100,
&end
#
# 68 THR HN 67 ARG HB- 5.50 (# 1505:25 Unique 1.98, 3.21 A)
&rst
ixpk= 1505, nxpk= 25, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1099,1100,
&end
#
# 64 ASN HA 67 ARG HB- 5.50 (# 1506:25 Unique 2.51, 3.59 A)
&rst
ixpk= 1506, nxpk= 25, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1099,1100,
&end
#
# 0 AMB 25-3:1507 0 AMB 25-1:1507 3.50 (# 1507:25 Double Ambig)
&rst
ixpk= 1507, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 23, 826,1054,
igr2= 25, 26, 828, 829, 828, 829,1099,1100,
&end
#
# 70 GLN HB- 67 ARG HG+ 5.50 (# 1509:25 Unique 4.35, 6.23 A)
&rst
ixpk= 1509, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1154,1155,
igr2=1102,1103,
&end
#
# 70 GLN HB- 67 ARG HG- 5.50 (# 1510:25 Unique 4.35, 6.23 A)
&rst
ixpk= 1510, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1154,1155,
igr2=1102,1103,
&end
#
# 0 AMB 25-3:1511 0 AMB 25-1:1511 2.80 (# 1511:25 Double Ambig)
&rst
ixpk= 1511, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1105,1106,1105,1106, 834, 835, 834, 835,
igr2=1102,1103,1102,1103, 831, 832, 831, 832,
&end
#
# 0 AMB 25-3:1512 67 ARG HG- 3.50 (# 1512:25 Single Ambig)
&rst
ixpk= 1512, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1105,1106,1105,1106,
igr2=1102,1103,
&end
#
# 0 AMB 25-3:1513 67 ARG HG- 4.50 (# 1513:25 Single Ambig)
&rst
ixpk= 1513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1097,1045,1046,
igr2=1102,1103,
&end
#
# 0 AMB 25-3:1514 0 AMB 25-1:1514 4.50 (# 1514:25 Double Ambig)
&rst
ixpk= 1514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1=1097,1045,1046,1045,1046,1015,1016,
igr2=1102,1103, 76, 77, 76, 77, 76, 77,
&end
#
# 0 AMB 25-3:1515 0 AMB 25-1:1515 4.50 (# 1515:25 Double Ambig)
&rst
ixpk= 1515, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 73, 74,1015,1016,
igr2= 76, 77, 76, 77,
&end
#
# 0 AMB 25-3:1518 0 AMB 25-1:1518 5.50 (# 1518:25 Double Ambig)
&rst
ixpk= 1518, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1043, 55,
igr2=1102,1103, 76, 77, 76, 77,
&end
#
# 0 AMB 25-3:1519 0 AMB 25-1:1519 5.50 (# 1519:25 Double Ambig)
&rst
ixpk= 1519, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1054, 88,
igr2=1102,1103, 76, 77,
&end
#
# 67 ARG HN 67 ARG HG+ 5.50 (# 1520:25 Unique 2.28, 3.80 A)
&rst
ixpk= 1520, nxpk= 25, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1102,1103,
&end
#
# 67 ARG HN 67 ARG HG- 5.50 (# 1521:25 Unique 2.28, 3.80 A)
&rst
ixpk= 1521, nxpk= 25, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1102,1103,
&end
#
# 0 AMB 25-3:1522 0 AMB 25-1:1522 5.50 (# 1522:25 Double Ambig)
&rst
ixpk= 1522, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 43, 44,1157,1158,
igr2=1102,1103,1102,1103,
&end
#
# 0 AMB 25-3:1523 67 ARG HG- 5.50 (# 1523:25 Single Ambig)
&rst
ixpk= 1523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 43, 44,1157,1158,
igr2=1102,1103,
&end
#
# 0 AMB 25-3:1524 46 LEU HG 2.80 (# 1524:25 Single Ambig)
&rst
ixpk= 1524, nxpk= 25, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 779, 780, 781, 775, 776, 777,
&end
#
# 3 MET HG- 0 AMB 25-1:1527 5.50 (# 1527:25 Single Ambig)
&rst
ixpk= 1527, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 43, 44,
igr2=1105,1106,1105,1106,
&end
#
# 0 AMB 25-3:1528 0 AMB 25-1:1528 5.50 (# 1528:25 Double Ambig)
&rst
ixpk= 1528, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 775, 776, 777, 779, 780, 781,
igr2= 834, 835, 834, 835, 834, 835,
&end
#
# 64 ASN HA 0 AMB 25-1:1531 5.50 (# 1531:25 Single Ambig)
&rst
ixpk= 1531, nxpk= 25, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1105,1106,1105,1106,
&end
#
# 0 AMB 25-3:1535 0 AMB 25-1:1535 5.50 (# 1535:25 Double Ambig)
&rst
ixpk= 1535, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 824,1095, 807,
igr2= 834, 835, 834, 835,1105,1106,1105,1106, 834, 835,
&end
#
# 68 THR QG2 68 THR HA 2.80 (# 1536:25 Unique 2.45, 3.11 A)
&rst
ixpk= 1536, nxpk= 25, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1125,1126,1127,
&end
#
# 68 THR HB 68 THR HA 3.50 (# 1538:25 Unique 3.04, 3.05 A)
&rst
ixpk= 1538, nxpk= 25, iat=1123,1121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 THR HN 68 THR HA 3.50 (# 1541:25 Unique 2.80, 2.87 A)
&rst
ixpk= 1541, nxpk= 25, iat=1119,1121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1542 68 THR HA 7.00 (# 1542:25 Single Ambig)
&rst
ixpk= 1542, nxpk= 25, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1076,1066,
&end
#
# 67 ARG HG+ 68 THR HA 7.00 (# 1543:25 Unique 3.53, 5.56 A)
&rst
ixpk= 1543, nxpk= 25, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1102,1103,
&end
#
# 102 PRO HA 97 THR HB 7.00 (# 1545:25 Unique 3.52, 5.61 A)
&rst
ixpk= 1545, nxpk= 25, iat=1680,1579, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 97 THR QG2 97 THR HB 3.50 (# 1550:25 Unique 2.06, 2.66 A)
&rst
ixpk= 1550, nxpk= 25, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1581,1582,1583,
&end
#
# 67 ARG HB- 68 THR QG2 7.00 (# 1552:25 Unique 5.71, 7.02 A)
&rst
ixpk= 1552, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1099,1100,
igr2=1125,1126,1127,
&end
#
# 69 MET HG- 68 THR QG2 4.50 (# 1554:25 Unique 3.52, 5.32 A)
&rst
ixpk= 1554, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1140,1141,
igr2=1125,1126,1127,
&end
#
# 69 MET HG+ 68 THR QG2 4.50 (# 1555:25 Unique 3.52, 5.32 A)
&rst
ixpk= 1555, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1140,1141,
igr2=1125,1126,1127,
&end
#
# 68 THR HB 68 THR QG2 3.50 (# 1556:25 Unique 2.41, 2.67 A)
&rst
ixpk= 1556, nxpk= 25, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1125,1126,1127,
&end
#
# 68 THR HA 68 THR QG2 2.80 (# 1557:25 Unique 2.45, 3.11 A)
&rst
ixpk= 1557, nxpk= 25, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1125,1126,1127,
&end
#
# 70 GLN HN 68 THR QG2 5.50 (# 1559:25 Unique 5.67, 6.47 A)
&rst
ixpk= 1559, nxpk= 25, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1125,1126,1127,
&end
#
# 34 PHE QE 68 THR QG2 3.50 (# 1560:25 Unique 2.42, 4.81 A)
&rst
ixpk= 1560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 582, 586,
igr2=1125,1126,1127,
&end
#
# 68 THR HN 68 THR QG2 4.50 (# 1561:25 Unique 4.41, 4.54 A)
&rst
ixpk= 1561, nxpk= 25, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1125,1126,1127,
&end
#
# 81 ILE QD1 69 MET HA 4.50 (# 1567:25 Unique 4.19, 5.01 A)
&rst
ixpk= 1567, nxpk= 25, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1344,1345,1346,
&end
#
# 0 AMB 25-3:1568 39 ASP HA 4.50 (# 1568:25 Single Ambig)
&rst
ixpk= 1568, nxpk= 25, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 644, 645, 646, 648, 649, 650, 679, 680, 681, 691,
692, 693, 695, 696, 697, 672, 673, 674,
&end
#
# 37 ILE QG2 39 ASP HA 5.50 (# 1569:25 Unique 3.40, 4.10 A)
&rst
ixpk= 1569, nxpk= 25, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 622, 623, 624,
&end
#
# 0 AMB 25-3:1570 0 AMB 25-1:1570 5.50 (# 1570:25 Double Ambig)
&rst
ixpk= 1570, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1125,1126,1127, 642, 639, 640, 928, 929,
igr2=1135, 656,
&end
#
# 0 AMB 25-3:1571 39 ASP HA 5.50 (# 1571:25 Single Ambig)
&rst
ixpk= 1571, nxpk= 25, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 676, 677, 676, 677, 670,
&end
#
# 69 MET HB+ 69 MET HA 4.50 (# 1572:25 Unique 2.44, 2.77 A)
&rst
ixpk= 1572, nxpk= 25, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1137,1138,
&end
#
# 0 AMB 25-3:1573 69 MET HA 5.50 (# 1573:25 Single Ambig)
&rst
ixpk= 1573, nxpk= 25, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1157,1158,1195,1196,
&end
#
# 39 ASP HB+ 39 ASP HA 4.50 (# 1574:25 Unique 2.49, 2.78 A)
&rst
ixpk= 1574, nxpk= 25, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 658, 659,
&end
#
# 72 PHE HB- 69 MET HA 4.50 (# 1575:25 Unique 2.33, 2.94 A)
&rst
ixpk= 1575, nxpk= 25, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1178,1179,
&end
#
# 66 LEU HA 69 MET HA 7.00 (# 1576:25 Unique 6.00, 6.18 A)
&rst
ixpk= 1576, nxpk= 25, iat=1078,1135, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:1577 39 ASP HA 5.50 (# 1577:25 Single Ambig)
&rst
ixpk= 1577, nxpk= 25, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 904, 687,
&end
#
# 55 ILE HA 39 ASP HA 7.00 (# 1578:25 Unique 6.97, 7.01 A)
&rst
ixpk= 1578, nxpk= 25, iat= 920, 656, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 ILE HN 39 ASP HA 4.50 (# 1579:25 Unique 2.46, 2.50 A)
&rst
ixpk= 1579, nxpk= 25, iat= 666, 656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 ILE QD1 69 MET HB+ 4.50 (# 1580:25 Unique 2.33, 3.21 A)
&rst
ixpk= 1580, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1344,1345,1346,
igr2=1137,1138,
&end
#
# 81 ILE QD1 69 MET HB- 5.50 (# 1581:25 Unique 2.33, 3.21 A)
&rst
ixpk= 1581, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1344,1345,1346,
igr2=1137,1138,
&end
#
# 9 ILE QD1 69 MET HB- 5.50 (# 1582:25 Unique 4.21, 5.76 A)
&rst
ixpk= 1582, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 144, 145, 146,
igr2=1137,1138,
&end
#
# 70 GLN HN 69 MET HB- 5.50 (# 1583:25 Unique 2.90, 3.82 A)
&rst
ixpk= 1583, nxpk= 25, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1137,1138,
&end
#
# 70 GLN HN 69 MET HB+ 5.50 (# 1584:25 Unique 2.90, 3.82 A)
&rst
ixpk= 1584, nxpk= 25, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1137,1138,
&end
#
# 69 MET HN 69 MET HB- 5.50 (# 1585:25 Unique 2.25, 3.02 A)
&rst
ixpk= 1585, nxpk= 25, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1137,1138,
&end
#
# 69 MET HN 69 MET HB+ 5.50 (# 1586:25 Unique 2.25, 3.02 A)
&rst
ixpk= 1586, nxpk= 25, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1137,1138,
&end
#
# 0 AMB 25-3:1588 0 AMB 25-1:1588 2.80 (# 1588:25 Double Ambig)
&rst
ixpk= 1588, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 317, 318, 317, 318, 432, 433,1144,1145,1146,
igr2= 311, 312, 311, 312, 426, 427,1140,1141,
&end
#
# 69 MET HB+ 69 MET HG- 2.80 (# 1589:25 Unique 2.35, 2.60 A)
&rst
ixpk= 1589, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1137,1138,
igr2=1140,1141,
&end
#
# 0 AMB 25-3:1590 0 AMB 25-1:1590 5.50 (# 1590:25 Double Ambig)
&rst
ixpk= 1590, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 482, 491,1150,
igr2= 426, 427,1140,1141,
&end
#
# 0 AMB 25-3:1591 0 AMB 25-1:1591 4.50 (# 1591:25 Double Ambig)
&rst
ixpk= 1591, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 422, 580, 588,
igr2= 426, 427,1140,1141,
&end
#
# 0 AMB 25-3:1592 0 AMB 25-1:1592 5.50 (# 1592:25 Double Ambig)
&rst
ixpk= 1592, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 307, 444,
igr2= 311, 312, 426, 427,
&end
#
# 0 AMB 25-3:1593 0 AMB 25-1:1593 5.50 (# 1593:25 Double Ambig)
&rst
ixpk= 1593, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 400, 524, 544,1174,
igr2= 426, 427,1140,1141, 311, 312,
&end
#
# 81 ILE QD1 70 GLN HA 4.50 (# 1594:25 Unique 2.31, 3.51 A)
&rst
ixpk= 1594, nxpk= 25, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1344,1345,1346,
&end
#
# 70 GLN HB- 70 GLN HA 4.50 (# 1595:25 Unique 2.13, 2.68 A)
&rst
ixpk= 1595, nxpk= 25, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1154,1155,
&end
#
# 70 GLN HG- 70 GLN HA 4.50 (# 1596:25 Unique 2.40, 3.43 A)
&rst
ixpk= 1596, nxpk= 25, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 70 GLN HB+ 70 GLN HA 5.50 (# 1597:25 Unique 2.13, 2.68 A)
&rst
ixpk= 1597, nxpk= 25, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1154,1155,
&end
#
# 70 GLN HN 70 GLN HA 5.50 (# 1598:25 Unique 2.72, 2.81 A)
&rst
ixpk= 1598, nxpk= 25, iat=1150,1152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLY HN 70 GLN HA 3.50 (# 1599:25 Unique 1.97, 2.19 A)
&rst
ixpk= 1599, nxpk= 25, iat=1167,1152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 GLN HG+ 70 GLN HB+ 4.50 (# 1601:25 Unique 2.24, 2.65 A)
&rst
ixpk= 1601, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1157,1158,
igr2=1154,1155,
&end
#
# 70 GLN HG+ 70 GLN HB- 4.50 (# 1602:25 Unique 2.24, 2.65 A)
&rst
ixpk= 1602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1157,1158,
igr2=1154,1155,
&end
#
# 66 LEU MDY 70 GLN HB- 5.50 (# 1603:25 Unique 2.32, 6.15 A)
&rst
ixpk= 1603, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1154,1155,
&end
#
# 66 LEU MDY 70 GLN HB+ 5.50 (# 1604:25 Unique 2.32, 6.15 A)
&rst
ixpk= 1604, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1154,1155,
&end
#
# 70 GLN HA 70 GLN HB- 5.50 (# 1605:25 Unique 2.13, 2.68 A)
&rst
ixpk= 1605, nxpk= 25, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1154,1155,
&end
#
# 70 GLN HA 70 GLN HB+ 5.50 (# 1606:25 Unique 2.13, 2.68 A)
&rst
ixpk= 1606, nxpk= 25, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1154,1155,
&end
#
# 70 GLN HN 70 GLN HB+ 4.50 (# 1608:25 Unique 2.06, 2.83 A)
&rst
ixpk= 1608, nxpk= 25, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1154,1155,
&end
#
# 70 GLN HN 70 GLN HB- 4.50 (# 1609:25 Unique 2.06, 2.83 A)
&rst
ixpk= 1609, nxpk= 25, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1154,1155,
&end
#
# 82 ALA HN 70 GLN HB- 7.00 (# 1610:25 Unique 5.44, 7.44 A)
&rst
ixpk= 1610, nxpk= 25, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1154,1155,
&end
#
# 82 ALA HA 70 GLN HB+ 7.00 (# 1611:25 Unique 5.32, 7.19 A)
&rst
ixpk= 1611, nxpk= 25, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1154,1155,
&end
#
# 67 ARG HG- 70 GLN HG- 4.50 (# 1612:25 Unique 4.12, 5.85 A)
&rst
ixpk= 1612, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1102,1103,
igr2=1157,1158,
&end
#
# 67 ARG HG- 70 GLN HG+ 5.50 (# 1613:25 Unique 4.12, 5.85 A)
&rst
ixpk= 1613, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1102,1103,
igr2=1157,1158,
&end
#
# 70 GLN HE2- 70 GLN HG+ 4.50 (# 1614:25 Unique 2.26, 3.34 A)
&rst
ixpk= 1614, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1162,1163,
igr2=1157,1158,
&end
#
# 70 GLN HE2- 70 GLN HG- 5.50 (# 1615:25 Unique 2.26, 3.34 A)
&rst
ixpk= 1615, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1162,1163,
igr2=1157,1158,
&end
#
# 70 GLN HE2+ 70 GLN HG+ 5.50 (# 1616:25 Unique 2.26, 3.34 A)
&rst
ixpk= 1616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1162,1163,
igr2=1157,1158,
&end
#
# 70 GLN HE2+ 70 GLN HG- 5.50 (# 1617:25 Unique 2.26, 3.34 A)
&rst
ixpk= 1617, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1162,1163,
igr2=1157,1158,
&end
#
# 70 GLN HN 70 GLN HG+ 5.50 (# 1618:25 Unique 2.12, 3.33 A)
&rst
ixpk= 1618, nxpk= 25, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1157,1158,
&end
#
# 70 GLN HA 70 GLN HG+ 5.50 (# 1619:25 Unique 2.40, 3.43 A)
&rst
ixpk= 1619, nxpk= 25, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1157,1158,
&end
#
# 73 PRO HD+ 72 PHE HA 3.50 (# 1623:25 Unique 2.12, 2.39 A)
&rst
ixpk= 1623, nxpk= 25, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1195,1196,
&end
#
# 72 PHE HB- 72 PHE HA 4.50 (# 1624:25 Unique 2.47, 2.77 A)
&rst
ixpk= 1624, nxpk= 25, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1178,1179,
&end
#
# 73 PRO HD- 72 PHE HA 3.50 (# 1625:25 Unique 2.12, 2.39 A)
&rst
ixpk= 1625, nxpk= 25, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1195,1196,
&end
#
# 72 PHE QD 72 PHE HA 4.50 (# 1627:25 Unique 2.60, 3.52 A)
&rst
ixpk= 1627, nxpk= 25, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1182,1190,
&end
#
# 72 PHE HN 72 PHE HA 5.50 (# 1628:25 Unique 2.85, 2.87 A)
&rst
ixpk= 1628, nxpk= 25, iat=1174,1176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 MET QE 72 PHE HB+ 5.50 (# 1630:25 Unique 2.49, 3.90 A)
&rst
ixpk= 1630, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1144,1145,1146,
igr2=1178,1179,
&end
#
# 69 MET QE 72 PHE HB- 5.50 (# 1631:25 Unique 2.49, 3.90 A)
&rst
ixpk= 1631, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1144,1145,1146,
igr2=1178,1179,
&end
#
# 72 PHE HA 72 PHE HB- 4.50 (# 1634:25 Unique 2.47, 2.77 A)
&rst
ixpk= 1634, nxpk= 25, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1178,1179,
&end
#
# 0 AMB 25-3:1635 0 AMB 25-1:1635 4.50 (# 1635:25 Double Ambig)
&rst
ixpk= 1635, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1182,1190, 945, 953,
igr2=1178,1179, 941, 942,
&end
#
# 72 PHE QD 72 PHE HB+ 4.50 (# 1636:25 Unique 2.23, 3.09 A)
&rst
ixpk= 1636, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1182,1190,
igr2=1178,1179,
&end
#
# 72 PHE HN 72 PHE HB- 4.50 (# 1637:25 Unique 2.14, 2.50 A)
&rst
ixpk= 1637, nxpk= 25, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1178,1179,
&end
#
# 72 PHE HN 72 PHE HB+ 4.50 (# 1638:25 Unique 2.14, 2.50 A)
&rst
ixpk= 1638, nxpk= 25, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1178,1179,
&end
#
# 74 PHE QD 74 PHE HB+ 5.50 (# 1641:25 Unique 2.21, 3.07 A)
&rst
ixpk= 1641, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1216,1224,
igr2=1212,1213,
&end
#
# 74 PHE QD 74 PHE HB- 5.50 (# 1642:25 Unique 2.21, 3.07 A)
&rst
ixpk= 1642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1216,1224,
igr2=1212,1213,
&end
#
# 75 TYR HB- 75 TYR HA 4.50 (# 1645:25 Unique 2.30, 2.82 A)
&rst
ixpk= 1645, nxpk= 25, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1232,1233,
&end
#
# 75 TYR HB+ 75 TYR HA 4.50 (# 1646:25 Unique 2.30, 2.82 A)
&rst
ixpk= 1646, nxpk= 25, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1232,1233,
&end
#
# 77 LYS HA 75 TYR HA 7.00 (# 1648:25 Unique 6.78, 7.01 A)
&rst
ixpk= 1648, nxpk= 25, iat=1263,1230, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 75 TYR QD 75 TYR HA 4.50 (# 1649:25 Unique 2.47, 3.45 A)
&rst
ixpk= 1649, nxpk= 25, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1236,1245,
&end
#
# 76 ASP HN 75 TYR HA 4.50 (# 1650:25 Unique 2.18, 2.81 A)
&rst
ixpk= 1650, nxpk= 25, iat=1249,1230, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 TYR HN 75 TYR HA 5.50 (# 1651:25 Unique 2.80, 2.91 A)
&rst
ixpk= 1651, nxpk= 25, iat=1228,1230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 TYR HA 75 TYR HB+ 4.50 (# 1652:25 Unique 2.30, 2.82 A)
&rst
ixpk= 1652, nxpk= 25, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1232,1233,
&end
#
# 75 TYR QD 75 TYR HB+ 4.50 (# 1653:25 Unique 2.19, 3.08 A)
&rst
ixpk= 1653, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1236,1245,
igr2=1232,1233,
&end
#
# 75 TYR QD 75 TYR HB- 5.50 (# 1654:25 Unique 2.19, 3.08 A)
&rst
ixpk= 1654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1236,1245,
igr2=1232,1233,
&end
#
# 75 TYR QE 75 TYR HB+ 5.50 (# 1655:25 Unique 4.51, 5.09 A)
&rst
ixpk= 1655, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1238,1243,
igr2=1232,1233,
&end
#
# 75 TYR HA 75 TYR HB- 5.50 (# 1656:25 Unique 2.30, 2.82 A)
&rst
ixpk= 1656, nxpk= 25, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1232,1233,
&end
#
# 15 ASN HD2+ 75 TYR HB+ 5.50 (# 1657:25 Unique 2.26, 4.85 A)
&rst
ixpk= 1657, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 246, 247,
igr2=1232,1233,
&end
#
# 90 ILE HN 89 ASP HA 4.50 (# 1660:25 Unique 3.45, 3.60 A)
&rst
ixpk= 1660, nxpk= 25, iat=1460,1450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 PRO HD- 77 LYS HA 3.50 (# 1667:25 Unique 1.97, 2.40 A)
&rst
ixpk= 1667, nxpk= 25, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1284,1285,
&end
#
# 78 PRO HD+ 77 LYS HA 3.50 (# 1668:25 Unique 1.97, 2.40 A)
&rst
ixpk= 1668, nxpk= 25, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1284,1285,
&end
#
# 0 AMB 25-3:1669 77 LYS HA 4.50 (# 1669:25 Single Ambig)
&rst
ixpk= 1669, nxpk= 25, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1268,1269,1268,1269,
&end
#
# 0 AMB 25-3:1670 77 LYS HA 4.50 (# 1670:25 Single Ambig)
&rst
ixpk= 1670, nxpk= 25, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1271,1272,1271,1272,
&end
#
# 77 LYS HB+ 77 LYS HA 4.50 (# 1671:25 Unique 2.33, 2.77 A)
&rst
ixpk= 1671, nxpk= 25, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1265,1266,
&end
#
# 15 ASN HD2- 77 LYS HA 5.50 (# 1672:25 Unique 4.95, 6.34 A)
&rst
ixpk= 1672, nxpk= 25, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 246, 247,
&end
#
# 0 AMB 25-3:1675 77 LYS HB- 4.50 (# 1675:25 Single Ambig)
&rst
ixpk= 1675, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1268,1269,1268,1269,
igr2=1265,1266,
&end
#
# 0 AMB 25-3:1676 0 AMB 25-1:1676 3.50 (# 1676:25 Double Ambig)
&rst
ixpk= 1676, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1268,1269,1268,1269,
igr2=1265,1266,1265,1266,
&end
#
# 0 AMB 25-3:1677 0 AMB 25-1:1677 5.50 (# 1677:25 Double Ambig)
&rst
ixpk= 1677, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 208, 209,1321,1322,1321,1322,
igr2=1265,1266,1265,1266,1265,1266,
&end
#
# 77 LYS HA 77 LYS HB+ 5.50 (# 1680:25 Unique 2.33, 2.77 A)
&rst
ixpk= 1680, nxpk= 25, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1265,1266,
&end
#
# 77 LYS HA 77 LYS HB- 5.50 (# 1681:25 Unique 2.33, 2.77 A)
&rst
ixpk= 1681, nxpk= 25, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1265,1266,
&end
#
# 77 LYS HN 77 LYS HB- 5.50 (# 1682:25 Unique 2.60, 3.36 A)
&rst
ixpk= 1682, nxpk= 25, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1265,1266,
&end
#
# 0 AMB 25-3:1683 77 LYS HB- 5.50 (# 1683:25 Single Ambig)
&rst
ixpk= 1683, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1271,1272,1271,1272,
igr2=1265,1266,
&end
#
# 0 AMB 25-3:1688 0 AMB 25-1:1688 3.50 (# 1688:25 Double Ambig)
&rst
ixpk= 1688, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 743, 744, 743, 744, 342, 343, 413, 414, 413, 414,
1232,1233,
igr2= 737, 738, 336, 337,1268,1269,
&end
#
# 71 GLY HA+ 79 MET HA 5.50 (# 1694:25 Unique 5.17, 6.11 A)
&rst
ixpk= 1694, nxpk= 25, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1169,1170,
&end
#
# 79 MET HG+ 79 MET HA 5.50 (# 1695:25 Unique 2.16, 3.24 A)
&rst
ixpk= 1695, nxpk= 25, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1304,1305,
&end
#
# 0 AMB 25-3:1696 0 AMB 25-1:1696 4.50 (# 1696:25 Double Ambig)
&rst
ixpk= 1696, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 154, 155, 154, 155,1304,1305,
igr2=1383,1299,
&end
#
# 0 AMB 25-3:1697 79 MET HA 4.50 (# 1697:25 Single Ambig)
&rst
ixpk= 1697, nxpk= 25, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1301,1302, 208, 209,1321,1322,
&end
#
# 0 AMB 25-3:1698 79 MET HA 4.50 (# 1698:25 Single Ambig)
&rst
ixpk= 1698, nxpk= 25, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1301,1302,1265,1266,
&end
#
# 80 GLN HN 79 MET HA 3.50 (# 1699:25 Unique 2.22, 2.27 A)
&rst
ixpk= 1699, nxpk= 25, iat=1314,1299, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1700 79 MET HA 4.50 (# 1700:25 Single Ambig)
&rst
ixpk= 1700, nxpk= 25, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1297, 204,
&end
#
# 0 AMB 25-3:1701 79 MET HB- 4.50 (# 1701:25 Single Ambig)
&rst
ixpk= 1701, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1344,1345,1346, 177, 178, 179,
igr2=1301,1302,
&end
#
# 0 AMB 25-3:1702 0 AMB 25-1:1702 4.50 (# 1702:25 Double Ambig)
&rst
ixpk= 1702, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1344,1345,1346, 177, 178, 179,
igr2=1301,1302,1301,1302,
&end
#
# 80 GLN HN 79 MET HB- 5.50 (# 1703:25 Unique 2.47, 3.46 A)
&rst
ixpk= 1703, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1301,1302,
&end
#
# 76 ASP HN 77 LYS HB+ 5.50 (# 1704:25 Unique 4.41, 5.69 A)
&rst
ixpk= 1704, nxpk= 25, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1265,1266,
&end
#
# 0 AMB 25-3:1705 0 AMB 25-1:1705 4.50 (# 1705:25 Double Ambig)
&rst
ixpk= 1705, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1297,1167,
igr2=1301,1302,1301,1302,
&end
#
# 0 AMB 25-3:1706 79 MET HB- 5.50 (# 1706:25 Single Ambig)
&rst
ixpk= 1706, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1297,1167,
igr2=1301,1302,
&end
#
# 79 MET HG- 79 MET HB- 5.50 (# 1707:25 Unique 2.25, 2.64 A)
&rst
ixpk= 1707, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1304,1305,
igr2=1301,1302,
&end
#
# 79 MET HG- 79 MET HB+ 5.50 (# 1708:25 Unique 2.25, 2.64 A)
&rst
ixpk= 1708, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1304,1305,
igr2=1301,1302,
&end
#
# 69 MET QE 79 MET HG+ 5.50 (# 1709:25 Unique 2.62, 5.44 A)
&rst
ixpk= 1709, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1144,1145,1146,
igr2=1304,1305,
&end
#
# 69 MET QE 79 MET HG- 5.50 (# 1710:25 Unique 2.62, 5.44 A)
&rst
ixpk= 1710, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1144,1145,1146,
igr2=1304,1305,
&end
#
# 79 MET HB+ 79 MET HG- 5.50 (# 1711:25 Unique 2.25, 2.64 A)
&rst
ixpk= 1711, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1301,1302,
igr2=1304,1305,
&end
#
# 79 MET HB+ 79 MET HG+ 5.50 (# 1712:25 Unique 2.25, 2.64 A)
&rst
ixpk= 1712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1301,1302,
igr2=1304,1305,
&end
#
# 0 AMB 25-3:1713 0 AMB 25-1:1713 5.50 (# 1713:25 Double Ambig)
&rst
ixpk= 1713, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1344,1345,1346, 177, 178, 179,
igr2=1304,1305,1304,1305,
&end
#
# 11 ILE QG2 79 MET HG- 5.50 (# 1714:25 Unique 4.29, 5.53 A)
&rst
ixpk= 1714, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 177, 178, 179,
igr2=1304,1305,
&end
#
# 0 AMB 25-3:1715 79 MET HG- 5.50 (# 1715:25 Single Ambig)
&rst
ixpk= 1715, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1299,1293,
igr2=1304,1305,
&end
#
# 0 AMB 25-3:1716 0 AMB 25-1:1716 5.50 (# 1716:25 Double Ambig)
&rst
ixpk= 1716, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1299,1293,
igr2=1304,1305,1304,1305,
&end
#
# 0 AMB 25-3:1717 0 AMB 25-1:1717 5.50 (# 1717:25 Double Ambig)
&rst
ixpk= 1717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1301,1302,1137,1138,
igr2=1304,1305,1304,1305,
&end
#
# 0 AMB 25-3:1718 79 MET HG- 5.50 (# 1718:25 Single Ambig)
&rst
ixpk= 1718, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1301,1302,1137,1138,
igr2=1304,1305,
&end
#
# 0 AMB 25-3:1719 80 GLN HB- 2.80 (# 1719:25 Single Ambig)
&rst
ixpk= 1719, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 208, 209,1321,1322,1321,1322,
igr2=1318,1319,
&end
#
# 0 AMB 25-3:1720 0 AMB 25-1:1720 2.80 (# 1720:25 Double Ambig)
&rst
ixpk= 1720, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 208, 209,1321,1322,1321,1322, 373, 374, 107, 108,
igr2=1318,1319,1318,1319,1318,1319, 370, 371, 104, 105,
&end
#
# 0 AMB 25-3:1721 0 AMB 25-1:1721 3.50 (# 1721:25 Double Ambig)
&rst
ixpk= 1721, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 831, 832, 385, 386, 317, 318, 317, 318, 432, 433,
igr2= 255, 256, 370, 371,
&end
#
# 81 ILE HB 80 GLN HB- 7.00 (# 1722:25 Unique 5.82, 6.40 A)
&rst
ixpk= 1722, nxpk= 25, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1318,1319,
&end
#
# 80 GLN HA 80 GLN HB- 4.50 (# 1723:25 Unique 2.45, 2.78 A)
&rst
ixpk= 1723, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1318,1319,
&end
#
# 0 AMB 25-3:1724 80 GLN HB- 4.50 (# 1724:25 Single Ambig)
&rst
ixpk= 1724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1314,1162,1163,
igr2=1318,1319,
&end
#
# 0 AMB 25-3:1725 80 GLN HB- 5.50 (# 1725:25 Single Ambig)
&rst
ixpk= 1725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 177, 178, 179,1344,1345,1346,
igr2=1318,1319,
&end
#
# 0 AMB 25-3:1726 0 AMB 25-1:1726 4.50 (# 1726:25 Double Ambig)
&rst
ixpk= 1726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 177, 178, 179, 298, 299, 298, 299,1344,1345,1346,
igr2=1318,1319, 255, 256, 255, 256,1318,1319,
&end
#
# 0 AMB 25-3:1727 80 GLN HB- 5.50 (# 1727:25 Single Ambig)
&rst
ixpk= 1727, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 204,1167,
igr2=1318,1319,
&end
#
# 12 ASN HB- 80 GLN HB+ 5.50 (# 1728:25 Unique 2.67, 4.72 A)
&rst
ixpk= 1728, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 194, 195,
igr2=1318,1319,
&end
#
# 12 ASN HB- 80 GLN HB- 5.50 (# 1729:25 Unique 2.67, 4.72 A)
&rst
ixpk= 1729, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 194, 195,
igr2=1318,1319,
&end
#
# 0 AMB 25-3:1730 0 AMB 25-1:1730 5.50 (# 1730:25 Double Ambig)
&rst
ixpk= 1730, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.21, r4=12.71,
igr1=1341,1342,1341,1342,1341,1342,1271,1272,1271,1272,
1271,1272,
igr2=1321,1322,1321,1322,1321,1322,1321,1322,1321,1322,
&end
#
# 80 GLN HB- 0 AMB 25-1:1731 2.80 (# 1731:25 Single Ambig)
&rst
ixpk= 1731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1318,1319,
igr2=1321,1322,1321,1322,
&end
#
# 0 AMB 25-3:1732 0 AMB 25-1:1732 2.80 (# 1732:25 Double Ambig)
&rst
ixpk= 1732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1318,1319,1318,1319,
igr2=1321,1322,1321,1322,
&end
#
# 0 AMB 25-3:1733 0 AMB 25-1:1733 4.50 (# 1733:25 Double Ambig)
&rst
ixpk= 1733, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1287,1288,1287,1288,1290,1291,1290,1291,1154,1155,
igr2=1321,1322,1321,1322,1321,1322,1321,1322,
&end
#
# 0 AMB 25-3:1734 0 AMB 25-1:1734 4.50 (# 1734:25 Double Ambig)
&rst
ixpk= 1734, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 208, 209, 208, 209,
igr2=1321,1322,1321,1322,
&end
#
# 80 GLN HA 0 AMB 25-1:1735 3.50 (# 1735:25 Single Ambig)
&rst
ixpk= 1735, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1321,1322,1321,1322,
&end
#
# 80 GLN HE2- 0 AMB 25-1:1736 4.50 (# 1736:25 Single Ambig)
&rst
ixpk= 1736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1326,1327,
igr2=1321,1322,1321,1322,
&end
#
# 0 AMB 25-3:1737 0 AMB 25-1:1737 3.50 (# 1737:25 Double Ambig)
&rst
ixpk= 1737, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1326,1327,1326,1327,
igr2=1321,1322,1321,1322,
&end
#
# 0 AMB 25-3:1738 0 AMB 25-1:1738 4.50 (# 1738:25 Double Ambig)
&rst
ixpk= 1738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1314,1162,1163,1162,1163,
igr2=1321,1322,1321,1322,1321,1322,
&end
#
# 0 AMB 25-3:1739 0 AMB 25-1:1739 5.50 (# 1739:25 Double Ambig)
&rst
ixpk= 1739, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 213, 214, 213, 214,
igr2=1321,1322,1321,1322,
&end
#
# 81 ILE HN 0 AMB 25-1:1740 4.50 (# 1740:25 Single Ambig)
&rst
ixpk= 1740, nxpk= 25, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1321,1322,1321,1322,
&end
#
# 0 AMB 25-3:1741 0 AMB 25-1:1741 5.50 (# 1741:25 Double Ambig)
&rst
ixpk= 1741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1167,1297, 204,
igr2=1321,1322,1321,1322,1321,1322,1321,1322,
&end
#
# 0 AMB 25-3:1742 81 ILE HA 3.50 (# 1742:25 Single Ambig)
&rst
ixpk= 1742, nxpk= 25, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 181, 182,1344,1345,1346,
&end
#
# 82 ALA HN 81 ILE HA 3.50 (# 1745:25 Unique 1.95, 2.26 A)
&rst
ixpk= 1745, nxpk= 25, iat=1350,1333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HG 81 ILE HB 4.50 (# 1746:25 Unique 2.74, 3.20 A)
&rst
ixpk= 1746, nxpk= 25, iat=1083,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 ILE QD1 81 ILE HB 3.50 (# 1747:25 Unique 2.22, 3.19 A)
&rst
ixpk= 1747, nxpk= 25, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1344,1345,1346,
&end
#
# 81 ILE QG2 81 ILE HB 3.50 (# 1748:25 Unique 2.35, 2.67 A)
&rst
ixpk= 1748, nxpk= 25, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1337,1338,1339,
&end
#
# 70 GLN HE2- 81 ILE HB 7.00 (# 1749:25 Unique 3.15, 3.97 A)
&rst
ixpk= 1749, nxpk= 25, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1162,1163,
&end
#
# 81 ILE HN 81 ILE HB 4.50 (# 1750:25 Unique 2.78, 2.93 A)
&rst
ixpk= 1750, nxpk= 25, iat=1331,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU MDY 81 ILE HB 5.50 (# 1751:25 Unique 2.20, 4.18 A)
&rst
ixpk= 1751, nxpk= 25, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1085,1086,1087,1089,1090,1091,
&end
#
# 71 GLY HN 81 ILE HB 5.50 (# 1753:25 Unique 5.17, 5.50 A)
&rst
ixpk= 1753, nxpk= 25, iat=1167,1335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG HA 0 AMB 25-1:1754 5.50 (# 1754:25 Single Ambig)
&rst
ixpk= 1754, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1341,1342,1341,1342,
&end
#
# 0 AMB 25-3:1755 0 AMB 25-1:1755 3.50 (# 1755:25 Double Ambig)
&rst
ixpk= 1755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 557,1152,
igr2= 559, 560, 559, 560,1341,1342,1341,1342,
&end
#
# 33 GLN HN 0 AMB 25-1:1757 5.50 (# 1757:25 Single Ambig)
&rst
ixpk= 1757, nxpk= 25, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 559, 560, 559, 560,
&end
#
# 0 AMB 25-3:1758 0 AMB 25-1:1758 5.50 (# 1758:25 Double Ambig)
&rst
ixpk= 1758, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 580, 588, 572,
igr2= 559, 560, 559, 560, 559, 560,
&end
#
# 69 MET HN 0 AMB 25-1:1759 5.50 (# 1759:25 Single Ambig)
&rst
ixpk= 1759, nxpk= 25, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1341,1342,1341,1342,
&end
#
# 0 AMB 25-3:1760 0 AMB 25-1:1760 2.80 (# 1760:25 Double Ambig)
&rst
ixpk= 1760, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1344,1345,1346, 177, 178, 179, 181, 182,
igr2=1341,1342,1341,1342,1341,1342,1341,1342,
&end
#
# 9 ILE QD1 81 ILE QD1 5.50 (# 1761:25 Unique 2.67, 4.80 A)
&rst
ixpk= 1761, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 144, 145, 146,
igr2=1344,1345,1346,
&end
#
# 0 AMB 25-3:1762 81 ILE QD1 4.50 (# 1762:25 Single Ambig)
&rst
ixpk= 1762, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1085,1086,1087,1089,1090,1091, 184, 185, 186,
igr2=1344,1345,1346,
&end
#
# 0 AMB 25-3:1763 81 ILE QD1 4.50 (# 1763:25 Single Ambig)
&rst
ixpk= 1763, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1083,1070,1071,1072,
igr2=1344,1345,1346,
&end
#
# 0 AMB 25-3:1764 81 ILE QD1 2.80 (# 1764:25 Single Ambig)
&rst
ixpk= 1764, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1341,1342,1341,1342,
igr2=1344,1345,1346,
&end
#
# 69 MET HB+ 81 ILE QD1 3.50 (# 1765:25 Unique 2.33, 3.21 A)
&rst
ixpk= 1765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1137,1138,
igr2=1344,1345,1346,
&end
#
# 69 MET QE 81 ILE QD1 5.50 (# 1766:25 Unique 4.17, 6.36 A)
&rst
ixpk= 1766, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1144,1145,1146,
igr2=1344,1345,1346,
&end
#
# 0 AMB 25-3:1767 81 ILE QD1 4.50 (# 1767:25 Single Ambig)
&rst
ixpk= 1767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1137,1138,1308,1309,1310,
igr2=1344,1345,1346,
&end
#
# 0 AMB 25-3:1768 81 ILE QD1 5.50 (# 1768:25 Single Ambig)
&rst
ixpk= 1768, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1301,1302,1154,1155,
igr2=1344,1345,1346,
&end
#
# 66 LEU HA 81 ILE QD1 4.50 (# 1769:25 Unique 2.72, 3.70 A)
&rst
ixpk= 1769, nxpk= 25, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1344,1345,1346,
&end
#
# 70 GLN HA 81 ILE QD1 4.50 (# 1770:25 Unique 2.31, 3.51 A)
&rst
ixpk= 1770, nxpk= 25, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1344,1345,1346,
&end
#
# 81 ILE HA 81 ILE QD1 5.50 (# 1771:25 Unique 4.43, 4.84 A)
&rst
ixpk= 1771, nxpk= 25, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1344,1345,1346,
&end
#
# 31 PHE QE 81 ILE QD1 5.50 (# 1772:25 Unique 2.22, 4.47 A)
&rst
ixpk= 1772, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 534, 538,
igr2=1344,1345,1346,
&end
#
# 70 GLN HN 81 ILE QD1 4.50 (# 1773:25 Unique 2.80, 3.97 A)
&rst
ixpk= 1773, nxpk= 25, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1344,1345,1346,
&end
#
# 69 MET HN 81 ILE QD1 5.50 (# 1774:25 Unique 3.72, 4.64 A)
&rst
ixpk= 1774, nxpk= 25, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1344,1345,1346,
&end
#
# 81 ILE HN 81 ILE QD1 5.50 (# 1775:25 Unique 4.18, 5.10 A)
&rst
ixpk= 1775, nxpk= 25, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1344,1345,1346,
&end
#
# 0 AMB 25-3:1776 81 ILE QD1 5.50 (# 1776:25 Single Ambig)
&rst
ixpk= 1776, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1167,1297,
igr2=1344,1345,1346,
&end
#
# 66 LEU MDX 81 ILE QG2 3.50 (# 1777:25 Unique 2.75, 4.76 A)
&rst
ixpk= 1777, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1337,1338,1339,
&end
#
# 9 ILE QD1 81 ILE QG2 3.50 (# 1778:25 Unique 2.16, 3.80 A)
&rst
ixpk= 1778, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 144, 145, 146,
igr2=1337,1338,1339,
&end
#
# 0 AMB 25-3:1779 81 ILE QG2 4.50 (# 1779:25 Single Ambig)
&rst
ixpk= 1779, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1085,1086,1087,1089,1090,1091, 184, 185, 186,
igr2=1337,1338,1339,
&end
#
# 66 LEU HG 81 ILE QG2 3.50 (# 1781:25 Unique 1.93, 2.89 A)
&rst
ixpk= 1781, nxpk= 25, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1337,1338,1339,
&end
#
# 0 AMB 25-3:1782 81 ILE QG2 3.50 (# 1782:25 Single Ambig)
&rst
ixpk= 1782, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 181, 182, 141, 142,
igr2=1337,1338,1339,
&end
#
# 0 AMB 25-3:1783 81 ILE QG2 2.80 (# 1783:25 Single Ambig)
&rst
ixpk= 1783, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1341,1342,1341,1342, 135,
igr2=1337,1338,1339,
&end
#
# 81 ILE HB 81 ILE QG2 2.80 (# 1784:25 Unique 2.35, 2.67 A)
&rst
ixpk= 1784, nxpk= 25, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1337,1338,1339,
&end
#
# 66 LEU HA 81 ILE QG2 3.50 (# 1785:25 Unique 2.31, 3.79 A)
&rst
ixpk= 1785, nxpk= 25, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1337,1338,1339,
&end
#
# 11 ILE HA 81 ILE QG2 4.50 (# 1786:25 Unique 2.22, 3.47 A)
&rst
ixpk= 1786, nxpk= 25, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1337,1338,1339,
&end
#
# 81 ILE HA 81 ILE QG2 3.50 (# 1788:25 Unique 2.39, 3.01 A)
&rst
ixpk= 1788, nxpk= 25, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1337,1338,1339,
&end
#
# 82 ALA HN 81 ILE QG2 3.50 (# 1789:25 Unique 1.83, 2.94 A)
&rst
ixpk= 1789, nxpk= 25, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1337,1338,1339,
&end
#
# 66 LEU HN 81 ILE QG2 5.50 (# 1790:25 Unique 4.44, 6.04 A)
&rst
ixpk= 1790, nxpk= 25, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1337,1338,1339,
&end
#
# 83 TYR HN 82 ALA HA 3.50 (# 1791:25 Unique 2.54, 2.65 A)
&rst
ixpk= 1791, nxpk= 25, iat=1360,1352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 ALA HN 82 ALA HA 4.50 (# 1793:25 Unique 2.74, 2.93 A)
&rst
ixpk= 1793, nxpk= 25, iat=1350,1352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 ALA QB 82 ALA HA 2.80 (# 1794:25 Unique 2.45, 2.69 A)
&rst
ixpk= 1794, nxpk= 25, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1354,1355,1356,
&end
#
# 66 LEU MDX 82 ALA HA 3.50 (# 1795:25 Unique 2.16, 3.90 A)
&rst
ixpk= 1795, nxpk= 25, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1085,1086,1087,1089,1090,1091,
&end
#
# 0 AMB 25-3:1797 0 AMB 25-1:1797 2.80 (# 1797:25 Double Ambig)
&rst
ixpk= 1797, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1265,1266,1265,1266, 404, 405, 404, 405,1287,1288,
igr2=1268,1269,1268,1269, 336, 337,1268,1269,
&end
#
# 33 GLN HA 34 PHE HB+ 5.50 (# 1801:25 Unique 5.10, 6.12 A)
&rst
ixpk= 1801, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 576, 577,
&end
#
# 0 AMB 25-3:1803 0 AMB 25-1:1803 3.50 (# 1803:25 Double Ambig)
&rst
ixpk= 1803, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 580, 588, 572, 592,
igr2= 576, 577, 576, 577, 576, 577,
&end
#
# 0 AMB 25-3:1804 34 PHE HB- 3.50 (# 1804:25 Single Ambig)
&rst
ixpk= 1804, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 580, 588, 572, 592,
igr2= 576, 577,
&end
#
# 56 PHE QE 0 AMB 25-1:1805 5.50 (# 1805:25 Single Ambig)
&rst
ixpk= 1805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 947, 951,
igr2= 528, 529, 576, 577,
&end
#
# 0 AMB 25-3:1806 34 PHE HB- 5.50 (# 1806:25 Single Ambig)
&rst
ixpk= 1806, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 947, 951, 582, 586,
igr2= 576, 577,
&end
#
# 0 AMB 25-3:1807 0 AMB 25-1:1807 5.50 (# 1807:25 Double Ambig)
&rst
ixpk= 1807, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1268,1269,1268,1269,1354,1355,1356,1335,
igr2=1299,1383,
&end
#
# 0 AMB 25-3:1808 84 SER HA 4.50 (# 1808:25 Single Ambig)
&rst
ixpk= 1808, nxpk= 25, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1392,1381,
&end
#
# 84 SER HB- 84 SER HA 3.50 (# 1811:25 Unique 2.35, 2.71 A)
&rst
ixpk= 1811, nxpk= 25, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1385,1386,
&end
#
# 0 AMB 25-3:1812 84 SER HA 5.50 (# 1812:25 Single Ambig)
&rst
ixpk= 1812, nxpk= 25, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 154, 155, 154, 155,
&end
#
# 8 THR QG2 84 SER HB+ 4.50 (# 1815:25 Unique 2.37, 4.17 A)
&rst
ixpk= 1815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 123, 124, 125,
igr2=1385,1386,
&end
#
# 8 THR QG2 84 SER HB- 5.50 (# 1816:25 Unique 2.37, 4.17 A)
&rst
ixpk= 1816, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 123, 124, 125,
igr2=1385,1386,
&end
#
# 84 SER HA 84 SER HB- 4.50 (# 1817:25 Unique 2.35, 2.71 A)
&rst
ixpk= 1817, nxpk= 25, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1385,1386,
&end
#
# 84 SER HA 84 SER HB+ 4.50 (# 1818:25 Unique 2.35, 2.71 A)
&rst
ixpk= 1818, nxpk= 25, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1385,1386,
&end
#
# 8 THR HB 84 SER HB- 4.50 (# 1819:25 Unique 2.12, 3.05 A)
&rst
ixpk= 1819, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1385,1386,
&end
#
# 8 THR HB 84 SER HB+ 4.50 (# 1820:25 Unique 2.12, 3.05 A)
&rst
ixpk= 1820, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1385,1386,
&end
#
# 0 AMB 25-3:1824 0 AMB 25-1:1824 4.50 (# 1824:25 Double Ambig)
&rst
ixpk= 1824, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1392,1381,
igr2=1385,1386,1385,1386,
&end
#
# 0 AMB 25-3:1825 0 AMB 25-1:1825 5.50 (# 1825:25 Double Ambig)
&rst
ixpk= 1825, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 158, 167, 160, 165,
igr2=1385,1386,1385,1386,
&end
#
# 36 GLN HB- 36 GLN HA 3.50 (# 1827:25 Unique 2.22, 2.74 A)
&rst
ixpk= 1827, nxpk= 25, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 603, 604,
&end
#
# 36 GLN HG+ 36 GLN HA 4.50 (# 1828:25 Unique 2.31, 3.43 A)
&rst
ixpk= 1828, nxpk= 25, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 606, 607,
&end
#
# 0 AMB 25-3:1829 0 AMB 25-1:1829 5.50 (# 1829:25 Double Ambig)
&rst
ixpk= 1829, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1396,1397,1396,1397, 626, 627,
igr2=1394, 601,
&end
#
# 0 AMB 25-3:1830 0 AMB 25-1:1830 5.50 (# 1830:25 Double Ambig)
&rst
ixpk= 1830, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 599,1392,
igr2= 601,1394,
&end
#
# 88 SER HB+ 88 SER HA 3.50 (# 1833:25 Unique 2.21, 2.72 A)
&rst
ixpk= 1833, nxpk= 25, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1441,1442,
&end
#
# 89 ASP HN 88 SER HA 5.50 (# 1834:25 Unique 3.51, 3.57 A)
&rst
ixpk= 1834, nxpk= 25, iat=1448,1439, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ALA QB 88 SER HB+ 5.50 (# 1842:25 Unique 4.08, 6.04 A)
&rst
ixpk= 1842, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1499,1500,1501,
igr2=1441,1442,
&end
#
# 55 ILE HG1+ 84 SER HB- 5.50 (# 1843:25 Unique 5.85, 7.18 A)
&rst
ixpk= 1843, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 928, 929,
igr2=1385,1386,
&end
#
# 102 PRO HA 101 ARG HA 4.50 (# 1850:25 Unique 4.28, 4.45 A)
&rst
ixpk= 1850, nxpk= 25, iat=1680,1648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE HA 90 ILE HB 4.50 (# 1857:25 Unique 2.16, 2.40 A)
&rst
ixpk= 1857, nxpk= 25, iat=1462,1464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE HN 90 ILE HB 4.50 (# 1859:25 Unique 3.57, 3.69 A)
&rst
ixpk= 1859, nxpk= 25, iat=1460,1464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE HN 90 ILE HG1+ 5.50 (# 1866:25 Unique 2.05, 2.78 A)
&rst
ixpk= 1866, nxpk= 25, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1470,1471,
&end
#
# 90 ILE HN 90 ILE HG1- 5.50 (# 1867:25 Unique 2.05, 2.78 A)
&rst
ixpk= 1867, nxpk= 25, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1470,1471,
&end
#
# 90 ILE HG1+ 90 ILE QD1 2.80 (# 1871:25 Unique 2.30, 2.66 A)
&rst
ixpk= 1871, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1470,1471,
igr2=1473,1474,1475,
&end
#
# 90 ILE HG1+ 90 ILE QG2 3.50 (# 1879:25 Unique 2.46, 3.56 A)
&rst
ixpk= 1879, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1470,1471,
igr2=1466,1467,1468,
&end
#
# 91 VAL HA 90 ILE QG2 5.50 (# 1883:25 Unique 6.47, 6.66 A)
&rst
ixpk= 1883, nxpk= 25, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1466,1467,1468,
&end
#
# 53 PHE QE 90 ILE QG2 5.50 (# 1886:25 Unique 2.71, 4.55 A)
&rst
ixpk= 1886, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 892, 896,
igr2=1466,1467,1468,
&end
#
# 91 VAL HN 90 ILE QG2 4.50 (# 1887:25 Unique 4.30, 4.90 A)
&rst
ixpk= 1887, nxpk= 25, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1466,1467,1468,
&end
#
# 90 ILE HN 90 ILE QG2 4.50 (# 1889:25 Unique 2.23, 3.32 A)
&rst
ixpk= 1889, nxpk= 25, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1466,1467,1468,
&end
#
# 93 LYS HN 90 ILE QG2 5.50 (# 1890:25 Unique 5.23, 6.22 A)
&rst
ixpk= 1890, nxpk= 25, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1466,1467,1468,
&end
#
# 94 ILE HB 91 VAL HA 5.50 (# 1891:25 Unique 2.34, 4.98 A)
&rst
ixpk= 1891, nxpk= 25, iat=1531,1481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 ASP HA 91 VAL HB 5.50 (# 1897:25 Unique 4.35, 5.29 A)
&rst
ixpk= 1897, nxpk= 25, iat=1427,1483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL HN 91 VAL HB 4.50 (# 1898:25 Unique 2.34, 2.45 A)
&rst
ixpk= 1898, nxpk= 25, iat=1479,1483, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ILE HG1- 91 VAL QG+ 3.50 (# 1901:25 Unique 2.34, 5.30 A)
&rst
ixpk= 1901, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1470,1471,
igr2=1485,1486,1487,1489,1490,1491,
&end
#
# 90 ILE HB 91 VAL QG+ 5.50 (# 1902:25 Unique 4.64, 6.56 A)
&rst
ixpk= 1902, nxpk= 25, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1485,1486,1487,1489,1490,1491,
&end
#
# 94 ILE HG1- 91 VAL QG+ 5.50 (# 1903:25 Unique 3.81, 5.35 A)
&rst
ixpk= 1903, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1537,1538,
igr2=1485,1486,1487,1489,1490,1491,
&end
#
# 91 VAL HB 91 VAL QG+ 3.50 (# 1904:25 Unique 2.28, 2.68 A)
&rst
ixpk= 1904, nxpk= 25, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1485,1486,1487,1489,1490,1491,
&end
#
# 91 VAL HA 91 VAL QG+ 3.50 (# 1905:25 Unique 2.15, 3.15 A)
&rst
ixpk= 1905, nxpk= 25, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1485,1486,1487,1489,1490,1491,
&end
#
# 89 ASP HA 91 VAL QG+ 5.50 (# 1907:25 Unique 6.21, 7.42 A)
&rst
ixpk= 1907, nxpk= 25, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1485,1486,1487,1489,1490,1491,
&end
#
# 91 VAL HN 91 VAL QG+ 4.50 (# 1908:25 Unique 2.07, 3.86 A)
&rst
ixpk= 1908, nxpk= 25, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1485,1486,1487,1489,1490,1491,
&end
#
# 0 AMB 25-3:1910 41 VAL QG- 5.50 (# 1910:25 Single Ambig)
&rst
ixpk= 1910, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 886, 887, 886, 887,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 98 PHE HA 92 ALA HA 5.50 (# 1919:25 Unique 4.05, 4.81 A)
&rst
ixpk= 1919, nxpk= 25, iat=1591,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL QG- 92 ALA QB 5.50 (# 1922:25 Unique 4.33, 6.90 A)
&rst
ixpk= 1922, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1485,1486,1487,1489,1490,1491,
igr2=1499,1500,1501,
&end
#
# 94 ILE HG1+ 92 ALA QB 7.00 (# 1923:25 Unique 6.22, 7.44 A)
&rst
ixpk= 1923, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1537,1538,
igr2=1499,1500,1501,
&end
#
# 98 PHE HB- 92 ALA QB 5.50 (# 1928:25 Unique 2.44, 5.08 A)
&rst
ixpk= 1928, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1593,1594,
igr2=1499,1500,1501,
&end
#
# 89 ASP HA 92 ALA QB 4.50 (# 1930:25 Unique 2.35, 3.70 A)
&rst
ixpk= 1930, nxpk= 25, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1499,1500,1501,
&end
#
# 98 PHE QD 92 ALA QB 5.50 (# 1932:25 Unique 2.56, 6.30 A)
&rst
ixpk= 1932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1597,1605,
igr2=1499,1500,1501,
&end
#
# 17 LYS HN 17 LYS HG+ 4.50 (# 1944:25 Unique 2.29, 3.30 A)
&rst
ixpk= 1944, nxpk= 25, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 273, 274,
&end
#
# 0 AMB 25-3:1951 0 AMB 25-1:1951 5.50 (# 1951:25 Double Ambig)
&rst
ixpk= 1951, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1= 859, 860, 859, 860, 859, 860, 862, 863,
igr2= 798, 799, 798, 799, 798, 799, 798, 799,
&end
#
# 94 ILE QD1 94 ILE HA 4.50 (# 1952:25 Unique 4.20, 5.05 A)
&rst
ixpk= 1952, nxpk= 25, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1540,1541,1542,
&end
#
# 64 ASN HN 0 AMB 25-1:1957 4.50 (# 1957:25 Single Ambig)
&rst
ixpk= 1957, nxpk= 25, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1045,1046,1045,1046,
&end
#
# 91 VAL HA 94 ILE HB 5.50 (# 1960:25 Unique 2.34, 4.98 A)
&rst
ixpk= 1960, nxpk= 25, iat=1481,1531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ILE HA 94 ILE HB 5.50 (# 1961:25 Unique 2.25, 2.41 A)
&rst
ixpk= 1961, nxpk= 25, iat=1529,1531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ILE HG1+ 94 ILE HB 5.50 (# 1964:25 Unique 2.01, 2.72 A)
&rst
ixpk= 1964, nxpk= 25, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1537,1538,
&end
#
# 94 ILE HA 94 ILE HG1+ 4.50 (# 1969:25 Unique 2.46, 3.74 A)
&rst
ixpk= 1969, nxpk= 25, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1537,1538,
&end
#
# 0 AMB 25-3:1971 0 AMB 25-1:1971 5.50 (# 1971:25 Double Ambig)
&rst
ixpk= 1971, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 622, 623, 624, 464, 465, 466,
igr2= 676, 677, 676, 677,
&end
#
# 94 ILE HG1+ 94 ILE QD1 2.80 (# 1973:25 Unique 2.20, 2.64 A)
&rst
ixpk= 1973, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1537,1538,
igr2=1540,1541,1542,
&end
#
# 90 ILE HG1- 94 ILE QD1 4.50 (# 1974:25 Unique 2.48, 6.05 A)
&rst
ixpk= 1974, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1470,1471,
igr2=1540,1541,1542,
&end
#
# 90 ILE HG1+ 90 ILE QD1 3.50 (# 1975:25 Unique 2.30, 2.66 A)
&rst
ixpk= 1975, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1470,1471,
igr2=1473,1474,1475,
&end
#
# 91 VAL HA 94 ILE QD1 5.50 (# 1980:25 Unique 2.59, 3.56 A)
&rst
ixpk= 1980, nxpk= 25, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1540,1541,1542,
&end
#
# 94 ILE HA 94 ILE QD1 5.50 (# 1981:25 Unique 4.20, 5.05 A)
&rst
ixpk= 1981, nxpk= 25, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1540,1541,1542,
&end
#
# 90 ILE HG1- 94 ILE QG2 4.50 (# 1983:25 Unique 4.95, 6.58 A)
&rst
ixpk= 1983, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1470,1471,
igr2=1533,1534,1535,
&end
#
# 94 ILE HG1+ 94 ILE QG2 2.80 (# 1984:25 Unique 2.34, 3.53 A)
&rst
ixpk= 1984, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1537,1538,
igr2=1533,1534,1535,
&end
#
# 94 ILE HA 94 ILE QG2 3.50 (# 1990:25 Unique 2.11, 3.09 A)
&rst
ixpk= 1990, nxpk= 25, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1533,1534,1535,
&end
#
# 15 ASN HB+ 77 LYS HE- 4.50 (# 2010:25 Unique 2.54, 5.08 A)
&rst
ixpk= 2010, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 241, 242,
igr2=1274,1275,
&end
#
# 61 SER HN 5 PRO HA 7.00 (# 2022:25 Unique 6.20, 6.99 A)
&rst
ixpk= 2022, nxpk= 25, iat=1020, 82, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 97 THR QG2 97 THR HA 3.50 (# 2023:25 Unique 2.06, 2.93 A)
&rst
ixpk= 2023, nxpk= 25, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1581,1582,1583,
&end
#
# 0 AMB 25-3:2024 68 THR QG2 5.50 (# 2024:25 Single Ambig)
&rst
ixpk= 2024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1061,1062,1133,
igr2=1125,1126,1127,
&end
#
# 89 ASP HA 98 PHE HA 5.50 (# 2027:25 Unique 4.40, 5.25 A)
&rst
ixpk= 2027, nxpk= 25, iat=1450,1591, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 PHE HB+ 98 PHE HA 4.50 (# 2028:25 Unique 2.04, 2.56 A)
&rst
ixpk= 2028, nxpk= 25, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1593,1594,
&end
#
# 98 PHE QD 98 PHE HA 4.50 (# 2031:25 Unique 2.17, 3.92 A)
&rst
ixpk= 2031, nxpk= 25, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1597,1605,
&end
#
# 98 PHE HA 98 PHE HB+ 4.50 (# 2034:25 Unique 2.04, 2.56 A)
&rst
ixpk= 2034, nxpk= 25, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1593,1594,
&end
#
# 98 PHE HA 98 PHE HB- 3.50 (# 2035:25 Unique 2.04, 2.56 A)
&rst
ixpk= 2035, nxpk= 25, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1593,1594,
&end
#
# 98 PHE QD 98 PHE HB+ 3.50 (# 2040:25 Unique 2.30, 3.09 A)
&rst
ixpk= 2040, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1597,1605,
igr2=1593,1594,
&end
#
# 98 PHE QD 98 PHE HB- 3.50 (# 2041:25 Unique 2.30, 3.09 A)
&rst
ixpk= 2041, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1597,1605,
igr2=1593,1594,
&end
#
# 100 GLU HN 99 LYS HA 4.50 (# 2048:25 Unique 2.20, 3.24 A)
&rst
ixpk= 2048, nxpk= 25, iat=1631,1611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 GLU HB- 100 GLU HA 4.50 (# 2061:25 Unique 2.14, 2.66 A)
&rst
ixpk= 2061, nxpk= 25, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1635,1636,
&end
#
# 100 GLU HB+ 100 GLU HA 3.50 (# 2062:25 Unique 2.14, 2.66 A)
&rst
ixpk= 2062, nxpk= 25, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1635,1636,
&end
#
# 0 AMB 25-3:2068 0 AMB 25-1:2068 2.80 (# 2068:25 Double Ambig)
&rst
ixpk= 2068, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 28, 29, 28, 29,
igr2= 25, 26, 25, 26,
&end
#
# 2 GLU HA 2 GLU HB+ 5.50 (# 2070:25 Unique 2.21, 2.72 A)
&rst
ixpk= 2070, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 0 AMB 25-3:2075 0 AMB 25-1:2075 5.50 (# 2075:25 Double Ambig)
&rst
ixpk= 2075, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1105,1106,1105,1106,
igr2= 25, 26, 25, 26,
&end
#
# 0 AMB 25-3:2076 0 AMB 25-1:2076 2.80 (# 2076:25 Double Ambig)
&rst
ixpk= 2076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 734, 735, 734, 735, 426, 427, 333, 334,
igr2= 740, 741, 740, 741, 432, 433, 740, 741,
&end
#
# 0 AMB 25-3:2078 0 AMB 25-1:2078 2.80 (# 2078:25 Double Ambig)
&rst
ixpk= 2078, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 737, 738, 429, 430,
igr2= 740, 741, 740, 741, 432, 433,
&end
#
# 101 ARG HA 101 ARG HB+ 4.50 (# 2081:25 Unique 2.28, 2.68 A)
&rst
ixpk= 2081, nxpk= 25, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1650,1651,
&end
#
# 0 AMB 25-3:2087 46 LEU HG 2.80 (# 2087:25 Single Ambig)
&rst
ixpk= 2087, nxpk= 25, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 779, 780, 781, 775, 776, 777,
&end
#
# 0 AMB 25-3:2090 0 AMB 25-1:2090 5.50 (# 2090:25 Double Ambig)
&rst
ixpk= 2090, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 253, 768, 268, 787, 850, 851,
igr2= 831, 832, 773,
&end
#
# 49 ARG HA 49 ARG HG- 4.50 (# 2091:25 Unique 2.26, 2.69 A)
&rst
ixpk= 2091, nxpk= 25, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 831, 832,
&end
#
# 34 PHE HA 34 PHE HB+ 4.50 (# 2097:25 Unique 2.42, 2.74 A)
&rst
ixpk= 2097, nxpk= 25, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 576, 577,
&end
#
# 0 AMB 25-3:2106 44 LYS HB- 2.80 (# 2106:25 Single Ambig)
&rst
ixpk= 2106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 737, 738, 737, 738,
igr2= 734, 735,
&end
#
# 20 LYS HN 0 AMB 25-1:2114 4.50 (# 2114:25 Single Ambig)
&rst
ixpk= 2114, nxpk= 25, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 743, 744, 743, 744,
&end
#
# 76 ASP HN 0 AMB 25-1:2115 5.50 (# 2115:25 Single Ambig)
&rst
ixpk= 2115, nxpk= 25, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 279, 280, 279, 280,
&end
#
# 102 PRO HD+ 102 PRO HA 4.50 (# 2119:25 Unique 3.48, 3.80 A)
&rst
ixpk= 2119, nxpk= 25, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1671,1672,
&end
#
# 102 PRO HA 102 PRO HB+ 4.50 (# 2121:25 Unique 2.27, 2.56 A)
&rst
ixpk= 2121, nxpk= 25, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1677,1678,
&end
#
# 101 ARG HA 102 PRO HD- 3.50 (# 2134:25 Unique 2.00, 2.45 A)
&rst
ixpk= 2134, nxpk= 25, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1671,1672,
&end
#
# 102 PRO HA 102 PRO HD- 5.50 (# 2143:25 Unique 3.48, 3.80 A)
&rst
ixpk= 2143, nxpk= 25, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1671,1672,
&end
#
# 78 PRO HA 73 PRO HA 3.50 (# 2145:25 Unique 2.19, 2.35 A)
&rst
ixpk= 2145, nxpk= 25, iat=1293,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 PRO HB+ 73 PRO HA 3.50 (# 2147:25 Unique 2.28, 2.53 A)
&rst
ixpk= 2147, nxpk= 25, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1201,1202,
&end
#
# 74 PHE HN 73 PRO HA 4.50 (# 2148:25 Unique 2.29, 2.39 A)
&rst
ixpk= 2148, nxpk= 25, iat=1208,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 PHE HB- 73 PRO HB- 5.50 (# 2149:25 Unique 5.17, 6.48 A)
&rst
ixpk= 2149, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1212,1213,
igr2=1201,1202,
&end
#
# 79 MET HG- 73 PRO HB+ 5.50 (# 2150:25 Unique 6.20, 7.11 A)
&rst
ixpk= 2150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1304,1305,
igr2=1201,1202,
&end
#
# 73 PRO HA 73 PRO HB+ 5.50 (# 2151:25 Unique 2.28, 2.53 A)
&rst
ixpk= 2151, nxpk= 25, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1201,1202,
&end
#
# 73 PRO HA 73 PRO HB- 5.50 (# 2152:25 Unique 2.28, 2.53 A)
&rst
ixpk= 2152, nxpk= 25, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1201,1202,
&end
#
# 77 LYS HN 73 PRO HB+ 5.50 (# 2153:25 Unique 4.33, 4.99 A)
&rst
ixpk= 2153, nxpk= 25, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1201,1202,
&end
#
# 72 PHE HA 73 PRO HD+ 3.50 (# 2155:25 Unique 2.12, 2.39 A)
&rst
ixpk= 2155, nxpk= 25, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1195,1196,
&end
#
# 72 PHE HA 73 PRO HD- 4.50 (# 2156:25 Unique 2.12, 2.39 A)
&rst
ixpk= 2156, nxpk= 25, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1195,1196,
&end
#
# 73 PRO HB+ 73 PRO HD- 4.50 (# 2157:25 Unique 2.84, 3.71 A)
&rst
ixpk= 2157, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1201,1202,
igr2=1195,1196,
&end
#
# 73 PRO HB- 73 PRO HD- 5.50 (# 2158:25 Unique 2.84, 3.71 A)
&rst
ixpk= 2158, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1201,1202,
igr2=1195,1196,
&end
#
# 73 PRO HB- 73 PRO HD+ 4.50 (# 2160:25 Unique 2.84, 3.71 A)
&rst
ixpk= 2160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1201,1202,
igr2=1195,1196,
&end
#
# 72 PHE QD 73 PRO HD+ 5.50 (# 2161:25 Unique 3.01, 4.17 A)
&rst
ixpk= 2161, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1182,1190,
igr2=1195,1196,
&end
#
# 72 PHE QD 73 PRO HD- 5.50 (# 2162:25 Unique 3.01, 4.17 A)
&rst
ixpk= 2162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1182,1190,
igr2=1195,1196,
&end
#
# 0 AMB 25-3:2164 78 PRO HA 5.50 (# 2164:25 Single Ambig)
&rst
ixpk= 2164, nxpk= 25, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,1265,1266,
&end
#
# 0 AMB 25-3:2165 78 PRO HA 5.50 (# 2165:25 Single Ambig)
&rst
ixpk= 2165, nxpk= 25, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1290,1291,1287,1288,
&end
#
# 7 GLN HN 5 PRO HA 7.00 (# 2167:25 Unique 3.84, 5.90 A)
&rst
ixpk= 2167, nxpk= 25, iat= 100, 82, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 79 MET HN 78 PRO HA 5.50 (# 2169:25 Unique 2.19, 2.25 A)
&rst
ixpk= 2169, nxpk= 25, iat=1297,1293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 TYR HN 78 PRO HA 5.50 (# 2170:25 Unique 4.69, 4.99 A)
&rst
ixpk= 2170, nxpk= 25, iat=1228,1293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2171 78 PRO HA 5.50 (# 2171:25 Single Ambig)
&rst
ixpk= 2171, nxpk= 25, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,1265,1266,
&end
#
# 0 AMB 25-3:2172 0 AMB 25-1:2172 4.50 (# 2172:25 Double Ambig)
&rst
ixpk= 2172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1169,1170,1284,1285,
igr2=1290,1291,1290,1291,
&end
#
# 0 AMB 25-3:2173 78 PRO HB- 4.50 (# 2173:25 Single Ambig)
&rst
ixpk= 2173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1169,1170,1284,1285,
igr2=1290,1291,
&end
#
# 0 AMB 25-3:2174 0 AMB 25-1:2174 3.50 (# 2174:25 Double Ambig)
&rst
ixpk= 2174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1293,1169,1170,
igr2=1290,1291,1290,1291,
&end
#
# 0 AMB 25-3:2175 78 PRO HB- 3.50 (# 2175:25 Single Ambig)
&rst
ixpk= 2175, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1293,1169,1170,
igr2=1290,1291,
&end
#
# 73 PRO HA 78 PRO HB+ 5.50 (# 2176:25 Unique 3.28, 4.50 A)
&rst
ixpk= 2176, nxpk= 25, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1290,1291,
&end
#
# 80 GLN HE2- 78 PRO HB+ 5.50 (# 2177:25 Unique 3.51, 5.73 A)
&rst
ixpk= 2177, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1326,1327,
igr2=1290,1291,
&end
#
# 78 PRO HD+ 78 PRO HG+ 4.50 (# 2179:25 Unique 2.17, 2.60 A)
&rst
ixpk= 2179, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1284,1285,
igr2=1287,1288,
&end
#
# 78 PRO HD- 78 PRO HG+ 4.50 (# 2180:25 Unique 2.17, 2.60 A)
&rst
ixpk= 2180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1284,1285,
igr2=1287,1288,
&end
#
# 78 PRO HD- 78 PRO HG- 3.50 (# 2181:25 Unique 2.17, 2.60 A)
&rst
ixpk= 2181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1284,1285,
igr2=1287,1288,
&end
#
# 78 PRO HD+ 78 PRO HG- 4.50 (# 2182:25 Unique 2.17, 2.60 A)
&rst
ixpk= 2182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1284,1285,
igr2=1287,1288,
&end
#
# 0 AMB 25-3:2183 0 AMB 25-1:2183 5.50 (# 2183:25 Double Ambig)
&rst
ixpk= 2183, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1293,1169,1170,
igr2=1287,1288,1287,1288,
&end
#
# 77 LYS HA 78 PRO HG+ 5.50 (# 2184:25 Unique 4.23, 4.55 A)
&rst
ixpk= 2184, nxpk= 25, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1287,1288,
&end
#
# 13 ASN HD2- 78 PRO HG+ 5.50 (# 2185:25 Unique 2.80, 4.13 A)
&rst
ixpk= 2185, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 213, 214,
igr2=1287,1288,
&end
#
# 78 PRO HA 78 PRO HD+ 4.50 (# 2188:25 Unique 3.37, 3.84 A)
&rst
ixpk= 2188, nxpk= 25, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1284,1285,
&end
#
# 77 LYS HA 78 PRO HD- 3.50 (# 2189:25 Unique 1.97, 2.40 A)
&rst
ixpk= 2189, nxpk= 25, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1284,1285,
&end
#
# 77 LYS HA 78 PRO HD+ 3.50 (# 2190:25 Unique 1.97, 2.40 A)
&rst
ixpk= 2190, nxpk= 25, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1284,1285,
&end
#
# 13 ASN HD2- 78 PRO HD+ 4.50 (# 2191:25 Unique 2.51, 4.02 A)
&rst
ixpk= 2191, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 213, 214,
igr2=1284,1285,
&end
#
# 13 ASN HD2- 78 PRO HD- 5.50 (# 2192:25 Unique 2.51, 4.02 A)
&rst
ixpk= 2192, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 213, 214,
igr2=1284,1285,
&end
#
# 13 ASN HD2+ 78 PRO HD+ 5.50 (# 2193:25 Unique 2.51, 4.02 A)
&rst
ixpk= 2193, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 213, 214,
igr2=1284,1285,
&end
#
# 0 AMB 25-3:2194 0 AMB 25-1:2194 5.50 (# 2194:25 Double Ambig)
&rst
ixpk= 2194, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1204,1251,
igr2=1284,1285,1284,1285,
&end
#
# 0 AMB 25-3:2195 78 PRO HD- 5.50 (# 2195:25 Single Ambig)
&rst
ixpk= 2195, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1271,1272,1271,1272,
igr2=1284,1285,
&end
#
# 5 PRO HG- 5 PRO HB+ 4.50 (# 2196:25 Unique 2.15, 2.62 A)
&rst
ixpk= 2196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 76, 77,
igr2= 79, 80,
&end
#
# 5 PRO HG- 5 PRO HB- 2.80 (# 2197:25 Unique 2.15, 2.62 A)
&rst
ixpk= 2197, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 76, 77,
igr2= 79, 80,
&end
#
# 0 AMB 25-3:2198 0 AMB 25-1:2198 5.50 (# 2198:25 Double Ambig)
&rst
ixpk= 2198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 73, 74,1015,1016,
igr2= 79, 80, 79, 80,
&end
#
# 0 AMB 25-3:2199 5 PRO HB- 5.50 (# 2199:25 Single Ambig)
&rst
ixpk= 2199, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 73, 74,1015,1016,
igr2= 79, 80,
&end
#
# 5 PRO HB+ 5 PRO HG- 4.50 (# 2200:25 Unique 2.15, 2.62 A)
&rst
ixpk= 2200, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 79, 80,
igr2= 76, 77,
&end
#
# 5 PRO HB+ 5 PRO HG+ 3.50 (# 2201:25 Unique 2.15, 2.62 A)
&rst
ixpk= 2201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 79, 80,
igr2= 76, 77,
&end
#
# 0 AMB 25-3:2202 0 AMB 25-1:2202 5.50 (# 2202:25 Double Ambig)
&rst
ixpk= 2202, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 25, 26, 40, 41, 40, 41,
igr2=1102,1103,1102,1103,1102,1103,
&end
#
# 5 PRO HD+ 5 PRO HG- 3.50 (# 2205:25 Unique 1.90, 2.61 A)
&rst
ixpk= 2205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 73, 74,
igr2= 76, 77,
&end
#
# 5 PRO HD+ 5 PRO HG+ 5.50 (# 2206:25 Unique 1.90, 2.61 A)
&rst
ixpk= 2206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 73, 74,
igr2= 76, 77,
&end
#
# 5 PRO HD- 5 PRO HG- 3.50 (# 2207:25 Unique 1.90, 2.61 A)
&rst
ixpk= 2207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 73, 74,
igr2= 76, 77,
&end
#
# 4 LEU HA 5 PRO HG- 5.50 (# 2208:25 Unique 4.04, 4.48 A)
&rst
ixpk= 2208, nxpk= 25, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 76, 77,
&end
#
# 0 AMB 25-3:2210 0 AMB 25-1:2210 5.50 (# 2210:25 Double Ambig)
&rst
ixpk= 2210, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1119,1162,1163,
igr2=1102,1103,1102,1103,
&end
#
# 0 AMB 25-3:2212 5 PRO HD- 4.50 (# 2212:25 Single Ambig)
&rst
ixpk= 2212, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 62, 63, 64, 66, 67, 68, 62, 63, 64, 66,
67, 68,
igr2= 73, 74,
&end
#
# 0 AMB 25-3:2213 0 AMB 25-1:2213 4.50 (# 2213:25 Double Ambig)
&rst
ixpk= 2213, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 62, 63, 64, 66, 67, 68, 62, 63, 64, 66,
67, 68,
igr2= 73, 74, 73, 74,
&end
#
# 0 AMB 25-3:2214 0 AMB 25-1:2214 4.50 (# 2214:25 Double Ambig)
&rst
ixpk= 2214, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 57, 58, 79, 80,
igr2= 73, 74, 73, 74,
&end
#
# 0 AMB 25-3:2215 0 AMB 25-1:2215 4.50 (# 2215:25 Double Ambig)
&rst
ixpk= 2215, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 76, 77, 79, 80,
igr2= 73, 74, 73, 74,
&end
#
# 5 PRO HG- 5 PRO HD+ 4.50 (# 2216:25 Unique 1.90, 2.61 A)
&rst
ixpk= 2216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 76, 77,
igr2= 73, 74,
&end
#
# 4 LEU HA 5 PRO HD+ 3.50 (# 2221:25 Unique 2.02, 2.43 A)
&rst
ixpk= 2221, nxpk= 25, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 73, 74,
&end
#
# 73 PRO HA 78 PRO HD- 4.50 (# 2224:25 Unique 4.58, 5.18 A)
&rst
ixpk= 2224, nxpk= 25, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1284,1285,
&end
#
# 0 AMB 25-3:2225 45 THR QG2 4.50 (# 2225:25 Single Ambig)
&rst
ixpk= 2225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 720, 721, 722, 724, 725, 726, 720, 721, 722, 724,
725, 726,
igr2= 758, 759, 760,
&end
#
# 0 AMB 25-3:2227 45 THR QG2 4.50 (# 2227:25 Single Ambig)
&rst
ixpk= 2227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 715, 716, 770, 771,
igr2= 758, 759, 760,
&end
#
# 0 AMB 25-3:2228 45 THR QG2 4.50 (# 2228:25 Single Ambig)
&rst
ixpk= 2228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 789, 790, 811, 812, 811, 812,
igr2= 758, 759, 760,
&end
#
# 48 MET HG- 45 THR QG2 5.50 (# 2231:25 Unique 3.07, 5.14 A)
&rst
ixpk= 2231, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 814, 815,
igr2= 758, 759, 760,
&end
#
# 45 THR HB 45 THR QG2 3.50 (# 2233:25 Unique 2.36, 2.67 A)
&rst
ixpk= 2233, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 758, 759, 760,
&end
#
# 0 AMB 25-3:2235 45 THR QG2 4.50 (# 2235:25 Single Ambig)
&rst
ixpk= 2235, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 752, 807,
igr2= 758, 759, 760,
&end
#
# 0 AMB 25-3:2237 6 ASN HA 3.50 (# 2237:25 Single Ambig)
&rst
ixpk= 2237, nxpk= 25, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 90, 91, 90, 91,
&end
#
# 59 ILE QG2 6 ASN HA 4.50 (# 2238:25 Unique 2.14, 3.86 A)
&rst
ixpk= 2238, nxpk= 25, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1000,1001,1002,
&end
#
# 7 GLN HN 6 ASN HA 4.50 (# 2239:25 Unique 2.12, 2.49 A)
&rst
ixpk= 2239, nxpk= 25, iat= 100, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2240 6 ASN HA 4.50 (# 2240:25 Single Ambig)
&rst
ixpk= 2240, nxpk= 25, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1007,1008,1009,1004,1005, 137, 138, 139,
&end
#
# 0 AMB 25-3:2241 78 PRO HD- 4.50 (# 2241:25 Single Ambig)
&rst
ixpk= 2241, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1287,1288,1290,1291,
igr2=1284,1285,
&end
#
# 0 AMB 25-3:2242 0 AMB 25-1:2242 4.50 (# 2242:25 Double Ambig)
&rst
ixpk= 2242, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1287,1288,1290,1291,
igr2=1284,1285,1284,1285,
&end
#
# 30 ILE QG2 69 MET QE 4.50 (# 2243:25 Unique 2.40, 5.69 A)
&rst
ixpk= 2243, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 511, 512, 513,
igr2=1144,1145,1146,
&end
#
# 30 ILE HB 69 MET QE 4.50 (# 2244:25 Unique 2.78, 4.14 A)
&rst
ixpk= 2244, nxpk= 25, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1144,1145,1146,
&end
#
# 30 ILE QD1 69 MET QE 3.50 (# 2245:25 Unique 2.36, 4.36 A)
&rst
ixpk= 2245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 518, 519, 520,
igr2=1144,1145,1146,
&end
#
# 81 ILE QD1 69 MET QE 4.50 (# 2246:25 Unique 4.17, 6.36 A)
&rst
ixpk= 2246, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1344,1345,1346,
igr2=1144,1145,1146,
&end
#
# 0 AMB 25-3:2248 69 MET QE 3.50 (# 2248:25 Single Ambig)
&rst
ixpk= 2248, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1137,1138,1140,1141,
igr2=1144,1145,1146,
&end
#
# 79 MET HB+ 69 MET QE 4.50 (# 2249:25 Unique 4.31, 6.44 A)
&rst
ixpk= 2249, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1301,1302,
igr2=1144,1145,1146,
&end
#
# 79 MET HG- 69 MET QE 5.50 (# 2250:25 Unique 2.62, 5.44 A)
&rst
ixpk= 2250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1304,1305,
igr2=1144,1145,1146,
&end
#
# 0 AMB 25-3:2251 69 MET QE 3.50 (# 2251:25 Single Ambig)
&rst
ixpk= 2251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1178,1179,1212,1213,
igr2=1144,1145,1146,
&end
#
# 0 AMB 25-3:2252 69 MET QE 3.50 (# 2252:25 Single Ambig)
&rst
ixpk= 2252, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1178,1179,1212,1213,
igr2=1144,1145,1146,
&end
#
# 31 PHE QE 69 MET QE 4.50 (# 2253:25 Unique 2.64, 4.67 A)
&rst
ixpk= 2253, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 534, 538,
igr2=1144,1145,1146,
&end
#
# 70 GLN HN 69 MET QE 5.50 (# 2254:25 Unique 5.16, 6.78 A)
&rst
ixpk= 2254, nxpk= 25, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1144,1145,1146,
&end
#
# 72 PHE QD 69 MET QE 3.50 (# 2255:25 Unique 2.35, 4.25 A)
&rst
ixpk= 2255, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1182,1190,
igr2=1144,1145,1146,
&end
#
# 74 PHE QE 69 MET QE 4.50 (# 2256:25 Unique 3.57, 6.72 A)
&rst
ixpk= 2256, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1218,1222,
igr2=1144,1145,1146,
&end
#
# 0 AMB 25-3:2257 69 MET QE 4.50 (# 2257:25 Single Ambig)
&rst
ixpk= 2257, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1216,1224,1184,1188,
igr2=1144,1145,1146,
&end
#
# 0 AMB 25-3:2258 69 MET QE 4.50 (# 2258:25 Single Ambig)
&rst
ixpk= 2258, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 524,1174, 544,
igr2=1144,1145,1146,
&end
#
# 0 AMB 25-3:2260 79 MET QE 5.50 (# 2260:25 Single Ambig)
&rst
ixpk= 2260, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 181, 182,1344,1345,1346,
igr2=1308,1309,1310,
&end
#
# 11 ILE QG2 79 MET QE 5.50 (# 2261:25 Unique 2.25, 3.54 A)
&rst
ixpk= 2261, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 177, 178, 179,
igr2=1308,1309,1310,
&end
#
# 52 ALA QB 48 MET QE 5.50 (# 2262:25 Unique 4.09, 5.29 A)
&rst
ixpk= 2262, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 876, 877, 878,
igr2= 818, 819, 820,
&end
#
# 42 ALA QB 48 MET QE 4.50 (# 2264:25 Unique 4.02, 5.96 A)
&rst
ixpk= 2264, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 705, 706, 707,
igr2= 818, 819, 820,
&end
#
# 11 ILE HB 79 MET QE 4.50 (# 2265:25 Unique 4.44, 5.46 A)
&rst
ixpk= 2265, nxpk= 25, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1308,1309,1310,
&end
#
# 47 LYS HG+ 48 MET QE 5.50 (# 2266:25 Unique 4.01, 6.94 A)
&rst
ixpk= 2266, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 792, 793,
igr2= 818, 819, 820,
&end
#
# 0 AMB 25-3:2268 79 MET QE 4.50 (# 2268:25 Single Ambig)
&rst
ixpk= 2268, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1341,1342,1341,1342,
igr2=1308,1309,1310,
&end
#
# 0 AMB 25-3:2269 79 MET QE 3.50 (# 2269:25 Single Ambig)
&rst
ixpk= 2269, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1301,1302,1265,1266,
igr2=1308,1309,1310,
&end
#
# 48 MET HG+ 48 MET QE 3.50 (# 2270:25 Unique 2.27, 3.63 A)
&rst
ixpk= 2270, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 814, 815,
igr2= 818, 819, 820,
&end
#
# 69 MET QE 79 MET QE 3.50 (# 2271:25 Unique 4.02, 7.37 A)
&rst
ixpk= 2271, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145,1146,
igr2=1308,1309,1310,
&end
#
# 0 AMB 25-3:2274 48 MET QE 3.50 (# 2274:25 Single Ambig)
&rst
ixpk= 2274, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 859, 860, 859, 860, 862, 863,
igr2= 818, 819, 820,
&end
#
# 79 MET HG- 79 MET QE 4.50 (# 2275:25 Unique 2.23, 3.61 A)
&rst
ixpk= 2275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1304,1305,
igr2=1308,1309,1310,
&end
#
# 0 AMB 25-3:2276 48 MET QE 4.50 (# 2276:25 Single Ambig)
&rst
ixpk= 2276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 814, 815, 886, 887, 886, 887,
igr2= 818, 819, 820,
&end
#
# 48 MET HA 48 MET QE 4.50 (# 2277:25 Unique 2.05, 3.14 A)
&rst
ixpk= 2277, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 818, 819, 820,
&end
#
# 52 ALA HA 48 MET QE 4.50 (# 2279:25 Unique 2.10, 2.82 A)
&rst
ixpk= 2279, nxpk= 25, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 818, 819, 820,
&end
#
# 53 PHE QD 48 MET QE 4.50 (# 2280:25 Unique 2.28, 4.47 A)
&rst
ixpk= 2280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 890, 898,
igr2= 818, 819, 820,
&end
#
# 53 PHE QE 48 MET QE 4.50 (# 2281:25 Unique 2.59, 4.66 A)
&rst
ixpk= 2281, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 892, 896,
igr2= 818, 819, 820,
&end
#
# 74 PHE QD 79 MET QE 5.50 (# 2282:25 Unique 2.72, 4.65 A)
&rst
ixpk= 2282, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1216,1224,
igr2=1308,1309,1310,
&end
#
# 53 PHE HN 48 MET QE 4.50 (# 2284:25 Unique 2.39, 3.55 A)
&rst
ixpk= 2284, nxpk= 25, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 818, 819, 820,
&end
#
# 0 AMB 25-3:2286 40 ILE QG2 2.80 (# 2286:25 Single Ambig)
&rst
ixpk= 2286, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 670, 407, 408, 676, 677,
igr2= 672, 673, 674,
&end
#
# 0 AMB 25-3:2287 40 ILE QG2 3.50 (# 2287:25 Single Ambig)
&rst
ixpk= 2287, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 407, 408, 705, 706, 707,
igr2= 672, 673, 674,
&end
#
# 52 ALA QB 40 ILE QG2 4.50 (# 2288:25 Unique 3.64, 5.39 A)
&rst
ixpk= 2288, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 876, 877, 878,
igr2= 672, 673, 674,
&end
#
# 54 VAL QG- 40 ILE QG2 4.50 (# 2289:25 Unique 3.10, 5.87 A)
&rst
ixpk= 2289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 908, 909, 910, 912, 913, 914,
igr2= 672, 673, 674,
&end
#
# 0 AMB 25-3:2290 40 ILE QG2 4.50 (# 2290:25 Single Ambig)
&rst
ixpk= 2290, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 687, 904,
igr2= 672, 673, 674,
&end
#
# 40 ILE HA 40 ILE QG2 3.50 (# 2291:25 Unique 2.45, 3.20 A)
&rst
ixpk= 2291, nxpk= 25, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 672, 673, 674,
&end
#
# 41 VAL HN 40 ILE QG2 3.50 (# 2292:25 Unique 2.62, 3.34 A)
&rst
ixpk= 2292, nxpk= 25, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 672, 673, 674,
&end
#
# 0 AMB 25-3:2293 40 ILE QG2 5.50 (# 2293:25 Single Ambig)
&rst
ixpk= 2293, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 666, 474,
igr2= 672, 673, 674,
&end
#
# 23 LEU QD2 40 ILE QG2 4.50 (# 2294:25 Unique 3.79, 5.33 A)
&rst
ixpk= 2294, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 394, 395, 396,
igr2= 672, 673, 674,
&end
#
# 27 LEU QD1 40 ILE QG2 2.80 (# 2295:25 Unique 2.03, 3.34 A)
&rst
ixpk= 2295, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 464, 465, 466,
igr2= 672, 673, 674,
&end
#
# 24 LYS HA 40 ILE QG2 4.50 (# 2296:25 Unique 2.26, 3.54 A)
&rst
ixpk= 2296, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 672, 673, 674,
&end
#
# 0 AMB 25-3:2297 0 AMB 25-1:2297 3.50 (# 2297:25 Double Ambig)
&rst
ixpk= 2297, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 720, 721, 722, 724, 725, 726, 720, 721, 722, 724,
725, 726,
igr2= 715, 716, 715, 716,
&end
#
# 0 AMB 25-3:2298 43 LEU HB- 3.50 (# 2298:25 Single Ambig)
&rst
ixpk= 2298, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 720, 721, 722, 724, 725, 726, 720, 721, 722, 724,
725, 726,
igr2= 715, 716,
&end
#
# 0 AMB 25-3:2301 0 AMB 25-1:2301 3.50 (# 2301:25 Double Ambig)
&rst
ixpk= 2301, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 779, 780, 781, 775, 776, 777,
igr2= 770, 771, 770, 771,
&end
#
# 0 AMB 25-3:2302 46 LEU HB- 3.50 (# 2302:25 Single Ambig)
&rst
ixpk= 2302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 779, 780, 781, 775, 776, 777,
igr2= 770, 771,
&end
#
# 46 LEU HA 46 LEU HB+ 4.50 (# 2303:25 Unique 1.94, 2.69 A)
&rst
ixpk= 2303, nxpk= 25, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 770, 771,
&end
#
# 46 LEU HA 46 LEU HB- 4.50 (# 2304:25 Unique 1.94, 2.69 A)
&rst
ixpk= 2304, nxpk= 25, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 770, 771,
&end
#
# 44 LYS HA 46 LEU HB- 7.00 (# 2307:25 Unique 6.13, 7.57 A)
&rst
ixpk= 2307, nxpk= 25, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 770, 771,
&end
#
# 45 THR QG2 45 THR HB 2.80 (# 2309:25 Unique 2.36, 2.67 A)
&rst
ixpk= 2309, nxpk= 25, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 758, 759, 760,
&end
#
# 30 ILE QG2 30 ILE HB 3.50 (# 2312:25 Unique 2.34, 2.67 A)
&rst
ixpk= 2312, nxpk= 25, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 511, 512, 513,
&end
#
# 30 ILE QD1 30 ILE HB 4.50 (# 2313:25 Unique 2.35, 3.13 A)
&rst
ixpk= 2313, nxpk= 25, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 518, 519, 520,
&end
#
# 30 ILE HG1- 30 ILE HB 4.50 (# 2314:25 Unique 2.45, 2.80 A)
&rst
ixpk= 2314, nxpk= 25, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 515, 516,
&end
#
# 30 ILE HG1+ 30 ILE HB 4.50 (# 2315:25 Unique 2.45, 2.80 A)
&rst
ixpk= 2315, nxpk= 25, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 515, 516,
&end
#
# 30 ILE HA 30 ILE HB 5.50 (# 2316:25 Unique 2.41, 2.64 A)
&rst
ixpk= 2316, nxpk= 25, iat= 507, 509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2317 30 ILE HB 5.50 (# 2317:25 Single Ambig)
&rst
ixpk= 2317, nxpk= 25, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 567, 568,1216,1224,1184,1188,
&end
#
# 0 AMB 25-3:2318 30 ILE HB 4.50 (# 2318:25 Single Ambig)
&rst
ixpk= 2318, nxpk= 25, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 580, 588, 572,
&end
#
# 31 PHE HN 30 ILE HB 5.50 (# 2319:25 Unique 2.35, 3.42 A)
&rst
ixpk= 2319, nxpk= 25, iat= 524, 509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 THR QG2 68 THR HB 3.50 (# 2320:25 Unique 2.41, 2.67 A)
&rst
ixpk= 2320, nxpk= 25, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1125,1126,1127,
&end
#
# 8 THR QG2 8 THR HB 4.50 (# 2321:25 Unique 2.32, 2.67 A)
&rst
ixpk= 2321, nxpk= 25, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 123, 124, 125,
&end
#
# 68 THR HN 68 THR HB 4.50 (# 2324:25 Unique 2.53, 2.58 A)
&rst
ixpk= 2324, nxpk= 25, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2325 0 AMB 25-1:2325 4.50 (# 2325:25 Double Ambig)
&rst
ixpk= 2325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 102, 368,
igr2= 107, 108, 373, 374,
&end
#
# 0 AMB 25-3:2326 0 AMB 25-1:2326 4.50 (# 2326:25 Double Ambig)
&rst
ixpk= 2326, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 102, 368,
igr2= 107, 108, 373, 374,
&end
#
# 18 ILE QG2 22 GLU HG+ 5.50 (# 2327:25 Unique 4.04, 5.45 A)
&rst
ixpk= 2327, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 294, 295, 296,
igr2= 373, 374,
&end
#
# 18 ILE QG2 22 GLU HG- 4.50 (# 2328:25 Unique 4.04, 5.45 A)
&rst
ixpk= 2328, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 294, 295, 296,
igr2= 373, 374,
&end
#
# 22 GLU HN 22 GLU HG- 5.50 (# 2331:25 Unique 1.89, 2.96 A)
&rst
ixpk= 2331, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 373, 374,
&end
#
# 22 GLU HN 22 GLU HG+ 5.50 (# 2332:25 Unique 1.89, 2.96 A)
&rst
ixpk= 2332, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 373, 374,
&end
#
# 0 AMB 25-3:2333 0 AMB 25-1:2333 4.50 (# 2333:25 Double Ambig)
&rst
ixpk= 2333, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 100, 381,
igr2= 107, 108, 373, 374,
&end
#
# 0 AMB 25-3:2334 3 MET HG- 3.50 (# 2334:25 Single Ambig)
&rst
ixpk= 2334, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 40, 41, 40, 41,
igr2= 43, 44,
&end
#
# 0 AMB 25-3:2335 3 MET HG- 5.50 (# 2335:25 Single Ambig)
&rst
ixpk= 2335, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 38,1043,
igr2= 43, 44,
&end
#
# 61 SER HA 61 SER HB- 5.50 (# 2340:25 Unique 2.35, 2.74 A)
&rst
ixpk= 2340, nxpk= 25, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1024,1025,
&end
#
# 90 ILE HG1- 90 ILE HA 5.50 (# 2343:25 Unique 3.52, 3.82 A)
&rst
ixpk= 2343, nxpk= 25, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1470,1471,
&end
#
# 90 ILE HN 90 ILE HA 5.50 (# 2346:25 Unique 2.84, 2.89 A)
&rst
ixpk= 2346, nxpk= 25, iat=1460,1462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2348 25 LYS HA 5.50 (# 2348:25 Single Ambig)
&rst
ixpk= 2348, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 432, 433, 432, 433,
&end
#
# 24 LYS HB- 25 LYS HA 5.50 (# 2349:25 Unique 3.49, 4.73 A)
&rst
ixpk= 2349, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 404, 405,
&end
#
# 0 AMB 25-3:2350 25 LYS HA 3.50 (# 2350:25 Single Ambig)
&rst
ixpk= 2350, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 426, 427, 426, 427,
&end
#
# 28 TYR HB+ 25 LYS HA 4.50 (# 2351:25 Unique 2.68, 3.58 A)
&rst
ixpk= 2351, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 478, 479,
&end
#
# 28 TYR QD 25 LYS HA 5.50 (# 2352:25 Unique 2.16, 5.12 A)
&rst
ixpk= 2352, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 482, 491,
&end
#
# 66 LEU MDX 82 ALA QB 5.50 (# 2357:25 Unique 4.28, 6.23 A)
&rst
ixpk= 2357, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1354,1355,1356,
&end
#
# 0 AMB 25-3:2360 82 ALA QB 4.50 (# 2360:25 Single Ambig)
&rst
ixpk= 2360, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 154, 155, 154, 155,
igr2=1354,1355,1356,
&end
#
# 82 ALA HA 82 ALA QB 2.80 (# 2361:25 Unique 2.45, 2.69 A)
&rst
ixpk= 2361, nxpk= 25, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1354,1355,1356,
&end
#
# 0 AMB 25-3:2362 82 ALA QB 5.50 (# 2362:25 Single Ambig)
&rst
ixpk= 2362, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1333, 152,
igr2=1354,1355,1356,
&end
#
# 0 AMB 25-3:2363 82 ALA QB 4.50 (# 2363:25 Single Ambig)
&rst
ixpk= 2363, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 158, 167, 160, 165,
igr2=1354,1355,1356,
&end
#
# 83 TYR QD 82 ALA QB 5.50 (# 2364:25 Unique 3.33, 5.81 A)
&rst
ixpk= 2364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1368,1377,
igr2=1354,1355,1356,
&end
#
# 83 TYR HN 82 ALA QB 2.80 (# 2365:25 Unique 1.88, 3.12 A)
&rst
ixpk= 2365, nxpk= 25, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1354,1355,1356,
&end
#
# 82 ALA HN 82 ALA QB 3.50 (# 2366:25 Unique 2.74, 3.43 A)
&rst
ixpk= 2366, nxpk= 25, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1354,1355,1356,
&end
#
# 0 AMB 25-3:2370 43 LEU QD- 3.50 (# 2370:25 Single Ambig)
&rst
ixpk= 2370, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 758, 759, 760, 705, 706, 707,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 0 AMB 25-3:2372 43 LEU QD- 2.80 (# 2372:25 Single Ambig)
&rst
ixpk= 2372, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 718, 715, 716,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 4 LEU HB- 4 LEU MDY 2.80 (# 2373:25 Unique 2.33, 3.43 A)
&rst
ixpk= 2373, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 57, 58,
igr2= 62, 63, 64, 66, 67, 68,
&end
#
# 0 AMB 25-3:2374 0 AMB 25-1:2374 2.80 (# 2374:25 Double Ambig)
&rst
ixpk= 2374, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 718, 715, 716, 60,
igr2= 720, 721, 722, 724, 725, 726, 62, 63, 64, 66,
67, 68,
&end
#
# 0 AMB 25-3:2375 43 LEU QD- 5.50 (# 2375:25 Single Ambig)
&rst
ixpk= 2375, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 811, 812, 811, 812,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 5 PRO HG- 4 LEU MDY 5.50 (# 2376:25 Unique 4.50, 7.36 A)
&rst
ixpk= 2376, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 76, 77,
igr2= 62, 63, 64, 66, 67, 68,
&end
#
# 0 AMB 25-3:2377 0 AMB 25-1:2377 4.50 (# 2377:25 Double Ambig)
&rst
ixpk= 2377, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 339, 340, 79, 80,
igr2= 720, 721, 722, 724, 725, 726, 62, 63, 64, 66,
67, 68,
&end
#
# 5 PRO HD+ 4 LEU MDY 4.50 (# 2378:25 Unique 2.51, 5.26 A)
&rst
ixpk= 2378, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 73, 74,
igr2= 62, 63, 64, 66, 67, 68,
&end
#
# 5 PRO HD- 4 LEU MDY 4.50 (# 2379:25 Unique 2.51, 5.26 A)
&rst
ixpk= 2379, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 73, 74,
igr2= 62, 63, 64, 66, 67, 68,
&end
#
# 43 LEU HA 43 LEU QD- 3.50 (# 2380:25 Unique 2.21, 4.05 A)
&rst
ixpk= 2380, nxpk= 25, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 0 AMB 25-3:2381 0 AMB 25-1:2381 3.50 (# 2381:25 Double Ambig)
&rst
ixpk= 2381, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 55, 713,
igr2= 62, 63, 64, 66, 67, 68, 720, 721, 722, 724,
725, 726,
&end
#
# 45 THR HB 43 LEU QD- 5.50 (# 2390:25 Unique 3.04, 5.94 A)
&rst
ixpk= 2390, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 53 PHE QD 8 THR QG2 4.50 (# 2391:25 Unique 2.34, 5.06 A)
&rst
ixpk= 2391, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 890, 898,
igr2= 123, 124, 125,
&end
#
# 8 THR HN 8 THR QG2 5.50 (# 2393:25 Unique 4.44, 4.69 A)
&rst
ixpk= 2393, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 123, 124, 125,
&end
#
# 0 AMB 25-3:2394 0 AMB 25-1:2394 2.80 (# 2394:25 Double Ambig)
&rst
ixpk= 2394, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 131, 882,
igr2= 123, 124, 125, 876, 877, 878,
&end
#
# 8 THR HA 8 THR QG2 4.50 (# 2395:25 Unique 2.36, 3.06 A)
&rst
ixpk= 2395, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 123, 124, 125,
&end
#
# 53 PHE HA 0 AMB 25-1:2396 5.50 (# 2396:25 Single Ambig)
&rst
ixpk= 2396, nxpk= 25, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 123, 124, 125, 876, 877, 878,
&end
#
# 0 AMB 25-3:2397 8 THR QG2 4.50 (# 2397:25 Single Ambig)
&rst
ixpk= 2397, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1385,1386,1385,1386,
igr2= 123, 124, 125,
&end
#
# 8 THR HB 8 THR QG2 4.50 (# 2398:25 Unique 2.32, 2.67 A)
&rst
ixpk= 2398, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 123, 124, 125,
&end
#
# 0 AMB 25-3:2399 8 THR QG2 4.50 (# 2399:25 Single Ambig)
&rst
ixpk= 2399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 886, 887, 886, 887,
igr2= 123, 124, 125,
&end
#
# 0 AMB 25-3:2401 38 LEU QD- 3.50 (# 2401:25 Single Ambig)
&rst
ixpk= 2401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 642, 639, 640,
igr2= 644, 645, 646, 648, 649, 650,
&end
#
# 0 AMB 25-3:2402 38 LEU QD- 4.50 (# 2402:25 Single Ambig)
&rst
ixpk= 2402, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 964, 965, 964, 965, 961, 962,
igr2= 644, 645, 646, 648, 649, 650,
&end
#
# 0 AMB 25-3:2403 38 LEU QD- 5.50 (# 2403:25 Single Ambig)
&rst
ixpk= 2403, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 967, 968, 967, 968, 922,
igr2= 644, 645, 646, 648, 649, 650,
&end
#
# 38 LEU HA 38 LEU QD- 4.50 (# 2405:25 Unique 2.24, 3.86 A)
&rst
ixpk= 2405, nxpk= 25, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 644, 645, 646, 648, 649, 650,
&end
#
# 0 AMB 25-3:2408 61 SER HA 4.50 (# 2408:25 Single Ambig)
&rst
ixpk= 2408, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1020,1061,1062,
&end
#
# 0 AMB 25-3:2413 10 TYR HA 5.50 (# 2413:25 Single Ambig)
&rst
ixpk= 2413, nxpk= 25, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 154, 155, 154, 155,
&end
#
# 10 TYR HA 0 AMB 25-1:2414 5.50 (# 2414:25 Single Ambig)
&rst
ixpk= 2414, nxpk= 25, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 154, 155, 154, 155,
&end
#
# 10 TYR QD 0 AMB 25-1:2415 5.50 (# 2415:25 Single Ambig)
&rst
ixpk= 2415, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 158, 167,
igr2= 154, 155, 154, 155,
&end
#
# 82 ALA QB 0 AMB 25-1:2418 5.50 (# 2418:25 Single Ambig)
&rst
ixpk= 2418, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1354,1355,1356,
igr2= 154, 155, 154, 155,
&end
#
# 11 ILE HA 11 ILE HG1- 5.50 (# 2419:25 Unique 2.37, 2.72 A)
&rst
ixpk= 2419, nxpk= 25, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 181, 182,
&end
#
# 11 ILE HA 11 ILE HG1+ 5.50 (# 2420:25 Unique 2.37, 2.72 A)
&rst
ixpk= 2420, nxpk= 25, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 181, 182,
&end
#
# 14 LEU HB- 14 LEU HA 5.50 (# 2421:25 Unique 2.50, 2.87 A)
&rst
ixpk= 2421, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 222, 223,
&end
#
# 27 LEU HN 27 LEU HG 5.50 (# 2422:25 Unique 2.47, 2.66 A)
&rst
ixpk= 2422, nxpk= 25, iat= 455, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE QG2 30 ILE HA 5.50 (# 2423:25 Unique 2.04, 2.91 A)
&rst
ixpk= 2423, nxpk= 25, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 511, 512, 513,
&end
#
# 30 ILE HB 30 ILE HA 5.50 (# 2424:25 Unique 2.41, 2.64 A)
&rst
ixpk= 2424, nxpk= 25, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2425 0 AMB 25-1:2425 5.50 (# 2425:25 Double Ambig)
&rst
ixpk= 2425, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 544, 599,
igr2= 548, 549, 548, 549,
&end
#
# 34 PHE HA 32 SER HB+ 7.00 (# 2427:25 Unique 7.37, 7.72 A)
&rst
ixpk= 2427, nxpk= 25, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 548, 549,
&end
#
# 32 SER HA 32 SER HB+ 5.50 (# 2428:25 Unique 2.34, 2.74 A)
&rst
ixpk= 2428, nxpk= 25, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 548, 549,
&end
#
# 31 PHE HB- 32 SER HB+ 5.50 (# 2430:25 Unique 4.67, 5.98 A)
&rst
ixpk= 2430, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 528, 529,
igr2= 548, 549,
&end
#
# 0 AMB 25-3:2431 44 LYS HA 5.50 (# 2431:25 Single Ambig)
&rst
ixpk= 2431, nxpk= 25, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 734, 735, 740, 741, 740, 741, 831, 832, 831, 832,
&end
#
# 0 AMB 25-3:2432 44 LYS HA 5.50 (# 2432:25 Single Ambig)
&rst
ixpk= 2432, nxpk= 25, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 828, 829, 828, 829, 811, 812, 811, 812,
&end
#
# 0 AMB 25-3:2434 44 LYS HA 5.50 (# 2434:25 Single Ambig)
&rst
ixpk= 2434, nxpk= 25, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 824, 807,
&end
#
# 45 THR QG2 45 THR HA 4.50 (# 2437:25 Unique 2.23, 2.98 A)
&rst
ixpk= 2437, nxpk= 25, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 758, 759, 760,
&end
#
# 55 ILE HG1+ 55 ILE HA 5.50 (# 2438:25 Unique 2.15, 3.32 A)
&rst
ixpk= 2438, nxpk= 25, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 928, 929,
&end
#
# 0 AMB 25-3:2439 55 ILE HA 5.50 (# 2439:25 Single Ambig)
&rst
ixpk= 2439, nxpk= 25, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 107, 108, 658, 659,
&end
#
# 0 AMB 25-3:2442 48 MET HA 3.50 (# 2442:25 Single Ambig)
&rst
ixpk= 2442, nxpk= 25, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 824, 807,
&end
#
# 0 AMB 25-3:2443 48 MET HA 4.50 (# 2443:25 Single Ambig)
&rst
ixpk= 2443, nxpk= 25, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 859, 860, 859, 860, 862, 863,
&end
#
# 0 AMB 25-3:2444 48 MET HA 4.50 (# 2444:25 Single Ambig)
&rst
ixpk= 2444, nxpk= 25, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 811, 812, 811, 812,
&end
#
# 51 GLN HN 50 GLY HA+ 7.00 (# 2445:25 Unique 2.59, 3.31 A)
&rst
ixpk= 2445, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 850, 851,
&end
#
# 51 GLN HN 50 GLY HA- 5.50 (# 2446:25 Unique 2.59, 3.31 A)
&rst
ixpk= 2446, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 850, 851,
&end
#
# 52 ALA QB 52 ALA HA 3.50 (# 2447:25 Unique 2.35, 2.66 A)
&rst
ixpk= 2447, nxpk= 25, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 876, 877, 878,
&end
#
# 54 VAL QG+ 54 VAL HA 5.50 (# 2448:25 Unique 2.29, 3.59 A)
&rst
ixpk= 2448, nxpk= 25, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 908, 909, 910, 912, 913, 914,
&end
#
# 54 VAL QG- 54 VAL HA 4.50 (# 2449:25 Unique 2.29, 3.59 A)
&rst
ixpk= 2449, nxpk= 25, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 908, 909, 910, 912, 913, 914,
&end
#
# 40 ILE HA 54 VAL HA 5.50 (# 2450:25 Unique 2.17, 2.25 A)
&rst
ixpk= 2450, nxpk= 25, iat= 668, 904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE HN 54 VAL HA 4.50 (# 2451:25 Unique 1.84, 2.07 A)
&rst
ixpk= 2451, nxpk= 25, iat= 918, 904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 SER HN 61 SER HB- 5.50 (# 2452:25 Unique 2.52, 3.10 A)
&rst
ixpk= 2452, nxpk= 25, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1024,1025,
&end
#
# 68 THR HA 68 THR HB 4.50 (# 2453:25 Unique 3.04, 3.05 A)
&rst
ixpk= 2453, nxpk= 25, iat=1121,1123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2455 68 THR HB 5.50 (# 2455:25 Single Ambig)
&rst
ixpk= 2455, nxpk= 25, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1099,1100,1137,1138,
&end
#
# 77 LYS HN 77 LYS HA 5.50 (# 2456:25 Unique 2.85, 2.93 A)
&rst
ixpk= 2456, nxpk= 25, iat=1261,1263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 MET HA 79 MET HB+ 5.50 (# 2457:25 Unique 2.44, 2.80 A)
&rst
ixpk= 2457, nxpk= 25, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1301,1302,
&end
#
# 79 MET HA 79 MET HB- 5.50 (# 2458:25 Unique 2.44, 2.80 A)
&rst
ixpk= 2458, nxpk= 25, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1301,1302,
&end
#
# 79 MET HG+ 79 MET HB+ 5.50 (# 2459:25 Unique 2.25, 2.64 A)
&rst
ixpk= 2459, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1304,1305,
igr2=1301,1302,
&end
#
# 94 ILE QG2 90 ILE HG1+ 5.50 (# 2473:25 Unique 4.95, 6.58 A)
&rst
ixpk= 2473, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1533,1534,1535,
igr2=1470,1471,
&end
#
# 94 ILE QG2 90 ILE HG1- 5.50 (# 2474:25 Unique 4.95, 6.58 A)
&rst
ixpk= 2474, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1533,1534,1535,
igr2=1470,1471,
&end
#
# 91 VAL HB 90 ILE QG2 7.00 (# 2477:25 Unique 6.63, 7.29 A)
&rst
ixpk= 2477, nxpk= 25, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1466,1467,1468,
&end
#
# 91 VAL HN 91 VAL HA 5.50 (# 2480:25 Unique 2.76, 2.80 A)
&rst
ixpk= 2480, nxpk= 25, iat=1479,1481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 LYS HA 38 LEU QD- 5.50 (# 2481:25 Unique 2.27, 4.25 A)
&rst
ixpk= 2481, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 644, 645, 646, 648, 649, 650,
&end
#
# 41 VAL HA 41 VAL QG- 4.50 (# 2482:25 Unique 2.17, 3.19 A)
&rst
ixpk= 2482, nxpk= 25, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 46 LEU QD2 47 LYS HA 4.50 (# 2490:25 Unique 2.89, 4.77 A)
&rst
ixpk= 2490, nxpk= 25, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 779, 780, 781,
&end
#
# 0 AMB 25-3:2494 7 GLN HA 5.50 (# 2494:25 Single Ambig)
&rst
ixpk= 2494, nxpk= 25, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 117,1041,
&end
#
# 0 AMB 25-3:2502 59 ILE QD1 5.50 (# 2502:25 Single Ambig)
&rst
ixpk= 2502, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 90, 91, 90, 91,
igr2=1007,1008,1009,
&end
#
# 0 AMB 25-3:2503 59 ILE QD1 5.50 (# 2503:25 Single Ambig)
&rst
ixpk= 2503, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 983, 984, 104, 105,
igr2=1007,1008,1009,
&end
#
# 17 LYS HN 17 LYS HG- 4.50 (# 2508:25 Unique 2.29, 3.30 A)
&rst
ixpk= 2508, nxpk= 25, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 273, 274,
&end
#
# 77 LYS HE+ 77 LYS HD- 4.50 (# 2513:25 Unique 2.15, 2.72 A)
&rst
ixpk= 2513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1274,1275,
igr2=1271,1272,
&end
#
# 9 ILE HN 8 THR HA 4.50 (# 2514:25 Unique 2.12, 2.26 A)
&rst
ixpk= 2514, nxpk= 25, iat= 131, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 MET HN 2 GLU HA 3.50 (# 2515:25 Unique 2.18, 2.54 A)
&rst
ixpk= 2515, nxpk= 25, iat= 36, 23, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:2520 0 AMB 25-1:2520 3.50 (# 2520:25 Double Ambig)
&rst
ixpk= 2520, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 642, 639, 640, 222, 223,
igr2= 644, 645, 646, 648, 649, 650, 644, 645, 646, 648,
649, 650, 298, 299,
&end
#
# 0 AMB 25-3:2521 0 AMB 25-1:2521 3.50 (# 2521:25 Double Ambig)
&rst
ixpk= 2521, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 639, 640, 273, 274,
igr2= 644, 645, 646, 648, 649, 650, 298, 299,
&end
#
# 57 LYS HA 38 LEU QD+ 4.50 (# 2522:25 Unique 2.27, 4.25 A)
&rst
ixpk= 2522, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 644, 645, 646, 648, 649, 650,
&end
#
# 0 AMB 25-3:2523 0 AMB 25-1:2523 5.50 (# 2523:25 Double Ambig)
&rst
ixpk= 2523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 637, 220,
igr2= 644, 645, 646, 648, 649, 650, 298, 299,
&end
#
# 15 ASN HD2+ 18 ILE HG1- 5.50 (# 2524:25 Unique 2.48, 5.63 A)
&rst
ixpk= 2524, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 246, 247,
igr2= 298, 299,
&end
#
# 7 GLN HE2+ 38 LEU QD+ 5.50 (# 2525:25 Unique 2.55, 4.83 A)
&rst
ixpk= 2525, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 112, 113,
igr2= 644, 645, 646, 648, 649, 650,
&end
#
# 37 ILE QG2 37 ILE HA 5.50 (# 2527:25 Unique 2.26, 3.25 A)
&rst
ixpk= 2527, nxpk= 25, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 622, 623, 624,
&end
#
# 37 ILE HA 37 ILE HB 5.50 (# 2528:25 Unique 2.85, 3.03 A)
&rst
ixpk= 2528, nxpk= 25, iat= 618, 620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2532 40 ILE QD1 4.50 (# 2532:25 Single Ambig)
&rst
ixpk= 2532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 402, 476,
igr2= 679, 680, 681,
&end
#
# 41 VAL HN 41 VAL HA 5.50 (# 2533:25 Unique 2.77, 2.95 A)
&rst
ixpk= 2533, nxpk= 25, iat= 685, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2534 41 VAL HA 5.50 (# 2534:25 Single Ambig)
&rst
ixpk= 2534, nxpk= 25, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 689, 718, 670, 715, 716,
&end
#
# 0 AMB 25-3:2535 41 VAL HA 4.50 (# 2535:25 Single Ambig)
&rst
ixpk= 2535, nxpk= 25, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 691, 692, 693, 695, 696, 697, 672, 673, 674,
&end
#
# 41 VAL HN 41 VAL QG- 5.50 (# 2537:25 Unique 2.26, 4.27 A)
&rst
ixpk= 2537, nxpk= 25, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 691, 692, 693, 695, 696, 697,
&end
#
# 19 LYS HG- 19 LYS HA 4.50 (# 2538:25 Unique 2.37, 2.84 A)
&rst
ixpk= 2538, nxpk= 25, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 314, 315,
&end
#
# 0 AMB 25-3:2539 19 LYS HA 3.50 (# 2539:25 Single Ambig)
&rst
ixpk= 2539, nxpk= 25, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 317, 318, 317, 318, 311, 312,
&end
#
# 19 LYS HB+ 19 LYS HA 4.50 (# 2540:25 Unique 2.51, 2.80 A)
&rst
ixpk= 2540, nxpk= 25, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 311, 312,
&end
#
# 19 LYS HN 19 LYS HA 4.50 (# 2541:25 Unique 2.86, 2.89 A)
&rst
ixpk= 2541, nxpk= 25, iat= 307, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 PRO HD+ 4 LEU HB- 5.50 (# 2545:25 Unique 2.25, 4.01 A)
&rst
ixpk= 2545, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 73, 74,
igr2= 57, 58,
&end
#
# 5 PRO HD- 4 LEU HB+ 5.50 (# 2546:25 Unique 2.25, 4.01 A)
&rst
ixpk= 2546, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 73, 74,
igr2= 57, 58,
&end
#
# 4 LEU HN 4 LEU HB- 4.50 (# 2547:25 Unique 2.19, 3.05 A)
&rst
ixpk= 2547, nxpk= 25, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 57, 58,
&end
#
# 49 ARG HA 49 ARG HG- 5.50 (# 2549:25 Unique 2.26, 2.69 A)
&rst
ixpk= 2549, nxpk= 25, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 831, 832,
&end
#
# 54 VAL QG- 54 VAL HB 5.50 (# 2550:25 Unique 2.18, 2.64 A)
&rst
ixpk= 2550, nxpk= 25, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:2551 54 VAL HB 5.50 (# 2551:25 Single Ambig)
&rst
ixpk= 2551, nxpk= 25, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 131,
&end
#
# 52 ALA QB 54 VAL QG- 5.50 (# 2552:25 Unique 3.17, 6.58 A)
&rst
ixpk= 2552, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 876, 877, 878,
igr2= 908, 909, 910, 912, 913, 914,
&end
#
# 0 AMB 25-3:2553 0 AMB 25-1:2553 5.50 (# 2553:25 Double Ambig)
&rst
ixpk= 2553, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 918, 117,
igr2= 928, 929, 928, 929,
&end
#
# 59 ILE HA 59 ILE HB 5.50 (# 2554:25 Unique 2.37, 2.42 A)
&rst
ixpk= 2554, nxpk= 25, iat= 996, 998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 SER HN 62 ALA QB 5.50 (# 2555:25 Unique 4.41, 5.27 A)
&rst
ixpk= 2555, nxpk= 25, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1035,1036,1037,
&end
#
# 0 AMB 25-3:2556 0 AMB 25-1:2556 5.50 (# 2556:25 Double Ambig)
&rst
ixpk= 2556, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1041, 117,
igr2=1043, 920,
&end
#
# 0 AMB 25-3:2558 84 SER HB- 4.50 (# 2558:25 Single Ambig)
&rst
ixpk= 2558, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1392,1381,
igr2=1385,1386,
&end
#
# 0 AMB 25-3:2560 40 ILE QD1 3.50 (# 2560:25 Single Ambig)
&rst
ixpk= 2560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 622, 623, 624, 464, 465, 466,
igr2= 679, 680, 681,
&end
#
# 61 SER HB+ 61 SER HA 5.50 (# 2561:25 Unique 2.35, 2.74 A)
&rst
ixpk= 2561, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1024,1025,
&end
#
# 61 SER HB- 61 SER HA 5.50 (# 2562:25 Unique 2.35, 2.74 A)
&rst
ixpk= 2562, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1024,1025,
&end
#
# 0 AMB 25-3:2563 61 SER HA 5.50 (# 2563:25 Single Ambig)
&rst
ixpk= 2563, nxpk= 25, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1020,1061,1062,
&end
#
# 0 AMB 25-3:2568 0 AMB 25-1:2568 3.50 (# 2568:25 Double Ambig)
&rst
ixpk= 2568, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 758, 759, 760, 705, 706, 707,
igr2= 720, 721, 722, 724, 725, 726, 720, 721, 722, 724,
725, 726,
&end
#
# 0 AMB 25-3:2569 0 AMB 25-1:2569 2.80 (# 2569:25 Double Ambig)
&rst
ixpk= 2569, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 718, 715, 716,
igr2= 720, 721, 722, 724, 725, 726, 720, 721, 722, 724,
725, 726,
&end
#
# 48 MET QE 43 LEU QD+ 4.50 (# 2571:25 Unique 3.72, 7.60 A)
&rst
ixpk= 2571, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 818, 819, 820,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 48 MET HG- 43 LEU QD+ 5.50 (# 2572:25 Unique 2.22, 5.48 A)
&rst
ixpk= 2572, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 814, 815,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 43 LEU HA 43 LEU QD+ 5.50 (# 2573:25 Unique 2.21, 4.05 A)
&rst
ixpk= 2573, nxpk= 25, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 66 LEU MDY 3 MET QE 3.50 (# 2576:25 Unique 2.14, 5.10 A)
&rst
ixpk= 2576, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1085,1086,1087,1089,1090,1091,
igr2= 47, 48, 49,
&end
#
# 66 LEU HB+ 3 MET QE 4.50 (# 2578:25 Unique 2.46, 6.15 A)
&rst
ixpk= 2578, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1080,1081,
igr2= 47, 48, 49,
&end
#
# 67 ARG HG+ 3 MET QE 3.50 (# 2579:25 Unique 2.23, 4.07 A)
&rst
ixpk= 2579, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1102,1103,
igr2= 47, 48, 49,
&end
#
# 0 AMB 25-3:2580 3 MET QE 2.80 (# 2580:25 Single Ambig)
&rst
ixpk= 2580, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 25, 26,1157,1158,
igr2= 47, 48, 49,
&end
#
# 70 GLN HE2- 3 MET QE 4.50 (# 2587:25 Unique 2.11, 4.02 A)
&rst
ixpk= 2587, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1162,1163,
igr2= 47, 48, 49,
&end
#
# 0 AMB 25-3:2589 46 LEU QD2 2.80 (# 2589:25 Single Ambig)
&rst
ixpk= 2589, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 773, 770, 771,
igr2= 779, 780, 781,
&end
#
# 12 ASN HB- 12 ASN HA 5.50 (# 2591:25 Unique 2.39, 2.66 A)
&rst
ixpk= 2591, nxpk= 25, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 194, 195,
&end
#
# 70 GLN HE2+ 81 ILE HN 4.50 (# 0:10 Unique 2.13, 3.52 A)
&rst
ixpk= 0, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1162,1163,
&end
#
# 80 GLN HA 81 ILE HN 2.80 (# 1:10 Unique 2.17, 2.26 A)
&rst
ixpk= 1, nxpk= 10, iat=1316,1331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:2 81 ILE HN 5.50 (# 2:10 Single Ambig)
&rst
ixpk= 2, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1321,1322,1321,1322,
&end
#
# 81 ILE HB 81 ILE HN 3.50 (# 3:10 Unique 2.78, 2.93 A)
&rst
ixpk= 3, nxpk= 10, iat=1335,1331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ASP HN 38 LEU HN 3.50 (# 4:10 Unique 1.90, 2.00 A)
&rst
ixpk= 4, nxpk= 10, iat= 654, 635, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LEU HA 38 LEU HN 4.50 (# 5:10 Unique 2.79, 2.95 A)
&rst
ixpk= 5, nxpk= 10, iat= 637, 635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ILE HA 38 LEU HN 3.50 (# 6:10 Unique 2.04, 2.23 A)
&rst
ixpk= 6, nxpk= 10, iat= 618, 635, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LEU HB+ 38 LEU HN 3.50 (# 7:10 Unique 2.10, 2.77 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 639, 640,
&end
#
# 38 LEU HB- 38 LEU HN 3.50 (# 8:10 Unique 2.10, 2.77 A)
&rst
ixpk= 8, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 639, 640,
&end
#
# 0 AMB 10-2:9 38 LEU HN 3.50 (# 9:10 Single Ambig)
&rst
ixpk= 9, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 924, 925, 926, 644, 645, 646, 648, 649, 650,
&end
#
# 37 ILE QG2 38 LEU HN 3.50 (# 10:10 Unique 2.42, 3.19 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 622, 623, 624,
&end
#
# 0 AMB 10-2:11 81 ILE HN 4.50 (# 11:10 Single Ambig)
&rst
ixpk= 11, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1344,1345,1346, 181, 182,
&end
#
# 82 ALA HN 10 TYR HN 4.50 (# 12:10 Unique 2.66, 2.87 A)
&rst
ixpk= 12, nxpk= 10, iat=1350, 150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:14 10 TYR HN 2.80 (# 14:10 Single Ambig)
&rst
ixpk= 14, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 154, 155, 154, 155,
&end
#
# 9 ILE HB 10 TYR HN 3.50 (# 15:10 Unique 2.17, 2.50 A)
&rst
ixpk= 15, nxpk= 10, iat= 135, 150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:16 10 TYR HN 3.50 (# 16:10 Single Ambig)
&rst
ixpk= 16, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 137, 138, 139, 181, 182,
&end
#
# 9 ILE HA 10 TYR HN 2.80 (# 17:10 Unique 2.04, 2.31 A)
&rst
ixpk= 17, nxpk= 10, iat= 133, 150, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:18 10 TYR HN 5.50 (# 18:10 Single Ambig)
&rst
ixpk= 18, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 158, 167, 160, 165,
&end
#
# 22 GLU HN 21 GLU HN 5.50 (# 19:10 Unique 2.73, 2.82 A)
&rst
ixpk= 19, nxpk= 10, iat= 366, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLU HA 21 GLU HN 3.50 (# 21:10 Unique 2.79, 2.83 A)
&rst
ixpk= 21, nxpk= 10, iat= 353, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:22 21 GLU HN 2.80 (# 22:10 Single Ambig)
&rst
ixpk= 22, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 355, 356, 355, 356, 311, 312,
&end
#
# 0 AMB 10-2:23 21 GLU HN 4.50 (# 23:10 Single Ambig)
&rst
ixpk= 23, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 333, 334, 311, 312,
&end
#
# 21 GLU HG+ 21 GLU HN 5.50 (# 24:10 Unique 4.22, 4.41 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 358, 359,
&end
#
# 14 LEU HG 15 ASN HN 5.50 (# 25:10 Unique 3.27, 3.78 A)
&rst
ixpk= 25, nxpk= 10, iat= 225, 237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 LEU HB- 15 ASN HN 5.50 (# 26:10 Unique 2.59, 3.72 A)
&rst
ixpk= 26, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 222, 223,
&end
#
# 15 ASN HB+ 15 ASN HN 3.50 (# 27:10 Unique 2.25, 2.65 A)
&rst
ixpk= 27, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 241, 242,
&end
#
# 15 ASN HB- 15 ASN HN 3.50 (# 28:10 Unique 2.25, 2.65 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 241, 242,
&end
#
# 15 ASN HA 15 ASN HN 3.50 (# 29:10 Unique 2.85, 2.93 A)
&rst
ixpk= 29, nxpk= 10, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 LEU HA 15 ASN HN 2.80 (# 30:10 Unique 2.05, 2.37 A)
&rst
ixpk= 30, nxpk= 10, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:31 15 ASN HN 5.50 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 279, 280, 279, 280,
&end
#
# 16 GLU HB+ 16 GLU HN 3.50 (# 32:10 Unique 2.28, 2.98 A)
&rst
ixpk= 32, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 0 AMB 10-2:33 16 GLU HN 3.50 (# 33:10 Single Ambig)
&rst
ixpk= 33, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 258, 259, 255, 256,
&end
#
# 16 GLU HG+ 16 GLU HN 4.50 (# 34:10 Unique 2.08, 3.20 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 258, 259,
&end
#
# 0 AMB 10-2:35 16 GLU HN 4.50 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 253, 850, 851,
&end
#
# 15 ASN HA 16 GLU HN 2.80 (# 36:10 Unique 1.85, 2.10 A)
&rst
ixpk= 36, nxpk= 10, iat= 239, 251, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:37 16 GLU HN 5.50 (# 37:10 Single Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 220, 826,
&end
#
# 17 LYS HN 16 GLU HN 4.50 (# 38:10 Unique 3.03, 3.29 A)
&rst
ixpk= 38, nxpk= 10, iat= 266, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 TYR HA 75 TYR HN 4.50 (# 39:10 Unique 2.80, 2.91 A)
&rst
ixpk= 39, nxpk= 10, iat=1230,1228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:40 75 TYR HN 3.50 (# 40:10 Single Ambig)
&rst
ixpk= 40, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1210,1293,
&end
#
# 0 AMB 10-2:41 75 TYR HN 5.50 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1308,1309,1310,1290,1291,
&end
#
# 77 LYS HB- 75 TYR HN 5.50 (# 42:10 Unique 2.89, 4.87 A)
&rst
ixpk= 42, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1265,1266,
&end
#
# 79 MET HB+ 75 TYR HN 7.00 (# 43:10 Unique 6.27, 7.11 A)
&rst
ixpk= 43, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1301,1302,
&end
#
# 49 ARG HA 50 GLY HN 4.50 (# 44:10 Unique 3.47, 3.57 A)
&rst
ixpk= 44, nxpk= 10, iat= 826, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLY HA+ 50 GLY HN 4.50 (# 46:10 Unique 2.07, 2.68 A)
&rst
ixpk= 46, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:47 82 ALA HN 3.50 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1352, 173,
&end
#
# 81 ILE HA 82 ALA HN 2.80 (# 48:10 Unique 1.95, 2.26 A)
&rst
ixpk= 48, nxpk= 10, iat=1333,1350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 ALA QB 82 ALA HN 3.50 (# 49:10 Unique 2.74, 3.43 A)
&rst
ixpk= 49, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1354,1355,1356,
&end
#
# 81 ILE QG2 82 ALA HN 3.50 (# 50:10 Unique 1.83, 2.94 A)
&rst
ixpk= 50, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1337,1338,1339,
&end
#
# 0 AMB 10-2:51 82 ALA HN 4.50 (# 51:10 Single Ambig)
&rst
ixpk= 51, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1344,1345,1346, 137, 138, 139,
&end
#
# 10 TYR HN 82 ALA HN 4.50 (# 52:10 Unique 2.66, 2.87 A)
&rst
ixpk= 52, nxpk= 10, iat= 150,1350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:53 27 LEU HN 3.50 (# 53:10 Single Ambig)
&rst
ixpk= 53, nxpk= 10, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 464, 465, 466, 468, 469, 470,
&end
#
# 27 LEU HB- 27 LEU HN 5.50 (# 54:10 Unique 2.22, 2.94 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 459, 460,
&end
#
# 27 LEU HG 27 LEU HN 3.50 (# 55:10 Unique 2.47, 2.66 A)
&rst
ixpk= 55, nxpk= 10, iat= 462, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LEU HB+ 27 LEU HN 3.50 (# 56:10 Unique 2.22, 2.94 A)
&rst
ixpk= 56, nxpk= 10, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 459, 460,
&end
#
# 0 AMB 10-2:57 27 LEU HN 5.50 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 402, 476,
&end
#
# 0 AMB 10-2:58 27 LEU HN 4.50 (# 58:10 Single Ambig)
&rst
ixpk= 58, nxpk= 10, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 457, 424,
&end
#
# 26 SER HA 27 LEU HN 3.50 (# 59:10 Unique 3.56, 3.58 A)
&rst
ixpk= 59, nxpk= 10, iat= 446, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 SER HN 27 LEU HN 3.50 (# 60:10 Unique 2.53, 2.77 A)
&rst
ixpk= 60, nxpk= 10, iat= 444, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 LYS HA 20 LYS HN 3.50 (# 62:10 Unique 2.00, 2.36 A)
&rst
ixpk= 62, nxpk= 10, iat= 309, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:63 20 LYS HN 4.50 (# 63:10 Single Ambig)
&rst
ixpk= 63, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 311, 312, 333, 334,
&end
#
# 19 LYS HG- 20 LYS HN 4.50 (# 64:10 Unique 2.20, 3.00 A)
&rst
ixpk= 64, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 314, 315,
&end
#
# 20 LYS HB+ 20 LYS HN 5.50 (# 65:10 Unique 2.25, 2.55 A)
&rst
ixpk= 65, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 333, 334,
&end
#
# 37 ILE QD1 37 ILE HN 5.50 (# 66:10 Unique 2.88, 4.17 A)
&rst
ixpk= 66, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 629, 630, 631,
&end
#
# 37 ILE HB 37 ILE HN 3.50 (# 67:10 Unique 2.17, 2.35 A)
&rst
ixpk= 67, nxpk= 10, iat= 620, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 GLN HB+ 37 ILE HN 5.50 (# 68:10 Unique 4.15, 4.34 A)
&rst
ixpk= 68, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 603, 604,
&end
#
# 36 GLN HG- 37 ILE HN 4.50 (# 69:10 Unique 3.46, 4.28 A)
&rst
ixpk= 69, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 606, 607,
&end
#
# 37 ILE HA 37 ILE HN 4.50 (# 71:10 Unique 2.56, 2.83 A)
&rst
ixpk= 71, nxpk= 10, iat= 618, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 GLN HN 37 ILE HN 4.50 (# 72:10 Unique 3.58, 4.14 A)
&rst
ixpk= 72, nxpk= 10, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 GLN HA 37 ILE HN 2.80 (# 73:10 Unique 2.01, 2.08 A)
&rst
ixpk= 73, nxpk= 10, iat= 601, 616, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 GLN HB- 37 ILE HN 5.50 (# 74:10 Unique 4.15, 4.34 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 603, 604,
&end
#
# 0 AMB 10-2:76 0 AMB 10-1:76 5.50 (# 76:10 Double Ambig)
&rst
ixpk= 76, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 872, 131, 902,
igr2= 171, 937,
&end
#
# 56 PHE QD 56 PHE HN 3.50 (# 77:10 Unique 2.30, 3.90 A)
&rst
ixpk= 77, nxpk= 10, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 945, 953,
&end
#
# 10 TYR HA 11 ILE HN 2.80 (# 78:10 Unique 2.00, 2.18 A)
&rst
ixpk= 78, nxpk= 10, iat= 152, 171, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 PHE HA 56 PHE HN 4.50 (# 79:10 Unique 2.80, 2.99 A)
&rst
ixpk= 79, nxpk= 10, iat= 939, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE HA 56 PHE HN 2.80 (# 80:10 Unique 2.16, 2.28 A)
&rst
ixpk= 80, nxpk= 10, iat= 920, 937, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 PHE HB- 56 PHE HN 3.50 (# 81:10 Unique 2.22, 3.12 A)
&rst
ixpk= 81, nxpk= 10, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 941, 942,
&end
#
# 56 PHE HB+ 56 PHE HN 3.50 (# 82:10 Unique 2.22, 3.12 A)
&rst
ixpk= 82, nxpk= 10, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 941, 942,
&end
#
# 11 ILE HB 11 ILE HN 3.50 (# 83:10 Unique 2.23, 2.37 A)
&rst
ixpk= 83, nxpk= 10, iat= 175, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:84 11 ILE HN 3.50 (# 84:10 Single Ambig)
&rst
ixpk= 84, nxpk= 10, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 181, 182, 141, 142,
&end
#
# 0 AMB 10-2:85 0 AMB 10-1:85 3.50 (# 85:10 Double Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 181, 182, 924, 925, 926,
igr2= 171, 937,
&end
#
# 60 GLY HA+ 60 GLY HN 4.50 (# 86:10 Unique 1.85, 2.58 A)
&rst
ixpk= 86, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1015,1016,
&end
#
# 60 GLY HA- 60 GLY HN 3.50 (# 87:10 Unique 1.85, 2.58 A)
&rst
ixpk= 87, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1015,1016,
&end
#
# 0 AMB 10-2:89 60 GLY HN 4.50 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 998,1035,1036,1037,
&end
#
# 61 SER HN 60 GLY HN 4.50 (# 90:10 Unique 2.23, 2.58 A)
&rst
ixpk= 90, nxpk= 10, iat=1020,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 GLU HB+ 60 GLY HN 5.50 (# 91:10 Unique 2.35, 3.58 A)
&rst
ixpk= 91, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 983, 984,
&end
#
# 27 LEU HN 26 SER HN 3.50 (# 92:10 Unique 2.53, 2.77 A)
&rst
ixpk= 92, nxpk= 10, iat= 455, 444, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:93 26 SER HN 3.50 (# 93:10 Single Ambig)
&rst
ixpk= 93, nxpk= 10, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 426, 427, 426, 427,
&end
#
# 26 SER HA 26 SER HN 3.50 (# 94:10 Unique 2.81, 2.84 A)
&rst
ixpk= 94, nxpk= 10, iat= 446, 444, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 LEU QD1 26 SER HN 5.50 (# 95:10 Unique 5.32, 6.40 A)
&rst
ixpk= 95, nxpk= 10, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 390, 391, 392,
&end
#
# 25 LYS HN 26 SER HN 4.50 (# 96:10 Unique 2.78, 2.85 A)
&rst
ixpk= 96, nxpk= 10, iat= 422, 444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:97 26 SER HN 5.50 (# 97:10 Single Ambig)
&rst
ixpk= 97, nxpk= 10, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 424, 368, 457,
&end
#
# 11 ILE HA 12 ASN HN 3.50 (# 98:10 Unique 2.16, 2.23 A)
&rst
ixpk= 98, nxpk= 10, iat= 173, 190, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 ILE QG2 12 ASN HN 5.50 (# 99:10 Unique 2.25, 3.54 A)
&rst
ixpk= 99, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 177, 178, 179,
&end
#
# 11 ILE HN 53 PHE HN 5.50 (# 100:10 Unique 4.77, 5.02 A)
&rst
ixpk= 100, nxpk= 10, iat= 171, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 PHE QD 53 PHE HN 3.50 (# 101:10 Unique 3.24, 4.10 A)
&rst
ixpk= 101, nxpk= 10, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 890, 898,
&end
#
# 52 ALA HA 53 PHE HN 2.80 (# 102:10 Unique 2.01, 2.31 A)
&rst
ixpk= 102, nxpk= 10, iat= 874, 882, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:104 53 PHE HN 3.50 (# 104:10 Single Ambig)
&rst
ixpk= 104, nxpk= 10, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 886, 887, 886, 887,
&end
#
# 41 VAL HB 53 PHE HN 3.50 (# 105:10 Unique 2.85, 3.15 A)
&rst
ixpk= 105, nxpk= 10, iat= 689, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 ALA QB 53 PHE HN 2.80 (# 106:10 Unique 2.56, 3.52 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 876, 877, 878,
&end
#
# 53 PHE HA 53 PHE HN 5.50 (# 107:10 Unique 2.91, 2.98 A)
&rst
ixpk= 107, nxpk= 10, iat= 884, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 GLU HA 59 ILE HN 2.80 (# 109:10 Unique 2.22, 2.36 A)
&rst
ixpk= 109, nxpk= 10, iat= 981, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 ILE HA 59 ILE HN 3.50 (# 110:10 Unique 2.81, 2.84 A)
&rst
ixpk= 110, nxpk= 10, iat= 996, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:111 59 ILE HN 3.50 (# 111:10 Single Ambig)
&rst
ixpk= 111, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 986, 987, 983, 984,
&end
#
# 0 AMB 10-2:112 59 ILE HN 5.50 (# 112:10 Single Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 983, 984, 104, 105,
&end
#
# 59 ILE HG1+ 59 ILE HN 2.80 (# 113:10 Unique 1.67, 2.82 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1004,1005,
&end
#
# 59 ILE HG1- 59 ILE HN 3.50 (# 114:10 Unique 1.67, 2.82 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1004,1005,
&end
#
# 0 AMB 10-2:115 26 SER HN 5.50 (# 115:10 Single Ambig)
&rst
ixpk= 115, nxpk= 10, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 448, 449, 448, 449,
&end
#
# 19 LYS HA 19 LYS HN 3.50 (# 117:10 Unique 2.86, 2.89 A)
&rst
ixpk= 117, nxpk= 10, iat= 309, 307, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ILE HA 19 LYS HN 2.80 (# 118:10 Unique 1.94, 2.17 A)
&rst
ixpk= 118, nxpk= 10, iat= 290, 307, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 LYS HB+ 19 LYS HN 3.50 (# 119:10 Unique 2.36, 2.59 A)
&rst
ixpk= 119, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 311, 312,
&end
#
# 19 LYS HB- 19 LYS HN 3.50 (# 120:10 Unique 2.36, 2.59 A)
&rst
ixpk= 120, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 311, 312,
&end
#
# 19 LYS HG+ 19 LYS HN 4.50 (# 121:10 Unique 2.35, 4.22 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 314, 315,
&end
#
# 18 ILE HB 19 LYS HN 7.00 (# 122:10 Unique 4.02, 4.31 A)
&rst
ixpk= 122, nxpk= 10, iat= 292, 307, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 ILE QG2 19 LYS HN 4.50 (# 123:10 Unique 3.00, 3.72 A)
&rst
ixpk= 123, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 294, 295, 296,
&end
#
# 18 ILE QD1 19 LYS HN 5.50 (# 124:10 Unique 3.66, 4.86 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 301, 302, 303,
&end
#
# 40 ILE HA 41 VAL HN 3.50 (# 125:10 Unique 2.01, 2.28 A)
&rst
ixpk= 125, nxpk= 10, iat= 668, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:126 41 VAL HN 5.50 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 687, 904,
&end
#
# 0 AMB 10-2:127 41 VAL HN 3.50 (# 127:10 Single Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 689, 670, 676, 677, 676, 677,
&end
#
# 0 AMB 10-2:128 41 VAL HN 2.80 (# 128:10 Single Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 691, 692, 693, 695, 696, 697, 672, 673, 674,
&end
#
# 9 ILE QD1 9 ILE HN 4.50 (# 129:10 Unique 4.34, 4.88 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 144, 145, 146,
&end
#
# 9 ILE QG2 9 ILE HN 3.50 (# 130:10 Unique 2.50, 3.62 A)
&rst
ixpk= 130, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 137, 138, 139,
&end
#
# 8 THR QG2 9 ILE HN 3.50 (# 131:10 Unique 2.43, 3.34 A)
&rst
ixpk= 131, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 123, 124, 125,
&end
#
# 9 ILE HG1- 9 ILE HN 3.50 (# 132:10 Unique 2.32, 3.06 A)
&rst
ixpk= 132, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 141, 142,
&end
#
# 9 ILE HG1+ 9 ILE HN 3.50 (# 133:10 Unique 2.32, 3.06 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 141, 142,
&end
#
# 8 THR HA 9 ILE HN 2.80 (# 134:10 Unique 2.12, 2.26 A)
&rst
ixpk= 134, nxpk= 10, iat= 119, 131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 PHE QD 9 ILE HN 5.50 (# 135:10 Unique 3.37, 5.92 A)
&rst
ixpk= 135, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 945, 953,
&end
#
# 55 ILE HA 9 ILE HN 4.50 (# 136:10 Unique 3.55, 3.77 A)
&rst
ixpk= 136, nxpk= 10, iat= 920, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:138 9 ILE HN 5.50 (# 138:10 Single Ambig)
&rst
ixpk= 138, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 937, 171,
&end
#
# 54 VAL HB 54 VAL HN 4.50 (# 139:10 Unique 3.32, 3.56 A)
&rst
ixpk= 139, nxpk= 10, iat= 906, 902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:140 54 VAL HN 3.50 (# 140:10 Single Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 886, 887, 886, 887,
&end
#
# 53 PHE HA 54 VAL HN 2.80 (# 141:10 Unique 2.09, 2.24 A)
&rst
ixpk= 141, nxpk= 10, iat= 884, 902, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 PHE QD 54 VAL HN 5.50 (# 142:10 Unique 3.54, 5.08 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 890, 898,
&end
#
# 54 VAL QG- 54 VAL HN 3.50 (# 143:10 Unique 2.45, 4.03 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 908, 909, 910, 912, 913, 914,
&end
#
# 54 VAL HA 54 VAL HN 5.50 (# 144:10 Unique 2.90, 2.94 A)
&rst
ixpk= 144, nxpk= 10, iat= 904, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ILE HN 52 ALA HN 3.50 (# 145:10 Unique 2.78, 3.08 A)
&rst
ixpk= 145, nxpk= 10, iat= 171, 872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 GLN HA 52 ALA HN 2.80 (# 147:10 Unique 2.31, 2.48 A)
&rst
ixpk= 147, nxpk= 10, iat= 857, 872, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 ALA HA 52 ALA HN 4.50 (# 148:10 Unique 2.72, 2.91 A)
&rst
ixpk= 148, nxpk= 10, iat= 874, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ASN HA 52 ALA HN 4.50 (# 149:10 Unique 3.78, 4.01 A)
&rst
ixpk= 149, nxpk= 10, iat= 192, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:150 52 ALA HN 4.50 (# 150:10 Single Ambig)
&rst
ixpk= 150, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 862, 863, 859, 860, 859, 860,
&end
#
# 48 MET QE 52 ALA HN 3.50 (# 151:10 Unique 3.36, 4.31 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 818, 819, 820,
&end
#
# 11 ILE HB 52 ALA HN 4.50 (# 153:10 Unique 2.56, 2.77 A)
&rst
ixpk= 153, nxpk= 10, iat= 175, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ALA QB 52 ALA HN 3.50 (# 154:10 Unique 2.41, 3.48 A)
&rst
ixpk= 154, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 876, 877, 878,
&end
#
# 0 AMB 10-2:155 52 ALA HN 3.50 (# 155:10 Single Ambig)
&rst
ixpk= 155, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 53 PHE HN 42 ALA HN 5.50 (# 156:10 Unique 4.99, 5.05 A)
&rst
ixpk= 156, nxpk= 10, iat= 882, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HA 42 ALA HN 2.80 (# 158:10 Unique 2.00, 2.13 A)
&rst
ixpk= 158, nxpk= 10, iat= 687, 701, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 ALA QB 42 ALA HN 3.50 (# 159:10 Unique 2.65, 3.39 A)
&rst
ixpk= 159, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 705, 706, 707,
&end
#
# 0 AMB 10-2:160 42 ALA HN 3.50 (# 160:10 Single Ambig)
&rst
ixpk= 160, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 691, 692, 693, 695, 696, 697, 390, 391, 392,
&end
#
# 0 AMB 10-2:161 42 ALA HN 4.50 (# 161:10 Single Ambig)
&rst
ixpk= 161, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 691, 692, 693, 695, 696, 697, 672, 673, 674,
&end
#
# 0 AMB 10-2:162 42 ALA HN 5.50 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 339, 340, 715, 716,
&end
#
# 0 AMB 10-2:163 79 MET HN 3.50 (# 163:10 Single Ambig)
&rst
ixpk= 163, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1293,1169,1170,
&end
#
# 79 MET HB+ 79 MET HN 5.50 (# 164:10 Unique 1.97, 2.96 A)
&rst
ixpk= 164, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1301,1302,
&end
#
# 79 MET HB- 79 MET HN 5.50 (# 165:10 Unique 1.97, 2.96 A)
&rst
ixpk= 165, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1301,1302,
&end
#
# 71 GLY HA- 71 GLY HN 3.50 (# 167:10 Unique 2.26, 2.59 A)
&rst
ixpk= 167, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1169,1170,
&end
#
# 70 GLN HA 71 GLY HN 3.50 (# 168:10 Unique 1.97, 2.19 A)
&rst
ixpk= 168, nxpk= 10, iat=1152,1167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLY HA+ 71 GLY HN 3.50 (# 169:10 Unique 2.26, 2.59 A)
&rst
ixpk= 169, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1169,1170,
&end
#
# 0 AMB 10-2:170 71 GLY HN 4.50 (# 170:10 Single Ambig)
&rst
ixpk= 170, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1154,1155,1290,1291,
&end
#
# 14 LEU HN 13 ASN HN 3.50 (# 171:10 Unique 2.25, 2.69 A)
&rst
ixpk= 171, nxpk= 10, iat= 218, 204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 ASN HA 13 ASN HN 3.50 (# 172:10 Unique 2.45, 2.96 A)
&rst
ixpk= 172, nxpk= 10, iat= 192, 204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 GLN HA 13 ASN HN 5.50 (# 174:10 Unique 3.84, 4.17 A)
&rst
ixpk= 174, nxpk= 10, iat= 857, 204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN HA 13 ASN HN 2.80 (# 175:10 Unique 2.21, 2.68 A)
&rst
ixpk= 175, nxpk= 10, iat= 206, 204, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 ASN HB+ 13 ASN HN 4.50 (# 176:10 Unique 2.19, 3.98 A)
&rst
ixpk= 176, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 194, 195,
&end
#
# 0 AMB 10-2:177 13 ASN HN 4.50 (# 177:10 Single Ambig)
&rst
ixpk= 177, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 862, 863, 859, 860, 859, 860,1321,1322,
&end
#
# 57 LYS HN 58 GLU HN 3.50 (# 178:10 Unique 2.64, 2.90 A)
&rst
ixpk= 178, nxpk= 10, iat= 957, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 GLU HA 58 GLU HN 3.50 (# 180:10 Unique 2.76, 2.93 A)
&rst
ixpk= 180, nxpk= 10, iat= 981, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 LYS HA 58 GLU HN 4.50 (# 181:10 Unique 3.38, 3.54 A)
&rst
ixpk= 181, nxpk= 10, iat= 959, 979, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE HB- 58 GLU HN 3.50 (# 182:10 Unique 2.79, 3.11 A)
&rst
ixpk= 182, nxpk= 10, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 941, 942,
&end
#
# 56 PHE HB+ 58 GLU HN 4.50 (# 183:10 Unique 2.79, 3.11 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 941, 942,
&end
#
# 0 AMB 10-2:184 58 GLU HN 2.80 (# 184:10 Single Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 983, 984, 986, 987,
&end
#
# 0 AMB 10-2:185 58 GLU HN 2.80 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 983, 984, 104, 105,
&end
#
# 57 LYS HB- 58 GLU HN 4.50 (# 186:10 Unique 3.09, 4.09 A)
&rst
ixpk= 186, nxpk= 10, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 961, 962,
&end
#
# 0 AMB 10-2:188 28 TYR HN 5.50 (# 188:10 Single Ambig)
&rst
ixpk= 188, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 457, 424,
&end
#
# 28 TYR HB- 28 TYR HN 4.50 (# 189:10 Unique 1.94, 2.73 A)
&rst
ixpk= 189, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 478, 479,
&end
#
# 27 LEU HB+ 28 TYR HN 5.50 (# 190:10 Unique 2.51, 2.97 A)
&rst
ixpk= 190, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 459, 460,
&end
#
# 0 AMB 10-2:191 40 ILE HN 2.80 (# 191:10 Single Ambig)
&rst
ixpk= 191, nxpk= 10, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 656, 668,
&end
#
# 39 ASP HB+ 40 ILE HN 5.50 (# 192:10 Unique 3.08, 3.71 A)
&rst
ixpk= 192, nxpk= 10, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 658, 659,
&end
#
# 39 ASP HB- 40 ILE HN 4.50 (# 193:10 Unique 3.08, 3.71 A)
&rst
ixpk= 193, nxpk= 10, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 658, 659,
&end
#
# 0 AMB 10-2:194 40 ILE HN 3.50 (# 194:10 Single Ambig)
&rst
ixpk= 194, nxpk= 10, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 670, 676, 677, 676, 677,
&end
#
# 0 AMB 10-2:195 40 ILE HN 3.50 (# 195:10 Single Ambig)
&rst
ixpk= 195, nxpk= 10, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 691, 692, 693, 695, 696, 697, 672, 673, 674, 679,
680, 681,
&end
#
# 3 MET HA 3 MET HN 3.50 (# 197:10 Unique 2.07, 2.81 A)
&rst
ixpk= 197, nxpk= 10, iat= 38, 36, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 ALA HA 3 MET HN 7.00 (# 198:10 Unique 5.58, 6.69 A)
&rst
ixpk= 198, nxpk= 10, iat=1352, 36, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 GLU HA 3 MET HN 3.50 (# 199:10 Unique 2.18, 2.54 A)
&rst
ixpk= 199, nxpk= 10, iat= 23, 36, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:200 3 MET HN 3.50 (# 200:10 Single Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 40, 41, 40, 41,
&end
#
# 7 GLN HG- 7 GLN HN 5.50 (# 201:10 Unique 2.67, 4.41 A)
&rst
ixpk= 201, nxpk= 10, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 107, 108,
&end
#
# 0 AMB 10-2:202 7 GLN HN 3.50 (# 202:10 Single Ambig)
&rst
ixpk= 202, nxpk= 10, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 90, 91, 90, 91,
&end
#
# 7 GLN HG+ 7 GLN HN 5.50 (# 203:10 Unique 2.67, 4.41 A)
&rst
ixpk= 203, nxpk= 10, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 107, 108,
&end
#
# 7 GLN HA 7 GLN HN 4.50 (# 204:10 Unique 2.20, 2.80 A)
&rst
ixpk= 204, nxpk= 10, iat= 102, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLU HN 23 LEU HN 3.50 (# 206:10 Unique 2.54, 2.62 A)
&rst
ixpk= 206, nxpk= 10, iat= 366, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 GLU HA 23 LEU HN 5.50 (# 207:10 Unique 3.56, 3.58 A)
&rst
ixpk= 207, nxpk= 10, iat= 368, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU HA 23 LEU HN 3.50 (# 208:10 Unique 2.83, 2.85 A)
&rst
ixpk= 208, nxpk= 10, iat= 383, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:209 23 LEU HN 3.50 (# 209:10 Single Ambig)
&rst
ixpk= 209, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 331, 290,
&end
#
# 0 AMB 10-2:210 23 LEU HN 3.50 (# 210:10 Single Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 370, 371, 311, 312,
&end
#
# 23 LEU HB+ 23 LEU HN 3.50 (# 211:10 Unique 1.86, 2.40 A)
&rst
ixpk= 211, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 385, 386,
&end
#
# 23 LEU HB- 23 LEU HN 2.80 (# 212:10 Unique 1.86, 2.40 A)
&rst
ixpk= 212, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 385, 386,
&end
#
# 18 ILE QG2 23 LEU HN 3.50 (# 213:10 Unique 2.58, 3.42 A)
&rst
ixpk= 213, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 294, 295, 296,
&end
#
# 0 AMB 10-2:214 84 SER HN 5.50 (# 214:10 Single Ambig)
&rst
ixpk= 214, nxpk= 10, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1368,1377, 892, 896,
&end
#
# 9 ILE HA 84 SER HN 4.50 (# 215:10 Unique 2.18, 2.56 A)
&rst
ixpk= 215, nxpk= 10, iat= 133,1381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 SER HA 84 SER HN 3.50 (# 217:10 Unique 2.80, 2.87 A)
&rst
ixpk= 217, nxpk= 10, iat=1383,1381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 SER HB+ 84 SER HN 3.50 (# 218:10 Unique 2.04, 3.06 A)
&rst
ixpk= 218, nxpk= 10, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1385,1386,
&end
#
# 83 TYR HB+ 84 SER HN 5.50 (# 219:10 Unique 2.62, 3.50 A)
&rst
ixpk= 219, nxpk= 10, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1364,1365,
&end
#
# 0 AMB 10-2:220 84 SER HN 4.50 (# 220:10 Single Ambig)
&rst
ixpk= 220, nxpk= 10, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1364,1365, 154, 155, 154, 155,
&end
#
# 9 ILE QG2 84 SER HN 5.50 (# 221:10 Unique 3.61, 5.17 A)
&rst
ixpk= 221, nxpk= 10, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 137, 138, 139,
&end
#
# 101 ARG HA 103 LYS HN 5.50 (# 228:10 Unique 3.36, 4.35 A)
&rst
ixpk= 228, nxpk= 10, iat=1648,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 PRO HA 103 LYS HN 3.50 (# 229:10 Unique 2.17, 3.27 A)
&rst
ixpk= 229, nxpk= 10, iat=1680,1684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ARG HB- 103 LYS HN 4.50 (# 230:10 Unique 2.29, 4.03 A)
&rst
ixpk= 230, nxpk= 10, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1650,1651,
&end
#
# 0 AMB 10-2:231 31 PHE HN 5.50 (# 231:10 Single Ambig)
&rst
ixpk= 231, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 580, 588, 572, 592,
&end
#
# 31 PHE HB- 31 PHE HN 3.50 (# 232:10 Unique 2.02, 2.95 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 528, 529,
&end
#
# 31 PHE HB+ 31 PHE HN 3.50 (# 233:10 Unique 2.02, 2.95 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 528, 529,
&end
#
# 30 ILE HB 31 PHE HN 3.50 (# 234:10 Unique 2.35, 3.42 A)
&rst
ixpk= 234, nxpk= 10, iat= 509, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ILE QD1 31 PHE HN 4.50 (# 235:10 Unique 3.94, 5.01 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 629, 630, 631,
&end
#
# 31 PHE QD 31 PHE HN 5.50 (# 236:10 Unique 2.02, 3.92 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 532, 540,
&end
#
# 31 PHE HA 31 PHE HN 5.50 (# 237:10 Unique 2.80, 2.88 A)
&rst
ixpk= 237, nxpk= 10, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HG1- 31 PHE HN 5.50 (# 238:10 Unique 2.14, 3.51 A)
&rst
ixpk= 238, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 515, 516,
&end
#
# 30 ILE HG1+ 31 PHE HN 5.50 (# 239:10 Unique 2.14, 3.51 A)
&rst
ixpk= 239, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 515, 516,
&end
#
# 0 AMB 10-2:240 72 PHE HN 3.50 (# 240:10 Single Ambig)
&rst
ixpk= 240, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1167,1297,
&end
#
# 72 PHE QD 72 PHE HN 4.50 (# 241:10 Unique 3.43, 4.70 A)
&rst
ixpk= 241, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1182,1190,
&end
#
# 72 PHE HA 72 PHE HN 3.50 (# 242:10 Unique 2.85, 2.87 A)
&rst
ixpk= 242, nxpk= 10, iat=1176,1174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:243 72 PHE HN 3.50 (# 243:10 Single Ambig)
&rst
ixpk= 243, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1169,1170,1293,
&end
#
# 0 AMB 10-2:244 72 PHE HN 3.50 (# 244:10 Single Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1152,1204,
&end
#
# 0 AMB 10-2:245 72 PHE HN 3.50 (# 245:10 Single Ambig)
&rst
ixpk= 245, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1169,1170,1195,1196,
&end
#
# 72 PHE HB- 72 PHE HN 2.80 (# 246:10 Unique 2.14, 2.50 A)
&rst
ixpk= 246, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1178,1179,
&end
#
# 72 PHE HB+ 72 PHE HN 2.80 (# 247:10 Unique 2.14, 2.50 A)
&rst
ixpk= 247, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1178,1179,
&end
#
# 79 MET HB+ 72 PHE HN 4.50 (# 248:10 Unique 2.15, 3.44 A)
&rst
ixpk= 248, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1301,1302,
&end
#
# 0 AMB 10-2:249 72 PHE HN 5.50 (# 249:10 Single Ambig)
&rst
ixpk= 249, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1290,1291,1154,1155,1308,1309,1310,
&end
#
# 0 AMB 10-2:250 17 LYS HN 3.50 (# 250:10 Single Ambig)
&rst
ixpk= 250, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 251, 237,
&end
#
# 83 TYR QD 83 TYR HN 3.50 (# 251:10 Unique 1.92, 3.28 A)
&rst
ixpk= 251, nxpk= 10, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1368,1377,
&end
#
# 18 ILE HN 17 LYS HN 2.80 (# 252:10 Unique 1.79, 2.30 A)
&rst
ixpk= 252, nxpk= 10, iat= 288, 266, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 LYS HA 17 LYS HN 2.80 (# 253:10 Unique 2.79, 2.90 A)
&rst
ixpk= 253, nxpk= 10, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 LYS HB- 17 LYS HN 3.50 (# 255:10 Unique 2.05, 3.35 A)
&rst
ixpk= 255, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 270, 271,
&end
#
# 0 AMB 10-2:256 0 AMB 10-1:256 2.80 (# 256:10 Double Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1354,1355,1356, 273, 274,
igr2=1360, 266,
&end
#
# 17 LYS HG- 17 LYS HN 3.50 (# 257:10 Unique 2.29, 3.30 A)
&rst
ixpk= 257, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 273, 274,
&end
#
# 0 AMB 10-2:258 17 LYS HN 4.50 (# 258:10 Single Ambig)
&rst
ixpk= 258, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 255, 256, 258, 259,
&end
#
# 0 AMB 10-2:268 0 AMB 10-1:268 3.50 (# 268:10 Double Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 154, 155, 154, 155, 241, 242, 43, 44,
igr2=1360, 266,
&end
#
# 83 TYR HB+ 83 TYR HN 3.50 (# 269:10 Unique 2.64, 3.28 A)
&rst
ixpk= 269, nxpk= 10, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1364,1365,
&end
#
# 66 LEU MDX 83 TYR HN 4.50 (# 270:10 Unique 2.81, 5.03 A)
&rst
ixpk= 270, nxpk= 10, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1085,1086,1087,1089,1090,1091,
&end
#
# 83 TYR HA 83 TYR HN 4.50 (# 271:10 Unique 2.87, 2.95 A)
&rst
ixpk= 271, nxpk= 10, iat=1362,1360, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 ALA HA 83 TYR HN 2.80 (# 272:10 Unique 2.54, 2.65 A)
&rst
ixpk= 272, nxpk= 10, iat=1352,1360, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 TYR QD 83 TYR HN 3.50 (# 273:10 Unique 1.92, 3.28 A)
&rst
ixpk= 273, nxpk= 10, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1368,1377,
&end
#
# 17 LYS HA 17 LYS HN 3.50 (# 274:10 Unique 2.79, 2.90 A)
&rst
ixpk= 274, nxpk= 10, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:275 0 AMB 10-1:275 3.50 (# 275:10 Double Ambig)
&rst
ixpk= 275, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 592, 422,
igr2= 599, 400, 544,
&end
#
# 35 GLY HA+ 36 GLN HN 3.50 (# 277:10 Unique 2.18, 3.02 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 594, 595,
&end
#
# 36 GLN HA 0 AMB 10-1:278 3.50 (# 278:10 Single Ambig)
&rst
ixpk= 278, nxpk= 10, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 599, 544,
&end
#
# 0 AMB 10-2:279 0 AMB 10-1:279 2.80 (# 279:10 Double Ambig)
&rst
ixpk= 279, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 594, 595, 383,
igr2= 599, 400,
&end
#
# 0 AMB 10-2:280 0 AMB 10-1:280 3.50 (# 280:10 Double Ambig)
&rst
ixpk= 280, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 402, 476, 331,
igr2= 400, 544,
&end
#
# 36 GLN HB- 36 GLN HN 3.50 (# 281:10 Unique 2.24, 2.81 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 603, 604,
&end
#
# 0 AMB 10-2:282 0 AMB 10-1:282 2.80 (# 282:10 Double Ambig)
&rst
ixpk= 282, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 603, 604, 404, 405,
igr2= 599, 400,
&end
#
# 0 AMB 10-2:283 0 AMB 10-1:283 4.50 (# 283:10 Double Ambig)
&rst
ixpk= 283, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 572, 580, 588,
igr2= 599, 544,
&end
#
# 32 SER HA 0 AMB 10-1:284 3.50 (# 284:10 Single Ambig)
&rst
ixpk= 284, nxpk= 10, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 544, 599,
&end
#
# 0 AMB 10-2:285 0 AMB 10-1:285 3.50 (# 285:10 Double Ambig)
&rst
ixpk= 285, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 548, 549, 548, 549,
igr2= 544, 599,
&end
#
# 32 SER HB- 32 SER HN 3.50 (# 286:10 Unique 2.12, 3.07 A)
&rst
ixpk= 286, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 548, 549,
&end
#
# 31 PHE HB- 32 SER HN 5.50 (# 287:10 Unique 1.87, 3.25 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 528, 529,
&end
#
# 31 PHE HB+ 32 SER HN 5.50 (# 288:10 Unique 1.87, 3.25 A)
&rst
ixpk= 288, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 528, 529,
&end
#
# 0 AMB 10-2:290 74 PHE HN 5.50 (# 290:10 Single Ambig)
&rst
ixpk= 290, nxpk= 10, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1210,1293,
&end
#
# 73 PRO HA 74 PHE HN 2.80 (# 291:10 Unique 2.29, 2.39 A)
&rst
ixpk= 291, nxpk= 10, iat=1204,1208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 PHE HB+ 74 PHE HN 3.50 (# 292:10 Unique 2.29, 2.54 A)
&rst
ixpk= 292, nxpk= 10, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1212,1213,
&end
#
# 74 PHE HB- 74 PHE HN 3.50 (# 293:10 Unique 2.29, 2.54 A)
&rst
ixpk= 293, nxpk= 10, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1212,1213,
&end
#
# 0 AMB 10-2:295 74 PHE HN 5.50 (# 295:10 Single Ambig)
&rst
ixpk= 295, nxpk= 10, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1201,1202,1144,1145,1146,
&end
#
# 64 ASN HN 63 SER HN 3.50 (# 296:10 Unique 2.68, 2.82 A)
&rst
ixpk= 296, nxpk= 10, iat=1052,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ALA HN 63 SER HN 3.50 (# 297:10 Unique 2.79, 2.87 A)
&rst
ixpk= 297, nxpk= 10, iat=1031,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 SER HA 63 SER HN 3.50 (# 298:10 Unique 2.80, 2.82 A)
&rst
ixpk= 298, nxpk= 10, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:299 63 SER HN 2.80 (# 299:10 Single Ambig)
&rst
ixpk= 299, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1045,1046,1045,1046,
&end
#
# 60 GLY HA- 63 SER HN 5.50 (# 300:10 Unique 3.33, 4.06 A)
&rst
ixpk= 300, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1015,1016,
&end
#
# 62 ALA QB 63 SER HN 3.50 (# 301:10 Unique 2.33, 3.28 A)
&rst
ixpk= 301, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1035,1036,1037,
&end
#
# 0 AMB 10-2:302 63 SER HN 5.50 (# 302:10 Single Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1022, 102,
&end
#
# 0 AMB 10-2:304 55 ILE HN 5.50 (# 304:10 Single Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 685, 131, 882,
&end
#
# 54 VAL HA 55 ILE HN 2.80 (# 305:10 Unique 1.84, 2.07 A)
&rst
ixpk= 305, nxpk= 10, iat= 904, 918, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 ILE HB 55 ILE HN 3.50 (# 306:10 Unique 2.20, 2.47 A)
&rst
ixpk= 306, nxpk= 10, iat= 922, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:307 55 ILE HN 3.50 (# 307:10 Single Ambig)
&rst
ixpk= 307, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 928, 929, 906,
&end
#
# 55 ILE QD1 55 ILE HN 3.50 (# 308:10 Unique 2.41, 3.17 A)
&rst
ixpk= 308, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 931, 932, 933,
&end
#
# 54 VAL QG+ 55 ILE HN 3.50 (# 309:10 Unique 1.98, 4.15 A)
&rst
ixpk= 309, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 908, 909, 910, 912, 913, 914,
&end
#
# 94 ILE HA 95 LYS HN 3.50 (# 313:10 Unique 3.47, 3.56 A)
&rst
ixpk= 313, nxpk= 10, iat=1529,1546, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 ILE QD1 95 LYS HN 5.50 (# 318:10 Unique 2.56, 4.98 A)
&rst
ixpk= 318, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1540,1541,1542,
&end
#
# 76 ASP HA 76 ASP HN 2.80 (# 319:10 Unique 2.20, 2.71 A)
&rst
ixpk= 319, nxpk= 10, iat=1251,1249, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 TYR HA 76 ASP HN 3.50 (# 320:10 Unique 2.18, 2.81 A)
&rst
ixpk= 320, nxpk= 10, iat=1230,1249, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 MET HA 4 LEU HN 2.80 (# 322:10 Unique 2.19, 2.33 A)
&rst
ixpk= 322, nxpk= 10, iat= 38, 53, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:323 4 LEU HN 3.50 (# 323:10 Single Ambig)
&rst
ixpk= 323, nxpk= 10, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 40, 41, 40, 41,
&end
#
# 4 LEU HB+ 4 LEU HN 2.80 (# 324:10 Unique 2.19, 3.05 A)
&rst
ixpk= 324, nxpk= 10, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 57, 58,
&end
#
# 0 AMB 10-2:325 4 LEU HN 3.50 (# 325:10 Single Ambig)
&rst
ixpk= 325, nxpk= 10, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 62, 63, 64, 66, 67, 68, 62, 63, 64, 66,
67, 68,
&end
#
# 100 GLU HB+ 100 GLU HN 5.50 (# 333:10 Unique 2.05, 3.01 A)
&rst
ixpk= 333, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1635,1636,
&end
#
# 100 GLU HB- 100 GLU HN 3.50 (# 336:10 Unique 2.05, 3.01 A)
&rst
ixpk= 336, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1635,1636,
&end
#
# 13 ASN HN 14 LEU HN 3.50 (# 337:10 Unique 2.25, 2.69 A)
&rst
ixpk= 337, nxpk= 10, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ASN HA 14 LEU HN 3.50 (# 338:10 Unique 2.44, 2.64 A)
&rst
ixpk= 338, nxpk= 10, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 LEU HA 14 LEU HN 3.50 (# 339:10 Unique 2.85, 2.94 A)
&rst
ixpk= 339, nxpk= 10, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 GLY HA+ 14 LEU HN 5.50 (# 340:10 Unique 2.92, 3.83 A)
&rst
ixpk= 340, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 850, 851,
&end
#
# 50 GLY HA- 14 LEU HN 5.50 (# 341:10 Unique 2.92, 3.83 A)
&rst
ixpk= 341, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 850, 851,
&end
#
# 14 LEU HB+ 14 LEU HN 2.80 (# 342:10 Unique 2.06, 2.64 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 222, 223,
&end
#
# 14 LEU HB- 14 LEU HN 3.50 (# 343:10 Unique 2.06, 2.64 A)
&rst
ixpk= 343, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 222, 223,
&end
#
# 14 LEU HG 14 LEU HN 4.50 (# 344:10 Unique 3.03, 3.93 A)
&rst
ixpk= 344, nxpk= 10, iat= 225, 218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:345 14 LEU HN 4.50 (# 345:10 Single Ambig)
&rst
ixpk= 345, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 58 GLU HN 57 LYS HN 3.50 (# 347:10 Unique 2.64, 2.90 A)
&rst
ixpk= 347, nxpk= 10, iat= 979, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE HA 57 LYS HN 3.50 (# 348:10 Unique 2.12, 2.44 A)
&rst
ixpk= 348, nxpk= 10, iat= 939, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ILE HA 57 LYS HN 4.50 (# 349:10 Unique 3.22, 3.93 A)
&rst
ixpk= 349, nxpk= 10, iat= 618, 957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 LYS HA 57 LYS HN 3.50 (# 350:10 Unique 2.55, 2.81 A)
&rst
ixpk= 350, nxpk= 10, iat= 959, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE HB- 57 LYS HN 3.50 (# 351:10 Unique 2.21, 3.00 A)
&rst
ixpk= 351, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 941, 942,
&end
#
# 56 PHE HB+ 57 LYS HN 4.50 (# 352:10 Unique 2.21, 3.00 A)
&rst
ixpk= 352, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 941, 942,
&end
#
# 57 LYS HB+ 57 LYS HN 3.50 (# 353:10 Unique 2.41, 3.08 A)
&rst
ixpk= 353, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 961, 962,
&end
#
# 57 LYS HB- 57 LYS HN 3.50 (# 354:10 Unique 2.41, 3.08 A)
&rst
ixpk= 354, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 961, 962,
&end
#
# 0 AMB 10-2:355 57 LYS HN 5.50 (# 355:10 Single Ambig)
&rst
ixpk= 355, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 639, 640, 642,
&end
#
# 64 ASN HN 65 ALA HN 2.80 (# 356:10 Unique 2.27, 2.74 A)
&rst
ixpk= 356, nxpk= 10, iat=1052,1066, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:357 65 ALA HN 4.50 (# 357:10 Single Ambig)
&rst
ixpk= 357, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1033, 576, 577,
&end
#
# 0 AMB 10-2:358 65 ALA HN 3.50 (# 358:10 Single Ambig)
&rst
ixpk= 358, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1054, 574,
&end
#
# 0 AMB 10-2:359 65 ALA HN 2.80 (# 359:10 Single Ambig)
&rst
ixpk= 359, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1056,1057,1056,1057,
&end
#
# 69 MET HG- 65 ALA HN 5.50 (# 360:10 Unique 5.16, 6.26 A)
&rst
ixpk= 360, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1140,1141,
&end
#
# 65 ALA QB 65 ALA HN 2.80 (# 361:10 Unique 2.40, 2.90 A)
&rst
ixpk= 361, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1070,1071,1072,
&end
#
# 66 LEU HB- 65 ALA HN 5.50 (# 362:10 Unique 4.64, 4.96 A)
&rst
ixpk= 362, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1080,1081,
&end
#
# 67 ARG HN 66 LEU HN 3.50 (# 363:10 Unique 2.81, 2.96 A)
&rst
ixpk= 363, nxpk= 10, iat=1095,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HA 66 LEU HN 3.50 (# 364:10 Unique 2.59, 2.78 A)
&rst
ixpk= 364, nxpk= 10, iat=1078,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HB+ 66 LEU HN 3.50 (# 365:10 Unique 2.03, 2.46 A)
&rst
ixpk= 365, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1080,1081,
&end
#
# 66 LEU HB- 66 LEU HN 2.80 (# 366:10 Unique 2.03, 2.46 A)
&rst
ixpk= 366, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1080,1081,
&end
#
# 65 ALA QB 66 LEU HN 3.50 (# 367:10 Unique 2.36, 3.26 A)
&rst
ixpk= 367, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1070,1071,1072,
&end
#
# 9 ILE QG2 66 LEU HN 4.50 (# 368:10 Unique 2.84, 4.47 A)
&rst
ixpk= 368, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 137, 138, 139,
&end
#
# 91 VAL HN 92 ALA HN 3.50 (# 370:10 Unique 2.81, 2.93 A)
&rst
ixpk= 370, nxpk= 10, iat=1479,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 VAL HA 92 ALA HN 4.50 (# 373:10 Unique 3.59, 3.63 A)
&rst
ixpk= 373, nxpk= 10, iat=1481,1495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 VAL HB 92 ALA HN 3.50 (# 374:10 Unique 2.46, 2.70 A)
&rst
ixpk= 374, nxpk= 10, iat=1483,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 VAL QG- 92 ALA HN 3.50 (# 376:10 Unique 3.39, 4.59 A)
&rst
ixpk= 376, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1485,1486,1487,1489,1490,1491,
&end
#
# 87 ASP HA 88 SER HN 4.50 (# 379:10 Unique 2.31, 3.37 A)
&rst
ixpk= 379, nxpk= 10, iat=1427,1437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TYR HN 29 ALA HN 3.50 (# 381:10 Unique 2.69, 2.76 A)
&rst
ixpk= 381, nxpk= 10, iat= 474, 495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:382 29 ALA HN 5.50 (# 382:10 Single Ambig)
&rst
ixpk= 382, nxpk= 10, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 532, 540, 422,
&end
#
# 26 SER HA 29 ALA HN 5.50 (# 383:10 Unique 3.05, 3.37 A)
&rst
ixpk= 383, nxpk= 10, iat= 446, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:384 29 ALA HN 4.50 (# 384:10 Single Ambig)
&rst
ixpk= 384, nxpk= 10, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 424, 457,
&end
#
# 28 TYR HA 29 ALA HN 4.50 (# 385:10 Unique 3.38, 3.56 A)
&rst
ixpk= 385, nxpk= 10, iat= 476, 495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TYR HB+ 29 ALA HN 3.50 (# 386:10 Unique 2.66, 3.37 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 478, 479,
&end
#
# 29 ALA QB 29 ALA HN 2.80 (# 387:10 Unique 2.49, 2.92 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 499, 500, 501,
&end
#
# 40 ILE QD1 29 ALA HN 5.50 (# 388:10 Unique 5.70, 6.57 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 679, 680, 681,
&end
#
# 98 PHE HA 99 LYS HN 3.50 (# 389:10 Unique 3.02, 3.43 A)
&rst
ixpk= 389, nxpk= 10, iat=1591,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 ALA HN 93 LYS HN 3.50 (# 398:10 Unique 2.48, 2.82 A)
&rst
ixpk= 398, nxpk= 10, iat=1495,1505, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 PHE HA 98 PHE HN 4.50 (# 407:10 Unique 2.16, 2.67 A)
&rst
ixpk= 407, nxpk= 10, iat=1591,1589, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 THR HA 98 PHE HN 5.50 (# 409:10 Unique 2.24, 3.04 A)
&rst
ixpk= 409, nxpk= 10, iat=1577,1589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 PHE HB+ 98 PHE HN 5.50 (# 411:10 Unique 2.01, 3.12 A)
&rst
ixpk= 411, nxpk= 10, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1593,1594,
&end
#
# 70 GLN HN 69 MET HN 2.80 (# 412:10 Unique 2.47, 2.58 A)
&rst
ixpk= 412, nxpk= 10, iat=1150,1133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 MET HA 69 MET HN 3.50 (# 413:10 Unique 2.79, 2.93 A)
&rst
ixpk= 413, nxpk= 10, iat=1135,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:414 69 MET HN 3.50 (# 414:10 Single Ambig)
&rst
ixpk= 414, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1121,1152,
&end
#
# 68 THR HB 69 MET HN 3.50 (# 415:10 Unique 2.68, 2.81 A)
&rst
ixpk= 415, nxpk= 10, iat=1123,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 MET HG+ 69 MET HN 2.80 (# 416:10 Unique 2.06, 3.13 A)
&rst
ixpk= 416, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1140,1141,
&end
#
# 69 MET HB+ 69 MET HN 2.80 (# 417:10 Unique 2.25, 3.02 A)
&rst
ixpk= 417, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1137,1138,
&end
#
# 81 ILE QD1 69 MET HN 5.50 (# 418:10 Unique 3.72, 4.64 A)
&rst
ixpk= 418, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1344,1345,1346,
&end
#
# 68 THR QG2 69 MET HN 4.50 (# 419:10 Unique 3.92, 4.71 A)
&rst
ixpk= 419, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1125,1126,1127,
&end
#
# 103 LYS HA 104 LYS HN 2.80 (# 421:10 Unique 2.19, 2.77 A)
&rst
ixpk= 421, nxpk= 10, iat=1686,1706, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 LYS HA 104 LYS HN 3.50 (# 422:10 Unique 2.28, 2.86 A)
&rst
ixpk= 422, nxpk= 10, iat=1708,1706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ARG HB- 104 LYS HN 4.50 (# 423:10 Unique 2.20, 4.53 A)
&rst
ixpk= 423, nxpk= 10, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1650,1651,
&end
#
# 94 ILE HA 94 ILE HN 3.50 (# 428:10 Unique 2.80, 2.91 A)
&rst
ixpk= 428, nxpk= 10, iat=1529,1527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 VAL HA 94 ILE HN 5.50 (# 429:10 Unique 3.35, 3.57 A)
&rst
ixpk= 429, nxpk= 10, iat=1481,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ILE HG1+ 94 ILE HN 3.50 (# 432:10 Unique 2.08, 2.81 A)
&rst
ixpk= 432, nxpk= 10, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1537,1538,
&end
#
# 50 GLY HA+ 51 GLN HN 3.50 (# 435:10 Unique 2.59, 3.31 A)
&rst
ixpk= 435, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 850, 851,
&end
#
# 50 GLY HA- 51 GLN HN 3.50 (# 436:10 Unique 2.59, 3.31 A)
&rst
ixpk= 436, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:437 51 GLN HN 3.50 (# 437:10 Single Ambig)
&rst
ixpk= 437, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 859, 860, 859, 860, 862, 863,
&end
#
# 48 MET QE 51 GLN HN 4.50 (# 438:10 Unique 3.84, 5.19 A)
&rst
ixpk= 438, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 818, 819, 820,
&end
#
# 0 AMB 10-2:439 51 GLN HN 4.50 (# 439:10 Single Ambig)
&rst
ixpk= 439, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 789, 790, 828, 829, 828, 829,
&end
#
# 0 AMB 10-2:440 51 GLN HN 5.50 (# 440:10 Single Ambig)
&rst
ixpk= 440, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 218, 711,
&end
#
# 50 GLY HN 51 GLN HN 5.50 (# 441:10 Unique 2.01, 2.34 A)
&rst
ixpk= 441, nxpk= 10, iat= 848, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:442 80 GLN HN 5.50 (# 442:10 Single Ambig)
&rst
ixpk= 442, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 204,1167,1297,
&end
#
# 80 GLN HA 80 GLN HN 3.50 (# 443:10 Unique 2.86, 2.95 A)
&rst
ixpk= 443, nxpk= 10, iat=1316,1314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 MET HA 80 GLN HN 2.80 (# 444:10 Unique 2.22, 2.27 A)
&rst
ixpk= 444, nxpk= 10, iat=1299,1314, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:445 80 GLN HN 5.50 (# 445:10 Single Ambig)
&rst
ixpk= 445, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 194, 195,1304,1305,
&end
#
# 0 AMB 10-2:446 80 GLN HN 3.50 (# 446:10 Single Ambig)
&rst
ixpk= 446, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1321,1322,1321,1322,
&end
#
# 80 GLN HB+ 80 GLN HN 3.50 (# 447:10 Unique 2.61, 3.26 A)
&rst
ixpk= 447, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1318,1319,
&end
#
# 0 AMB 10-2:448 80 GLN HN 2.80 (# 448:10 Single Ambig)
&rst
ixpk= 448, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1301,1302,1318,1319,
&end
#
# 11 ILE QG2 80 GLN HN 3.50 (# 449:10 Unique 3.42, 4.51 A)
&rst
ixpk= 449, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 177, 178, 179,
&end
#
# 91 VAL HN 90 ILE HN 3.50 (# 450:10 Unique 2.51, 2.66 A)
&rst
ixpk= 450, nxpk= 10, iat=1479,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 ASP HA 90 ILE HN 3.50 (# 452:10 Unique 3.45, 3.60 A)
&rst
ixpk= 452, nxpk= 10, iat=1450,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 SER HB+ 90 ILE HN 5.50 (# 453:10 Unique 4.56, 5.67 A)
&rst
ixpk= 453, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1441,1442,
&end
#
# 90 ILE HG1- 90 ILE HN 3.50 (# 457:10 Unique 2.05, 2.78 A)
&rst
ixpk= 457, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1470,1471,
&end
#
# 90 ILE HG1+ 90 ILE HN 3.50 (# 459:10 Unique 2.05, 2.78 A)
&rst
ixpk= 459, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1470,1471,
&end
#
# 67 ARG HN 64 ASN HN 7.00 (# 460:10 Unique 4.69, 4.82 A)
&rst
ixpk= 460, nxpk= 10, iat=1095,1052, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 ASN HD2+ 64 ASN HN 7.00 (# 461:10 Unique 4.69, 5.35 A)
&rst
ixpk= 461, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1061,1062,
&end
#
# 65 ALA HN 64 ASN HN 2.80 (# 462:10 Unique 2.27, 2.74 A)
&rst
ixpk= 462, nxpk= 10, iat=1066,1052, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 SER HN 64 ASN HN 3.50 (# 463:10 Unique 2.68, 2.82 A)
&rst
ixpk= 463, nxpk= 10, iat=1041,1052, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 SER HA 64 ASN HN 3.50 (# 465:10 Unique 3.37, 3.56 A)
&rst
ixpk= 465, nxpk= 10, iat=1043,1052, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ASN HA 64 ASN HN 3.50 (# 466:10 Unique 2.83, 2.86 A)
&rst
ixpk= 466, nxpk= 10, iat=1054,1052, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 SER HA 64 ASN HN 4.50 (# 467:10 Unique 2.70, 3.37 A)
&rst
ixpk= 467, nxpk= 10, iat=1022,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:469 64 ASN HN 2.80 (# 469:10 Single Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1045,1046,1045,1046,
&end
#
# 60 GLY HA- 64 ASN HN 5.50 (# 470:10 Unique 3.86, 4.49 A)
&rst
ixpk= 470, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1015,1016,
&end
#
# 0 AMB 10-2:471 64 ASN HN 2.80 (# 471:10 Single Ambig)
&rst
ixpk= 471, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1056,1057,1056,1057,
&end
#
# 65 ALA QB 64 ASN HN 5.50 (# 472:10 Unique 4.46, 5.44 A)
&rst
ixpk= 472, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1070,1071,1072,
&end
#
# 0 AMB 10-2:473 64 ASN HN 5.50 (# 473:10 Single Ambig)
&rst
ixpk= 473, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1035,1036,1037, 998,
&end
#
# 74 PHE HN 77 LYS HN 4.50 (# 474:10 Unique 2.87, 4.25 A)
&rst
ixpk= 474, nxpk= 10, iat=1208,1261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LYS HA 77 LYS HN 4.50 (# 475:10 Unique 2.85, 2.93 A)
&rst
ixpk= 475, nxpk= 10, iat=1263,1261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:476 77 LYS HN 5.50 (# 476:10 Single Ambig)
&rst
ixpk= 476, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1251,1204,
&end
#
# 48 MET HA 49 ARG HN 3.50 (# 479:10 Unique 2.12, 3.36 A)
&rst
ixpk= 479, nxpk= 10, iat= 809, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 ARG HA 49 ARG HN 3.50 (# 480:10 Unique 2.30, 2.88 A)
&rst
ixpk= 480, nxpk= 10, iat= 826, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:481 49 ARG HN 2.80 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 828, 829, 828, 829,
&end
#
# 49 ARG HG+ 49 ARG HN 4.50 (# 482:10 Unique 2.70, 3.92 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 831, 832,
&end
#
# 0 AMB 10-2:483 49 ARG HN 5.50 (# 483:10 Single Ambig)
&rst
ixpk= 483, nxpk= 10, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 773, 715, 716, 770, 771,
&end
#
# 48 MET HA 48 MET HN 3.50 (# 485:10 Unique 2.80, 2.91 A)
&rst
ixpk= 485, nxpk= 10, iat= 809, 807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:486 48 MET HN 3.50 (# 486:10 Single Ambig)
&rst
ixpk= 486, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 787, 768,
&end
#
# 48 MET HG- 48 MET HN 5.50 (# 487:10 Unique 2.16, 3.10 A)
&rst
ixpk= 487, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 814, 815,
&end
#
# 0 AMB 10-2:488 48 MET HN 3.50 (# 488:10 Single Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 811, 812, 811, 812,
&end
#
# 0 AMB 10-2:489 48 MET HN 4.50 (# 489:10 Single Ambig)
&rst
ixpk= 489, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 715, 716, 718,
&end
#
# 0 AMB 10-2:490 48 MET HN 4.50 (# 490:10 Single Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 859, 860, 859, 860, 862, 863,
&end
#
# 33 GLN HN 34 PHE HN 3.50 (# 491:10 Unique 1.78, 2.63 A)
&rst
ixpk= 491, nxpk= 10, iat= 555, 572, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 PHE HA 34 PHE HN 4.50 (# 492:10 Unique 2.84, 2.97 A)
&rst
ixpk= 492, nxpk= 10, iat= 574, 572, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 PHE HB+ 34 PHE HN 4.50 (# 493:10 Unique 2.26, 3.20 A)
&rst
ixpk= 493, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 576, 577,
&end
#
# 34 PHE HB- 34 PHE HN 3.50 (# 494:10 Unique 2.26, 3.20 A)
&rst
ixpk= 494, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 576, 577,
&end
#
# 0 AMB 10-2:495 0 AMB 10-1:495 5.50 (# 495:10 Double Ambig)
&rst
ixpk= 495, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 559, 560, 559, 560, 795, 796, 795, 796,
igr2= 572, 807,
&end
#
# 0 AMB 10-2:496 67 ARG HN 3.50 (# 496:10 Single Ambig)
&rst
ixpk= 496, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1076,1066,
&end
#
# 68 THR HN 67 ARG HN 3.50 (# 497:10 Unique 2.57, 2.82 A)
&rst
ixpk= 497, nxpk= 10, iat=1119,1095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ASN HA 67 ARG HN 5.50 (# 498:10 Unique 3.41, 3.64 A)
&rst
ixpk= 498, nxpk= 10, iat=1054,1095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:499 67 ARG HN 3.50 (# 499:10 Single Ambig)
&rst
ixpk= 499, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1097,1045,1046,
&end
#
# 67 ARG HB+ 67 ARG HN 2.80 (# 500:10 Unique 2.21, 2.69 A)
&rst
ixpk= 500, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1099,1100,
&end
#
# 67 ARG HB- 67 ARG HN 2.80 (# 501:10 Unique 2.21, 2.69 A)
&rst
ixpk= 501, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1099,1100,
&end
#
# 66 LEU HB+ 67 ARG HN 3.50 (# 502:10 Unique 2.18, 2.90 A)
&rst
ixpk= 502, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1080,1081,
&end
#
# 66 LEU HB- 67 ARG HN 4.50 (# 503:10 Unique 2.18, 2.90 A)
&rst
ixpk= 503, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1080,1081,
&end
#
# 66 LEU MDY 67 ARG HN 5.50 (# 504:10 Unique 3.32, 4.81 A)
&rst
ixpk= 504, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1085,1086,1087,1089,1090,1091,
&end
#
# 36 GLN HN 35 GLY HN 5.50 (# 505:10 Unique 1.76, 2.90 A)
&rst
ixpk= 505, nxpk= 10, iat= 599, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 GLY HA+ 35 GLY HN 3.50 (# 506:10 Unique 2.59, 2.82 A)
&rst
ixpk= 506, nxpk= 10, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 594, 595,
&end
#
# 34 PHE HA 35 GLY HN 3.50 (# 507:10 Unique 2.91, 3.33 A)
&rst
ixpk= 507, nxpk= 10, iat= 574, 592, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 GLY HA- 35 GLY HN 3.50 (# 508:10 Unique 2.59, 2.82 A)
&rst
ixpk= 508, nxpk= 10, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 594, 595,
&end
#
# 0 AMB 10-2:509 25 LYS HN 3.50 (# 509:10 Single Ambig)
&rst
ixpk= 509, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 424, 368,
&end
#
# 0 AMB 10-2:510 25 LYS HN 2.80 (# 510:10 Single Ambig)
&rst
ixpk= 510, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 426, 427, 426, 427,
&end
#
# 24 LYS HB- 25 LYS HN 3.50 (# 511:10 Unique 2.43, 3.08 A)
&rst
ixpk= 511, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 404, 405,
&end
#
# 25 LYS HG- 25 LYS HN 5.50 (# 513:10 Unique 2.45, 4.06 A)
&rst
ixpk= 513, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 429, 430,
&end
#
# 26 SER HN 25 LYS HN 3.50 (# 514:10 Unique 2.78, 2.85 A)
&rst
ixpk= 514, nxpk= 10, iat= 444, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ILE HN 39 ASP HN 4.50 (# 515:10 Unique 2.83, 2.92 A)
&rst
ixpk= 515, nxpk= 10, iat= 918, 654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LEU HN 39 ASP HN 3.50 (# 516:10 Unique 1.90, 2.00 A)
&rst
ixpk= 516, nxpk= 10, iat= 635, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ASP HA 39 ASP HN 3.50 (# 517:10 Unique 2.88, 2.90 A)
&rst
ixpk= 517, nxpk= 10, iat= 656, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ASP HB+ 39 ASP HN 5.50 (# 518:10 Unique 2.94, 3.25 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 658, 659,
&end
#
# 39 ASP HB- 39 ASP HN 5.50 (# 519:10 Unique 2.94, 3.25 A)
&rst
ixpk= 519, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 658, 659,
&end
#
# 55 ILE HB 39 ASP HN 3.50 (# 520:10 Unique 2.31, 2.48 A)
&rst
ixpk= 520, nxpk= 10, iat= 922, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LEU HB+ 39 ASP HN 3.50 (# 521:10 Unique 2.59, 3.41 A)
&rst
ixpk= 521, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 639, 640,
&end
#
# 0 AMB 10-2:522 39 ASP HN 3.50 (# 522:10 Single Ambig)
&rst
ixpk= 522, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 639, 640, 642,
&end
#
# 0 AMB 10-2:523 39 ASP HN 3.50 (# 523:10 Single Ambig)
&rst
ixpk= 523, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 644, 645, 646, 648, 649, 650, 931, 932, 933,
&end
#
# 37 ILE QG2 39 ASP HN 3.50 (# 524:10 Unique 2.51, 3.35 A)
&rst
ixpk= 524, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 622, 623, 624,
&end
#
# 90 ILE HN 91 VAL HN 3.50 (# 525:10 Unique 2.51, 2.66 A)
&rst
ixpk= 525, nxpk= 10, iat=1460,1479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 VAL HB 91 VAL HN 3.50 (# 528:10 Unique 2.34, 2.45 A)
&rst
ixpk= 528, nxpk= 10, iat=1483,1479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:531 33 GLN HN 4.50 (# 531:10 Single Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 572, 592,
&end
#
# 31 PHE HN 33 GLN HN 5.50 (# 532:10 Unique 2.40, 4.21 A)
&rst
ixpk= 532, nxpk= 10, iat= 524, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:534 33 GLN HN 3.50 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 557, 507,
&end
#
# 37 ILE HG1+ 33 GLN HN 5.50 (# 535:10 Unique 5.35, 6.35 A)
&rst
ixpk= 535, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 0 AMB 10-2:536 33 GLN HN 3.50 (# 536:10 Single Ambig)
&rst
ixpk= 536, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 559, 560, 559, 560,
&end
#
# 69 MET HN 70 GLN HN 2.80 (# 538:10 Unique 2.47, 2.58 A)
&rst
ixpk= 538, nxpk= 10, iat=1133,1150, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:539 70 GLN HN 3.50 (# 539:10 Single Ambig)
&rst
ixpk= 539, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1152,1121,
&end
#
# 69 MET HA 70 GLN HN 5.50 (# 540:10 Unique 3.24, 3.47 A)
&rst
ixpk= 540, nxpk= 10, iat=1135,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 GLN HB+ 70 GLN HN 2.80 (# 542:10 Unique 2.06, 2.83 A)
&rst
ixpk= 542, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1154,1155,
&end
#
# 70 GLN HB- 70 GLN HN 2.80 (# 543:10 Unique 2.06, 2.83 A)
&rst
ixpk= 543, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1154,1155,
&end
#
# 70 GLN HG- 70 GLN HN 4.50 (# 544:10 Unique 2.12, 3.33 A)
&rst
ixpk= 544, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 81 ILE QD1 70 GLN HN 3.50 (# 545:10 Unique 2.80, 3.97 A)
&rst
ixpk= 545, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1344,1345,1346,
&end
#
# 0 AMB 10-2:546 70 GLN HN 4.50 (# 546:10 Single Ambig)
&rst
ixpk= 546, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1162,1163,1119,
&end
#
# 23 LEU HN 22 GLU HN 2.80 (# 547:10 Unique 2.54, 2.62 A)
&rst
ixpk= 547, nxpk= 10, iat= 381, 366, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:548 22 GLU HN 3.50 (# 548:10 Single Ambig)
&rst
ixpk= 548, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 368, 309,
&end
#
# 22 GLU HG+ 22 GLU HN 5.50 (# 549:10 Unique 1.89, 2.96 A)
&rst
ixpk= 549, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 373, 374,
&end
#
# 22 GLU HG- 22 GLU HN 3.50 (# 550:10 Unique 1.89, 2.96 A)
&rst
ixpk= 550, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 373, 374,
&end
#
# 0 AMB 10-2:551 22 GLU HN 2.80 (# 551:10 Single Ambig)
&rst
ixpk= 551, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 311, 312, 370, 371, 355, 356,
&end
#
# 19 LYS HB- 22 GLU HN 4.50 (# 552:10 Unique 2.04, 3.24 A)
&rst
ixpk= 552, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 311, 312,
&end
#
# 0 AMB 10-2:553 22 GLU HN 4.50 (# 553:10 Single Ambig)
&rst
ixpk= 553, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 314, 315, 407, 408,
&end
#
# 18 ILE QG2 22 GLU HN 5.50 (# 554:10 Unique 4.15, 4.92 A)
&rst
ixpk= 554, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 294, 295, 296,
&end
#
# 62 ALA HN 61 SER HN 2.80 (# 555:10 Unique 2.51, 2.61 A)
&rst
ixpk= 555, nxpk= 10, iat=1031,1020, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 GLY HN 61 SER HN 3.50 (# 556:10 Unique 2.23, 2.58 A)
&rst
ixpk= 556, nxpk= 10, iat=1013,1020, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 SER HA 61 SER HN 3.50 (# 558:10 Unique 2.83, 2.88 A)
&rst
ixpk= 558, nxpk= 10, iat=1022,1020, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 GLY HA+ 61 SER HN 4.50 (# 559:10 Unique 2.51, 3.22 A)
&rst
ixpk= 559, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1015,1016,
&end
#
# 60 GLY HA- 61 SER HN 2.80 (# 560:10 Unique 2.51, 3.22 A)
&rst
ixpk= 560, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1015,1016,
&end
#
# 61 SER HB+ 61 SER HN 2.80 (# 561:10 Unique 2.52, 3.10 A)
&rst
ixpk= 561, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1024,1025,
&end
#
# 0 AMB 10-2:562 61 SER HN 4.50 (# 562:10 Single Ambig)
&rst
ixpk= 562, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 996, 941, 942,
&end
#
# 61 SER HB- 61 SER HN 3.50 (# 563:10 Unique 2.52, 3.10 A)
&rst
ixpk= 563, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1024,1025,
&end
#
# 0 AMB 10-2:564 61 SER HN 3.50 (# 564:10 Single Ambig)
&rst
ixpk= 564, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 983, 984, 986, 987,
&end
#
# 58 GLU HB- 61 SER HN 3.50 (# 565:10 Unique 2.22, 3.24 A)
&rst
ixpk= 565, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 983, 984,
&end
#
# 0 AMB 10-2:566 61 SER HN 4.50 (# 566:10 Single Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1035,1036,1037, 998, 967, 968, 967, 968,
&end
#
# 83 TYR HB+ 6 ASN HN 5.50 (# 569:10 Unique 3.84, 4.88 A)
&rst
ixpk= 569, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1364,1365,
&end
#
# 61 SER HN 62 ALA HN 3.50 (# 571:10 Unique 2.51, 2.61 A)
&rst
ixpk= 571, nxpk= 10, iat=1020,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 SER HN 62 ALA HN 3.50 (# 572:10 Unique 2.79, 2.87 A)
&rst
ixpk= 572, nxpk= 10, iat=1041,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 SER HB+ 62 ALA HN 3.50 (# 573:10 Unique 2.50, 3.20 A)
&rst
ixpk= 573, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1024,1025,
&end
#
# 62 ALA HA 62 ALA HN 3.50 (# 574:10 Unique 2.82, 2.84 A)
&rst
ixpk= 574, nxpk= 10, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ALA QB 62 ALA HN 2.80 (# 575:10 Unique 2.41, 2.88 A)
&rst
ixpk= 575, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1035,1036,1037,
&end
#
# 61 SER HB- 62 ALA HN 5.50 (# 576:10 Unique 2.50, 3.20 A)
&rst
ixpk= 576, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1024,1025,
&end
#
# 7 GLN HA 62 ALA HN 5.50 (# 577:10 Unique 3.59, 4.47 A)
&rst
ixpk= 577, nxpk= 10, iat= 102,1031, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LYS HN 18 ILE HN 3.50 (# 578:10 Unique 1.79, 2.30 A)
&rst
ixpk= 578, nxpk= 10, iat= 266, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 LYS HA 18 ILE HN 3.50 (# 580:10 Unique 3.25, 3.36 A)
&rst
ixpk= 580, nxpk= 10, iat= 268, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ILE HA 18 ILE HN 3.50 (# 581:10 Unique 2.69, 2.86 A)
&rst
ixpk= 581, nxpk= 10, iat= 290, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 LEU HB+ 18 ILE HN 7.00 (# 582:10 Unique 5.75, 6.73 A)
&rst
ixpk= 582, nxpk= 10, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 385, 386,
&end
#
# 18 ILE HB 18 ILE HN 3.50 (# 583:10 Unique 2.29, 2.44 A)
&rst
ixpk= 583, nxpk= 10, iat= 292, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:584 18 ILE HN 2.80 (# 584:10 Single Ambig)
&rst
ixpk= 584, nxpk= 10, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 298, 299, 298, 299,
&end
#
# 18 ILE QG2 18 ILE HN 5.50 (# 585:10 Unique 4.31, 4.54 A)
&rst
ixpk= 585, nxpk= 10, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 294, 295, 296,
&end
#
# 18 ILE QD1 18 ILE HN 3.50 (# 587:10 Unique 3.32, 4.18 A)
&rst
ixpk= 587, nxpk= 10, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 301, 302, 303,
&end
#
# 0 AMB 10-2:589 47 LYS HN 4.50 (# 589:10 Single Ambig)
&rst
ixpk= 589, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 787, 768,
&end
#
# 47 LYS HG- 47 LYS HN 5.50 (# 591:10 Unique 2.00, 2.90 A)
&rst
ixpk= 591, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 792, 793,
&end
#
# 0 AMB 10-2:592 0 AMB 10-1:592 3.50 (# 592:10 Double Ambig)
&rst
ixpk= 592, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 872, 131, 902,
igr2= 171, 937,
&end
#
# 11 ILE HB 11 ILE HN 3.50 (# 595:10 Unique 2.23, 2.37 A)
&rst
ixpk= 595, nxpk= 10, iat= 175, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:596 0 AMB 10-1:596 3.50 (# 596:10 Double Ambig)
&rst
ixpk= 596, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 181, 182, 924, 925, 926,
igr2= 171, 937,
&end
#
# 8 THR HA 56 PHE HN 4.50 (# 597:10 Unique 2.95, 3.66 A)
&rst
ixpk= 597, nxpk= 10, iat= 119, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 THR HB 8 THR HN 3.50 (# 603:10 Unique 2.54, 2.69 A)
&rst
ixpk= 603, nxpk= 10, iat= 121, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 GLN HG- 8 THR HN 5.50 (# 604:10 Unique 3.62, 4.85 A)
&rst
ixpk= 604, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 107, 108,
&end
#
# 67 ARG HN 68 THR HN 3.50 (# 606:10 Unique 2.57, 2.82 A)
&rst
ixpk= 606, nxpk= 10, iat=1095,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 THR HA 68 THR HN 3.50 (# 608:10 Unique 2.80, 2.87 A)
&rst
ixpk= 608, nxpk= 10, iat=1121,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 THR HB 68 THR HN 2.80 (# 609:10 Unique 2.53, 2.58 A)
&rst
ixpk= 609, nxpk= 10, iat=1123,1119, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 MET HB+ 68 THR HN 5.50 (# 610:10 Unique 4.72, 5.59 A)
&rst
ixpk= 610, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1137,1138,
&end
#
# 67 ARG HB- 68 THR HN 3.50 (# 611:10 Unique 1.98, 3.21 A)
&rst
ixpk= 611, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1099,1100,
&end
#
# 68 THR QG2 68 THR HN 4.50 (# 612:10 Unique 4.41, 4.54 A)
&rst
ixpk= 612, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1125,1126,1127,
&end
#
# 0 AMB 10-2:613 68 THR HN 5.50 (# 613:10 Single Ambig)
&rst
ixpk= 613, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 576, 577,1056,1057,1056,1057,
&end
#
# 0 AMB 10-2:614 68 THR HN 4.50 (# 614:10 Single Ambig)
&rst
ixpk= 614, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1150,1061,1062,
&end
#
# 0 AMB 10-2:615 68 THR HN 5.50 (# 615:10 Single Ambig)
&rst
ixpk= 615, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1076,1066,
&end
#
# 0 AMB 10-2:616 43 LEU HN 3.50 (# 616:10 Single Ambig)
&rst
ixpk= 616, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 715, 716, 718,
&end
#
# 0 AMB 10-2:617 43 LEU HN 5.50 (# 617:10 Single Ambig)
&rst
ixpk= 617, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 720, 721, 722, 724, 725, 726, 720, 721, 722, 724,
725, 726,
&end
#
# 55 ILE HA 55 ILE HN 4.50 (# 619:10 Unique 2.85, 2.95 A)
&rst
ixpk= 619, nxpk= 10, iat= 920, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ASP HN 55 ILE HN 4.50 (# 620:10 Unique 2.83, 2.92 A)
&rst
ixpk= 620, nxpk= 10, iat= 654, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLU HN 22 GLU HN 4.50 (# 621:10 Unique 2.73, 2.82 A)
&rst
ixpk= 621, nxpk= 10, iat= 351, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 GLN HA 51 GLN HN 3.50 (# 622:10 Unique 2.80, 2.93 A)
&rst
ixpk= 622, nxpk= 10, iat= 857, 855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ILE QD1 32 SER HN 4.50 (# 623:10 Unique 2.51, 3.97 A)
&rst
ixpk= 623, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 629, 630, 631,
&end
#
# 0 AMB 10-2:628 0 AMB 10-1:628 3.50 (# 628:10 Double Ambig)
&rst
ixpk= 628, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 208, 209,1284,1285,
igr2= 213, 214, 213, 214,
&end
#
# 0 AMB 10-2:629 13 ASN HD2- 2.80 (# 629:10 Single Ambig)
&rst
ixpk= 629, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 208, 209,1284,1285,
igr2= 213, 214,
&end
#
# 13 ASN HB- 13 ASN HD2- 3.50 (# 630:10 Unique 2.00, 3.22 A)
&rst
ixpk= 630, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 208, 209,
igr2= 213, 214,
&end
#
# 0 AMB 10-2:631 0 AMB 10-1:631 4.50 (# 631:10 Double Ambig)
&rst
ixpk= 631, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1265,1266,1318,1319,
igr2= 213, 214, 213, 214,
&end
#
# 13 ASN HB- 13 ASN HD2+ 3.50 (# 632:10 Unique 2.00, 3.22 A)
&rst
ixpk= 632, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 208, 209,
igr2= 213, 214,
&end
#
# 0 AMB 10-2:633 13 ASN HD2- 4.50 (# 633:10 Single Ambig)
&rst
ixpk= 633, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1287,1288,1290,1291,
igr2= 213, 214,
&end
#
# 0 AMB 10-2:634 0 AMB 10-1:634 5.50 (# 634:10 Double Ambig)
&rst
ixpk= 634, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=1287,1288,1290,1291,1308,1309,1310,
igr2= 213, 214, 213, 214, 213, 214,
&end
#
# 0 AMB 10-2:635 0 AMB 10-1:635 2.80 (# 635:10 Double Ambig)
&rst
ixpk= 635, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 90, 91, 90, 91,
igr2= 95, 96, 95, 96,
&end
#
# 0 AMB 10-2:636 6 ASN HD2- 3.50 (# 636:10 Single Ambig)
&rst
ixpk= 636, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 90, 91, 90, 91,
igr2= 95, 96,
&end
#
# 15 ASN HB+ 15 ASN HD2- 3.50 (# 649:10 Unique 2.15, 3.23 A)
&rst
ixpk= 649, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 241, 242,
igr2= 246, 247,
&end
#
# 15 ASN HB- 15 ASN HD2- 3.50 (# 650:10 Unique 2.15, 3.23 A)
&rst
ixpk= 650, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 241, 242,
igr2= 246, 247,
&end
#
# 0 AMB 10-2:651 15 ASN HD2- 3.50 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1232,1233, 279, 280, 279, 280,
igr2= 246, 247,
&end
#
# 0 AMB 10-2:652 0 AMB 10-1:652 4.50 (# 652:10 Double Ambig)
&rst
ixpk= 652, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 279, 280, 279, 280,
igr2= 246, 247, 246, 247,
&end
#
# 15 ASN HB+ 15 ASN HD2+ 4.50 (# 653:10 Unique 2.15, 3.23 A)
&rst
ixpk= 653, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 241, 242,
igr2= 246, 247,
&end
#
# 0 AMB 10-2:660 0 AMB 10-1:660 5.50 (# 660:10 Double Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 574,1054,
igr2=1061,1062,1061,1062,
&end
#
# 0 AMB 10-2:661 64 ASN HD2- 5.50 (# 661:10 Single Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 574,1054,
igr2=1061,1062,
&end
#
# 0 AMB 10-2:662 64 ASN HD2- 3.50 (# 662:10 Single Ambig)
&rst
ixpk= 662, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1056,1057,1056,1057, 576, 577,
igr2=1061,1062,
&end
#
# 0 AMB 10-2:663 0 AMB 10-1:663 2.80 (# 663:10 Double Ambig)
&rst
ixpk= 663, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1056,1057,1056,1057, 576, 577,
igr2=1061,1062,1061,1062,1061,1062,
&end
#
# 0 AMB 10-2:670 13 ASN HD2- 3.50 (# 670:10 Single Ambig)
&rst
ixpk= 670, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1265,1266,1318,1319,
igr2= 213, 214,
&end
#
# 36 GLN HG+ 36 GLN HE2+ 3.50 (# 671:10 Unique 2.15, 3.33 A)
&rst
ixpk= 671, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 606, 607,
igr2= 611, 612,
&end
#
# 36 GLN HG- 36 GLN HE2+ 5.50 (# 672:10 Unique 2.15, 3.33 A)
&rst
ixpk= 672, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 606, 607,
igr2= 611, 612,
&end
#
# 36 GLN HG+ 36 GLN HE2- 5.50 (# 673:10 Unique 2.15, 3.33 A)
&rst
ixpk= 673, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 606, 607,
igr2= 611, 612,
&end
#
# 0 AMB 10-2:679 51 GLN HE2- 3.50 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 859, 860, 859, 860, 862, 863,
igr2= 867, 868,
&end
#
# 0 AMB 10-2:680 0 AMB 10-1:680 3.50 (# 680:10 Double Ambig)
&rst
ixpk= 680, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 859, 860, 859, 860, 862, 863,
igr2= 867, 868, 867, 868, 867, 868,
&end
#
# 0 AMB 10-2:687 80 GLN HE2- 3.50 (# 687:10 Single Ambig)
&rst
ixpk= 687, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1321,1322,1321,1322,
igr2=1326,1327,
&end
#
# 0 AMB 10-2:688 0 AMB 10-1:688 3.50 (# 688:10 Double Ambig)
&rst
ixpk= 688, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1321,1322,1321,1322,
igr2=1326,1327,1326,1327,
&end
#
# 38 LEU QD+ 7 GLN HE2- 3.50 (# 697:10 Unique 2.55, 4.83 A)
&rst
ixpk= 697, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 644, 645, 646, 648, 649, 650,
igr2= 112, 113,
&end
#
# 7 GLN HG- 7 GLN HE2- 5.50 (# 698:10 Unique 2.25, 3.13 A)
&rst
ixpk= 698, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 107, 108,
igr2= 112, 113,
&end
#
# 7 GLN HG+ 7 GLN HE2- 3.50 (# 699:10 Unique 2.25, 3.13 A)
&rst
ixpk= 699, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 107, 108,
igr2= 112, 113,
&end
#
# 57 LYS HA 7 GLN HE2- 3.50 (# 700:10 Unique 2.64, 3.67 A)
&rst
ixpk= 700, nxpk= 10, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 112, 113,
&end
#
# 57 LYS HA 7 GLN HE2+ 3.50 (# 701:10 Unique 2.64, 3.67 A)
&rst
ixpk= 701, nxpk= 10, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 112, 113,
&end
#
# 38 LEU QD+ 7 GLN HE2+ 3.50 (# 702:10 Unique 2.55, 4.83 A)
&rst
ixpk= 702, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 644, 645, 646, 648, 649, 650,
igr2= 112, 113,
&end
#
# 7 GLN HG- 7 GLN HE2+ 3.50 (# 703:10 Unique 2.25, 3.13 A)
&rst
ixpk= 703, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 107, 108,
igr2= 112, 113,
&end
#
# 7 GLN HG+ 7 GLN HE2+ 3.50 (# 704:10 Unique 2.25, 3.13 A)
&rst
ixpk= 704, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 107, 108,
igr2= 112, 113,
&end
#
# 12 ASN HB- 12 ASN HD2- 3.50 (# 711:10 Unique 2.26, 3.41 A)
&rst
ixpk= 711, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 12 ASN HB- 12 ASN HD2+ 3.50 (# 712:10 Unique 2.26, 3.41 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 12 ASN HB+ 12 ASN HD2+ 3.50 (# 713:10 Unique 2.26, 3.41 A)
&rst
ixpk= 713, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 12 ASN HB+ 12 ASN HD2- 5.50 (# 714:10 Unique 2.26, 3.41 A)
&rst
ixpk= 714, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 0 AMB 10-2:719 70 GLN HE2- 3.50 (# 719:10 Single Ambig)
&rst
ixpk= 719, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1157,1158, 43, 44,
igr2=1162,1163,
&end
#
# 70 GLN HB+ 70 GLN HE2- 3.50 (# 720:10 Unique 1.95, 3.97 A)
&rst
ixpk= 720, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1154,1155,
igr2=1162,1163,
&end
#
# 70 GLN HB+ 70 GLN HE2+ 5.50 (# 721:10 Unique 1.95, 3.97 A)
&rst
ixpk= 721, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1154,1155,
igr2=1162,1163,
&end
#
# 0 AMB 10-2:722 0 AMB 10-1:722 3.50 (# 722:10 Double Ambig)
&rst
ixpk= 722, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1157,1158, 43, 44,
igr2=1162,1163,1162,1163,
&end
#
# 70 GLN HG- 70 GLN HE2- 3.50 (# 723:10 Unique 2.26, 3.34 A)
&rst
ixpk= 723, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1157,1158,
igr2=1162,1163,
&end
#
# 70 GLN HG- 70 GLN HE2+ 4.50 (# 724:10 Unique 2.26, 3.34 A)
&rst
ixpk= 724, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1157,1158,
igr2=1162,1163,
&end
#
# 81 ILE HB 70 GLN HE2- 3.50 (# 725:10 Unique 3.15, 3.97 A)
&rst
ixpk= 725, nxpk= 10, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1162,1163,
&end
#
# 0 AMB 10-2:726 0 AMB 10-1:726 4.50 (# 726:10 Double Ambig)
&rst
ixpk= 726, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1335,1080,1081,
igr2=1162,1163,1162,1163,
&end
#
# 66 LEU MDY 70 GLN HE2+ 5.50 (# 727:10 Unique 1.99, 4.95 A)
&rst
ixpk= 727, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1162,1163,
&end
#
# 66 LEU MDY 70 GLN HE2- 4.50 (# 728:10 Unique 1.99, 4.95 A)
&rst
ixpk= 728, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1162,1163,
&end
#
# 66 LEU MDX 70 GLN HE2- 5.50 (# 729:10 Unique 1.99, 4.95 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1162,1163,
&end
#
# 66 LEU MDX 70 GLN HE2+ 5.50 (# 730:10 Unique 1.99, 4.95 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1162,1163,
&end
#
# 35 GLY HA+ 35 GLY HN 4.50 (# 731:10 Unique 2.59, 2.82 A)
&rst
ixpk= 731, nxpk= 10, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 594, 595,
&end
#
# 34 PHE HA 35 GLY HN 4.50 (# 732:10 Unique 2.91, 3.33 A)
&rst
ixpk= 732, nxpk= 10, iat= 574, 592, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:733 35 GLY HN 5.50 (# 733:10 Single Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 557, 618,
&end
#
# 35 GLY HA- 35 GLY HN 4.50 (# 734:10 Unique 2.59, 2.82 A)
&rst
ixpk= 734, nxpk= 10, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 594, 595,
&end
#
# 77 LYS HN 74 PHE HN 5.50 (# 735:10 Unique 2.87, 4.25 A)
&rst
ixpk= 735, nxpk= 10, iat=1261,1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:736 11 ILE HN 5.50 (# 736:10 Single Ambig)
&rst
ixpk= 736, nxpk= 10, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 154, 155, 154, 155,
&end
#
# 79 MET HB- 81 ILE HN 5.50 (# 737:10 Unique 4.79, 5.40 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1301,1302,
&end
#
# 70 GLN HE2- 81 ILE HN 5.50 (# 738:10 Unique 2.13, 3.52 A)
&rst
ixpk= 738, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1162,1163,
&end
#
# 12 ASN HB+ 12 ASN HN 5.50 (# 739:10 Unique 2.46, 3.24 A)
&rst
ixpk= 739, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 194, 195,
&end
#
# 28 TYR HN 27 LEU HN 4.50 (# 740:10 Unique 2.74, 2.83 A)
&rst
ixpk= 740, nxpk= 10, iat= 474, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ALA QB 52 ALA HN 5.50 (# 741:10 Unique 5.54, 6.68 A)
&rst
ixpk= 741, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 705, 706, 707,
&end
#
# 0 AMB 10-2:742 54 VAL HN 4.50 (# 742:10 Single Ambig)
&rst
ixpk= 742, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 141, 142, 181, 182,
&end
#
# 8 THR QG2 54 VAL HN 5.50 (# 743:10 Unique 2.76, 3.69 A)
&rst
ixpk= 743, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 123, 124, 125,
&end
#
# 56 PHE QD 57 LYS HN 5.50 (# 744:10 Unique 3.19, 4.68 A)
&rst
ixpk= 744, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 945, 953,
&end
#
# 72 PHE HN 71 GLY HN 5.50 (# 745:10 Unique 2.55, 2.86 A)
&rst
ixpk= 745, nxpk= 10, iat=1174,1167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:748 77 LYS HN 4.50 (# 748:10 Single Ambig)
&rst
ixpk= 748, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1268,1269,1268,1269,
&end
#
# 77 LYS HB+ 77 LYS HN 3.50 (# 749:10 Unique 2.60, 3.36 A)
&rst
ixpk= 749, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1265,1266,
&end
#
# 24 LYS HN 25 LYS HN 5.50 (# 750:10 Unique 2.81, 2.87 A)
&rst
ixpk= 750, nxpk= 10, iat= 400, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 GLN HG+ 6 ASN HN 7.00 (# 751:10 Unique 6.22, 7.04 A)
&rst
ixpk= 751, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 107, 108,
&end
#
# 33 GLN HN 32 SER HN 4.50 (# 752:10 Unique 2.58, 2.91 A)
&rst
ixpk= 752, nxpk= 10, iat= 555, 544, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LYS HG+ 24 LYS HN 4.50 (# 753:10 Unique 2.49, 3.84 A)
&rst
ixpk= 753, nxpk= 10, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 407, 408,
&end
#
# 0 AMB 10-2:754 24 LYS HN 4.50 (# 754:10 Single Ambig)
&rst
ixpk= 754, nxpk= 10, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 410, 411, 333, 334,
&end
#
# 0 AMB 10-2:755 7 GLN HN 5.50 (# 755:10 Single Ambig)
&rst
ixpk= 755, nxpk= 10, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1004,1005, 137, 138, 139,1007,1008,1009, 924, 925,
926,
&end
#
# 6 ASN HA 7 GLN HN 4.50 (# 756:10 Unique 2.12, 2.49 A)
&rst
ixpk= 756, nxpk= 10, iat= 88, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 SER HA 64 ASN HD2- 5.50 (# 760:10 Unique 4.26, 5.30 A)
&rst
ixpk= 760, nxpk= 10, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1061,1062,
&end
#
# 80 GLN HB- 80 GLN HE2+ 4.50 (# 761:10 Unique 2.53, 4.40 A)
&rst
ixpk= 761, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1318,1319,
igr2=1326,1327,
&end
#
# 80 GLN HB- 80 GLN HE2- 5.50 (# 762:10 Unique 2.53, 4.40 A)
&rst
ixpk= 762, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1318,1319,
igr2=1326,1327,
&end
#
# 0 AMB 10-2:764 0 AMB 10-1:764 5.50 (# 764:10 Double Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 603, 604, 811, 812, 811, 812,
igr2= 611, 612, 867, 868, 867, 868,
&end
#
# 0 AMB 10-2:765 76 ASP HN 5.50 (# 765:10 Single Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 279, 280, 279, 280,
&end
#
# 77 LYS HN 76 ASP HN 5.50 (# 766:10 Unique 2.83, 3.18 A)
&rst
ixpk= 766, nxpk= 10, iat=1261,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLN HN 52 ALA HN 5.50 (# 767:10 Unique 4.30, 4.37 A)
&rst
ixpk= 767, nxpk= 10, iat= 855, 872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:769 28 TYR HN 5.50 (# 769:10 Single Ambig)
&rst
ixpk= 769, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 476, 402,
&end
#
# 0 AMB 10-2:771 62 ALA HN 5.50 (# 771:10 Single Ambig)
&rst
ixpk= 771, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 941, 942, 996,
&end
#
# 0 AMB 10-2:772 8 THR HN 5.50 (# 772:10 Single Ambig)
&rst
ixpk= 772, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 90, 91, 90, 91,
&end
#
# 6 ASN HA 6 ASN HN 5.50 (# 773:10 Unique 2.63, 2.88 A)
&rst
ixpk= 773, nxpk= 10, iat= 88, 86, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ASN HB- 13 ASN HN 5.50 (# 774:10 Unique 2.19, 3.98 A)
&rst
ixpk= 774, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 194, 195,
&end
#
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