NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492892 |
2ot2   |
15152 | cing | 1-original | 4 | AMBER | distance | NOE | ambi |
#
# 49 LEU MDY 67 THR HB 4.50 (# 8:21 Unique 3.54, 5.74 A)
&rst
ixpk= 8, nxpk= 21, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 721, 722, 723, 725, 726, 727,
&end
#
# 0 AMB 21-2:9 2 CYS HA 4.50 (# 9:21 Single Ambig)
&rst
ixpk= 9, nxpk= 21, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 25, 26, 25, 26,
&end
#
# 29 ASP HN 28 VAL HA 2.80 (# 23:21 Unique 2.16, 2.20 A)
&rst
ixpk= 23, nxpk= 21, iat= 420, 406, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 VAL HN 28 VAL HA 4.50 (# 24:21 Unique 2.91, 2.92 A)
&rst
ixpk= 24, nxpk= 21, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 GLY HN 3 ILE HA 4.50 (# 25:21 Unique 2.17, 2.31 A)
&rst
ixpk= 25, nxpk= 21, iat= 51, 34, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 ASP HA 28 VAL HA 6.00 (# 26:21 Unique 4.39, 4.42 A)
&rst
ixpk= 26, nxpk= 21, iat= 394, 406, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 VAL HB 28 VAL HA 3.50 (# 28:21 Unique 2.31, 2.58 A)
&rst
ixpk= 28, nxpk= 21, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 21-2:29 0 AMB 21-1:29 2.80 (# 29:21 Double Ambig)
&rst
ixpk= 29, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 45, 46, 47, 38, 39, 40, 410, 411, 412, 414,
415, 416,
igr2= 34, 406,
&end
#
# 3 ILE HN 3 ILE MG2 4.50 (# 31:21 Unique 2.11, 4.02 A)
&rst
ixpk= 31, nxpk= 21, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 38, 39, 40,
&end
#
# 3 ILE HA 3 ILE MG2 4.50 (# 32:21 Unique 2.10, 3.40 A)
&rst
ixpk= 32, nxpk= 21, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 38, 39, 40,
&end
#
# 3 ILE HB 3 ILE MG2 3.50 (# 33:21 Unique 2.22, 2.63 A)
&rst
ixpk= 33, nxpk= 21, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 38, 39, 40,
&end
#
# 3 ILE HG1- 3 ILE MG2 3.50 (# 34:21 Unique 2.12, 3.30 A)
&rst
ixpk= 34, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 42, 43,
igr2= 38, 39, 40,
&end
#
# 0 AMB 21-2:35 3 ILE MG2 3.50 (# 35:21 Single Ambig)
&rst
ixpk= 35, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 737, 738, 739, 741, 742, 743, 42, 43,
igr2= 38, 39, 40,
&end
#
# 3 ILE HB 3 ILE MD1 6.00 (# 36:21 Unique 2.27, 3.23 A)
&rst
ixpk= 36, nxpk= 21, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 45, 46, 47,
&end
#
# 3 ILE HG1- 3 ILE MD1 4.50 (# 37:21 Unique 2.20, 2.62 A)
&rst
ixpk= 37, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 42, 43,
igr2= 45, 46, 47,
&end
#
# 5 VAL HN 0 AMB 21-1:41 4.50 (# 41:21 Single Ambig)
&rst
ixpk= 41, nxpk= 21, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 53, 54, 53, 54,
&end
#
# 4 GLY HN 0 AMB 21-1:42 6.00 (# 42:21 Single Ambig)
&rst
ixpk= 42, nxpk= 21, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 53, 54, 53, 54,
&end
#
# 51 HIS HB- 0 AMB 21-1:43 6.00 (# 43:21 Single Ambig)
&rst
ixpk= 43, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 751, 752,
igr2= 53, 54, 53, 54,
&end
#
# 0 AMB 21-2:44 0 AMB 21-1:44 6.00 (# 44:21 Double Ambig)
&rst
ixpk= 44, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
igr2= 53, 54, 53, 54, 53, 54,
&end
#
# 0 AMB 21-2:46 5 VAL HA 6.00 (# 46:21 Single Ambig)
&rst
ixpk= 46, nxpk= 21, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 0 AMB 21-2:47 5 VAL HB 2.80 (# 47:21 Single Ambig)
&rst
ixpk= 47, nxpk= 21, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 6 PRO HD+ 5 VAL HB 6.00 (# 48:21 Unique 3.77, 4.44 A)
&rst
ixpk= 48, nxpk= 21, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 75, 76,
&end
#
# 20 ASP HA 25 GLN HG- 6.00 (# 49:21 Unique 1.92, 2.44 A)
&rst
ixpk= 49, nxpk= 21, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 358, 359,
&end
#
# 0 AMB 21-2:50 0 AMB 21-1:50 4.50 (# 50:21 Double Ambig)
&rst
ixpk= 50, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 353, 60,
igr2= 358, 359, 62,
&end
#
# 25 GLN HE2+ 25 GLN HG- 6.00 (# 51:21 Unique 2.65, 3.52 A)
&rst
ixpk= 51, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 363, 364,
igr2= 358, 359,
&end
#
# 5 VAL HN 5 VAL HB 4.50 (# 52:21 Unique 2.58, 2.90 A)
&rst
ixpk= 52, nxpk= 21, iat= 58, 62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:53 25 GLN HG- 4.50 (# 53:21 Single Ambig)
&rst
ixpk= 53, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 286, 351,
igr2= 358, 359,
&end
#
# 26 ARG HN 25 GLN HG- 6.00 (# 54:21 Unique 3.30, 3.92 A)
&rst
ixpk= 54, nxpk= 21, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 358, 359,
&end
#
# 5 VAL HN 0 AMB 21-1:55 4.50 (# 55:21 Single Ambig)
&rst
ixpk= 55, nxpk= 21, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 5 VAL HA 0 AMB 21-1:56 3.50 (# 56:21 Single Ambig)
&rst
ixpk= 56, nxpk= 21, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 6 PRO HD- 0 AMB 21-1:57 4.50 (# 57:21 Single Ambig)
&rst
ixpk= 57, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 75, 76,
igr2= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 0 AMB 21-2:58 0 AMB 21-1:58 4.50 (# 58:21 Double Ambig)
&rst
ixpk= 58, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 75, 76, 75, 76,
igr2= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 5 VAL HB 0 AMB 21-1:59 2.80 (# 59:21 Single Ambig)
&rst
ixpk= 59, nxpk= 21, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 3 ILE HA 0 AMB 21-1:60 6.00 (# 60:21 Single Ambig)
&rst
ixpk= 60, nxpk= 21, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 7 GLY HN 6 PRO HA 2.80 (# 61:21 Unique 2.16, 2.25 A)
&rst
ixpk= 61, nxpk= 21, iat= 88, 84, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 VAL HA 6 PRO HA 6.00 (# 63:21 Unique 4.80, 5.19 A)
&rst
ixpk= 63, nxpk= 21, iat= 698, 84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 LEU HA 6 PRO HA 3.50 (# 64:21 Unique 1.96, 2.05 A)
&rst
ixpk= 64, nxpk= 21, iat= 714, 84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 PRO HB+ 6 PRO HA 3.50 (# 65:21 Unique 2.30, 2.51 A)
&rst
ixpk= 65, nxpk= 21, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 81, 82,
&end
#
# 6 PRO HG- 6 PRO HA 6.00 (# 66:21 Unique 3.85, 3.94 A)
&rst
ixpk= 66, nxpk= 21, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 78, 79,
&end
#
# 49 LEU MDY 6 PRO HA 3.50 (# 67:21 Unique 2.64, 4.96 A)
&rst
ixpk= 67, nxpk= 21, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 721, 722, 723, 725, 726, 727,
&end
#
# 7 GLY HN 6 PRO HB+ 6.00 (# 68:21 Unique 2.72, 3.42 A)
&rst
ixpk= 68, nxpk= 21, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 81, 82,
&end
#
# 7 GLY HN 6 PRO HB- 6.00 (# 69:21 Unique 2.72, 3.42 A)
&rst
ixpk= 69, nxpk= 21, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 81, 82,
&end
#
# 0 AMB 21-2:70 0 AMB 21-1:70 4.50 (# 70:21 Double Ambig)
&rst
ixpk= 70, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 691, 484,
igr2= 81, 82, 488,
&end
#
# 47 TRP HZ3 6 PRO HB+ 6.00 (# 71:21 Unique 3.64, 4.64 A)
&rst
ixpk= 71, nxpk= 21, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 81, 82,
&end
#
# 47 TRP HZ3 6 PRO HB- 6.00 (# 72:21 Unique 3.64, 4.64 A)
&rst
ixpk= 72, nxpk= 21, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 81, 82,
&end
#
# 6 PRO HA 6 PRO HB+ 4.50 (# 73:21 Unique 2.30, 2.51 A)
&rst
ixpk= 73, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 81, 82,
&end
#
# 6 PRO HA 6 PRO HB- 6.00 (# 74:21 Unique 2.30, 2.51 A)
&rst
ixpk= 74, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 81, 82,
&end
#
# 64 ALA HA 6 PRO HB+ 4.50 (# 75:21 Unique 2.70, 2.97 A)
&rst
ixpk= 75, nxpk= 21, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 81, 82,
&end
#
# 64 ALA HA 6 PRO HB- 6.00 (# 76:21 Unique 2.70, 2.97 A)
&rst
ixpk= 76, nxpk= 21, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 81, 82,
&end
#
# 0 AMB 21-2:77 77 VAL HB 2.80 (# 77:21 Single Ambig)
&rst
ixpk= 77, nxpk= 21, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
&end
#
# 0 AMB 21-2:79 6 PRO HB- 3.50 (# 79:21 Single Ambig)
&rst
ixpk= 79, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 721, 722, 723, 725, 726, 727, 874, 875, 876,
igr2= 81, 82,
&end
#
# 0 AMB 21-2:80 0 AMB 21-1:80 2.80 (# 80:21 Double Ambig)
&rst
ixpk= 80, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 721, 722, 723, 725, 726, 727, 874, 875, 876,
igr2= 81, 82, 81, 82,
&end
#
# 68 LEU HN 6 PRO HG+ 6.00 (# 81:21 Unique 3.36, 3.83 A)
&rst
ixpk= 81, nxpk= 21, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 78, 79,
&end
#
# 68 LEU HN 6 PRO HG- 6.00 (# 82:21 Unique 3.36, 3.83 A)
&rst
ixpk= 82, nxpk= 21, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 78, 79,
&end
#
# 6 PRO HA 6 PRO HG+ 6.00 (# 83:21 Unique 3.85, 3.94 A)
&rst
ixpk= 83, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 78, 79,
&end
#
# 6 PRO HA 6 PRO HG- 6.00 (# 84:21 Unique 3.85, 3.94 A)
&rst
ixpk= 84, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 78, 79,
&end
#
# 5 VAL HA 6 PRO HG+ 6.00 (# 85:21 Unique 4.13, 4.27 A)
&rst
ixpk= 85, nxpk= 21, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 78, 79,
&end
#
# 67 THR HB 6 PRO HG- 6.00 (# 86:21 Unique 1.98, 2.76 A)
&rst
ixpk= 86, nxpk= 21, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 78, 79,
&end
#
# 67 THR HB 6 PRO HG+ 4.50 (# 87:21 Unique 1.98, 2.76 A)
&rst
ixpk= 87, nxpk= 21, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 78, 79,
&end
#
# 6 PRO HD+ 6 PRO HG+ 6.00 (# 88:21 Unique 2.30, 2.58 A)
&rst
ixpk= 88, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 75, 76,
igr2= 78, 79,
&end
#
# 6 PRO HD- 6 PRO HG+ 4.50 (# 89:21 Unique 2.30, 2.58 A)
&rst
ixpk= 89, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 75, 76,
igr2= 78, 79,
&end
#
# 6 PRO HD+ 6 PRO HG- 4.50 (# 90:21 Unique 2.30, 2.58 A)
&rst
ixpk= 90, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 75, 76,
igr2= 78, 79,
&end
#
# 6 PRO HD- 6 PRO HG- 4.50 (# 91:21 Unique 2.30, 2.58 A)
&rst
ixpk= 91, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 75, 76,
igr2= 78, 79,
&end
#
# 67 THR MG2 6 PRO HG+ 4.50 (# 94:21 Unique 2.39, 4.42 A)
&rst
ixpk= 94, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 986, 987, 988,
igr2= 78, 79,
&end
#
# 68 LEU MDY 6 PRO HG+ 4.50 (# 95:21 Unique 2.06, 4.95 A)
&rst
ixpk= 95, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1003,1004,1005,1007,1008,1009,
igr2= 78, 79,
&end
#
# 49 LEU MDY 6 PRO HG+ 4.50 (# 96:21 Unique 2.77, 5.98 A)
&rst
ixpk= 96, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 721, 722, 723, 725, 726, 727,
igr2= 78, 79,
&end
#
# 49 LEU MDY 6 PRO HG- 3.50 (# 97:21 Unique 2.77, 5.98 A)
&rst
ixpk= 97, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 721, 722, 723, 725, 726, 727,
igr2= 78, 79,
&end
#
# 67 THR MG2 6 PRO HG- 4.50 (# 98:21 Unique 2.39, 4.42 A)
&rst
ixpk= 98, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 986, 987, 988,
igr2= 78, 79,
&end
#
# 68 LEU MDY 6 PRO HG- 6.00 (# 99:21 Unique 2.06, 4.95 A)
&rst
ixpk= 99, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1003,1004,1005,1007,1008,1009,
igr2= 78, 79,
&end
#
# 5 VAL HA 6 PRO HD+ 2.80 (# 100:21 Unique 1.93, 2.17 A)
&rst
ixpk= 100, nxpk= 21, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 75, 76,
&end
#
# 5 VAL HA 6 PRO HD- 3.50 (# 101:21 Unique 1.93, 2.17 A)
&rst
ixpk= 101, nxpk= 21, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 75, 76,
&end
#
# 6 PRO HG+ 6 PRO HD+ 4.50 (# 104:21 Unique 2.30, 2.58 A)
&rst
ixpk= 104, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 78, 79,
igr2= 75, 76,
&end
#
# 6 PRO HG+ 6 PRO HD- 4.50 (# 105:21 Unique 2.30, 2.58 A)
&rst
ixpk= 105, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 78, 79,
igr2= 75, 76,
&end
#
# 6 PRO HB- 6 PRO HD+ 4.50 (# 106:21 Unique 2.98, 3.70 A)
&rst
ixpk= 106, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 81, 82,
igr2= 75, 76,
&end
#
# 6 PRO HB- 6 PRO HD- 4.50 (# 107:21 Unique 2.98, 3.70 A)
&rst
ixpk= 107, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 81, 82,
igr2= 75, 76,
&end
#
# 6 PRO HG- 6 PRO HD- 4.50 (# 108:21 Unique 2.30, 2.58 A)
&rst
ixpk= 108, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 78, 79,
igr2= 75, 76,
&end
#
# 6 PRO HG- 6 PRO HD+ 4.50 (# 109:21 Unique 2.30, 2.58 A)
&rst
ixpk= 109, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 78, 79,
igr2= 75, 76,
&end
#
# 68 LEU HG 6 PRO HD+ 6.00 (# 110:21 Unique 2.63, 3.98 A)
&rst
ixpk= 110, nxpk= 21, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 75, 76,
&end
#
# 68 LEU HG 6 PRO HD- 6.00 (# 111:21 Unique 2.63, 3.98 A)
&rst
ixpk= 111, nxpk= 21, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 75, 76,
&end
#
# 49 LEU MDY 6 PRO HD+ 4.50 (# 112:21 Unique 2.40, 5.85 A)
&rst
ixpk= 112, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 721, 722, 723, 725, 726, 727,
igr2= 75, 76,
&end
#
# 0 AMB 21-2:113 0 AMB 21-1:113 3.50 (# 113:21 Double Ambig)
&rst
ixpk= 113, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
igr2= 75, 76, 75, 76,
&end
#
# 67 THR MG2 6 PRO HD+ 4.50 (# 114:21 Unique 1.99, 3.59 A)
&rst
ixpk= 114, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 986, 987, 988,
igr2= 75, 76,
&end
#
# 49 LEU MDY 6 PRO HD- 6.00 (# 115:21 Unique 2.40, 5.85 A)
&rst
ixpk= 115, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 721, 722, 723, 725, 726, 727,
igr2= 75, 76,
&end
#
# 0 AMB 21-2:116 6 PRO HD- 2.80 (# 116:21 Single Ambig)
&rst
ixpk= 116, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
igr2= 75, 76,
&end
#
# 67 THR MG2 6 PRO HD- 4.50 (# 117:21 Unique 1.99, 3.59 A)
&rst
ixpk= 117, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 986, 987, 988,
igr2= 75, 76,
&end
#
# 7 GLY HN 7 GLY HA- 4.50 (# 118:21 Unique 2.49, 2.77 A)
&rst
ixpk= 118, nxpk= 21, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 90, 91,
&end
#
# 8 GLN HN 7 GLY HA- 4.50 (# 119:21 Unique 2.44, 2.56 A)
&rst
ixpk= 119, nxpk= 21, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 90, 91,
&end
#
# 8 GLN HN 7 GLY HA+ 4.50 (# 120:21 Unique 2.44, 2.56 A)
&rst
ixpk= 120, nxpk= 21, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 90, 91,
&end
#
# 47 TRP HZ3 7 GLY HA- 6.00 (# 121:21 Unique 2.53, 3.49 A)
&rst
ixpk= 121, nxpk= 21, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 90, 91,
&end
#
# 6 PRO HA 7 GLY HA- 6.00 (# 122:21 Unique 4.31, 4.39 A)
&rst
ixpk= 122, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 90, 91,
&end
#
# 21 VAL HA 7 GLY HA- 4.50 (# 124:21 Unique 3.41, 3.86 A)
&rst
ixpk= 124, nxpk= 21, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 90, 91,
&end
#
# 21 VAL HA 7 GLY HA+ 6.00 (# 125:21 Unique 3.41, 3.86 A)
&rst
ixpk= 125, nxpk= 21, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 90, 91,
&end
#
# 0 AMB 21-2:126 7 GLY HA- 6.00 (# 126:21 Single Ambig)
&rst
ixpk= 126, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 302, 700,
igr2= 90, 91,
&end
#
# 21 VAL MGY 7 GLY HA- 6.00 (# 127:21 Unique 3.11, 5.63 A)
&rst
ixpk= 127, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 304, 305, 306, 308, 309, 310,
igr2= 90, 91,
&end
#
# 21 VAL MGX 7 GLY HA- 4.50 (# 128:21 Unique 3.11, 5.63 A)
&rst
ixpk= 128, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 304, 305, 306, 308, 309, 310,
igr2= 90, 91,
&end
#
# 19 VAL MGY 7 GLY HA- 6.00 (# 129:21 Unique 1.86, 3.80 A)
&rst
ixpk= 129, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 276, 277, 278, 280, 281, 282,
igr2= 90, 91,
&end
#
# 19 VAL MGX 7 GLY HA- 3.50 (# 130:21 Unique 1.86, 3.80 A)
&rst
ixpk= 130, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 276, 277, 278, 280, 281, 282,
igr2= 90, 91,
&end
#
# 48 VAL HN 8 GLN HA 6.00 (# 131:21 Unique 3.69, 3.84 A)
&rst
ixpk= 131, nxpk= 21, iat= 696, 97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ILE HN 8 GLN HA 2.80 (# 132:21 Unique 2.16, 2.18 A)
&rst
ixpk= 132, nxpk= 21, iat= 112, 97, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 TRP HA 8 GLN HA 3.50 (# 133:21 Unique 2.37, 2.46 A)
&rst
ixpk= 133, nxpk= 21, iat= 674, 97, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 21-2:135 0 AMB 21-1:135 6.00 (# 135:21 Double Ambig)
&rst
ixpk= 135, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 122, 123,1327,1328,
igr2= 97,1216,
&end
#
# 8 GLN HB+ 8 GLN HA 4.50 (# 136:21 Unique 2.58, 2.81 A)
&rst
ixpk= 136, nxpk= 21, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 99, 100,
&end
#
# 8 GLN HG- 8 GLN HA 3.50 (# 137:21 Unique 2.20, 2.67 A)
&rst
ixpk= 137, nxpk= 21, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 102, 103,
&end
#
# 8 GLN HB- 8 GLN HA 4.50 (# 138:21 Unique 2.58, 2.81 A)
&rst
ixpk= 138, nxpk= 21, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 99, 100,
&end
#
# 8 GLN HN 8 GLN HB- 4.50 (# 139:21 Unique 2.47, 2.69 A)
&rst
ixpk= 139, nxpk= 21, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 99, 100,
&end
#
# 8 GLN HN 8 GLN HB+ 4.50 (# 140:21 Unique 2.47, 2.69 A)
&rst
ixpk= 140, nxpk= 21, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 99, 100,
&end
#
# 8 GLN HA 8 GLN HB- 4.50 (# 141:21 Unique 2.58, 2.81 A)
&rst
ixpk= 141, nxpk= 21, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 99, 100,
&end
#
# 8 GLN HA 8 GLN HB+ 4.50 (# 142:21 Unique 2.58, 2.81 A)
&rst
ixpk= 142, nxpk= 21, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 99, 100,
&end
#
# 8 GLN HG- 8 GLN HB- 4.50 (# 144:21 Unique 2.29, 2.72 A)
&rst
ixpk= 144, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 102, 103,
igr2= 99, 100,
&end
#
# 8 GLN HG- 8 GLN HB+ 4.50 (# 145:21 Unique 2.29, 2.72 A)
&rst
ixpk= 145, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 102, 103,
igr2= 99, 100,
&end
#
# 9 ILE HN 8 GLN HG+ 6.00 (# 146:21 Unique 2.87, 3.05 A)
&rst
ixpk= 146, nxpk= 21, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 9 ILE HN 8 GLN HG- 6.00 (# 147:21 Unique 2.87, 3.05 A)
&rst
ixpk= 147, nxpk= 21, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 8 GLN HE2+ 8 GLN HG+ 4.50 (# 148:21 Unique 2.37, 3.08 A)
&rst
ixpk= 148, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 107, 108,
igr2= 102, 103,
&end
#
# 8 GLN HE2+ 8 GLN HG- 4.50 (# 149:21 Unique 2.37, 3.08 A)
&rst
ixpk= 149, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 107, 108,
igr2= 102, 103,
&end
#
# 8 GLN HE2- 8 GLN HG- 6.00 (# 150:21 Unique 2.37, 3.08 A)
&rst
ixpk= 150, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 107, 108,
igr2= 102, 103,
&end
#
# 8 GLN HE2- 8 GLN HG+ 6.00 (# 151:21 Unique 2.37, 3.08 A)
&rst
ixpk= 151, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 107, 108,
igr2= 102, 103,
&end
#
# 45 GLY HA+ 8 GLN HG- 6.00 (# 152:21 Unique 3.88, 4.79 A)
&rst
ixpk= 152, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 650, 651,
igr2= 102, 103,
&end
#
# 45 GLY HA+ 8 GLN HG+ 6.00 (# 153:21 Unique 3.88, 4.79 A)
&rst
ixpk= 153, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 650, 651,
igr2= 102, 103,
&end
#
# 8 GLN HA 8 GLN HG+ 4.50 (# 154:21 Unique 2.20, 2.67 A)
&rst
ixpk= 154, nxpk= 21, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 102, 103,
&end
#
# 8 GLN HA 8 GLN HG- 4.50 (# 155:21 Unique 2.20, 2.67 A)
&rst
ixpk= 155, nxpk= 21, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 102, 103,
&end
#
# 45 GLY HA- 8 GLN HG- 6.00 (# 156:21 Unique 3.88, 4.79 A)
&rst
ixpk= 156, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 650, 651,
igr2= 102, 103,
&end
#
# 45 GLY HA- 8 GLN HG+ 6.00 (# 157:21 Unique 3.88, 4.79 A)
&rst
ixpk= 157, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 650, 651,
igr2= 102, 103,
&end
#
# 8 GLN HB- 8 GLN HG+ 4.50 (# 160:21 Unique 2.29, 2.72 A)
&rst
ixpk= 160, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 99, 100,
igr2= 102, 103,
&end
#
# 8 GLN HB- 8 GLN HG- 4.50 (# 161:21 Unique 2.29, 2.72 A)
&rst
ixpk= 161, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 99, 100,
igr2= 102, 103,
&end
#
# 10 ARG HN 9 ILE HA 3.50 (# 162:21 Unique 2.89, 2.91 A)
&rst
ixpk= 162, nxpk= 21, iat= 131, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ILE HN 9 ILE HA 6.00 (# 163:21 Unique 2.88, 2.89 A)
&rst
ixpk= 163, nxpk= 21, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 ASP HN 9 ILE HA 6.00 (# 164:21 Unique 4.12, 4.19 A)
&rst
ixpk= 164, nxpk= 21, iat= 286, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 THR HN 9 ILE HA 6.00 (# 165:21 Unique 3.29, 3.37 A)
&rst
ixpk= 165, nxpk= 21, iat= 155, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL HA 9 ILE HA 3.50 (# 166:21 Unique 2.78, 2.84 A)
&rst
ixpk= 166, nxpk= 21, iat= 272, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 GLN HA 9 ILE HA 6.00 (# 167:21 Unique 4.35, 4.35 A)
&rst
ixpk= 167, nxpk= 21, iat= 97, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ILE HB 9 ILE HA 6.00 (# 168:21 Unique 3.01, 3.01 A)
&rst
ixpk= 168, nxpk= 21, iat= 116, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ILE HG1- 9 ILE HA 4.50 (# 169:21 Unique 2.64, 2.92 A)
&rst
ixpk= 169, nxpk= 21, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 122, 123,
&end
#
# 17 ALA MB 9 ILE HA 6.00 (# 170:21 Unique 3.22, 4.22 A)
&rst
ixpk= 170, nxpk= 21, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 242, 243, 244,
&end
#
# 9 ILE MG2 9 ILE HA 2.80 (# 171:21 Unique 2.35, 3.00 A)
&rst
ixpk= 171, nxpk= 21, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 118, 119, 120,
&end
#
# 19 VAL MGX 9 ILE HA 4.50 (# 172:21 Unique 3.27, 5.35 A)
&rst
ixpk= 172, nxpk= 21, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 9 ILE HN 9 ILE HB 4.50 (# 173:21 Unique 2.64, 2.67 A)
&rst
ixpk= 173, nxpk= 21, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLY HN 9 ILE HB 6.00 (# 174:21 Unique 4.57, 4.77 A)
&rst
ixpk= 174, nxpk= 21, iat= 648, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 GLN HN 9 ILE HB 6.00 (# 175:21 Unique 4.39, 4.45 A)
&rst
ixpk= 175, nxpk= 21, iat= 655, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:176 9 ILE HB 6.00 (# 176:21 Single Ambig)
&rst
ixpk= 176, nxpk= 21, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 272, 171,
&end
#
# 0 AMB 21-2:177 9 ILE HB 6.00 (# 177:21 Single Ambig)
&rst
ixpk= 177, nxpk= 21, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 610, 97,
&end
#
# 9 ILE HA 9 ILE HB 6.00 (# 178:21 Unique 3.01, 3.01 A)
&rst
ixpk= 178, nxpk= 21, iat= 114, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 VAL HA 9 ILE HB 6.00 (# 179:21 Unique 2.44, 2.93 A)
&rst
ixpk= 179, nxpk= 21, iat= 634, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ILE HG1- 9 ILE HB 4.50 (# 180:21 Unique 2.46, 2.75 A)
&rst
ixpk= 180, nxpk= 21, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 122, 123,
&end
#
# 9 ILE MG2 9 ILE HB 2.80 (# 181:21 Unique 2.22, 2.63 A)
&rst
ixpk= 181, nxpk= 21, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 118, 119, 120,
&end
#
# 10 ARG HN 9 ILE MG2 4.50 (# 182:21 Unique 4.41, 5.15 A)
&rst
ixpk= 182, nxpk= 21, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 118, 119, 120,
&end
#
# 9 ILE HN 9 ILE MG2 6.00 (# 183:21 Unique 4.41, 4.56 A)
&rst
ixpk= 183, nxpk= 21, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 118, 119, 120,
&end
#
# 45 GLY HN 9 ILE MG2 6.00 (# 184:21 Unique 5.82, 6.86 A)
&rst
ixpk= 184, nxpk= 21, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 118, 119, 120,
&end
#
# 18 LYS HN 9 ILE MG2 6.00 (# 185:21 Unique 3.14, 4.18 A)
&rst
ixpk= 185, nxpk= 21, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 118, 119, 120,
&end
#
# 11 THR HN 9 ILE MG2 6.00 (# 186:21 Unique 3.57, 4.74 A)
&rst
ixpk= 186, nxpk= 21, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 118, 119, 120,
&end
#
# 0 AMB 21-2:187 9 ILE MG2 6.00 (# 187:21 Single Ambig)
&rst
ixpk= 187, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 272, 133,
igr2= 118, 119, 120,
&end
#
# 9 ILE HA 9 ILE MG2 4.50 (# 188:21 Unique 2.35, 3.00 A)
&rst
ixpk= 188, nxpk= 21, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 118, 119, 120,
&end
#
# 0 AMB 21-2:189 9 ILE MG2 4.50 (# 189:21 Single Ambig)
&rst
ixpk= 189, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 634, 618, 619,
igr2= 118, 119, 120,
&end
#
# 0 AMB 21-2:190 9 ILE MG2 3.50 (# 190:21 Single Ambig)
&rst
ixpk= 190, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 612, 613, 116,
igr2= 118, 119, 120,
&end
#
# 9 ILE HG1- 9 ILE MG2 4.50 (# 191:21 Unique 2.32, 3.49 A)
&rst
ixpk= 191, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 122, 123,
igr2= 118, 119, 120,
&end
#
# 17 ALA MB 9 ILE MG2 2.80 (# 192:21 Unique 1.97, 2.90 A)
&rst
ixpk= 192, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 242, 243, 244,
igr2= 118, 119, 120,
&end
#
# 0 AMB 21-2:193 9 ILE MG2 3.50 (# 193:21 Single Ambig)
&rst
ixpk= 193, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 182, 183, 184, 175, 176, 177,
igr2= 118, 119, 120,
&end
#
# 9 ILE HN 9 ILE HG1- 4.50 (# 194:21 Unique 1.96, 2.62 A)
&rst
ixpk= 194, nxpk= 21, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 122, 123,
&end
#
# 9 ILE HN 9 ILE HG1+ 6.00 (# 195:21 Unique 1.96, 2.62 A)
&rst
ixpk= 195, nxpk= 21, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 122, 123,
&end
#
# 9 ILE HA 9 ILE HG1- 6.00 (# 196:21 Unique 2.64, 2.92 A)
&rst
ixpk= 196, nxpk= 21, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 122, 123,
&end
#
# 9 ILE HA 9 ILE HG1+ 6.00 (# 197:21 Unique 2.64, 2.92 A)
&rst
ixpk= 197, nxpk= 21, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 122, 123,
&end
#
# 17 ALA MB 9 ILE HG1+ 6.00 (# 199:21 Unique 3.82, 5.11 A)
&rst
ixpk= 199, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 242, 243, 244,
igr2= 122, 123,
&end
#
# 0 AMB 21-2:201 9 ILE MD1 6.00 (# 201:21 Single Ambig)
&rst
ixpk= 201, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 112, 672,
igr2= 125, 126, 127,
&end
#
# 45 GLY HN 9 ILE MD1 6.00 (# 202:21 Unique 5.36, 6.71 A)
&rst
ixpk= 202, nxpk= 21, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
&end
#
# 46 GLN HN 9 ILE MD1 6.00 (# 203:21 Unique 4.10, 5.46 A)
&rst
ixpk= 203, nxpk= 21, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
&end
#
# 46 GLN HA 9 ILE MD1 6.00 (# 204:21 Unique 4.96, 6.13 A)
&rst
ixpk= 204, nxpk= 21, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
&end
#
# 0 AMB 21-2:205 9 ILE MD1 6.00 (# 205:21 Single Ambig)
&rst
ixpk= 205, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 610, 509,
igr2= 125, 126, 127,
&end
#
# 9 ILE HA 9 ILE MD1 6.00 (# 206:21 Unique 4.40, 4.70 A)
&rst
ixpk= 206, nxpk= 21, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
&end
#
# 43 ARG HD+ 9 ILE MD1 6.00 (# 207:21 Unique 2.02, 3.57 A)
&rst
ixpk= 207, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619,
igr2= 125, 126, 127,
&end
#
# 43 ARG HD- 9 ILE MD1 6.00 (# 208:21 Unique 2.02, 3.57 A)
&rst
ixpk= 208, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619,
igr2= 125, 126, 127,
&end
#
# 46 GLN HB+ 9 ILE MD1 4.50 (# 209:21 Unique 3.18, 4.42 A)
&rst
ixpk= 209, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 659, 660,
igr2= 125, 126, 127,
&end
#
# 43 ARG HB+ 9 ILE MD1 2.80 (# 210:21 Unique 1.98, 2.89 A)
&rst
ixpk= 210, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 612, 613,
igr2= 125, 126, 127,
&end
#
# 9 ILE HG1- 9 ILE MD1 3.50 (# 211:21 Unique 2.21, 2.62 A)
&rst
ixpk= 211, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 122, 123,
igr2= 125, 126, 127,
&end
#
# 10 ARG HN 9 ILE MD1 6.00 (# 212:21 Unique 6.43, 6.68 A)
&rst
ixpk= 212, nxpk= 21, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
&end
#
# 0 AMB 21-2:213 9 ILE MD1 4.50 (# 213:21 Single Ambig)
&rst
ixpk= 213, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 612, 613, 851, 852, 853, 855, 856, 857,
igr2= 125, 126, 127,
&end
#
# 0 AMB 21-2:214 9 ILE MD1 2.80 (# 214:21 Single Ambig)
&rst
ixpk= 214, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 702, 703, 704, 706, 707, 708, 851, 852, 853, 855,
856, 857,
igr2= 125, 126, 127,
&end
#
# 10 ARG HN 10 ARG HA 4.50 (# 215:21 Unique 2.68, 2.69 A)
&rst
ixpk= 215, nxpk= 21, iat= 131, 133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 TRP HN 46 GLN HA 2.80 (# 216:21 Unique 2.23, 2.26 A)
&rst
ixpk= 216, nxpk= 21, iat= 672, 657, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 GLY HN 0 AMB 21-1:217 6.00 (# 217:21 Single Ambig)
&rst
ixpk= 217, nxpk= 21, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 657, 133,
&end
#
# 46 GLN HN 46 GLN HA 4.50 (# 218:21 Unique 2.84, 2.86 A)
&rst
ixpk= 218, nxpk= 21, iat= 655, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HN 10 ARG HA 6.00 (# 219:21 Unique 3.52, 3.53 A)
&rst
ixpk= 219, nxpk= 21, iat= 155, 133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HD1 46 GLN HA 6.00 (# 220:21 Unique 2.90, 3.02 A)
&rst
ixpk= 220, nxpk= 21, iat= 680, 657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ARG HD+ 10 ARG HA 3.50 (# 221:21 Unique 2.38, 3.30 A)
&rst
ixpk= 221, nxpk= 21, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 141, 142,
&end
#
# 10 ARG HD- 10 ARG HA 4.50 (# 222:21 Unique 2.38, 3.30 A)
&rst
ixpk= 222, nxpk= 21, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 141, 142,
&end
#
# 0 AMB 21-2:223 46 GLN HA 2.80 (# 223:21 Single Ambig)
&rst
ixpk= 223, nxpk= 21, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 662, 663, 662, 663,
&end
#
# 46 GLN HB- 46 GLN HA 4.50 (# 224:21 Unique 2.62, 2.83 A)
&rst
ixpk= 224, nxpk= 21, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 659, 660,
&end
#
# 0 AMB 21-2:225 10 ARG HA 3.50 (# 225:21 Single Ambig)
&rst
ixpk= 225, nxpk= 21, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 135, 136, 135, 136,
&end
#
# 0 AMB 21-2:226 10 ARG HA 4.50 (# 226:21 Single Ambig)
&rst
ixpk= 226, nxpk= 21, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 138, 139, 138, 139,
&end
#
# 0 AMB 21-2:227 10 ARG HA 4.50 (# 227:21 Single Ambig)
&rst
ixpk= 227, nxpk= 21, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
&end
#
# 10 ARG HN 0 AMB 21-1:228 4.50 (# 228:21 Single Ambig)
&rst
ixpk= 228, nxpk= 21, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 135, 136, 135, 136,
&end
#
# 11 THR HN 0 AMB 21-1:229 4.50 (# 229:21 Single Ambig)
&rst
ixpk= 229, nxpk= 21, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 135, 136, 135, 136,
&end
#
# 10 ARG HA 0 AMB 21-1:230 3.50 (# 230:21 Single Ambig)
&rst
ixpk= 230, nxpk= 21, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 135, 136, 135, 136,
&end
#
# 0 AMB 21-2:231 0 AMB 21-1:231 6.00 (# 231:21 Double Ambig)
&rst
ixpk= 231, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 141, 142, 141, 142,
igr2= 135, 136, 135, 136,
&end
#
# 10 ARG HD- 0 AMB 21-1:232 4.50 (# 232:21 Single Ambig)
&rst
ixpk= 232, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 141, 142,
igr2= 135, 136, 135, 136,
&end
#
# 0 AMB 21-2:233 0 AMB 21-1:233 2.80 (# 233:21 Double Ambig)
&rst
ixpk= 233, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 138, 139, 138, 139, 138, 139,
igr2= 135, 136, 135, 136, 135, 136,
&end
#
# 11 THR MG2 0 AMB 21-1:234 6.00 (# 234:21 Single Ambig)
&rst
ixpk= 234, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 161, 162, 163,
igr2= 135, 136, 135, 136,
&end
#
# 10 ARG HN 0 AMB 21-1:235 4.50 (# 235:21 Single Ambig)
&rst
ixpk= 235, nxpk= 21, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 138, 139, 138, 139,
&end
#
# 20 ASP HN 0 AMB 21-1:236 6.00 (# 236:21 Single Ambig)
&rst
ixpk= 236, nxpk= 21, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 138, 139, 138, 139,
&end
#
# 0 AMB 21-2:237 0 AMB 21-1:237 6.00 (# 237:21 Double Ambig)
&rst
ixpk= 237, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 107, 108, 107, 108, 155,
igr2= 138, 139, 138, 139, 138, 139,
&end
#
# 0 AMB 21-2:238 0 AMB 21-1:238 6.00 (# 238:21 Double Ambig)
&rst
ixpk= 238, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 363, 364, 363, 364,
igr2= 138, 139, 138, 139,
&end
#
# 10 ARG HA 0 AMB 21-1:239 3.50 (# 239:21 Single Ambig)
&rst
ixpk= 239, nxpk= 21, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 138, 139, 138, 139,
&end
#
# 9 ILE HA 0 AMB 21-1:240 6.00 (# 240:21 Single Ambig)
&rst
ixpk= 240, nxpk= 21, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 138, 139, 138, 139,
&end
#
# 0 AMB 21-2:241 0 AMB 21-1:241 3.50 (# 241:21 Double Ambig)
&rst
ixpk= 241, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 141, 142, 141, 142,
igr2= 138, 139, 138, 139,
&end
#
# 10 ARG HD- 0 AMB 21-1:242 4.50 (# 242:21 Single Ambig)
&rst
ixpk= 242, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 141, 142,
igr2= 138, 139, 138, 139,
&end
#
# 0 AMB 21-2:243 0 AMB 21-1:243 6.00 (# 243:21 Double Ambig)
&rst
ixpk= 243, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 290, 291, 290, 291,
igr2= 138, 139, 138, 139,
&end
#
# 20 ASP HB- 0 AMB 21-1:244 4.50 (# 244:21 Single Ambig)
&rst
ixpk= 244, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 290, 291,
igr2= 138, 139, 138, 139,
&end
#
# 54 PHE HN 54 PHE HB+ 4.50 (# 245:21 Unique 2.65, 3.39 A)
&rst
ixpk= 245, nxpk= 21, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 791, 792,
&end
#
# 54 PHE HN 54 PHE HB- 6.00 (# 246:21 Unique 2.65, 3.39 A)
&rst
ixpk= 246, nxpk= 21, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 791, 792,
&end
#
# 54 PHE HD 54 PHE HB+ 4.50 (# 247:21 Unique 2.33, 3.03 A)
&rst
ixpk= 247, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 795, 803,
igr2= 791, 792,
&end
#
# 55 ALA HN 54 PHE HB- 6.00 (# 248:21 Unique 1.91, 2.50 A)
&rst
ixpk= 248, nxpk= 21, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 791, 792,
&end
#
# 54 PHE HA 54 PHE HB+ 4.50 (# 249:21 Unique 2.35, 2.73 A)
&rst
ixpk= 249, nxpk= 21, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 791, 792,
&end
#
# 54 PHE HA 54 PHE HB- 4.50 (# 250:21 Unique 2.35, 2.73 A)
&rst
ixpk= 250, nxpk= 21, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 791, 792,
&end
#
# 26 ARG HA 26 ARG HD+ 4.50 (# 251:21 Unique 1.93, 2.74 A)
&rst
ixpk= 251, nxpk= 21, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 378, 379,
&end
#
# 26 ARG HA 26 ARG HD- 6.00 (# 252:21 Unique 1.93, 2.74 A)
&rst
ixpk= 252, nxpk= 21, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 378, 379,
&end
#
# 0 AMB 21-2:253 0 AMB 21-1:253 3.50 (# 253:21 Double Ambig)
&rst
ixpk= 253, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 474, 475, 476, 478, 479, 480, 338, 339, 340,
igr2= 791, 792, 378, 379,
&end
#
# 0 AMB 21-2:254 0 AMB 21-1:254 4.50 (# 254:21 Double Ambig)
&rst
ixpk= 254, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 474, 475, 476, 478, 479, 480, 338, 339, 340,
igr2= 791, 792, 378, 379,
&end
#
# 12 ILE HN 11 THR HA 2.80 (# 255:21 Unique 2.15, 2.16 A)
&rst
ixpk= 255, nxpk= 21, iat= 169, 157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 THR HN 11 THR HA 4.50 (# 256:21 Unique 2.94, 2.94 A)
&rst
ixpk= 256, nxpk= 21, iat= 155, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HB 11 THR HA 3.50 (# 257:21 Unique 2.87, 2.91 A)
&rst
ixpk= 257, nxpk= 21, iat= 159, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR MG2 11 THR HA 3.50 (# 258:21 Unique 2.10, 2.80 A)
&rst
ixpk= 258, nxpk= 21, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 161, 162, 163,
&end
#
# 12 ILE HN 11 THR HB 3.50 (# 259:21 Unique 3.53, 3.65 A)
&rst
ixpk= 259, nxpk= 21, iat= 169, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR HN 11 THR HB 6.00 (# 260:21 Unique 3.11, 3.15 A)
&rst
ixpk= 260, nxpk= 21, iat= 155, 159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 THR HA 11 THR HB 3.50 (# 262:21 Unique 2.87, 2.91 A)
&rst
ixpk= 262, nxpk= 21, iat= 157, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 LYS HB+ 11 THR HB 6.00 (# 263:21 Unique 1.92, 2.26 A)
&rst
ixpk= 263, nxpk= 21, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 252, 253,
&end
#
# 18 LYS HB- 11 THR HB 6.00 (# 264:21 Unique 1.92, 2.26 A)
&rst
ixpk= 264, nxpk= 21, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 252, 253,
&end
#
# 0 AMB 21-2:265 11 THR HB 6.00 (# 265:21 Single Ambig)
&rst
ixpk= 265, nxpk= 21, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 258, 259, 255, 256,
&end
#
# 11 THR MG2 11 THR HB 2.80 (# 266:21 Unique 2.31, 2.64 A)
&rst
ixpk= 266, nxpk= 21, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 161, 162, 163,
&end
#
# 0 AMB 21-2:268 11 THR HB 6.00 (# 268:21 Single Ambig)
&rst
ixpk= 268, nxpk= 21, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 118, 119, 120, 410, 411, 412, 414, 415, 416,
&end
#
# 10 ARG HN 11 THR HB 6.00 (# 269:21 Unique 5.98, 6.06 A)
&rst
ixpk= 269, nxpk= 21, iat= 131, 159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 THR HN 11 THR MG2 6.00 (# 270:21 Unique 4.10, 4.54 A)
&rst
ixpk= 270, nxpk= 21, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 161, 162, 163,
&end
#
# 11 THR HA 11 THR MG2 3.50 (# 271:21 Unique 2.10, 2.80 A)
&rst
ixpk= 271, nxpk= 21, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 161, 162, 163,
&end
#
# 11 THR HB 11 THR MG2 2.80 (# 272:21 Unique 2.31, 2.64 A)
&rst
ixpk= 272, nxpk= 21, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 161, 162, 163,
&end
#
# 0 AMB 21-2:273 11 THR MG2 6.00 (# 273:21 Single Ambig)
&rst
ixpk= 273, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 135, 136, 135, 136,
igr2= 161, 162, 163,
&end
#
# 13 ASP HN 12 ILE HA 2.80 (# 274:21 Unique 2.15, 2.16 A)
&rst
ixpk= 274, nxpk= 21, iat= 188, 171, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 ILE HN 12 ILE HA 6.00 (# 275:21 Unique 2.94, 2.94 A)
&rst
ixpk= 275, nxpk= 21, iat= 169, 171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LYS HN 12 ILE HA 6.00 (# 276:21 Unique 3.35, 3.43 A)
&rst
ixpk= 276, nxpk= 21, iat= 248, 171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HA 12 ILE HA 3.50 (# 277:21 Unique 2.13, 2.21 A)
&rst
ixpk= 277, nxpk= 21, iat= 240, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 ILE HB 12 ILE HA 4.50 (# 278:21 Unique 3.01, 3.02 A)
&rst
ixpk= 278, nxpk= 21, iat= 173, 171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA MB 12 ILE HA 4.50 (# 279:21 Unique 2.02, 3.00 A)
&rst
ixpk= 279, nxpk= 21, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 242, 243, 244,
&end
#
# 12 ILE MG2 12 ILE HA 3.50 (# 280:21 Unique 2.26, 3.07 A)
&rst
ixpk= 280, nxpk= 21, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 175, 176, 177,
&end
#
# 9 ILE MG2 12 ILE HA 4.50 (# 281:21 Unique 3.52, 4.05 A)
&rst
ixpk= 281, nxpk= 21, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 118, 119, 120,
&end
#
# 12 ILE HN 12 ILE HB 4.50 (# 282:21 Unique 2.76, 2.80 A)
&rst
ixpk= 282, nxpk= 21, iat= 169, 173, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 LEU HN 84 LEU HB- 6.00 (# 283:21 Unique 2.73, 3.23 A)
&rst
ixpk= 283, nxpk= 21, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1228,1229,
&end
#
# 12 ILE HA 12 ILE HB 4.50 (# 284:21 Unique 3.01, 3.02 A)
&rst
ixpk= 284, nxpk= 21, iat= 171, 173, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 LEU HA 84 LEU HB- 4.50 (# 285:21 Unique 2.26, 2.57 A)
&rst
ixpk= 285, nxpk= 21, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1228,1229,
&end
#
# 0 AMB 21-2:287 12 ILE HB 2.80 (# 287:21 Single Ambig)
&rst
ixpk= 287, nxpk= 21, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 182, 183, 184, 175, 176, 177,
&end
#
# 9 ILE MG2 12 ILE HB 6.00 (# 288:21 Unique 4.64, 5.19 A)
&rst
ixpk= 288, nxpk= 21, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 118, 119, 120,
&end
#
# 0 AMB 21-2:289 0 AMB 21-1:289 2.80 (# 289:21 Double Ambig)
&rst
ixpk= 289, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 171, 836,
igr2= 175, 176, 177, 490, 491, 492, 494, 495, 496,
&end
#
# 0 AMB 21-2:290 0 AMB 21-1:290 3.50 (# 290:21 Double Ambig)
&rst
ixpk= 290, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 845, 188,
igr2= 490, 491, 492, 494, 495, 496, 175, 176, 177,
&end
#
# 35 SER HB- 12 ILE MG2 4.50 (# 291:21 Unique 2.23, 3.71 A)
&rst
ixpk= 291, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 511, 512,
igr2= 175, 176, 177,
&end
#
# 12 ILE HN 12 ILE HG1- 6.00 (# 292:21 Unique 3.00, 3.76 A)
&rst
ixpk= 292, nxpk= 21, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 12 ILE HN 12 ILE HG1+ 6.00 (# 293:21 Unique 3.00, 3.76 A)
&rst
ixpk= 293, nxpk= 21, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 12 ILE HA 12 ILE HG1- 4.50 (# 294:21 Unique 2.47, 2.85 A)
&rst
ixpk= 294, nxpk= 21, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 179, 180,
&end
#
# 12 ILE HA 12 ILE HG1+ 6.00 (# 295:21 Unique 2.47, 2.85 A)
&rst
ixpk= 295, nxpk= 21, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 12 ILE HB 12 ILE HG1+ 4.50 (# 297:21 Unique 2.77, 2.85 A)
&rst
ixpk= 297, nxpk= 21, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 179, 180,
&end
#
# 0 AMB 21-2:299 0 AMB 21-1:299 2.80 (# 299:21 Double Ambig)
&rst
ixpk= 299, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 175, 176, 177, 182, 183, 184,
igr2= 179, 180, 179, 180,
&end
#
# 12 ILE MD1 12 ILE HG1- 2.80 (# 300:21 Unique 2.22, 2.62 A)
&rst
ixpk= 300, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 182, 183, 184,
igr2= 179, 180,
&end
#
# 12 ILE HN 12 ILE MD1 6.00 (# 301:21 Unique 2.77, 4.08 A)
&rst
ixpk= 301, nxpk= 21, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 182, 183, 184,
&end
#
# 43 ARG HN 12 ILE MD1 4.50 (# 302:21 Unique 1.95, 3.55 A)
&rst
ixpk= 302, nxpk= 21, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 182, 183, 184,
&end
#
# 44 VAL HN 12 ILE MD1 6.00 (# 303:21 Unique 2.02, 2.90 A)
&rst
ixpk= 303, nxpk= 21, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 182, 183, 184,
&end
#
# 36 CYS HA 12 ILE MD1 6.00 (# 304:21 Unique 5.49, 7.13 A)
&rst
ixpk= 304, nxpk= 21, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 182, 183, 184,
&end
#
# 12 ILE HA 12 ILE MD1 6.00 (# 305:21 Unique 4.13, 4.59 A)
&rst
ixpk= 305, nxpk= 21, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 182, 183, 184,
&end
#
# 42 PRO HB+ 12 ILE MD1 4.50 (# 306:21 Unique 3.12, 4.28 A)
&rst
ixpk= 306, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 601, 602,
igr2= 182, 183, 184,
&end
#
# 43 ARG HB+ 12 ILE MD1 6.00 (# 307:21 Unique 2.53, 4.78 A)
&rst
ixpk= 307, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 612, 613,
igr2= 182, 183, 184,
&end
#
# 12 ILE HB 12 ILE MD1 3.50 (# 308:21 Unique 2.06, 2.86 A)
&rst
ixpk= 308, nxpk= 21, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 182, 183, 184,
&end
#
# 12 ILE HG1- 12 ILE MD1 2.80 (# 309:21 Unique 2.22, 2.62 A)
&rst
ixpk= 309, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 179, 180,
igr2= 182, 183, 184,
&end
#
# 13 ASP HN 13 ASP HB- 4.50 (# 310:21 Unique 2.35, 2.88 A)
&rst
ixpk= 310, nxpk= 21, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 192, 193,
&end
#
# 13 ASP HN 13 ASP HB+ 2.80 (# 311:21 Unique 2.35, 2.88 A)
&rst
ixpk= 311, nxpk= 21, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 192, 193,
&end
#
# 14 GLY HN 13 ASP HB+ 6.00 (# 312:21 Unique 3.55, 4.20 A)
&rst
ixpk= 312, nxpk= 21, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 192, 193,
&end
#
# 14 GLY HN 13 ASP HB- 6.00 (# 313:21 Unique 3.55, 4.20 A)
&rst
ixpk= 313, nxpk= 21, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 192, 193,
&end
#
# 13 ASP HA 13 ASP HB- 3.50 (# 314:21 Unique 2.37, 2.78 A)
&rst
ixpk= 314, nxpk= 21, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 192, 193,
&end
#
# 13 ASP HA 13 ASP HB+ 4.50 (# 315:21 Unique 2.37, 2.78 A)
&rst
ixpk= 315, nxpk= 21, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 192, 193,
&end
#
# 14 GLY HN 14 GLY HA+ 4.50 (# 318:21 Unique 2.30, 2.53 A)
&rst
ixpk= 318, nxpk= 21, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 202, 203,
&end
#
# 14 GLY HN 14 GLY HA- 3.50 (# 319:21 Unique 2.30, 2.53 A)
&rst
ixpk= 319, nxpk= 21, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 202, 203,
&end
#
# 15 ASN HN 14 GLY HA- 4.50 (# 320:21 Unique 2.14, 2.74 A)
&rst
ixpk= 320, nxpk= 21, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 202, 203,
&end
#
# 15 ASN HN 14 GLY HA+ 3.50 (# 321:21 Unique 2.14, 2.74 A)
&rst
ixpk= 321, nxpk= 21, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 202, 203,
&end
#
# 16 GLN HN 14 GLY HA+ 6.00 (# 322:21 Unique 3.35, 4.10 A)
&rst
ixpk= 322, nxpk= 21, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 202, 203,
&end
#
# 16 GLN HN 14 GLY HA- 6.00 (# 323:21 Unique 3.35, 4.10 A)
&rst
ixpk= 323, nxpk= 21, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 202, 203,
&end
#
# 13 ASP HA 14 GLY HA+ 6.00 (# 324:21 Unique 4.38, 4.38 A)
&rst
ixpk= 324, nxpk= 21, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 202, 203,
&end
#
# 13 ASP HA 14 GLY HA- 6.00 (# 325:21 Unique 4.38, 4.38 A)
&rst
ixpk= 325, nxpk= 21, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 202, 203,
&end
#
# 12 ILE MG2 14 GLY HA+ 6.00 (# 328:21 Unique 5.05, 6.31 A)
&rst
ixpk= 328, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 175, 176, 177,
igr2= 202, 203,
&end
#
# 12 ILE MG2 14 GLY HA- 6.00 (# 329:21 Unique 5.05, 6.31 A)
&rst
ixpk= 329, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 175, 176, 177,
igr2= 202, 203,
&end
#
# 15 ASN HD2+ 15 ASN HB+ 6.00 (# 330:21 Unique 2.12, 3.23 A)
&rst
ixpk= 330, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 216, 217,
igr2= 211, 212,
&end
#
# 15 ASN HD2+ 15 ASN HB- 4.50 (# 331:21 Unique 2.12, 3.23 A)
&rst
ixpk= 331, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 216, 217,
igr2= 211, 212,
&end
#
# 0 AMB 21-2:336 0 AMB 21-1:336 6.00 (# 336:21 Double Ambig)
&rst
ixpk= 336, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 436, 437, 439,
igr2= 211, 212, 211, 212,
&end
#
# 31 THR MG2 15 ASN HB+ 6.00 (# 337:21 Unique 2.10, 3.48 A)
&rst
ixpk= 337, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 457, 458, 459,
igr2= 211, 212,
&end
#
# 31 THR MG2 15 ASN HB- 6.00 (# 338:21 Unique 2.10, 3.48 A)
&rst
ixpk= 338, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 457, 458, 459,
igr2= 211, 212,
&end
#
# 0 AMB 21-2:339 15 ASN HB- 6.00 (# 339:21 Single Ambig)
&rst
ixpk= 339, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 436, 437, 439,
igr2= 211, 212,
&end
#
# 17 ALA HN 16 GLN HB- 6.00 (# 340:21 Unique 2.32, 3.36 A)
&rst
ixpk= 340, nxpk= 21, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 225, 226,
&end
#
# 17 ALA HN 16 GLN HB+ 6.00 (# 341:21 Unique 2.32, 3.36 A)
&rst
ixpk= 341, nxpk= 21, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 225, 226,
&end
#
# 16 GLN HN 16 GLN HB+ 4.50 (# 342:21 Unique 2.39, 3.19 A)
&rst
ixpk= 342, nxpk= 21, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 225, 226,
&end
#
# 0 AMB 21-2:343 0 AMB 21-1:343 4.50 (# 343:21 Double Ambig)
&rst
ixpk= 343, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1320, 221,
igr2=1309,1310, 225, 226,
&end
#
# 0 AMB 21-2:344 0 AMB 21-1:344 4.50 (# 344:21 Double Ambig)
&rst
ixpk= 344, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 422, 223,
igr2= 225, 226, 225, 226,
&end
#
# 0 AMB 21-2:345 16 GLN HB- 4.50 (# 345:21 Single Ambig)
&rst
ixpk= 345, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 422, 223,
igr2= 225, 226,
&end
#
# 17 ALA HN 0 AMB 21-1:346 6.00 (# 346:21 Single Ambig)
&rst
ixpk= 346, nxpk= 21, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 228, 229, 228, 229,
&end
#
# 13 ASP HN 0 AMB 21-1:347 6.00 (# 347:21 Single Ambig)
&rst
ixpk= 347, nxpk= 21, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 228, 229, 228, 229,
&end
#
# 16 GLN HN 0 AMB 21-1:348 4.50 (# 348:21 Single Ambig)
&rst
ixpk= 348, nxpk= 21, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 228, 229, 228, 229,
&end
#
# 0 AMB 21-2:349 0 AMB 21-1:349 4.50 (# 349:21 Double Ambig)
&rst
ixpk= 349, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 233, 234, 233, 234,
igr2= 228, 229, 228, 229,
&end
#
# 16 GLN HE2- 0 AMB 21-1:350 6.00 (# 350:21 Single Ambig)
&rst
ixpk= 350, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 233, 234,
igr2= 228, 229, 228, 229,
&end
#
# 0 AMB 21-2:351 0 AMB 21-1:351 3.50 (# 351:21 Double Ambig)
&rst
ixpk= 351, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 422, 223,
igr2= 228, 229, 228, 229,
&end
#
# 18 LYS HN 17 ALA HA 2.80 (# 353:21 Unique 2.47, 2.53 A)
&rst
ixpk= 353, nxpk= 21, iat= 248, 240, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 ASP HN 17 ALA HA 4.50 (# 354:21 Unique 2.06, 2.19 A)
&rst
ixpk= 354, nxpk= 21, iat= 188, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ILE HN 17 ALA HA 6.00 (# 355:21 Unique 4.52, 4.56 A)
&rst
ixpk= 355, nxpk= 21, iat= 169, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HN 17 ALA HA 4.50 (# 356:21 Unique 2.89, 2.91 A)
&rst
ixpk= 356, nxpk= 21, iat= 238, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ILE HA 17 ALA HA 2.80 (# 358:21 Unique 2.13, 2.21 A)
&rst
ixpk= 358, nxpk= 21, iat= 171, 240, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 LYS HB- 17 ALA HA 6.00 (# 360:21 Unique 4.02, 4.65 A)
&rst
ixpk= 360, nxpk= 21, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 252, 253,
&end
#
# 17 ALA MB 17 ALA HA 2.80 (# 361:21 Unique 2.28, 2.63 A)
&rst
ixpk= 361, nxpk= 21, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 242, 243, 244,
&end
#
# 12 ILE MG2 17 ALA HA 4.50 (# 362:21 Unique 3.74, 4.74 A)
&rst
ixpk= 362, nxpk= 21, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 175, 176, 177,
&end
#
# 9 ILE MG2 17 ALA HA 4.50 (# 363:21 Unique 4.08, 4.70 A)
&rst
ixpk= 363, nxpk= 21, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 118, 119, 120,
&end
#
# 30 LEU HN 17 ALA MB 6.00 (# 365:21 Unique 5.23, 6.33 A)
&rst
ixpk= 365, nxpk= 21, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 242, 243, 244,
&end
#
# 17 ALA HN 17 ALA MB 3.50 (# 366:21 Unique 2.29, 3.30 A)
&rst
ixpk= 366, nxpk= 21, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 242, 243, 244,
&end
#
# 28 VAL HN 17 ALA MB 6.00 (# 367:21 Unique 4.68, 5.35 A)
&rst
ixpk= 367, nxpk= 21, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 242, 243, 244,
&end
#
# 13 ASP HN 17 ALA MB 6.00 (# 368:21 Unique 3.38, 4.20 A)
&rst
ixpk= 368, nxpk= 21, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 242, 243, 244,
&end
#
# 18 LYS HN 17 ALA MB 4.50 (# 369:21 Unique 2.02, 3.06 A)
&rst
ixpk= 369, nxpk= 21, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 242, 243, 244,
&end
#
# 11 THR HN 17 ALA MB 6.00 (# 370:21 Unique 4.31, 5.39 A)
&rst
ixpk= 370, nxpk= 21, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 242, 243, 244,
&end
#
# 17 ALA HA 17 ALA MB 2.80 (# 371:21 Unique 2.28, 2.63 A)
&rst
ixpk= 371, nxpk= 21, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 242, 243, 244,
&end
#
# 0 AMB 21-2:372 17 ALA MB 6.00 (# 372:21 Single Ambig)
&rst
ixpk= 372, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 223, 422,
igr2= 242, 243, 244,
&end
#
# 12 ILE HA 17 ALA MB 4.50 (# 373:21 Unique 2.02, 3.00 A)
&rst
ixpk= 373, nxpk= 21, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 242, 243, 244,
&end
#
# 35 SER HA 17 ALA MB 6.00 (# 374:21 Unique 4.37, 5.58 A)
&rst
ixpk= 374, nxpk= 21, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 242, 243, 244,
&end
#
# 9 ILE HA 17 ALA MB 6.00 (# 375:21 Unique 3.22, 4.22 A)
&rst
ixpk= 375, nxpk= 21, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 242, 243, 244,
&end
#
# 30 LEU HG 17 ALA MB 4.50 (# 376:21 Unique 2.89, 3.84 A)
&rst
ixpk= 376, nxpk= 21, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 242, 243, 244,
&end
#
# 30 LEU MDY 17 ALA MB 3.50 (# 377:21 Unique 1.96, 3.64 A)
&rst
ixpk= 377, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 441, 442, 443, 445, 446, 447,
igr2= 242, 243, 244,
&end
#
# 19 VAL HN 18 LYS HA 2.80 (# 378:21 Unique 2.17, 2.17 A)
&rst
ixpk= 378, nxpk= 21, iat= 270, 250, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 21-2:379 18 LYS HA 3.50 (# 379:21 Single Ambig)
&rst
ixpk= 379, nxpk= 21, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 252, 253, 358, 359,
&end
#
# 18 LYS HD- 18 LYS HA 4.50 (# 380:21 Unique 3.91, 4.39 A)
&rst
ixpk= 380, nxpk= 21, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 258, 259,
&end
#
# 18 LYS HG- 18 LYS HA 4.50 (# 381:21 Unique 2.07, 2.55 A)
&rst
ixpk= 381, nxpk= 21, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 255, 256,
&end
#
# 0 AMB 21-2:382 18 LYS HA 6.00 (# 382:21 Single Ambig)
&rst
ixpk= 382, nxpk= 21, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 261, 262, 261, 262,
&end
#
# 18 LYS HN 18 LYS HB+ 4.50 (# 383:21 Unique 2.52, 2.82 A)
&rst
ixpk= 383, nxpk= 21, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 252, 253,
&end
#
# 18 LYS HN 18 LYS HB- 6.00 (# 384:21 Unique 2.52, 2.82 A)
&rst
ixpk= 384, nxpk= 21, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 252, 253,
&end
#
# 11 THR HN 18 LYS HB+ 6.00 (# 385:21 Unique 3.32, 3.79 A)
&rst
ixpk= 385, nxpk= 21, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 252, 253,
&end
#
# 11 THR HN 18 LYS HB- 6.00 (# 386:21 Unique 3.32, 3.79 A)
&rst
ixpk= 386, nxpk= 21, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 252, 253,
&end
#
# 18 LYS HA 18 LYS HB- 4.50 (# 387:21 Unique 2.71, 2.84 A)
&rst
ixpk= 387, nxpk= 21, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 252, 253,
&end
#
# 18 LYS HA 18 LYS HB+ 6.00 (# 388:21 Unique 2.71, 2.84 A)
&rst
ixpk= 388, nxpk= 21, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 252, 253,
&end
#
# 0 AMB 21-2:389 0 AMB 21-1:389 6.00 (# 389:21 Double Ambig)
&rst
ixpk= 389, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 261, 262, 261, 262,
igr2= 252, 253, 252, 253,
&end
#
# 0 AMB 21-2:390 18 LYS HB- 6.00 (# 390:21 Single Ambig)
&rst
ixpk= 390, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 261, 262, 261, 262,
igr2= 252, 253,
&end
#
# 18 LYS HN 18 LYS HG+ 6.00 (# 393:21 Unique 4.32, 4.55 A)
&rst
ixpk= 393, nxpk= 21, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 255, 256,
&end
#
# 18 LYS HN 18 LYS HG- 6.00 (# 394:21 Unique 4.32, 4.55 A)
&rst
ixpk= 394, nxpk= 21, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 255, 256,
&end
#
# 26 ARG HN 18 LYS HG+ 6.00 (# 395:21 Unique 3.44, 4.47 A)
&rst
ixpk= 395, nxpk= 21, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 255, 256,
&end
#
# 26 ARG HN 18 LYS HG- 6.00 (# 396:21 Unique 3.44, 4.47 A)
&rst
ixpk= 396, nxpk= 21, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 255, 256,
&end
#
# 18 LYS HA 18 LYS HG+ 6.00 (# 397:21 Unique 2.07, 2.55 A)
&rst
ixpk= 397, nxpk= 21, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 255, 256,
&end
#
# 18 LYS HA 18 LYS HG- 6.00 (# 398:21 Unique 2.07, 2.55 A)
&rst
ixpk= 398, nxpk= 21, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 255, 256,
&end
#
# 0 AMB 21-2:399 0 AMB 21-1:399 4.50 (# 399:21 Double Ambig)
&rst
ixpk= 399, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 261, 262, 261, 262,
igr2= 255, 256, 255, 256,
&end
#
# 0 AMB 21-2:400 18 LYS HG- 4.50 (# 400:21 Single Ambig)
&rst
ixpk= 400, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 261, 262, 261, 262,
igr2= 255, 256,
&end
#
# 0 AMB 21-2:401 0 AMB 21-1:401 4.50 (# 401:21 Double Ambig)
&rst
ixpk= 401, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 358, 359, 355, 356, 252, 253,
igr2= 255, 256, 255, 256, 255, 256,
&end
#
# 0 AMB 21-2:402 18 LYS HG- 4.50 (# 402:21 Single Ambig)
&rst
ixpk= 402, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 358, 359, 355, 356, 252, 253,
igr2= 255, 256,
&end
#
# 0 AMB 21-2:403 18 LYS HD- 6.00 (# 403:21 Single Ambig)
&rst
ixpk= 403, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 368, 270,
igr2= 258, 259,
&end
#
# 18 LYS HA 18 LYS HD- 4.50 (# 407:21 Unique 3.91, 4.39 A)
&rst
ixpk= 407, nxpk= 21, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 258, 259,
&end
#
# 18 LYS HA 18 LYS HD+ 4.50 (# 408:21 Unique 3.91, 4.39 A)
&rst
ixpk= 408, nxpk= 21, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 258, 259,
&end
#
# 0 AMB 21-2:410 18 LYS HD- 4.50 (# 410:21 Single Ambig)
&rst
ixpk= 410, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 261, 262, 261, 262,
igr2= 258, 259,
&end
#
# 0 AMB 21-2:411 0 AMB 21-1:411 4.50 (# 411:21 Double Ambig)
&rst
ixpk= 411, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 261, 262, 261, 262,
igr2= 258, 259, 258, 259,
&end
#
# 18 LYS HD- 0 AMB 21-1:415 4.50 (# 415:21 Single Ambig)
&rst
ixpk= 415, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 258, 259,
igr2= 261, 262, 261, 262,
&end
#
# 0 AMB 21-2:416 0 AMB 21-1:416 2.80 (# 416:21 Double Ambig)
&rst
ixpk= 416, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 255, 256, 258, 259,
igr2= 261, 262, 261, 262,
&end
#
# 0 AMB 21-2:417 0 AMB 21-1:417 6.00 (# 417:21 Double Ambig)
&rst
ixpk= 417, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 355, 356, 355, 356,
igr2= 261, 262, 261, 262,
&end
#
# 18 LYS HA 0 AMB 21-1:418 6.00 (# 418:21 Single Ambig)
&rst
ixpk= 418, nxpk= 21, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 261, 262, 261, 262,
&end
#
# 9 ILE HA 19 VAL HA 3.50 (# 420:21 Unique 2.78, 2.84 A)
&rst
ixpk= 420, nxpk= 21, iat= 114, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 VAL HB 19 VAL HA 3.50 (# 421:21 Unique 2.79, 2.82 A)
&rst
ixpk= 421, nxpk= 21, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 VAL MGY 19 VAL HA 3.50 (# 422:21 Unique 1.95, 3.23 A)
&rst
ixpk= 422, nxpk= 21, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 19 VAL MGX 19 VAL HA 4.50 (# 423:21 Unique 1.95, 3.23 A)
&rst
ixpk= 423, nxpk= 21, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 20 ASP HN 19 VAL HA 2.80 (# 424:21 Unique 2.15, 2.17 A)
&rst
ixpk= 424, nxpk= 21, iat= 286, 272, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 VAL HN 19 VAL HA 4.50 (# 425:21 Unique 2.87, 2.87 A)
&rst
ixpk= 425, nxpk= 21, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ARG HN 19 VAL HA 4.50 (# 426:21 Unique 4.11, 4.17 A)
&rst
ixpk= 426, nxpk= 21, iat= 131, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 VAL HN 19 VAL HB 3.50 (# 427:21 Unique 2.14, 2.15 A)
&rst
ixpk= 427, nxpk= 21, iat= 270, 274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ASP HN 19 VAL HB 6.00 (# 428:21 Unique 4.36, 4.41 A)
&rst
ixpk= 428, nxpk= 21, iat= 286, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LYS HA 19 VAL HB 6.00 (# 429:21 Unique 4.27, 4.27 A)
&rst
ixpk= 429, nxpk= 21, iat= 250, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL HA 19 VAL HB 6.00 (# 430:21 Unique 2.79, 2.82 A)
&rst
ixpk= 430, nxpk= 21, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ILE HA 19 VAL HB 6.00 (# 431:21 Unique 4.79, 4.93 A)
&rst
ixpk= 431, nxpk= 21, iat= 114, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:433 19 VAL HB 3.50 (# 433:21 Single Ambig)
&rst
ixpk= 433, nxpk= 21, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416, 276, 277, 278, 280, 281, 282,
&end
#
# 19 VAL MGX 19 VAL HB 3.50 (# 434:21 Unique 2.23, 2.63 A)
&rst
ixpk= 434, nxpk= 21, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 7 GLY HN 19 VAL MGX 6.00 (# 435:21 Unique 2.05, 3.83 A)
&rst
ixpk= 435, nxpk= 21, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 0 AMB 21-2:436 19 VAL MGX 4.50 (# 436:21 Single Ambig)
&rst
ixpk= 436, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 368, 270,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 20 ASP HN 19 VAL MGX 4.50 (# 437:21 Unique 2.84, 3.91 A)
&rst
ixpk= 437, nxpk= 21, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 8 GLN HN 19 VAL MGX 4.50 (# 438:21 Unique 3.17, 4.44 A)
&rst
ixpk= 438, nxpk= 21, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 7 GLY HA+ 19 VAL MGX 4.50 (# 439:21 Unique 1.86, 3.80 A)
&rst
ixpk= 439, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 90, 91,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 19 VAL HA 19 VAL MGX 2.80 (# 440:21 Unique 1.95, 3.23 A)
&rst
ixpk= 440, nxpk= 21, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 9 ILE HA 19 VAL MGX 4.50 (# 441:21 Unique 3.27, 5.35 A)
&rst
ixpk= 441, nxpk= 21, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 7 GLY HA- 19 VAL MGX 3.50 (# 442:21 Unique 1.86, 3.80 A)
&rst
ixpk= 442, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 90, 91,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 0 AMB 21-2:443 19 VAL MGX 6.00 (# 443:21 Single Ambig)
&rst
ixpk= 443, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 700, 302,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 0 AMB 21-2:444 19 VAL MGX 6.00 (# 444:21 Single Ambig)
&rst
ixpk= 444, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 290, 291, 81, 82,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 0 AMB 21-2:445 19 VAL MGX 2.80 (# 445:21 Single Ambig)
&rst
ixpk= 445, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 274, 122, 123,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 0 AMB 21-2:446 19 VAL MGY 4.50 (# 446:21 Single Ambig)
&rst
ixpk= 446, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 368, 270,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 28 VAL HN 19 VAL MGY 6.00 (# 447:21 Unique 5.63, 6.89 A)
&rst
ixpk= 447, nxpk= 21, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 10 ARG HN 19 VAL MGY 6.00 (# 448:21 Unique 4.96, 6.80 A)
&rst
ixpk= 448, nxpk= 21, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 29 ASP HN 0 AMB 21-1:449 4.50 (# 449:21 Single Ambig)
&rst
ixpk= 449, nxpk= 21, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 55 ALA HN 0 AMB 21-1:450 6.00 (# 450:21 Single Ambig)
&rst
ixpk= 450, nxpk= 21, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 54 PHE HA 0 AMB 21-1:451 3.50 (# 451:21 Single Ambig)
&rst
ixpk= 451, nxpk= 21, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 19 VAL HA 19 VAL MGY 3.50 (# 453:21 Unique 1.95, 3.23 A)
&rst
ixpk= 453, nxpk= 21, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 9 ILE HA 19 VAL MGY 3.50 (# 454:21 Unique 3.27, 5.35 A)
&rst
ixpk= 454, nxpk= 21, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 50 VAL HB 0 AMB 21-1:455 4.50 (# 455:21 Single Ambig)
&rst
ixpk= 455, nxpk= 21, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 19 VAL HB 19 VAL MGY 2.80 (# 456:21 Unique 2.23, 2.63 A)
&rst
ixpk= 456, nxpk= 21, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 0 AMB 21-2:457 0 AMB 21-1:457 4.50 (# 457:21 Double Ambig)
&rst
ixpk= 457, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 811, 812, 813, 242, 243, 244,
igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 26 ARG HN 20 ASP HA 3.50 (# 458:21 Unique 3.55, 3.61 A)
&rst
ixpk= 458, nxpk= 21, iat= 368, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 VAL HN 20 ASP HA 2.80 (# 459:21 Unique 2.14, 2.14 A)
&rst
ixpk= 459, nxpk= 21, iat= 298, 288, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 21-2:460 20 ASP HA 6.00 (# 460:21 Single Ambig)
&rst
ixpk= 460, nxpk= 21, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 332, 155,
&end
#
# 20 ASP HB+ 20 ASP HA 4.50 (# 461:21 Unique 2.46, 2.75 A)
&rst
ixpk= 461, nxpk= 21, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 290, 291,
&end
#
# 25 GLN HG+ 20 ASP HA 3.50 (# 462:21 Unique 1.92, 2.44 A)
&rst
ixpk= 462, nxpk= 21, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 358, 359,
&end
#
# 25 GLN HG- 20 ASP HA 4.50 (# 463:21 Unique 1.92, 2.44 A)
&rst
ixpk= 463, nxpk= 21, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 358, 359,
&end
#
# 78 GLU HA 78 GLU HB- 4.50 (# 464:21 Unique 2.30, 2.67 A)
&rst
ixpk= 464, nxpk= 21, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1154,1155,
&end
#
# 20 ASP HN 20 ASP HB+ 2.80 (# 465:21 Unique 2.49, 2.58 A)
&rst
ixpk= 465, nxpk= 21, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 290, 291,
&end
#
# 20 ASP HN 20 ASP HB- 3.50 (# 466:21 Unique 2.49, 2.58 A)
&rst
ixpk= 466, nxpk= 21, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 290, 291,
&end
#
# 8 GLN HN 20 ASP HB- 6.00 (# 467:21 Unique 1.92, 2.57 A)
&rst
ixpk= 467, nxpk= 21, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 290, 291,
&end
#
# 8 GLN HN 20 ASP HB+ 4.50 (# 468:21 Unique 1.92, 2.57 A)
&rst
ixpk= 468, nxpk= 21, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 290, 291,
&end
#
# 20 ASP HA 20 ASP HB- 3.50 (# 469:21 Unique 2.46, 2.75 A)
&rst
ixpk= 469, nxpk= 21, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 290, 291,
&end
#
# 0 AMB 21-2:472 0 AMB 21-1:472 6.00 (# 472:21 Double Ambig)
&rst
ixpk= 472, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 138, 139, 138, 139,
igr2= 290, 291, 290, 291,
&end
#
# 0 AMB 21-2:473 20 ASP HB- 4.50 (# 473:21 Single Ambig)
&rst
ixpk= 473, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 138, 139, 138, 139,
igr2= 290, 291,
&end
#
# 8 GLN HB+ 20 ASP HB+ 6.00 (# 474:21 Unique 2.53, 3.02 A)
&rst
ixpk= 474, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 99, 100,
igr2= 290, 291,
&end
#
# 8 GLN HB+ 20 ASP HB- 6.00 (# 475:21 Unique 2.53, 3.02 A)
&rst
ixpk= 475, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 99, 100,
igr2= 290, 291,
&end
#
# 8 GLN HB- 20 ASP HB+ 6.00 (# 476:21 Unique 2.53, 3.02 A)
&rst
ixpk= 476, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 99, 100,
igr2= 290, 291,
&end
#
# 8 GLN HB- 20 ASP HB- 6.00 (# 477:21 Unique 2.53, 3.02 A)
&rst
ixpk= 477, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 99, 100,
igr2= 290, 291,
&end
#
# 22 CYS HN 21 VAL HA 2.80 (# 478:21 Unique 2.33, 2.36 A)
&rst
ixpk= 478, nxpk= 21, iat= 314, 300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 VAL HN 21 VAL HA 4.50 (# 479:21 Unique 2.94, 2.94 A)
&rst
ixpk= 479, nxpk= 21, iat= 298, 300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HB 21 VAL HA 4.50 (# 480:21 Unique 2.57, 2.99 A)
&rst
ixpk= 480, nxpk= 21, iat= 302, 300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL MGY 21 VAL HA 3.50 (# 481:21 Unique 2.13, 3.13 A)
&rst
ixpk= 481, nxpk= 21, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL MGX 21 VAL HA 3.50 (# 482:21 Unique 2.13, 3.13 A)
&rst
ixpk= 482, nxpk= 21, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL HN 21 VAL HB 4.50 (# 483:21 Unique 2.71, 2.78 A)
&rst
ixpk= 483, nxpk= 21, iat= 298, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HA 21 VAL HB 4.50 (# 484:21 Unique 2.57, 2.99 A)
&rst
ixpk= 484, nxpk= 21, iat= 300, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ARG HB- 21 VAL HB 6.00 (# 485:21 Unique 4.83, 5.54 A)
&rst
ixpk= 485, nxpk= 21, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 372, 373,
&end
#
# 24 ILE HN 21 VAL HB 6.00 (# 486:21 Unique 2.03, 2.18 A)
&rst
ixpk= 486, nxpk= 21, iat= 332, 302, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 VAL HN 44 VAL MGY 3.50 (# 487:21 Unique 2.11, 3.50 A)
&rst
ixpk= 487, nxpk= 21, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 45 GLY HN 44 VAL MGY 4.50 (# 488:21 Unique 1.94, 3.98 A)
&rst
ixpk= 488, nxpk= 21, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 21 VAL HA 21 VAL MGY 3.50 (# 489:21 Unique 2.13, 3.13 A)
&rst
ixpk= 489, nxpk= 21, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 44 VAL HA 44 VAL MGY 3.50 (# 490:21 Unique 2.10, 3.39 A)
&rst
ixpk= 490, nxpk= 21, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 42 PRO HB+ 44 VAL MGY 6.00 (# 491:21 Unique 1.99, 4.43 A)
&rst
ixpk= 491, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 601, 602,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 21-2:492 44 VAL MGY 3.50 (# 492:21 Single Ambig)
&rst
ixpk= 492, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 601, 602, 636,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 22 CYS HN 21 VAL MGX 6.00 (# 493:21 Unique 1.94, 3.77 A)
&rst
ixpk= 493, nxpk= 21, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL HN 21 VAL MGX 4.50 (# 494:21 Unique 1.92, 3.91 A)
&rst
ixpk= 494, nxpk= 21, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 8 GLN HN 21 VAL MGX 6.00 (# 495:21 Unique 5.10, 6.90 A)
&rst
ixpk= 495, nxpk= 21, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 7 GLY HA+ 21 VAL MGX 4.50 (# 496:21 Unique 3.11, 5.63 A)
&rst
ixpk= 496, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 90, 91,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL HA 21 VAL MGX 3.50 (# 497:21 Unique 2.13, 3.13 A)
&rst
ixpk= 497, nxpk= 21, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 7 GLY HA- 21 VAL MGX 4.50 (# 498:21 Unique 3.11, 5.63 A)
&rst
ixpk= 498, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 90, 91,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 22 CYS HB- 21 VAL MGX 6.00 (# 499:21 Unique 3.04, 5.91 A)
&rst
ixpk= 499, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 318, 319,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL HB 21 VAL MGX 2.80 (# 500:21 Unique 2.24, 2.63 A)
&rst
ixpk= 500, nxpk= 21, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 26 ARG HB- 21 VAL MGX 4.50 (# 501:21 Unique 2.79, 5.28 A)
&rst
ixpk= 501, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 372, 373,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 22 CYS HN 22 CYS HA 2.80 (# 502:21 Unique 2.75, 2.76 A)
&rst
ixpk= 502, nxpk= 21, iat= 314, 316, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 GLY HN 22 CYS HA 4.50 (# 503:21 Unique 3.44, 3.48 A)
&rst
ixpk= 503, nxpk= 21, iat= 325, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 GLY HA+ 22 CYS HA 6.00 (# 504:21 Unique 4.63, 4.97 A)
&rst
ixpk= 504, nxpk= 21, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 327, 328,
&end
#
# 22 CYS HB+ 22 CYS HA 3.50 (# 505:21 Unique 2.39, 2.76 A)
&rst
ixpk= 505, nxpk= 21, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 318, 319,
&end
#
# 22 CYS HB- 22 CYS HA 4.50 (# 506:21 Unique 2.39, 2.76 A)
&rst
ixpk= 506, nxpk= 21, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 318, 319,
&end
#
# 0 AMB 21-2:507 22 CYS HA 6.00 (# 507:21 Single Ambig)
&rst
ixpk= 507, nxpk= 21, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 304, 305, 306, 308, 309, 310,1003,1004,1005,1007,
1008,1009,
&end
#
# 22 CYS HN 22 CYS HB+ 6.00 (# 508:21 Unique 2.26, 2.73 A)
&rst
ixpk= 508, nxpk= 21, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 318, 319,
&end
#
# 22 CYS HN 22 CYS HB- 6.00 (# 509:21 Unique 2.26, 2.73 A)
&rst
ixpk= 509, nxpk= 21, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 318, 319,
&end
#
# 22 CYS HA 22 CYS HB+ 3.50 (# 510:21 Unique 2.39, 2.76 A)
&rst
ixpk= 510, nxpk= 21, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 318, 319,
&end
#
# 22 CYS HA 22 CYS HB- 4.50 (# 511:21 Unique 2.39, 2.76 A)
&rst
ixpk= 511, nxpk= 21, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 318, 319,
&end
#
# 0 AMB 21-2:514 0 AMB 21-1:514 6.00 (# 514:21 Double Ambig)
&rst
ixpk= 514, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 304, 305, 306, 308, 309, 310,1003,1004,1005,1007,
1008,1009,
igr2= 318, 319, 318, 319,
&end
#
# 0 AMB 21-2:515 22 CYS HB- 4.50 (# 515:21 Single Ambig)
&rst
ixpk= 515, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 304, 305, 306, 308, 309, 310,1003,1004,1005,1007,
1008,1009,
igr2= 318, 319,
&end
#
# 0 AMB 21-2:516 0 AMB 21-1:516 4.50 (# 516:21 Double Ambig)
&rst
ixpk= 516, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 325, 529,
igr2= 327, 328, 572, 573,
&end
#
# 23 GLY HN 23 GLY HA- 3.50 (# 517:21 Unique 2.34, 2.63 A)
&rst
ixpk= 517, nxpk= 21, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 327, 328,
&end
#
# 24 ILE HN 23 GLY HA+ 6.00 (# 518:21 Unique 2.53, 3.15 A)
&rst
ixpk= 518, nxpk= 21, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 327, 328,
&end
#
# 24 ILE HN 23 GLY HA- 6.00 (# 519:21 Unique 2.53, 3.15 A)
&rst
ixpk= 519, nxpk= 21, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 327, 328,
&end
#
# 25 GLN HN 24 ILE HA 2.80 (# 522:21 Unique 2.22, 2.23 A)
&rst
ixpk= 522, nxpk= 21, iat= 351, 334, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 ILE HN 24 ILE HA 4.50 (# 523:21 Unique 2.78, 2.79 A)
&rst
ixpk= 523, nxpk= 21, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE HB 24 ILE HA 4.50 (# 524:21 Unique 2.78, 2.79 A)
&rst
ixpk= 524, nxpk= 21, iat= 336, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE HG1- 24 ILE HA 6.00 (# 525:21 Unique 2.44, 2.98 A)
&rst
ixpk= 525, nxpk= 21, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 342, 343,
&end
#
# 24 ILE HG1+ 24 ILE HA 4.50 (# 526:21 Unique 2.44, 2.98 A)
&rst
ixpk= 526, nxpk= 21, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 342, 343,
&end
#
# 24 ILE MD1 24 ILE HA 3.50 (# 527:21 Unique 2.02, 2.88 A)
&rst
ixpk= 527, nxpk= 21, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 345, 346, 347,
&end
#
# 21 VAL HN 24 ILE HB 6.00 (# 528:21 Unique 5.86, 5.90 A)
&rst
ixpk= 528, nxpk= 21, iat= 298, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ILE HN 24 ILE HB 4.50 (# 529:21 Unique 3.08, 3.18 A)
&rst
ixpk= 529, nxpk= 21, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE HA 24 ILE HB 4.50 (# 530:21 Unique 2.78, 2.79 A)
&rst
ixpk= 530, nxpk= 21, iat= 334, 336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE HG1- 24 ILE HB 3.50 (# 531:21 Unique 2.41, 2.46 A)
&rst
ixpk= 531, nxpk= 21, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 342, 343,
&end
#
# 24 ILE HG1+ 24 ILE HB 4.50 (# 532:21 Unique 2.41, 2.46 A)
&rst
ixpk= 532, nxpk= 21, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 342, 343,
&end
#
# 24 ILE MG2 24 ILE HB 2.80 (# 533:21 Unique 2.41, 2.63 A)
&rst
ixpk= 533, nxpk= 21, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 338, 339, 340,
&end
#
# 25 GLN HN 24 ILE MG2 3.50 (# 534:21 Unique 2.77, 3.74 A)
&rst
ixpk= 534, nxpk= 21, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 338, 339, 340,
&end
#
# 24 ILE HN 24 ILE MG2 6.00 (# 535:21 Unique 3.38, 4.22 A)
&rst
ixpk= 535, nxpk= 21, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 338, 339, 340,
&end
#
# 24 ILE HA 24 ILE MG2 3.50 (# 536:21 Unique 3.32, 3.72 A)
&rst
ixpk= 536, nxpk= 21, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 338, 339, 340,
&end
#
# 26 ARG HD+ 24 ILE MG2 6.00 (# 537:21 Unique 2.04, 3.50 A)
&rst
ixpk= 537, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 378, 379,
igr2= 338, 339, 340,
&end
#
# 26 ARG HD- 24 ILE MG2 6.00 (# 538:21 Unique 2.04, 3.50 A)
&rst
ixpk= 538, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 378, 379,
igr2= 338, 339, 340,
&end
#
# 24 ILE HB 24 ILE MG2 2.80 (# 539:21 Unique 2.41, 2.63 A)
&rst
ixpk= 539, nxpk= 21, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 338, 339, 340,
&end
#
# 25 GLN HN 24 ILE HG1- 6.00 (# 540:21 Unique 3.84, 4.04 A)
&rst
ixpk= 540, nxpk= 21, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 342, 343,
&end
#
# 25 GLN HN 24 ILE HG1+ 6.00 (# 541:21 Unique 3.84, 4.04 A)
&rst
ixpk= 541, nxpk= 21, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 342, 343,
&end
#
# 24 ILE HN 24 ILE HG1- 6.00 (# 542:21 Unique 4.50, 4.91 A)
&rst
ixpk= 542, nxpk= 21, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 342, 343,
&end
#
# 24 ILE HN 24 ILE HG1+ 6.00 (# 543:21 Unique 4.50, 4.91 A)
&rst
ixpk= 543, nxpk= 21, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 342, 343,
&end
#
# 24 ILE HA 24 ILE HG1- 4.50 (# 544:21 Unique 2.44, 2.98 A)
&rst
ixpk= 544, nxpk= 21, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 342, 343,
&end
#
# 24 ILE HA 24 ILE HG1+ 4.50 (# 545:21 Unique 2.44, 2.98 A)
&rst
ixpk= 545, nxpk= 21, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 342, 343,
&end
#
# 24 ILE HB 24 ILE HG1- 4.50 (# 546:21 Unique 2.41, 2.46 A)
&rst
ixpk= 546, nxpk= 21, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 342, 343,
&end
#
# 24 ILE HB 24 ILE HG1+ 6.00 (# 547:21 Unique 2.41, 2.46 A)
&rst
ixpk= 547, nxpk= 21, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 342, 343,
&end
#
# 0 AMB 21-2:550 0 AMB 21-1:550 2.80 (# 550:21 Double Ambig)
&rst
ixpk= 550, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 345, 346, 347, 338, 339, 340,
igr2= 342, 343, 342, 343,
&end
#
# 0 AMB 21-2:551 24 ILE HG1- 2.80 (# 551:21 Single Ambig)
&rst
ixpk= 551, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 345, 346, 347, 338, 339, 340,
igr2= 342, 343,
&end
#
# 24 ILE HA 24 ILE MD1 4.50 (# 552:21 Unique 2.02, 2.88 A)
&rst
ixpk= 552, nxpk= 21, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 345, 346, 347,
&end
#
# 24 ILE HN 24 ILE MD1 6.00 (# 553:21 Unique 4.74, 5.36 A)
&rst
ixpk= 553, nxpk= 21, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 345, 346, 347,
&end
#
# 24 ILE HB 24 ILE MD1 4.50 (# 554:21 Unique 3.64, 3.92 A)
&rst
ixpk= 554, nxpk= 21, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 345, 346, 347,
&end
#
# 24 ILE HG1- 24 ILE MD1 3.50 (# 555:21 Unique 2.26, 2.62 A)
&rst
ixpk= 555, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 342, 343,
igr2= 345, 346, 347,
&end
#
# 26 ARG HN 25 GLN HA 3.50 (# 556:21 Unique 2.14, 2.15 A)
&rst
ixpk= 556, nxpk= 21, iat= 368, 353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 21-2:557 25 GLN HA 4.50 (# 557:21 Single Ambig)
&rst
ixpk= 557, nxpk= 21, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 358, 359, 355, 356,
&end
#
# 25 GLN HG+ 25 GLN HA 6.00 (# 558:21 Unique 2.17, 2.57 A)
&rst
ixpk= 558, nxpk= 21, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 358, 359,
&end
#
# 26 ARG HN 25 GLN HB+ 6.00 (# 559:21 Unique 3.68, 4.24 A)
&rst
ixpk= 559, nxpk= 21, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 355, 356,
&end
#
# 26 ARG HN 25 GLN HB- 6.00 (# 560:21 Unique 3.68, 4.24 A)
&rst
ixpk= 560, nxpk= 21, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 355, 356,
&end
#
# 25 GLN HN 25 GLN HB+ 3.50 (# 561:21 Unique 2.08, 2.65 A)
&rst
ixpk= 561, nxpk= 21, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 355, 356,
&end
#
# 25 GLN HN 25 GLN HB- 4.50 (# 562:21 Unique 2.08, 2.65 A)
&rst
ixpk= 562, nxpk= 21, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 355, 356,
&end
#
# 0 AMB 21-2:563 0 AMB 21-1:563 4.50 (# 563:21 Double Ambig)
&rst
ixpk= 563, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 353,1104,
igr2= 355, 356,1154,1155,
&end
#
# 25 GLN HA 25 GLN HB- 4.50 (# 564:21 Unique 2.61, 2.83 A)
&rst
ixpk= 564, nxpk= 21, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 355, 356,
&end
#
# 26 ARG HN 25 GLN HG+ 6.00 (# 566:21 Unique 3.30, 3.92 A)
&rst
ixpk= 566, nxpk= 21, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 358, 359,
&end
#
# 47 TRP HN 0 AMB 21-1:567 4.50 (# 567:21 Single Ambig)
&rst
ixpk= 567, nxpk= 21, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 662, 663, 662, 663,
&end
#
# 0 AMB 21-2:568 0 AMB 21-1:568 6.00 (# 568:21 Double Ambig)
&rst
ixpk= 568, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 286, 351,
igr2= 358, 359, 358, 359,
&end
#
# 25 GLN HE2+ 25 GLN HG+ 3.50 (# 569:21 Unique 2.65, 3.52 A)
&rst
ixpk= 569, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 363, 364,
igr2= 358, 359,
&end
#
# 0 AMB 21-2:570 0 AMB 21-1:570 4.50 (# 570:21 Double Ambig)
&rst
ixpk= 570, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 667, 668, 667, 668,
igr2= 662, 663, 662, 663,
&end
#
# 0 AMB 21-2:571 0 AMB 21-1:571 3.50 (# 571:21 Double Ambig)
&rst
ixpk= 571, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 288, 657,
igr2= 358, 359, 662, 663, 662, 663,
&end
#
# 25 GLN HA 25 GLN HG+ 4.50 (# 572:21 Unique 2.17, 2.57 A)
&rst
ixpk= 572, nxpk= 21, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 358, 359,
&end
#
# 26 ARG HN 26 ARG HB+ 6.00 (# 573:21 Unique 2.42, 3.06 A)
&rst
ixpk= 573, nxpk= 21, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 372, 373,
&end
#
# 26 ARG HN 26 ARG HB- 4.50 (# 574:21 Unique 2.42, 3.06 A)
&rst
ixpk= 574, nxpk= 21, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 372, 373,
&end
#
# 27 ASP HN 26 ARG HB+ 4.50 (# 575:21 Unique 2.06, 2.87 A)
&rst
ixpk= 575, nxpk= 21, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 372, 373,
&end
#
# 27 ASP HN 26 ARG HB- 6.00 (# 576:21 Unique 2.06, 2.87 A)
&rst
ixpk= 576, nxpk= 21, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 372, 373,
&end
#
# 26 ARG HA 26 ARG HB+ 4.50 (# 577:21 Unique 2.47, 2.75 A)
&rst
ixpk= 577, nxpk= 21, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 372, 373,
&end
#
# 26 ARG HA 26 ARG HB- 4.50 (# 578:21 Unique 2.47, 2.75 A)
&rst
ixpk= 578, nxpk= 21, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 372, 373,
&end
#
# 26 ARG HD- 26 ARG HB+ 6.00 (# 579:21 Unique 2.35, 3.60 A)
&rst
ixpk= 579, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 378, 379,
igr2= 372, 373,
&end
#
# 26 ARG HD+ 26 ARG HB+ 6.00 (# 580:21 Unique 2.35, 3.60 A)
&rst
ixpk= 580, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 378, 379,
igr2= 372, 373,
&end
#
# 26 ARG HD- 26 ARG HB- 6.00 (# 581:21 Unique 2.35, 3.60 A)
&rst
ixpk= 581, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 378, 379,
igr2= 372, 373,
&end
#
# 26 ARG HD+ 26 ARG HB- 6.00 (# 582:21 Unique 2.35, 3.60 A)
&rst
ixpk= 582, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 378, 379,
igr2= 372, 373,
&end
#
# 21 VAL MGX 26 ARG HB- 6.00 (# 585:21 Unique 2.79, 5.28 A)
&rst
ixpk= 585, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 304, 305, 306, 308, 309, 310,
igr2= 372, 373,
&end
#
# 0 AMB 21-2:586 26 ARG HB- 4.50 (# 586:21 Single Ambig)
&rst
ixpk= 586, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 276, 277, 278, 280, 281, 282, 410, 411, 412, 414,
415, 416,
igr2= 372, 373,
&end
#
# 0 AMB 21-2:587 0 AMB 21-1:587 6.00 (# 587:21 Double Ambig)
&rst
ixpk= 587, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 276, 277, 278, 280, 281, 282, 410, 411, 412, 414,
415, 416,
igr2= 372, 373, 372, 373,
&end
#
# 21 VAL MGX 26 ARG HB+ 4.50 (# 588:21 Unique 2.79, 5.28 A)
&rst
ixpk= 588, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 304, 305, 306, 308, 309, 310,
igr2= 372, 373,
&end
#
# 26 ARG HN 0 AMB 21-1:589 4.50 (# 589:21 Single Ambig)
&rst
ixpk= 589, nxpk= 21, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 375, 376, 375, 376,
&end
#
# 27 ASP HN 0 AMB 21-1:590 6.00 (# 590:21 Single Ambig)
&rst
ixpk= 590, nxpk= 21, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 375, 376, 375, 376,
&end
#
# 26 ARG HA 0 AMB 21-1:591 4.50 (# 591:21 Single Ambig)
&rst
ixpk= 591, nxpk= 21, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 375, 376, 375, 376,
&end
#
# 0 AMB 21-2:592 0 AMB 21-1:592 4.50 (# 592:21 Double Ambig)
&rst
ixpk= 592, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 378, 379, 378, 379,
igr2= 375, 376, 375, 376,
&end
#
# 26 ARG HD- 0 AMB 21-1:593 6.00 (# 593:21 Single Ambig)
&rst
ixpk= 593, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 378, 379,
igr2= 375, 376, 375, 376,
&end
#
# 21 VAL HB 0 AMB 21-1:594 6.00 (# 594:21 Single Ambig)
&rst
ixpk= 594, nxpk= 21, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 375, 376, 375, 376,
&end
#
# 21 VAL MGX 0 AMB 21-1:595 4.50 (# 595:21 Single Ambig)
&rst
ixpk= 595, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 304, 305, 306, 308, 309, 310,
igr2= 375, 376, 375, 376,
&end
#
# 10 ARG HA 10 ARG HD+ 3.50 (# 596:21 Unique 2.38, 3.30 A)
&rst
ixpk= 596, nxpk= 21, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 141, 142,
&end
#
# 10 ARG HA 10 ARG HD- 4.50 (# 597:21 Unique 2.38, 3.30 A)
&rst
ixpk= 597, nxpk= 21, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 141, 142,
&end
#
# 0 AMB 21-2:600 0 AMB 21-1:600 4.50 (# 600:21 Double Ambig)
&rst
ixpk= 600, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 135, 136, 135, 136,
igr2= 141, 142, 141, 142,
&end
#
# 0 AMB 21-2:601 0 AMB 21-1:601 4.50 (# 601:21 Double Ambig)
&rst
ixpk= 601, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 135, 136, 135, 136,1324,1325,
igr2= 141, 142,1333,1334,1333,1334,
&end
#
# 0 AMB 21-2:602 10 ARG HD- 4.50 (# 602:21 Single Ambig)
&rst
ixpk= 602, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 138, 139, 138, 139,
igr2= 141, 142,
&end
#
# 0 AMB 21-2:603 0 AMB 21-1:603 3.50 (# 603:21 Double Ambig)
&rst
ixpk= 603, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 138, 139, 138, 139,
igr2= 141, 142, 141, 142,
&end
#
# 28 VAL HN 27 ASP HA 2.80 (# 604:21 Unique 2.14, 2.18 A)
&rst
ixpk= 604, nxpk= 21, iat= 404, 394, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 VAL HN 27 ASP HA 6.00 (# 605:21 Unique 3.42, 3.63 A)
&rst
ixpk= 605, nxpk= 21, iat= 270, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ASP HN 27 ASP HA 4.50 (# 606:21 Unique 2.88, 2.92 A)
&rst
ixpk= 606, nxpk= 21, iat= 392, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 ASP HB+ 27 ASP HA 2.80 (# 607:21 Unique 2.31, 2.56 A)
&rst
ixpk= 607, nxpk= 21, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 396, 397,
&end
#
# 0 AMB 21-2:608 27 ASP HA 4.50 (# 608:21 Single Ambig)
&rst
ixpk= 608, nxpk= 21, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 258, 259, 408,
&end
#
# 18 LYS HG- 27 ASP HA 6.00 (# 609:21 Unique 2.44, 3.18 A)
&rst
ixpk= 609, nxpk= 21, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 255, 256,
&end
#
# 0 AMB 21-2:610 27 ASP HA 4.50 (# 610:21 Single Ambig)
&rst
ixpk= 610, nxpk= 21, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 28 VAL HN 27 ASP HB+ 6.00 (# 611:21 Unique 2.91, 3.72 A)
&rst
ixpk= 611, nxpk= 21, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 396, 397,
&end
#
# 28 VAL HN 27 ASP HB- 6.00 (# 612:21 Unique 2.91, 3.72 A)
&rst
ixpk= 612, nxpk= 21, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 396, 397,
&end
#
# 27 ASP HN 27 ASP HB- 4.50 (# 613:21 Unique 2.30, 3.17 A)
&rst
ixpk= 613, nxpk= 21, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 396, 397,
&end
#
# 27 ASP HN 27 ASP HB+ 4.50 (# 614:21 Unique 2.30, 3.17 A)
&rst
ixpk= 614, nxpk= 21, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 396, 397,
&end
#
# 27 ASP HA 27 ASP HB- 4.50 (# 615:21 Unique 2.31, 2.56 A)
&rst
ixpk= 615, nxpk= 21, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 396, 397,
&end
#
# 27 ASP HA 27 ASP HB+ 4.50 (# 616:21 Unique 2.31, 2.56 A)
&rst
ixpk= 616, nxpk= 21, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 396, 397,
&end
#
# 18 LYS HD- 27 ASP HB+ 6.00 (# 617:21 Unique 4.61, 6.29 A)
&rst
ixpk= 617, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 258, 259,
igr2= 396, 397,
&end
#
# 18 LYS HD- 27 ASP HB- 6.00 (# 618:21 Unique 4.61, 6.29 A)
&rst
ixpk= 618, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 258, 259,
igr2= 396, 397,
&end
#
# 28 VAL HN 28 VAL HB 4.50 (# 619:21 Unique 2.84, 3.25 A)
&rst
ixpk= 619, nxpk= 21, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:620 28 VAL HB 6.00 (# 620:21 Single Ambig)
&rst
ixpk= 620, nxpk= 21, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 270, 238, 747,
&end
#
# 29 ASP HN 28 VAL HB 6.00 (# 621:21 Unique 3.82, 3.95 A)
&rst
ixpk= 621, nxpk= 21, iat= 420, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ASP HA 28 VAL HB 6.00 (# 622:21 Unique 4.39, 4.68 A)
&rst
ixpk= 622, nxpk= 21, iat= 394, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 VAL HA 28 VAL HB 6.00 (# 623:21 Unique 2.31, 2.58 A)
&rst
ixpk= 623, nxpk= 21, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:624 28 VAL HB 4.50 (# 624:21 Single Ambig)
&rst
ixpk= 624, nxpk= 21, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 242, 243, 244, 811, 812, 813,
&end
#
# 0 AMB 21-2:625 28 VAL HB 2.80 (# 625:21 Single Ambig)
&rst
ixpk= 625, nxpk= 21, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 20 ASP HN 19 VAL MGY 6.00 (# 626:21 Unique 2.84, 3.91 A)
&rst
ixpk= 626, nxpk= 21, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 27 ASP HN 0 AMB 21-1:627 6.00 (# 627:21 Single Ambig)
&rst
ixpk= 627, nxpk= 21, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 28 VAL HA 0 AMB 21-1:628 2.80 (# 628:21 Single Ambig)
&rst
ixpk= 628, nxpk= 21, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 29 ASP HN 29 ASP HB- 4.50 (# 629:21 Unique 2.10, 2.64 A)
&rst
ixpk= 629, nxpk= 21, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 424, 425,
&end
#
# 29 ASP HN 29 ASP HB+ 4.50 (# 630:21 Unique 2.10, 2.64 A)
&rst
ixpk= 630, nxpk= 21, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 424, 425,
&end
#
# 54 PHE HD 29 ASP HB- 6.00 (# 631:21 Unique 2.10, 4.54 A)
&rst
ixpk= 631, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 795, 803,
igr2= 424, 425,
&end
#
# 54 PHE HD 29 ASP HB+ 6.00 (# 632:21 Unique 2.10, 4.54 A)
&rst
ixpk= 632, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 795, 803,
igr2= 424, 425,
&end
#
# 54 PHE HA 29 ASP HB- 6.00 (# 633:21 Unique 2.00, 2.72 A)
&rst
ixpk= 633, nxpk= 21, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 424, 425,
&end
#
# 54 PHE HA 29 ASP HB+ 6.00 (# 634:21 Unique 2.00, 2.72 A)
&rst
ixpk= 634, nxpk= 21, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 424, 425,
&end
#
# 29 ASP HA 29 ASP HB- 4.50 (# 635:21 Unique 2.60, 2.84 A)
&rst
ixpk= 635, nxpk= 21, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 424, 425,
&end
#
# 29 ASP HA 29 ASP HB+ 4.50 (# 636:21 Unique 2.60, 2.84 A)
&rst
ixpk= 636, nxpk= 21, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 424, 425,
&end
#
# 28 VAL HA 29 ASP HB- 6.00 (# 637:21 Unique 4.11, 4.71 A)
&rst
ixpk= 637, nxpk= 21, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 424, 425,
&end
#
# 28 VAL HA 29 ASP HB+ 6.00 (# 638:21 Unique 4.11, 4.71 A)
&rst
ixpk= 638, nxpk= 21, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 424, 425,
&end
#
# 30 LEU MDY 30 LEU HA 3.50 (# 639:21 Unique 2.10, 4.04 A)
&rst
ixpk= 639, nxpk= 21, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 0 AMB 21-2:640 30 LEU HA 4.50 (# 640:21 Single Ambig)
&rst
ixpk= 640, nxpk= 21, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 55 ALA MB 30 LEU HA 4.50 (# 641:21 Unique 2.10, 3.08 A)
&rst
ixpk= 641, nxpk= 21, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 811, 812, 813,
&end
#
# 30 LEU HB+ 30 LEU HA 3.50 (# 642:21 Unique 2.28, 2.65 A)
&rst
ixpk= 642, nxpk= 21, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 436, 437,
&end
#
# 30 LEU HN 30 LEU HB+ 6.00 (# 643:21 Unique 2.86, 3.41 A)
&rst
ixpk= 643, nxpk= 21, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 436, 437,
&end
#
# 30 LEU HA 30 LEU HB+ 6.00 (# 646:21 Unique 2.28, 2.65 A)
&rst
ixpk= 646, nxpk= 21, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 436, 437,
&end
#
# 30 LEU HA 30 LEU HB- 6.00 (# 647:21 Unique 2.28, 2.65 A)
&rst
ixpk= 647, nxpk= 21, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 436, 437,
&end
#
# 35 SER HB- 30 LEU HB- 6.00 (# 648:21 Unique 2.05, 3.43 A)
&rst
ixpk= 648, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 511, 512,
igr2= 436, 437,
&end
#
# 35 SER HB- 30 LEU HB+ 6.00 (# 649:21 Unique 2.05, 3.43 A)
&rst
ixpk= 649, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 511, 512,
igr2= 436, 437,
&end
#
# 55 ALA MB 0 AMB 21-1:650 4.50 (# 650:21 Single Ambig)
&rst
ixpk= 650, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 811, 812, 813,
igr2= 469, 470, 436, 437,
&end
#
# 55 ALA MB 30 LEU HB+ 6.00 (# 651:21 Unique 3.50, 4.90 A)
&rst
ixpk= 651, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 811, 812, 813,
igr2= 436, 437,
&end
#
# 0 AMB 21-2:652 0 AMB 21-1:652 3.50 (# 652:21 Double Ambig)
&rst
ixpk= 652, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 490, 491, 492, 494, 495, 496, 441, 442, 443, 445,
446, 447,
igr2= 436, 437, 436, 437,
&end
#
# 0 AMB 21-2:653 30 LEU HB- 3.50 (# 653:21 Single Ambig)
&rst
ixpk= 653, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 490, 491, 492, 494, 495, 496, 441, 442, 443, 445,
446, 447,
igr2= 436, 437,
&end
#
# 30 LEU MDY 30 LEU HB+ 4.50 (# 654:21 Unique 2.04, 3.26 A)
&rst
ixpk= 654, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 441, 442, 443, 445, 446, 447,
igr2= 436, 437,
&end
#
# 30 LEU MDY 30 LEU HB- 4.50 (# 655:21 Unique 2.04, 3.26 A)
&rst
ixpk= 655, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 441, 442, 443, 445, 446, 447,
igr2= 436, 437,
&end
#
# 30 LEU MDY 30 LEU HG 3.50 (# 656:21 Unique 2.21, 2.63 A)
&rst
ixpk= 656, nxpk= 21, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 30 LEU HA 30 LEU HG 6.00 (# 657:21 Unique 3.19, 3.35 A)
&rst
ixpk= 657, nxpk= 21, iat= 434, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 GLN HA 30 LEU HG 6.00 (# 658:21 Unique 1.98, 2.23 A)
&rst
ixpk= 658, nxpk= 21, iat= 223, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HN 30 LEU HG 6.00 (# 659:21 Unique 2.15, 2.68 A)
&rst
ixpk= 659, nxpk= 21, iat= 238, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LEU HN 30 LEU HG 6.00 (# 660:21 Unique 2.32, 2.59 A)
&rst
ixpk= 660, nxpk= 21, iat= 432, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LEU HN 30 LEU MDX 6.00 (# 661:21 Unique 3.31, 4.59 A)
&rst
ixpk= 661, nxpk= 21, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 35 SER HN 30 LEU MDX 6.00 (# 662:21 Unique 3.15, 5.13 A)
&rst
ixpk= 662, nxpk= 21, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 30 LEU HA 30 LEU MDX 6.00 (# 664:21 Unique 2.10, 4.04 A)
&rst
ixpk= 664, nxpk= 21, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 35 SER HA 30 LEU MDX 3.50 (# 665:21 Unique 1.93, 3.99 A)
&rst
ixpk= 665, nxpk= 21, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 35 SER HB- 30 LEU MDX 4.50 (# 666:21 Unique 1.98, 4.39 A)
&rst
ixpk= 666, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 511, 512,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 0 AMB 21-2:667 30 LEU MDX 2.80 (# 667:21 Single Ambig)
&rst
ixpk= 667, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 436, 437, 439,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 0 AMB 21-2:668 30 LEU MDX 3.50 (# 668:21 Single Ambig)
&rst
ixpk= 668, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 242, 243, 244, 811, 812, 813,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 30 LEU HN 30 LEU MDY 6.00 (# 670:21 Unique 3.31, 4.59 A)
&rst
ixpk= 670, nxpk= 21, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 30 LEU HA 30 LEU MDY 2.80 (# 672:21 Unique 2.10, 4.04 A)
&rst
ixpk= 672, nxpk= 21, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 35 SER HA 30 LEU MDY 6.00 (# 673:21 Unique 1.93, 3.99 A)
&rst
ixpk= 673, nxpk= 21, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 0 AMB 21-2:674 30 LEU MDY 2.80 (# 674:21 Single Ambig)
&rst
ixpk= 674, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 436, 437, 439,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 0 AMB 21-2:675 30 LEU MDY 6.00 (# 675:21 Single Ambig)
&rst
ixpk= 675, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 612, 613, 700,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 0 AMB 21-2:678 0 AMB 21-1:678 6.00 (# 678:21 Double Ambig)
&rst
ixpk= 678, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 795, 803, 957,
igr2= 474, 475, 476, 478, 479, 480,1003,1004,1005,1007,
1008,1009,
&end
#
# 0 AMB 21-2:681 0 AMB 21-1:681 6.00 (# 681:21 Double Ambig)
&rst
ixpk= 681, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 819, 60,
igr2= 474, 475, 476, 478, 479, 480,1003,1004,1005,1007,
1008,1009,
&end
#
# 31 THR HN 31 THR HA 4.50 (# 682:21 Unique 2.80, 2.88 A)
&rst
ixpk= 682, nxpk= 21, iat= 451, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLY HN 31 THR HA 6.00 (# 683:21 Unique 3.43, 3.75 A)
&rst
ixpk= 683, nxpk= 21, iat= 500, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:684 31 THR HA 6.00 (# 684:21 Single Ambig)
&rst
ixpk= 684, nxpk= 21, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 209, 223,
&end
#
# 30 LEU HA 31 THR HA 6.00 (# 685:21 Unique 4.61, 4.65 A)
&rst
ixpk= 685, nxpk= 21, iat= 434, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 THR HB 31 THR HA 4.50 (# 686:21 Unique 2.39, 2.54 A)
&rst
ixpk= 686, nxpk= 21, iat= 455, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 ASN HB+ 31 THR HA 6.00 (# 687:21 Unique 2.72, 4.07 A)
&rst
ixpk= 687, nxpk= 21, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 211, 212,
&end
#
# 15 ASN HB- 31 THR HA 6.00 (# 688:21 Unique 2.72, 4.07 A)
&rst
ixpk= 688, nxpk= 21, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 211, 212,
&end
#
# 31 THR MG2 31 THR HA 3.50 (# 689:21 Unique 2.06, 2.99 A)
&rst
ixpk= 689, nxpk= 21, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 457, 458, 459,
&end
#
# 31 THR HN 31 THR HB 4.50 (# 690:21 Unique 3.46, 3.59 A)
&rst
ixpk= 690, nxpk= 21, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 PHE HD 31 THR HB 6.00 (# 691:21 Unique 4.25, 6.76 A)
&rst
ixpk= 691, nxpk= 21, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 795, 803,
&end
#
# 31 THR MG2 31 THR HB 3.50 (# 693:21 Unique 2.23, 2.64 A)
&rst
ixpk= 693, nxpk= 21, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 457, 458, 459,
&end
#
# 31 THR HN 31 THR MG2 4.50 (# 694:21 Unique 2.24, 3.45 A)
&rst
ixpk= 694, nxpk= 21, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 457, 458, 459,
&end
#
# 15 ASN HD2+ 31 THR MG2 6.00 (# 695:21 Unique 2.25, 4.49 A)
&rst
ixpk= 695, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 216, 217,
igr2= 457, 458, 459,
&end
#
# 54 PHE HE 31 THR MG2 6.00 (# 696:21 Unique 3.51, 7.27 A)
&rst
ixpk= 696, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 797, 801,
igr2= 457, 458, 459,
&end
#
# 15 ASN HD2- 31 THR MG2 6.00 (# 697:21 Unique 2.25, 4.49 A)
&rst
ixpk= 697, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 216, 217,
igr2= 457, 458, 459,
&end
#
# 31 THR HB 31 THR MG2 2.80 (# 699:21 Unique 2.23, 2.64 A)
&rst
ixpk= 699, nxpk= 21, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 457, 458, 459,
&end
#
# 31 THR HA 31 THR MG2 3.50 (# 700:21 Unique 2.06, 2.99 A)
&rst
ixpk= 700, nxpk= 21, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 457, 458, 459,
&end
#
# 15 ASN HB+ 31 THR MG2 6.00 (# 701:21 Unique 2.10, 3.48 A)
&rst
ixpk= 701, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 211, 212,
igr2= 457, 458, 459,
&end
#
# 31 THR HN 32 LEU HA 6.00 (# 702:21 Unique 4.99, 5.05 A)
&rst
ixpk= 702, nxpk= 21, iat= 451, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY HN 32 LEU HA 6.00 (# 703:21 Unique 4.75, 5.06 A)
&rst
ixpk= 703, nxpk= 21, iat= 500, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 VAL HN 32 LEU HA 6.00 (# 704:21 Unique 3.31, 3.35 A)
&rst
ixpk= 704, nxpk= 21, iat= 484, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 LEU HB- 32 LEU HA 2.80 (# 705:21 Unique 2.32, 2.68 A)
&rst
ixpk= 705, nxpk= 21, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 469, 470,
&end
#
# 32 LEU HB+ 32 LEU HA 2.80 (# 706:21 Unique 2.32, 2.68 A)
&rst
ixpk= 706, nxpk= 21, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 469, 470,
&end
#
# 32 LEU MDY 32 LEU HA 2.80 (# 707:21 Unique 2.20, 3.85 A)
&rst
ixpk= 707, nxpk= 21, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 31 THR HN 32 LEU HB+ 6.00 (# 708:21 Unique 4.74, 5.41 A)
&rst
ixpk= 708, nxpk= 21, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 469, 470,
&end
#
# 31 THR HN 0 AMB 21-1:709 6.00 (# 709:21 Single Ambig)
&rst
ixpk= 709, nxpk= 21, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 436, 437, 469, 470,
&end
#
# 33 VAL HN 32 LEU HB+ 6.00 (# 710:21 Unique 2.78, 3.80 A)
&rst
ixpk= 710, nxpk= 21, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 469, 470,
&end
#
# 33 VAL HN 32 LEU HB- 6.00 (# 711:21 Unique 2.78, 3.80 A)
&rst
ixpk= 711, nxpk= 21, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 469, 470,
&end
#
# 32 LEU HA 32 LEU HB+ 4.50 (# 712:21 Unique 2.32, 2.68 A)
&rst
ixpk= 712, nxpk= 21, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 469, 470,
&end
#
# 32 LEU HA 32 LEU HB- 3.50 (# 713:21 Unique 2.32, 2.68 A)
&rst
ixpk= 713, nxpk= 21, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 469, 470,
&end
#
# 32 LEU MDX 32 LEU HB+ 3.50 (# 716:21 Unique 2.24, 3.29 A)
&rst
ixpk= 716, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 474, 475, 476, 478, 479, 480,
igr2= 469, 470,
&end
#
# 33 VAL MGY 32 LEU HB+ 6.00 (# 717:21 Unique 2.88, 5.11 A)
&rst
ixpk= 717, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 490, 491, 492, 494, 495, 496,
igr2= 469, 470,
&end
#
# 32 LEU MDY 32 LEU HB- 2.80 (# 718:21 Unique 2.24, 3.29 A)
&rst
ixpk= 718, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 474, 475, 476, 478, 479, 480,
igr2= 469, 470,
&end
#
# 0 AMB 21-2:719 30 LEU HB- 4.50 (# 719:21 Single Ambig)
&rst
ixpk= 719, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 490, 491, 492, 494, 495, 496, 441, 442, 443, 445,
446, 447,
igr2= 436, 437,
&end
#
# 31 THR HN 32 LEU HG 4.50 (# 720:21 Unique 3.49, 3.63 A)
&rst
ixpk= 720, nxpk= 21, iat= 451, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 PHE HD 32 LEU HG 6.00 (# 721:21 Unique 2.60, 4.31 A)
&rst
ixpk= 721, nxpk= 21, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 795, 803,
&end
#
# 32 LEU HA 32 LEU HG 4.50 (# 722:21 Unique 3.37, 3.39 A)
&rst
ixpk= 722, nxpk= 21, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 LEU HB+ 32 LEU HG 6.00 (# 723:21 Unique 2.39, 2.72 A)
&rst
ixpk= 723, nxpk= 21, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 469, 470,
&end
#
# 32 LEU MDY 32 LEU HG 2.80 (# 724:21 Unique 2.23, 2.63 A)
&rst
ixpk= 724, nxpk= 21, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 32 LEU HA 32 LEU MDY 2.80 (# 725:21 Unique 2.20, 3.85 A)
&rst
ixpk= 725, nxpk= 21, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 474, 475, 476, 478, 479, 480,
&end
#
# 32 LEU HG 32 LEU MDY 3.50 (# 726:21 Unique 2.23, 2.63 A)
&rst
ixpk= 726, nxpk= 21, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 474, 475, 476, 478, 479, 480,
&end
#
# 0 AMB 21-2:727 0 AMB 21-1:727 3.50 (# 727:21 Double Ambig)
&rst
ixpk= 727, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 36, 469, 470,
igr2= 737, 738, 739, 741, 742, 743, 474, 475, 476, 478,
479, 480,
&end
#
# 0 AMB 21-2:728 0 AMB 21-1:728 4.50 (# 728:21 Double Ambig)
&rst
ixpk= 728, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 88, 451,
igr2= 737, 738, 739, 741, 742, 743, 474, 475, 476, 478,
479, 480,
&end
#
# 0 AMB 21-2:729 0 AMB 21-1:729 4.50 (# 729:21 Double Ambig)
&rst
ixpk= 729, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 691, 484,
igr2= 81, 82, 488,
&end
#
# 33 VAL HA 33 VAL HB 3.50 (# 730:21 Unique 2.57, 2.63 A)
&rst
ixpk= 730, nxpk= 21, iat= 486, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 21-2:731 0 AMB 21-1:731 2.80 (# 731:21 Double Ambig)
&rst
ixpk= 731, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 721, 722, 723, 725, 726, 727, 490, 491, 492, 494,
495, 496,
igr2= 81, 82, 488,
&end
#
# 33 VAL MGX 33 VAL HB 2.80 (# 732:21 Unique 2.22, 2.63 A)
&rst
ixpk= 732, nxpk= 21, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 34 GLY HN 33 VAL MGY 6.00 (# 734:21 Unique 1.91, 3.90 A)
&rst
ixpk= 734, nxpk= 21, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 33 VAL HN 33 VAL MGY 4.50 (# 735:21 Unique 1.93, 3.46 A)
&rst
ixpk= 735, nxpk= 21, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 0 AMB 21-2:736 33 VAL MGY 2.80 (# 736:21 Single Ambig)
&rst
ixpk= 736, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 434, 486,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 34 GLY HA- 33 VAL MGY 6.00 (# 738:21 Unique 3.97, 6.02 A)
&rst
ixpk= 738, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 502, 503,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 33 VAL HB 33 VAL MGY 2.80 (# 739:21 Unique 2.22, 2.63 A)
&rst
ixpk= 739, nxpk= 21, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 58 VAL HB 33 VAL MGY 4.50 (# 740:21 Unique 2.46, 5.43 A)
&rst
ixpk= 740, nxpk= 21, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 55 ALA MB 33 VAL MGY 6.00 (# 741:21 Unique 1.99, 4.13 A)
&rst
ixpk= 741, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 811, 812, 813,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 33 VAL HN 33 VAL MGX 3.50 (# 742:21 Unique 1.93, 3.46 A)
&rst
ixpk= 742, nxpk= 21, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 34 GLY HN 33 VAL MGX 4.50 (# 743:21 Unique 1.91, 3.90 A)
&rst
ixpk= 743, nxpk= 21, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 0 AMB 21-2:745 33 VAL MGX 2.80 (# 745:21 Single Ambig)
&rst
ixpk= 745, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 434, 486,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 43 ARG HD- 0 AMB 21-1:746 6.00 (# 746:21 Single Ambig)
&rst
ixpk= 746, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 618, 619,
igr2= 490, 491, 492, 494, 495, 496, 175, 176, 177,
&end
#
# 33 VAL HB 33 VAL MGX 2.80 (# 747:21 Unique 2.22, 2.63 A)
&rst
ixpk= 747, nxpk= 21, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 0 AMB 21-2:748 0 AMB 21-1:748 3.50 (# 748:21 Double Ambig)
&rst
ixpk= 748, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 811, 812, 813, 242, 243, 244,
igr2= 490, 491, 492, 494, 495, 496, 175, 176, 177,
&end
#
# 34 GLY HN 34 GLY HA+ 4.50 (# 749:21 Unique 2.38, 2.70 A)
&rst
ixpk= 749, nxpk= 21, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 502, 503,
&end
#
# 34 GLY HN 34 GLY HA- 3.50 (# 750:21 Unique 2.38, 2.70 A)
&rst
ixpk= 750, nxpk= 21, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 502, 503,
&end
#
# 36 CYS HN 34 GLY HA- 6.00 (# 752:21 Unique 3.12, 3.80 A)
&rst
ixpk= 752, nxpk= 21, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 502, 503,
&end
#
# 33 VAL HN 34 GLY HA- 6.00 (# 753:21 Unique 4.03, 4.39 A)
&rst
ixpk= 753, nxpk= 21, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 502, 503,
&end
#
# 35 SER HN 34 GLY HA- 3.50 (# 754:21 Unique 2.15, 3.17 A)
&rst
ixpk= 754, nxpk= 21, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 502, 503,
&end
#
# 35 SER HN 34 GLY HA+ 4.50 (# 755:21 Unique 2.15, 3.17 A)
&rst
ixpk= 755, nxpk= 21, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 502, 503,
&end
#
# 33 VAL MGX 34 GLY HA+ 6.00 (# 756:21 Unique 3.97, 6.02 A)
&rst
ixpk= 756, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 490, 491, 492, 494, 495, 496,
igr2= 502, 503,
&end
#
# 33 VAL MGX 34 GLY HA- 6.00 (# 759:21 Unique 3.97, 6.02 A)
&rst
ixpk= 759, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 490, 491, 492, 494, 495, 496,
igr2= 502, 503,
&end
#
# 35 SER HN 35 SER HA 4.50 (# 760:21 Unique 2.27, 2.37 A)
&rst
ixpk= 760, nxpk= 21, iat= 507, 509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 SER HB- 35 SER HA 2.80 (# 762:21 Unique 2.24, 2.51 A)
&rst
ixpk= 762, nxpk= 21, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 511, 512,
&end
#
# 0 AMB 21-2:763 35 SER HA 3.50 (# 763:21 Single Ambig)
&rst
ixpk= 763, nxpk= 21, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 436, 437, 436, 437,
&end
#
# 3 ILE HG1- 3 ILE HA 6.00 (# 764:21 Unique 2.34, 3.21 A)
&rst
ixpk= 764, nxpk= 21, iat= -1, 34, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 42, 43,
&end
#
# 35 SER HN 35 SER HB- 4.50 (# 765:21 Unique 2.09, 3.36 A)
&rst
ixpk= 765, nxpk= 21, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 511, 512,
&end
#
# 35 SER HN 35 SER HB+ 4.50 (# 766:21 Unique 2.09, 3.36 A)
&rst
ixpk= 766, nxpk= 21, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 511, 512,
&end
#
# 36 CYS HN 35 SER HB- 6.00 (# 767:21 Unique 3.22, 4.36 A)
&rst
ixpk= 767, nxpk= 21, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 511, 512,
&end
#
# 36 CYS HN 35 SER HB+ 6.00 (# 768:21 Unique 3.22, 4.36 A)
&rst
ixpk= 768, nxpk= 21, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 511, 512,
&end
#
# 35 SER HA 35 SER HB- 2.80 (# 771:21 Unique 2.24, 2.51 A)
&rst
ixpk= 771, nxpk= 21, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 511, 512,
&end
#
# 35 SER HA 35 SER HB+ 2.80 (# 772:21 Unique 2.24, 2.51 A)
&rst
ixpk= 772, nxpk= 21, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 511, 512,
&end
#
# 30 LEU HB+ 35 SER HB- 6.00 (# 773:21 Unique 2.05, 3.43 A)
&rst
ixpk= 773, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 436, 437,
igr2= 511, 512,
&end
#
# 30 LEU HB+ 35 SER HB+ 4.50 (# 774:21 Unique 2.05, 3.43 A)
&rst
ixpk= 774, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 436, 437,
igr2= 511, 512,
&end
#
# 12 ILE MG2 35 SER HB- 3.50 (# 775:21 Unique 2.23, 3.71 A)
&rst
ixpk= 775, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 175, 176, 177,
igr2= 511, 512,
&end
#
# 12 ILE MG2 35 SER HB+ 3.50 (# 776:21 Unique 2.23, 3.71 A)
&rst
ixpk= 776, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 175, 176, 177,
igr2= 511, 512,
&end
#
# 37 ASP HN 36 CYS HA 4.50 (# 777:21 Unique 2.14, 2.22 A)
&rst
ixpk= 777, nxpk= 21, iat= 529, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 PRO HA 36 CYS HA 4.50 (# 779:21 Unique 3.53, 4.08 A)
&rst
ixpk= 779, nxpk= 21, iat= 604, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 CYS HB- 36 CYS HA 4.50 (# 780:21 Unique 2.36, 2.64 A)
&rst
ixpk= 780, nxpk= 21, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 522, 523,
&end
#
# 36 CYS HB+ 36 CYS HA 4.50 (# 781:21 Unique 2.36, 2.64 A)
&rst
ixpk= 781, nxpk= 21, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 522, 523,
&end
#
# 37 ASP HN 36 CYS HB+ 6.00 (# 782:21 Unique 2.41, 3.59 A)
&rst
ixpk= 782, nxpk= 21, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 522, 523,
&end
#
# 37 ASP HN 36 CYS HB- 4.50 (# 783:21 Unique 2.41, 3.59 A)
&rst
ixpk= 783, nxpk= 21, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 522, 523,
&end
#
# 0 AMB 21-2:784 36 CYS HB- 4.50 (# 784:21 Single Ambig)
&rst
ixpk= 784, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 570, 577,
igr2= 522, 523,
&end
#
# 0 AMB 21-2:785 0 AMB 21-1:785 6.00 (# 785:21 Double Ambig)
&rst
ixpk= 785, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 570, 577,
igr2= 522, 523, 522, 523,
&end
#
# 36 CYS HN 36 CYS HB+ 4.50 (# 786:21 Unique 2.26, 3.36 A)
&rst
ixpk= 786, nxpk= 21, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 522, 523,
&end
#
# 36 CYS HN 36 CYS HB- 6.00 (# 787:21 Unique 2.26, 3.36 A)
&rst
ixpk= 787, nxpk= 21, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 522, 523,
&end
#
# 36 CYS HA 36 CYS HB+ 4.50 (# 789:21 Unique 2.36, 2.64 A)
&rst
ixpk= 789, nxpk= 21, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 522, 523,
&end
#
# 36 CYS HA 36 CYS HB- 4.50 (# 790:21 Unique 2.36, 2.64 A)
&rst
ixpk= 790, nxpk= 21, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 522, 523,
&end
#
# 40 GLY HA+ 36 CYS HB- 6.00 (# 792:21 Unique 2.04, 4.40 A)
&rst
ixpk= 792, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 572, 573,
igr2= 522, 523,
&end
#
# 40 GLY HA+ 36 CYS HB+ 6.00 (# 793:21 Unique 2.04, 4.40 A)
&rst
ixpk= 793, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 572, 573,
igr2= 522, 523,
&end
#
# 40 GLY HA- 36 CYS HB+ 6.00 (# 794:21 Unique 2.04, 4.40 A)
&rst
ixpk= 794, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 572, 573,
igr2= 522, 523,
&end
#
# 40 GLY HA- 36 CYS HB- 6.00 (# 795:21 Unique 2.04, 4.40 A)
&rst
ixpk= 795, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 572, 573,
igr2= 522, 523,
&end
#
# 38 GLU HN 37 ASP HA 4.50 (# 798:21 Unique 2.36, 2.43 A)
&rst
ixpk= 798, nxpk= 21, iat= 541, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ASP HN 37 ASP HA 4.50 (# 799:21 Unique 2.75, 2.82 A)
&rst
ixpk= 799, nxpk= 21, iat= 529, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ASP HB+ 37 ASP HA 3.50 (# 800:21 Unique 2.35, 2.77 A)
&rst
ixpk= 800, nxpk= 21, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 533, 534,
&end
#
# 37 ASP HB- 37 ASP HA 3.50 (# 801:21 Unique 2.35, 2.77 A)
&rst
ixpk= 801, nxpk= 21, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 533, 534,
&end
#
# 38 GLU HN 37 ASP HB+ 4.50 (# 802:21 Unique 1.94, 3.44 A)
&rst
ixpk= 802, nxpk= 21, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 533, 534,
&end
#
# 38 GLU HN 37 ASP HB- 4.50 (# 803:21 Unique 1.94, 3.44 A)
&rst
ixpk= 803, nxpk= 21, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 533, 534,
&end
#
# 37 ASP HN 37 ASP HB+ 6.00 (# 804:21 Unique 2.23, 2.71 A)
&rst
ixpk= 804, nxpk= 21, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 37 ASP HN 37 ASP HB- 4.50 (# 805:21 Unique 2.23, 2.71 A)
&rst
ixpk= 805, nxpk= 21, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 533, 534,
&end
#
# 37 ASP HA 37 ASP HB+ 3.50 (# 806:21 Unique 2.35, 2.77 A)
&rst
ixpk= 806, nxpk= 21, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 533, 534,
&end
#
# 0 AMB 21-2:807 0 AMB 21-1:807 2.80 (# 807:21 Double Ambig)
&rst
ixpk= 807, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 531, 288,
igr2= 533, 534, 290, 291,
&end
#
# 38 GLU HN 38 GLU HA 4.50 (# 810:21 Unique 2.78, 2.79 A)
&rst
ixpk= 810, nxpk= 21, iat= 541, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ASN HN 38 GLU HA 4.50 (# 811:21 Unique 3.29, 3.45 A)
&rst
ixpk= 811, nxpk= 21, iat= 556, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:813 38 GLU HA 2.80 (# 813:21 Single Ambig)
&rst
ixpk= 813, nxpk= 21, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 545, 546, 545, 546,
&end
#
# 38 GLU HN 38 GLU HB+ 6.00 (# 814:21 Unique 2.14, 2.95 A)
&rst
ixpk= 814, nxpk= 21, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 545, 546,
&end
#
# 38 GLU HN 38 GLU HB- 6.00 (# 815:21 Unique 2.14, 2.95 A)
&rst
ixpk= 815, nxpk= 21, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 545, 546,
&end
#
# 42 PRO HA 0 AMB 21-1:816 6.00 (# 816:21 Single Ambig)
&rst
ixpk= 816, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 581, 582, 581, 582,
&end
#
# 42 PRO HA 0 AMB 21-1:817 6.00 (# 817:21 Single Ambig)
&rst
ixpk= 817, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 598, 599, 581, 582,
&end
#
# 38 GLU HA 38 GLU HB+ 3.50 (# 818:21 Unique 2.37, 2.68 A)
&rst
ixpk= 818, nxpk= 21, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 545, 546,
&end
#
# 38 GLU HA 38 GLU HB- 2.80 (# 819:21 Unique 2.37, 2.68 A)
&rst
ixpk= 819, nxpk= 21, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 545, 546,
&end
#
# 0 AMB 21-2:820 0 AMB 21-1:820 2.80 (# 820:21 Double Ambig)
&rst
ixpk= 820, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 584, 585, 584, 585, 548, 549, 548, 549,
igr2= 581, 582, 581, 582, 545, 546, 545, 546,
&end
#
# 0 AMB 21-2:821 0 AMB 21-1:821 2.80 (# 821:21 Double Ambig)
&rst
ixpk= 821, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 584, 585, 584, 585, 548, 549, 548, 549,
igr2= 581, 582, 581, 582, 545, 546,
&end
#
# 38 GLU HN 0 AMB 21-1:822 6.00 (# 822:21 Single Ambig)
&rst
ixpk= 822, nxpk= 21, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 548, 549, 548, 549,
&end
#
# 38 GLU HA 0 AMB 21-1:823 4.50 (# 823:21 Single Ambig)
&rst
ixpk= 823, nxpk= 21, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 548, 549, 548, 549,
&end
#
# 39 ASN HB+ 39 ASN HA 3.50 (# 824:21 Unique 2.56, 2.84 A)
&rst
ixpk= 824, nxpk= 21, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 560, 561,
&end
#
# 39 ASN HB- 39 ASN HA 4.50 (# 825:21 Unique 2.56, 2.84 A)
&rst
ixpk= 825, nxpk= 21, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 560, 561,
&end
#
# 40 GLY HN 39 ASN HB+ 4.50 (# 826:21 Unique 3.27, 3.72 A)
&rst
ixpk= 826, nxpk= 21, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 560, 561,
&end
#
# 39 ASN HD2- 39 ASN HB+ 4.50 (# 828:21 Unique 2.19, 3.38 A)
&rst
ixpk= 828, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 565, 566,
igr2= 560, 561,
&end
#
# 39 ASN HD2+ 39 ASN HB+ 6.00 (# 829:21 Unique 2.19, 3.38 A)
&rst
ixpk= 829, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 565, 566,
igr2= 560, 561,
&end
#
# 39 ASN HD2+ 39 ASN HB- 4.50 (# 830:21 Unique 2.19, 3.38 A)
&rst
ixpk= 830, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 565, 566,
igr2= 560, 561,
&end
#
# 39 ASN HA 39 ASN HB+ 4.50 (# 831:21 Unique 2.56, 2.84 A)
&rst
ixpk= 831, nxpk= 21, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 560, 561,
&end
#
# 39 ASN HA 39 ASN HB- 4.50 (# 832:21 Unique 2.56, 2.84 A)
&rst
ixpk= 832, nxpk= 21, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 560, 561,
&end
#
# 75 PHE HA 75 PHE HB- 4.50 (# 833:21 Unique 2.36, 2.74 A)
&rst
ixpk= 833, nxpk= 21, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1106,1107,
&end
#
# 72 GLN HA 75 PHE HB- 6.00 (# 834:21 Unique 2.30, 3.44 A)
&rst
ixpk= 834, nxpk= 21, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1106,1107,
&end
#
# 0 AMB 21-2:835 0 AMB 21-1:835 6.00 (# 835:21 Double Ambig)
&rst
ixpk= 835, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 584, 585, 548, 549,
igr2= 560, 561, 560, 561,
&end
#
# 41 GLN HG- 39 ASN HB+ 6.00 (# 836:21 Unique 2.38, 4.03 A)
&rst
ixpk= 836, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 584, 585,
igr2= 560, 561,
&end
#
# 0 AMB 21-2:837 0 AMB 21-1:837 6.00 (# 837:21 Double Ambig)
&rst
ixpk= 837, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 581, 582, 581, 582,
igr2= 560, 561, 560, 561,
&end
#
# 0 AMB 21-2:838 39 ASN HB- 6.00 (# 838:21 Single Ambig)
&rst
ixpk= 838, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 581, 582, 581, 582,
igr2= 560, 561,
&end
#
# 41 GLN HG- 39 ASN HB- 6.00 (# 839:21 Unique 2.38, 4.03 A)
&rst
ixpk= 839, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 584, 585,
igr2= 560, 561,
&end
#
# 0 AMB 21-2:840 39 ASN HB- 6.00 (# 840:21 Single Ambig)
&rst
ixpk= 840, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 584, 585, 548, 549,
igr2= 560, 561,
&end
#
# 40 GLY HN 40 GLY HA+ 2.80 (# 841:21 Unique 2.35, 2.65 A)
&rst
ixpk= 841, nxpk= 21, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 572, 573,
&end
#
# 40 GLY HN 40 GLY HA- 2.80 (# 842:21 Unique 2.35, 2.65 A)
&rst
ixpk= 842, nxpk= 21, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 572, 573,
&end
#
# 36 CYS HB+ 40 GLY HA+ 6.00 (# 845:21 Unique 2.04, 4.40 A)
&rst
ixpk= 845, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 522, 523,
igr2= 572, 573,
&end
#
# 36 CYS HB+ 40 GLY HA- 6.00 (# 846:21 Unique 2.04, 4.40 A)
&rst
ixpk= 846, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 522, 523,
igr2= 572, 573,
&end
#
# 36 CYS HB- 40 GLY HA- 4.50 (# 847:21 Unique 2.04, 4.40 A)
&rst
ixpk= 847, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 522, 523,
igr2= 572, 573,
&end
#
# 36 CYS HB- 40 GLY HA+ 6.00 (# 848:21 Unique 2.04, 4.40 A)
&rst
ixpk= 848, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 522, 523,
igr2= 572, 573,
&end
#
# 50 VAL MGX 53 GLY HA- 6.00 (# 850:21 Unique 5.36, 8.80 A)
&rst
ixpk= 850, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 737, 738, 739, 741, 742, 743,
igr2= 782, 783,
&end
#
# 41 GLN HN 0 AMB 21-1:851 2.80 (# 851:21 Single Ambig)
&rst
ixpk= 851, nxpk= 21, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 581, 582, 581, 582,
&end
#
# 41 GLN HA 0 AMB 21-1:852 3.50 (# 852:21 Single Ambig)
&rst
ixpk= 852, nxpk= 21, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 581, 582, 581, 582,
&end
#
# 42 PRO HD- 0 AMB 21-1:853 4.50 (# 853:21 Single Ambig)
&rst
ixpk= 853, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 595, 596,
igr2= 581, 582, 581, 582,
&end
#
# 41 GLN HN 41 GLN HG+ 4.50 (# 854:21 Unique 2.40, 3.42 A)
&rst
ixpk= 854, nxpk= 21, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 584, 585,
&end
#
# 41 GLN HN 41 GLN HG- 4.50 (# 855:21 Unique 2.40, 3.42 A)
&rst
ixpk= 855, nxpk= 21, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 584, 585,
&end
#
# 41 GLN HE2+ 41 GLN HG- 4.50 (# 856:21 Unique 2.12, 3.27 A)
&rst
ixpk= 856, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 589, 590,
igr2= 584, 585,
&end
#
# 41 GLN HE2+ 41 GLN HG+ 6.00 (# 857:21 Unique 2.12, 3.27 A)
&rst
ixpk= 857, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 589, 590,
igr2= 584, 585,
&end
#
# 41 GLN HA 41 GLN HG+ 4.50 (# 858:21 Unique 2.20, 3.14 A)
&rst
ixpk= 858, nxpk= 21, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 584, 585,
&end
#
# 41 GLN HA 41 GLN HG- 4.50 (# 859:21 Unique 2.20, 3.14 A)
&rst
ixpk= 859, nxpk= 21, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 584, 585,
&end
#
# 42 PRO HD- 41 GLN HG- 6.00 (# 860:21 Unique 2.92, 4.26 A)
&rst
ixpk= 860, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 595, 596,
igr2= 584, 585,
&end
#
# 39 ASN HB+ 41 GLN HG+ 6.00 (# 861:21 Unique 2.38, 4.03 A)
&rst
ixpk= 861, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 560, 561,
igr2= 584, 585,
&end
#
# 39 ASN HB+ 41 GLN HG- 6.00 (# 862:21 Unique 2.38, 4.03 A)
&rst
ixpk= 862, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 560, 561,
igr2= 584, 585,
&end
#
# 43 ARG HN 42 PRO HB+ 6.00 (# 863:21 Unique 3.01, 3.54 A)
&rst
ixpk= 863, nxpk= 21, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 601, 602,
&end
#
# 43 ARG HN 42 PRO HB- 6.00 (# 864:21 Unique 3.01, 3.54 A)
&rst
ixpk= 864, nxpk= 21, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 601, 602,
&end
#
# 42 PRO HA 42 PRO HB+ 4.50 (# 865:21 Unique 2.30, 2.51 A)
&rst
ixpk= 865, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 601, 602,
&end
#
# 42 PRO HA 42 PRO HB- 4.50 (# 866:21 Unique 2.30, 2.51 A)
&rst
ixpk= 866, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 601, 602,
&end
#
# 0 AMB 21-2:867 0 AMB 21-1:867 4.50 (# 867:21 Double Ambig)
&rst
ixpk= 867, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 595, 596, 595, 596,
igr2= 584, 585, 601, 602,
&end
#
# 42 PRO HD+ 42 PRO HB- 6.00 (# 868:21 Unique 2.98, 3.70 A)
&rst
ixpk= 868, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 595, 596,
igr2= 601, 602,
&end
#
# 42 PRO HD- 42 PRO HB- 6.00 (# 869:21 Unique 2.98, 3.70 A)
&rst
ixpk= 869, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 595, 596,
igr2= 601, 602,
&end
#
# 42 PRO HD- 0 AMB 21-1:870 4.50 (# 870:21 Single Ambig)
&rst
ixpk= 870, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 595, 596,
igr2= 584, 585, 601, 602,
&end
#
# 12 ILE MD1 42 PRO HB+ 3.50 (# 873:21 Unique 3.12, 4.28 A)
&rst
ixpk= 873, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 182, 183, 184,
igr2= 601, 602,
&end
#
# 0 AMB 21-2:874 42 PRO HB- 3.50 (# 874:21 Single Ambig)
&rst
ixpk= 874, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
igr2= 601, 602,
&end
#
# 42 PRO HD- 42 PRO HG+ 4.50 (# 875:21 Unique 2.30, 2.58 A)
&rst
ixpk= 875, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 595, 596,
igr2= 598, 599,
&end
#
# 42 PRO HD- 42 PRO HG- 3.50 (# 876:21 Unique 2.30, 2.58 A)
&rst
ixpk= 876, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 595, 596,
igr2= 598, 599,
&end
#
# 42 PRO HD+ 42 PRO HG+ 2.80 (# 877:21 Unique 2.30, 2.58 A)
&rst
ixpk= 877, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 595, 596,
igr2= 598, 599,
&end
#
# 42 PRO HD+ 42 PRO HG- 2.80 (# 878:21 Unique 2.30, 2.58 A)
&rst
ixpk= 878, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 595, 596,
igr2= 598, 599,
&end
#
# 41 GLN HA 42 PRO HG+ 6.00 (# 879:21 Unique 4.41, 4.52 A)
&rst
ixpk= 879, nxpk= 21, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 598, 599,
&end
#
# 41 GLN HA 42 PRO HG- 6.00 (# 880:21 Unique 4.41, 4.52 A)
&rst
ixpk= 880, nxpk= 21, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 598, 599,
&end
#
# 42 PRO HA 42 PRO HG+ 6.00 (# 881:21 Unique 3.85, 3.94 A)
&rst
ixpk= 881, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 598, 599,
&end
#
# 42 PRO HA 42 PRO HG- 6.00 (# 882:21 Unique 3.85, 3.94 A)
&rst
ixpk= 882, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 598, 599,
&end
#
# 42 PRO HB- 42 PRO HG+ 2.80 (# 883:21 Unique 2.32, 2.58 A)
&rst
ixpk= 883, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 601, 602,
igr2= 598, 599,
&end
#
# 42 PRO HB- 42 PRO HG- 2.80 (# 884:21 Unique 2.32, 2.58 A)
&rst
ixpk= 884, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 601, 602,
igr2= 598, 599,
&end
#
# 42 PRO HA 42 PRO HD+ 6.00 (# 885:21 Unique 3.60, 3.85 A)
&rst
ixpk= 885, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 595, 596,
&end
#
# 42 PRO HA 42 PRO HD- 6.00 (# 886:21 Unique 3.60, 3.85 A)
&rst
ixpk= 886, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 595, 596,
&end
#
# 41 GLN HA 42 PRO HD- 2.80 (# 887:21 Unique 2.27, 2.38 A)
&rst
ixpk= 887, nxpk= 21, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 595, 596,
&end
#
# 41 GLN HA 42 PRO HD+ 2.80 (# 888:21 Unique 2.27, 2.38 A)
&rst
ixpk= 888, nxpk= 21, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 595, 596,
&end
#
# 0 AMB 21-2:891 0 AMB 21-1:891 4.50 (# 891:21 Double Ambig)
&rst
ixpk= 891, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 584, 585, 601, 602,
igr2= 595, 596, 595, 596,
&end
#
# 0 AMB 21-2:892 0 AMB 21-1:892 2.80 (# 892:21 Double Ambig)
&rst
ixpk= 892, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 581, 582, 581, 582,
igr2= 595, 596, 595, 596,
&end
#
# 42 PRO HB- 42 PRO HD+ 6.00 (# 893:21 Unique 2.98, 3.70 A)
&rst
ixpk= 893, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 601, 602,
igr2= 595, 596,
&end
#
# 0 AMB 21-2:894 42 PRO HD- 4.50 (# 894:21 Single Ambig)
&rst
ixpk= 894, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 584, 585, 601, 602,
igr2= 595, 596,
&end
#
# 0 AMB 21-2:895 42 PRO HD- 2.80 (# 895:21 Single Ambig)
&rst
ixpk= 895, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 581, 582, 581, 582,
igr2= 595, 596,
&end
#
# 42 PRO HB- 42 PRO HD- 4.50 (# 896:21 Unique 2.98, 3.70 A)
&rst
ixpk= 896, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 601, 602,
igr2= 595, 596,
&end
#
# 44 VAL HN 43 ARG HA 6.00 (# 897:21 Unique 3.27, 3.29 A)
&rst
ixpk= 897, nxpk= 21, iat= 632, 610, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 ARG HN 43 ARG HB+ 6.00 (# 898:21 Unique 2.26, 3.11 A)
&rst
ixpk= 898, nxpk= 21, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 612, 613,
&end
#
# 43 ARG HN 43 ARG HB- 6.00 (# 899:21 Unique 2.26, 3.11 A)
&rst
ixpk= 899, nxpk= 21, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 612, 613,
&end
#
# 24 ILE HA 25 GLN HB+ 6.00 (# 900:21 Unique 4.29, 4.84 A)
&rst
ixpk= 900, nxpk= 21, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 355, 356,
&end
#
# 43 ARG HA 43 ARG HB- 6.00 (# 901:21 Unique 2.33, 2.71 A)
&rst
ixpk= 901, nxpk= 21, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 612, 613,
&end
#
# 43 ARG HD+ 43 ARG HB- 6.00 (# 902:21 Unique 1.96, 3.01 A)
&rst
ixpk= 902, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 618, 619,
igr2= 612, 613,
&end
#
# 43 ARG HD+ 43 ARG HB+ 6.00 (# 903:21 Unique 1.96, 3.01 A)
&rst
ixpk= 903, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 618, 619,
igr2= 612, 613,
&end
#
# 43 ARG HD- 43 ARG HB- 6.00 (# 904:21 Unique 1.96, 3.01 A)
&rst
ixpk= 904, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 618, 619,
igr2= 612, 613,
&end
#
# 43 ARG HD- 43 ARG HB+ 6.00 (# 905:21 Unique 1.96, 3.01 A)
&rst
ixpk= 905, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 618, 619,
igr2= 612, 613,
&end
#
# 9 ILE MD1 43 ARG HB+ 4.50 (# 907:21 Unique 1.98, 2.89 A)
&rst
ixpk= 907, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 125, 126, 127,
igr2= 612, 613,
&end
#
# 9 ILE MD1 43 ARG HB- 6.00 (# 908:21 Unique 1.98, 2.89 A)
&rst
ixpk= 908, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 125, 126, 127,
igr2= 612, 613,
&end
#
# 43 ARG HN 43 ARG HG- 6.00 (# 909:21 Unique 1.96, 2.75 A)
&rst
ixpk= 909, nxpk= 21, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 615, 616,
&end
#
# 43 ARG HN 43 ARG HG+ 6.00 (# 910:21 Unique 1.96, 2.75 A)
&rst
ixpk= 910, nxpk= 21, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 615, 616,
&end
#
# 0 AMB 21-2:911 0 AMB 21-1:911 6.00 (# 911:21 Double Ambig)
&rst
ixpk= 911, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 610, 509,
igr2= 615, 616, 615, 616,
&end
#
# 0 AMB 21-2:912 43 ARG HG- 6.00 (# 912:21 Single Ambig)
&rst
ixpk= 912, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 610, 509,
igr2= 615, 616,
&end
#
# 43 ARG HD+ 43 ARG HG- 6.00 (# 913:21 Unique 2.22, 2.67 A)
&rst
ixpk= 913, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 618, 619,
igr2= 615, 616,
&end
#
# 43 ARG HD+ 43 ARG HG+ 6.00 (# 914:21 Unique 2.22, 2.67 A)
&rst
ixpk= 914, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 618, 619,
igr2= 615, 616,
&end
#
# 43 ARG HD- 43 ARG HG- 6.00 (# 915:21 Unique 2.22, 2.67 A)
&rst
ixpk= 915, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 618, 619,
igr2= 615, 616,
&end
#
# 43 ARG HB- 43 ARG HG+ 2.80 (# 917:21 Unique 2.21, 2.70 A)
&rst
ixpk= 917, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 612, 613,
igr2= 615, 616,
&end
#
# 43 ARG HE 43 ARG HD+ 6.00 (# 919:21 Unique 2.27, 2.66 A)
&rst
ixpk= 919, nxpk= 21, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 618, 619,
&end
#
# 43 ARG HE 43 ARG HD- 4.50 (# 921:21 Unique 2.27, 2.66 A)
&rst
ixpk= 921, nxpk= 21, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 618, 619,
&end
#
# 35 SER HA 43 ARG HD+ 6.00 (# 922:21 Unique 1.99, 3.47 A)
&rst
ixpk= 922, nxpk= 21, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 618, 619,
&end
#
# 35 SER HA 43 ARG HD- 6.00 (# 923:21 Unique 1.99, 3.47 A)
&rst
ixpk= 923, nxpk= 21, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 618, 619,
&end
#
# 43 ARG HB+ 43 ARG HD- 6.00 (# 926:21 Unique 1.96, 3.01 A)
&rst
ixpk= 926, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 612, 613,
igr2= 618, 619,
&end
#
# 43 ARG HB+ 43 ARG HD+ 4.50 (# 927:21 Unique 1.96, 3.01 A)
&rst
ixpk= 927, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 612, 613,
igr2= 618, 619,
&end
#
# 43 ARG HG+ 43 ARG HD+ 6.00 (# 928:21 Unique 2.22, 2.67 A)
&rst
ixpk= 928, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 615, 616,
igr2= 618, 619,
&end
#
# 43 ARG HG+ 43 ARG HD- 6.00 (# 929:21 Unique 2.22, 2.67 A)
&rst
ixpk= 929, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 615, 616,
igr2= 618, 619,
&end
#
# 0 AMB 21-2:930 43 ARG HD- 4.50 (# 930:21 Single Ambig)
&rst
ixpk= 930, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 612, 613, 851, 852, 853, 855, 856, 857,
igr2= 618, 619,
&end
#
# 0 AMB 21-2:931 0 AMB 21-1:931 4.50 (# 931:21 Double Ambig)
&rst
ixpk= 931, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 612, 613, 851, 852, 853, 855, 856, 857,
igr2= 618, 619, 618, 619,
&end
#
# 9 ILE MD1 43 ARG HD- 4.50 (# 932:21 Unique 2.02, 3.57 A)
&rst
ixpk= 932, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 125, 126, 127,
igr2= 618, 619,
&end
#
# 9 ILE MD1 43 ARG HD+ 4.50 (# 933:21 Unique 2.02, 3.57 A)
&rst
ixpk= 933, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 125, 126, 127,
igr2= 618, 619,
&end
#
# 58 VAL MGX 43 ARG HD- 4.50 (# 934:21 Unique 1.99, 4.43 A)
&rst
ixpk= 934, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 851, 852, 853, 855, 856, 857,
igr2= 618, 619,
&end
#
# 58 VAL MGX 43 ARG HD+ 4.50 (# 935:21 Unique 1.99, 4.43 A)
&rst
ixpk= 935, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 851, 852, 853, 855, 856, 857,
igr2= 618, 619,
&end
#
# 9 ILE HN 44 VAL HA 6.00 (# 936:21 Unique 3.92, 4.26 A)
&rst
ixpk= 936, nxpk= 21, iat= 112, 634, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 GLY HN 44 VAL HA 3.50 (# 937:21 Unique 3.49, 3.51 A)
&rst
ixpk= 937, nxpk= 21, iat= 648, 634, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 GLN HN 44 VAL HA 6.00 (# 938:21 Unique 4.53, 4.66 A)
&rst
ixpk= 938, nxpk= 21, iat= 655, 634, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 VAL HN 44 VAL HA 4.50 (# 939:21 Unique 2.69, 2.72 A)
&rst
ixpk= 939, nxpk= 21, iat= 632, 634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLY HA+ 44 VAL HA 6.00 (# 940:21 Unique 4.60, 4.98 A)
&rst
ixpk= 940, nxpk= 21, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 650, 651,
&end
#
# 45 GLY HA- 44 VAL HA 6.00 (# 941:21 Unique 4.60, 4.98 A)
&rst
ixpk= 941, nxpk= 21, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 650, 651,
&end
#
# 9 ILE HB 44 VAL HA 4.50 (# 942:21 Unique 2.44, 2.93 A)
&rst
ixpk= 942, nxpk= 21, iat= 116, 634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 VAL HB 44 VAL HA 4.50 (# 943:21 Unique 2.47, 2.58 A)
&rst
ixpk= 943, nxpk= 21, iat= 636, 634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ILE HG1- 44 VAL HA 6.00 (# 944:21 Unique 3.37, 4.07 A)
&rst
ixpk= 944, nxpk= 21, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 179, 180,
&end
#
# 0 AMB 21-2:945 44 VAL HA 3.50 (# 945:21 Single Ambig)
&rst
ixpk= 945, nxpk= 21, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
&end
#
# 9 ILE MG2 44 VAL HA 4.50 (# 946:21 Unique 3.38, 4.39 A)
&rst
ixpk= 946, nxpk= 21, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 118, 119, 120,
&end
#
# 44 VAL HN 44 VAL HB 3.50 (# 947:21 Unique 2.23, 2.96 A)
&rst
ixpk= 947, nxpk= 21, iat= 632, 636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 GLY HN 44 VAL HB 6.00 (# 948:21 Unique 2.69, 3.68 A)
&rst
ixpk= 948, nxpk= 21, iat= 648, 636, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 VAL HA 44 VAL HB 4.50 (# 949:21 Unique 2.47, 2.58 A)
&rst
ixpk= 949, nxpk= 21, iat= 634, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:950 44 VAL HB 2.80 (# 950:21 Single Ambig)
&rst
ixpk= 950, nxpk= 21, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
&end
#
# 9 ILE MG2 44 VAL HB 6.00 (# 951:21 Unique 4.99, 6.55 A)
&rst
ixpk= 951, nxpk= 21, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 118, 119, 120,
&end
#
# 45 GLY HN 45 GLY HA+ 3.50 (# 952:21 Unique 2.33, 2.63 A)
&rst
ixpk= 952, nxpk= 21, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 650, 651,
&end
#
# 45 GLY HN 45 GLY HA- 3.50 (# 953:21 Unique 2.33, 2.63 A)
&rst
ixpk= 953, nxpk= 21, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 650, 651,
&end
#
# 46 GLN HN 45 GLY HA+ 6.00 (# 954:21 Unique 2.81, 3.20 A)
&rst
ixpk= 954, nxpk= 21, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 650, 651,
&end
#
# 8 GLN HE2+ 45 GLY HA+ 6.00 (# 955:21 Unique 2.27, 3.93 A)
&rst
ixpk= 955, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 107, 108,
igr2= 650, 651,
&end
#
# 8 GLN HE2+ 45 GLY HA- 6.00 (# 956:21 Unique 2.27, 3.93 A)
&rst
ixpk= 956, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 107, 108,
igr2= 650, 651,
&end
#
# 46 GLN HN 45 GLY HA- 6.00 (# 957:21 Unique 2.81, 3.20 A)
&rst
ixpk= 957, nxpk= 21, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 650, 651,
&end
#
# 8 GLN HE2- 45 GLY HA- 6.00 (# 958:21 Unique 2.27, 3.93 A)
&rst
ixpk= 958, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 107, 108,
igr2= 650, 651,
&end
#
# 8 GLN HE2- 45 GLY HA+ 6.00 (# 959:21 Unique 2.27, 3.93 A)
&rst
ixpk= 959, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 107, 108,
igr2= 650, 651,
&end
#
# 44 VAL HA 45 GLY HA- 6.00 (# 962:21 Unique 4.60, 4.98 A)
&rst
ixpk= 962, nxpk= 21, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 650, 651,
&end
#
# 44 VAL HA 45 GLY HA+ 6.00 (# 963:21 Unique 4.60, 4.98 A)
&rst
ixpk= 963, nxpk= 21, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 650, 651,
&end
#
# 8 GLN HG+ 45 GLY HA- 6.00 (# 964:21 Unique 3.88, 4.79 A)
&rst
ixpk= 964, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 103,
igr2= 650, 651,
&end
#
# 0 AMB 21-2:965 0 AMB 21-1:965 6.00 (# 965:21 Double Ambig)
&rst
ixpk= 965, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
igr2= 650, 651, 650, 651,
&end
#
# 0 AMB 21-2:966 45 GLY HA- 6.00 (# 966:21 Single Ambig)
&rst
ixpk= 966, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
igr2= 650, 651,
&end
#
# 8 GLN HG- 45 GLY HA- 6.00 (# 967:21 Unique 3.88, 4.79 A)
&rst
ixpk= 967, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 103,
igr2= 650, 651,
&end
#
# 8 GLN HG+ 45 GLY HA+ 6.00 (# 968:21 Unique 3.88, 4.79 A)
&rst
ixpk= 968, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 103,
igr2= 650, 651,
&end
#
# 8 GLN HG- 45 GLY HA+ 6.00 (# 969:21 Unique 3.88, 4.79 A)
&rst
ixpk= 969, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 103,
igr2= 650, 651,
&end
#
# 47 TRP HN 46 GLN HB+ 4.50 (# 970:21 Unique 2.70, 3.54 A)
&rst
ixpk= 970, nxpk= 21, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 659, 660,
&end
#
# 47 TRP HN 46 GLN HB- 6.00 (# 971:21 Unique 2.70, 3.54 A)
&rst
ixpk= 971, nxpk= 21, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 659, 660,
&end
#
# 46 GLN HN 46 GLN HB- 3.50 (# 972:21 Unique 2.09, 2.81 A)
&rst
ixpk= 972, nxpk= 21, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 659, 660,
&end
#
# 46 GLN HN 46 GLN HB+ 6.00 (# 973:21 Unique 2.09, 2.81 A)
&rst
ixpk= 973, nxpk= 21, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 659, 660,
&end
#
# 46 GLN HA 46 GLN HB+ 4.50 (# 974:21 Unique 2.62, 2.83 A)
&rst
ixpk= 974, nxpk= 21, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 659, 660,
&end
#
# 46 GLN HA 46 GLN HB- 4.50 (# 975:21 Unique 2.62, 2.83 A)
&rst
ixpk= 975, nxpk= 21, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 659, 660,
&end
#
# 0 AMB 21-2:976 0 AMB 21-1:976 4.50 (# 976:21 Double Ambig)
&rst
ixpk= 976, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 851, 852, 853, 855, 856, 857, 612, 613,
igr2= 659, 660, 659, 660,
&end
#
# 0 AMB 21-2:977 46 GLN HB- 6.00 (# 977:21 Single Ambig)
&rst
ixpk= 977, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 851, 852, 853, 855, 856, 857, 612, 613,
igr2= 659, 660,
&end
#
# 9 ILE MD1 46 GLN HB- 4.50 (# 978:21 Unique 3.18, 4.42 A)
&rst
ixpk= 978, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 125, 126, 127,
igr2= 659, 660,
&end
#
# 9 ILE MD1 46 GLN HB+ 6.00 (# 979:21 Unique 3.18, 4.42 A)
&rst
ixpk= 979, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 125, 126, 127,
igr2= 659, 660,
&end
#
# 7 GLY HN 47 TRP HA 6.00 (# 980:21 Unique 4.42, 4.69 A)
&rst
ixpk= 980, nxpk= 21, iat= 88, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 VAL HN 47 TRP HA 2.80 (# 981:21 Unique 2.27, 2.41 A)
&rst
ixpk= 981, nxpk= 21, iat= 696, 674, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 21-2:982 47 TRP HA 4.50 (# 982:21 Single Ambig)
&rst
ixpk= 982, nxpk= 21, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 112, 672,
&end
#
# 47 TRP HD1 47 TRP HA 6.00 (# 983:21 Unique 3.01, 3.07 A)
&rst
ixpk= 983, nxpk= 21, iat= 680, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HE3 47 TRP HA 4.50 (# 984:21 Unique 4.40, 4.45 A)
&rst
ixpk= 984, nxpk= 21, iat= 691, 674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 GLN HN 47 TRP HA 6.00 (# 985:21 Unique 4.83, 4.98 A)
&rst
ixpk= 985, nxpk= 21, iat= 95, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HB+ 47 TRP HA 4.50 (# 986:21 Unique 2.55, 2.79 A)
&rst
ixpk= 986, nxpk= 21, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 676, 677,
&end
#
# 47 TRP HB- 47 TRP HA 4.50 (# 987:21 Unique 2.55, 2.79 A)
&rst
ixpk= 987, nxpk= 21, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 676, 677,
&end
#
# 0 AMB 21-2:988 47 TRP HA 4.50 (# 988:21 Single Ambig)
&rst
ixpk= 988, nxpk= 21, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 702, 703, 704, 706, 707, 708, 276, 277, 278, 280,
281, 282,
&end
#
# 48 VAL MGY 47 TRP HA 6.00 (# 989:21 Unique 3.36, 5.56 A)
&rst
ixpk= 989, nxpk= 21, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 48 VAL HN 47 TRP HB+ 6.00 (# 990:21 Unique 2.17, 3.09 A)
&rst
ixpk= 990, nxpk= 21, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 48 VAL HN 47 TRP HB- 6.00 (# 991:21 Unique 2.17, 3.09 A)
&rst
ixpk= 991, nxpk= 21, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 47 TRP HN 47 TRP HB- 6.00 (# 992:21 Unique 2.36, 3.00 A)
&rst
ixpk= 992, nxpk= 21, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 47 TRP HN 47 TRP HB+ 4.50 (# 993:21 Unique 2.36, 3.00 A)
&rst
ixpk= 993, nxpk= 21, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 47 TRP HD1 47 TRP HB+ 6.00 (# 994:21 Unique 3.09, 3.50 A)
&rst
ixpk= 994, nxpk= 21, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 47 TRP HE3 47 TRP HB+ 6.00 (# 995:21 Unique 2.42, 3.04 A)
&rst
ixpk= 995, nxpk= 21, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 47 TRP HE3 47 TRP HB- 4.50 (# 996:21 Unique 2.42, 3.04 A)
&rst
ixpk= 996, nxpk= 21, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 47 TRP HD1 47 TRP HB- 6.00 (# 997:21 Unique 3.09, 3.50 A)
&rst
ixpk= 997, nxpk= 21, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 47 TRP HA 47 TRP HB+ 4.50 (# 998:21 Unique 2.55, 2.79 A)
&rst
ixpk= 998, nxpk= 21, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 47 TRP HA 47 TRP HB- 4.50 (# 999:21 Unique 2.55, 2.79 A)
&rst
ixpk= 999, nxpk= 21, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 59 ILE HG1- 47 TRP HB- 6.00 (# 1002:21 Unique 2.28, 3.27 A)
&rst
ixpk= 1002, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 871, 872,
igr2= 676, 677,
&end
#
# 59 ILE HG1- 47 TRP HB+ 4.50 (# 1003:21 Unique 2.28, 3.27 A)
&rst
ixpk= 1003, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 871, 872,
igr2= 676, 677,
&end
#
# 59 ILE HG1+ 47 TRP HB+ 6.00 (# 1004:21 Unique 2.28, 3.27 A)
&rst
ixpk= 1004, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 871, 872,
igr2= 676, 677,
&end
#
# 59 ILE HG1+ 47 TRP HB- 6.00 (# 1005:21 Unique 2.28, 3.27 A)
&rst
ixpk= 1005, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 871, 872,
igr2= 676, 677,
&end
#
# 64 ALA MB 47 TRP HB- 4.50 (# 1006:21 Unique 2.64, 3.76 A)
&rst
ixpk= 1006, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 938, 939, 940,
igr2= 676, 677,
&end
#
# 64 ALA MB 47 TRP HB+ 4.50 (# 1007:21 Unique 2.64, 3.76 A)
&rst
ixpk= 1007, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 938, 939, 940,
igr2= 676, 677,
&end
#
# 48 VAL HN 48 VAL HA 6.00 (# 1008:21 Unique 2.87, 2.91 A)
&rst
ixpk= 1008, nxpk= 21, iat= 696, 698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 ILE HN 48 VAL HA 4.50 (# 1009:21 Unique 2.33, 2.70 A)
&rst
ixpk= 1009, nxpk= 21, iat= 861, 698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LEU HN 48 VAL HA 3.50 (# 1010:21 Unique 2.16, 2.19 A)
&rst
ixpk= 1010, nxpk= 21, iat= 712, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 SER HN 48 VAL HA 6.00 (# 1011:21 Unique 4.06, 4.35 A)
&rst
ixpk= 1011, nxpk= 21, iat= 834, 698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 VAL HA 48 VAL HA 3.50 (# 1012:21 Unique 2.54, 2.95 A)
&rst
ixpk= 1012, nxpk= 21, iat= 847, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 VAL HB 48 VAL HA 3.50 (# 1013:21 Unique 2.39, 2.43 A)
&rst
ixpk= 1013, nxpk= 21, iat= 700, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ILE HG1- 48 VAL HA 6.00 (# 1014:21 Unique 2.34, 3.33 A)
&rst
ixpk= 1014, nxpk= 21, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 871, 872,
&end
#
# 0 AMB 21-2:1015 48 VAL HA 6.00 (# 1015:21 Single Ambig)
&rst
ixpk= 1015, nxpk= 21, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 716, 717, 811, 812, 813,
&end
#
# 58 VAL MGY 48 VAL HA 6.00 (# 1016:21 Unique 4.00, 5.66 A)
&rst
ixpk= 1016, nxpk= 21, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 851, 852, 853, 855, 856, 857,
&end
#
# 48 VAL MGY 48 VAL HA 2.80 (# 1017:21 Unique 2.32, 3.50 A)
&rst
ixpk= 1017, nxpk= 21, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 21-2:1018 48 VAL HA 4.50 (# 1018:21 Single Ambig)
&rst
ixpk= 1018, nxpk= 21, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 721, 722, 723, 725, 726, 727, 874, 875, 876,
&end
#
# 49 LEU HN 48 VAL HB 4.50 (# 1019:21 Unique 3.97, 4.07 A)
&rst
ixpk= 1019, nxpk= 21, iat= 712, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 VAL HA 48 VAL HB 4.50 (# 1020:21 Unique 2.39, 2.43 A)
&rst
ixpk= 1020, nxpk= 21, iat= 698, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ALA MB 48 VAL HB 4.50 (# 1022:21 Unique 4.15, 5.35 A)
&rst
ixpk= 1022, nxpk= 21, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 811, 812, 813,
&end
#
# 0 AMB 21-2:1023 48 VAL HB 3.50 (# 1023:21 Single Ambig)
&rst
ixpk= 1023, nxpk= 21, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 702, 703, 704, 706, 707, 708, 851, 852, 853, 855,
856, 857,
&end
#
# 48 VAL MGX 48 VAL HB 3.50 (# 1024:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1024, nxpk= 21, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 48 VAL HA 48 VAL MGY 3.50 (# 1025:21 Unique 2.32, 3.50 A)
&rst
ixpk= 1025, nxpk= 21, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 6 PRO HA 48 VAL MGY 6.00 (# 1026:21 Unique 5.18, 6.30 A)
&rst
ixpk= 1026, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 58 VAL HA 48 VAL MGY 3.50 (# 1027:21 Unique 2.20, 4.60 A)
&rst
ixpk= 1027, nxpk= 21, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 48 VAL HB 48 VAL MGY 2.80 (# 1028:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1028, nxpk= 21, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 56 MET HN 48 VAL MGX 4.50 (# 1029:21 Unique 3.02, 4.96 A)
&rst
ixpk= 1029, nxpk= 21, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 48 VAL HN 48 VAL MGX 3.50 (# 1030:21 Unique 2.12, 4.00 A)
&rst
ixpk= 1030, nxpk= 21, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 48 VAL HA 48 VAL MGX 6.00 (# 1031:21 Unique 2.32, 3.50 A)
&rst
ixpk= 1031, nxpk= 21, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 47 TRP HA 48 VAL MGX 4.50 (# 1032:21 Unique 3.36, 5.56 A)
&rst
ixpk= 1032, nxpk= 21, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 21-2:1034 48 VAL MGX 6.00 (# 1034:21 Single Ambig)
&rst
ixpk= 1034, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 836, 272, 714,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 48 VAL HB 48 VAL MGX 2.80 (# 1035:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1035, nxpk= 21, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 9 ILE HG1- 48 VAL MGX 4.50 (# 1036:21 Unique 1.99, 4.36 A)
&rst
ixpk= 1036, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 122, 123,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 55 ALA MB 48 VAL MGX 3.50 (# 1037:21 Unique 2.00, 4.71 A)
&rst
ixpk= 1037, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 811, 812, 813,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 49 LEU HN 49 LEU HB+ 4.50 (# 1039:21 Unique 2.23, 3.03 A)
&rst
ixpk= 1039, nxpk= 21, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 49 LEU HN 49 LEU HB- 6.00 (# 1040:21 Unique 2.23, 3.03 A)
&rst
ixpk= 1040, nxpk= 21, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 716, 717,
&end
#
# 57 SER HN 49 LEU HB+ 6.00 (# 1041:21 Unique 2.54, 3.90 A)
&rst
ixpk= 1041, nxpk= 21, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 716, 717,
&end
#
# 49 LEU HA 49 LEU HB+ 6.00 (# 1042:21 Unique 2.39, 2.73 A)
&rst
ixpk= 1042, nxpk= 21, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 716, 717,
&end
#
# 49 LEU HA 49 LEU HB- 6.00 (# 1043:21 Unique 2.39, 2.73 A)
&rst
ixpk= 1043, nxpk= 21, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 716, 717,
&end
#
# 49 LEU MDX 49 LEU HB+ 3.50 (# 1046:21 Unique 1.99, 3.31 A)
&rst
ixpk= 1046, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 721, 722, 723, 725, 726, 727,
igr2= 716, 717,
&end
#
# 49 LEU MDX 49 LEU HB- 3.50 (# 1047:21 Unique 1.99, 3.31 A)
&rst
ixpk= 1047, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 721, 722, 723, 725, 726, 727,
igr2= 716, 717,
&end
#
# 49 LEU HN 49 LEU HG 6.00 (# 1048:21 Unique 2.12, 2.90 A)
&rst
ixpk= 1048, nxpk= 21, iat= 712, 719, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 LEU HA 49 LEU HG 6.00 (# 1049:21 Unique 2.62, 3.12 A)
&rst
ixpk= 1049, nxpk= 21, iat= 714, 719, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:1051 49 LEU HG 4.50 (# 1051:21 Single Ambig)
&rst
ixpk= 1051, nxpk= 21, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 871, 872, 867, 868, 869,
&end
#
# 49 LEU MDX 49 LEU HG 2.80 (# 1052:21 Unique 2.21, 2.63 A)
&rst
ixpk= 1052, nxpk= 21, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 721, 722, 723, 725, 726, 727,
&end
#
# 49 LEU HN 49 LEU MDX 6.00 (# 1053:21 Unique 2.15, 3.84 A)
&rst
ixpk= 1053, nxpk= 21, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 67 THR HB 49 LEU MDX 6.00 (# 1054:21 Unique 3.54, 5.74 A)
&rst
ixpk= 1054, nxpk= 21, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 6 PRO HA 49 LEU MDY 4.50 (# 1056:21 Unique 2.64, 4.96 A)
&rst
ixpk= 1056, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 50 VAL MGY 50 VAL HA 2.80 (# 1057:21 Unique 2.43, 3.27 A)
&rst
ixpk= 1057, nxpk= 21, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 737, 738, 739, 741, 742, 743,
&end
#
# 50 VAL HB 50 VAL HA 6.00 (# 1058:21 Unique 2.33, 2.78 A)
&rst
ixpk= 1058, nxpk= 21, iat= 735, 733, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 HIS HN 50 VAL HA 2.80 (# 1059:21 Unique 2.14, 2.18 A)
&rst
ixpk= 1059, nxpk= 21, iat= 747, 733, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 VAL HN 50 VAL HB 4.50 (# 1060:21 Unique 2.42, 2.93 A)
&rst
ixpk= 1060, nxpk= 21, iat= 731, 735, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 VAL HA 50 VAL HB 3.50 (# 1061:21 Unique 2.33, 2.78 A)
&rst
ixpk= 1061, nxpk= 21, iat= 733, 735, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 VAL MGY 50 VAL HB 2.80 (# 1062:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1062, nxpk= 21, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 737, 738, 739, 741, 742, 743,
&end
#
# 50 VAL HN 50 VAL MGY 4.50 (# 1063:21 Unique 1.94, 3.65 A)
&rst
ixpk= 1063, nxpk= 21, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 737, 738, 739, 741, 742, 743,
&end
#
# 50 VAL HA 50 VAL MGY 3.50 (# 1064:21 Unique 2.43, 3.27 A)
&rst
ixpk= 1064, nxpk= 21, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 737, 738, 739, 741, 742, 743,
&end
#
# 50 VAL HB 50 VAL MGY 2.80 (# 1065:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1065, nxpk= 21, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 737, 738, 739, 741, 742, 743,
&end
#
# 52 VAL HN 51 HIS HA 4.50 (# 1066:21 Unique 2.53, 2.54 A)
&rst
ixpk= 1066, nxpk= 21, iat= 764, 749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 HIS HB- 51 HIS HA 4.50 (# 1067:21 Unique 2.62, 2.82 A)
&rst
ixpk= 1067, nxpk= 21, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 751, 752,
&end
#
# 43 ARG HG- 36 CYS HA 4.50 (# 1068:21 Unique 2.39, 3.49 A)
&rst
ixpk= 1068, nxpk= 21, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 615, 616,
&end
#
# 51 HIS HN 51 HIS HB+ 6.00 (# 1069:21 Unique 2.41, 2.85 A)
&rst
ixpk= 1069, nxpk= 21, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 751, 752,
&end
#
# 51 HIS HN 51 HIS HB- 6.00 (# 1070:21 Unique 2.41, 2.85 A)
&rst
ixpk= 1070, nxpk= 21, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 751, 752,
&end
#
# 51 HIS HD2 51 HIS HB+ 6.00 (# 1071:21 Unique 2.72, 3.40 A)
&rst
ixpk= 1071, nxpk= 21, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 751, 752,
&end
#
# 51 HIS HD2 51 HIS HB- 6.00 (# 1072:21 Unique 2.72, 3.40 A)
&rst
ixpk= 1072, nxpk= 21, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 751, 752,
&end
#
# 51 HIS HA 51 HIS HB+ 6.00 (# 1073:21 Unique 2.62, 2.82 A)
&rst
ixpk= 1073, nxpk= 21, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 751, 752,
&end
#
# 51 HIS HA 51 HIS HB- 6.00 (# 1074:21 Unique 2.62, 2.82 A)
&rst
ixpk= 1074, nxpk= 21, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 751, 752,
&end
#
# 0 AMB 21-2:1075 0 AMB 21-1:1075 6.00 (# 1075:21 Double Ambig)
&rst
ixpk= 1075, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 53, 54, 53, 54,
igr2= 751, 752, 751, 752,
&end
#
# 0 AMB 21-2:1076 51 HIS HB- 6.00 (# 1076:21 Single Ambig)
&rst
ixpk= 1076, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 53, 54, 53, 54,
igr2= 751, 752,
&end
#
# 52 VAL HN 52 VAL HA 3.50 (# 1079:21 Unique 2.70, 2.73 A)
&rst
ixpk= 1079, nxpk= 21, iat= 764, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 PHE HN 52 VAL HA 6.00 (# 1080:21 Unique 4.90, 5.05 A)
&rst
ixpk= 1080, nxpk= 21, iat= 787, 766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 GLY HN 52 VAL HA 4.50 (# 1081:21 Unique 3.50, 3.54 A)
&rst
ixpk= 1081, nxpk= 21, iat= 780, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 HIS HA 52 VAL HA 6.00 (# 1082:21 Unique 4.30, 4.30 A)
&rst
ixpk= 1082, nxpk= 21, iat= 749, 766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 GLY HA+ 52 VAL HA 6.00 (# 1083:21 Unique 4.55, 4.76 A)
&rst
ixpk= 1083, nxpk= 21, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 782, 783,
&end
#
# 52 VAL HB 52 VAL HA 3.50 (# 1084:21 Unique 2.39, 2.87 A)
&rst
ixpk= 1084, nxpk= 21, iat= 768, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 VAL MGY 52 VAL HA 3.50 (# 1085:21 Unique 2.17, 3.21 A)
&rst
ixpk= 1085, nxpk= 21, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 770, 771, 772, 774, 775, 776,
&end
#
# 52 VAL MGX 52 VAL HA 4.50 (# 1086:21 Unique 2.17, 3.21 A)
&rst
ixpk= 1086, nxpk= 21, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 770, 771, 772, 774, 775, 776,
&end
#
# 52 VAL HN 52 VAL HB 6.00 (# 1087:21 Unique 2.57, 2.85 A)
&rst
ixpk= 1087, nxpk= 21, iat= 764, 768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 GLY HN 52 VAL HB 4.50 (# 1088:21 Unique 2.43, 2.92 A)
&rst
ixpk= 1088, nxpk= 21, iat= 780, 768, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HA 52 VAL HB 3.50 (# 1089:21 Unique 2.39, 2.87 A)
&rst
ixpk= 1089, nxpk= 21, iat= 766, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 VAL MGY 52 VAL HB 3.50 (# 1090:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1090, nxpk= 21, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 770, 771, 772, 774, 775, 776,
&end
#
# 52 VAL MGX 52 VAL HB 3.50 (# 1091:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1091, nxpk= 21, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 770, 771, 772, 774, 775, 776,
&end
#
# 52 VAL HN 52 VAL MGY 6.00 (# 1092:21 Unique 1.94, 3.56 A)
&rst
ixpk= 1092, nxpk= 21, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 53 GLY HN 52 VAL MGY 6.00 (# 1093:21 Unique 1.94, 4.29 A)
&rst
ixpk= 1093, nxpk= 21, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 2 CYS HA 52 VAL MGY 6.00 (# 1094:21 Unique 3.21, 5.97 A)
&rst
ixpk= 1094, nxpk= 21, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 52 VAL HA 52 VAL MGY 3.50 (# 1095:21 Unique 2.17, 3.21 A)
&rst
ixpk= 1095, nxpk= 21, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 52 VAL HB 52 VAL MGY 2.80 (# 1096:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1096, nxpk= 21, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 52 VAL HN 52 VAL MGX 6.00 (# 1097:21 Unique 1.94, 3.56 A)
&rst
ixpk= 1097, nxpk= 21, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 51 HIS HD2 52 VAL MGX 6.00 (# 1098:21 Unique 2.73, 5.79 A)
&rst
ixpk= 1098, nxpk= 21, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 51 HIS HA 52 VAL MGX 6.00 (# 1099:21 Unique 3.95, 5.79 A)
&rst
ixpk= 1099, nxpk= 21, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 2 CYS HA 52 VAL MGX 6.00 (# 1100:21 Unique 3.21, 5.97 A)
&rst
ixpk= 1100, nxpk= 21, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 51 HIS HB+ 52 VAL MGX 6.00 (# 1101:21 Unique 3.30, 6.39 A)
&rst
ixpk= 1101, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 751, 752,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 29 ASP HN 54 PHE HA 4.50 (# 1103:21 Unique 2.57, 2.82 A)
&rst
ixpk= 1103, nxpk= 21, iat= 420, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ALA HN 54 PHE HA 3.50 (# 1104:21 Unique 2.31, 2.68 A)
&rst
ixpk= 1104, nxpk= 21, iat= 807, 789, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 PHE HD 54 PHE HA 4.50 (# 1105:21 Unique 2.74, 3.56 A)
&rst
ixpk= 1105, nxpk= 21, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 795, 803,
&end
#
# 54 PHE HB+ 54 PHE HA 4.50 (# 1106:21 Unique 2.35, 2.73 A)
&rst
ixpk= 1106, nxpk= 21, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 791, 792,
&end
#
# 54 PHE HB- 54 PHE HA 4.50 (# 1107:21 Unique 2.35, 2.73 A)
&rst
ixpk= 1107, nxpk= 21, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 791, 792,
&end
#
# 29 ASP HB- 54 PHE HA 4.50 (# 1108:21 Unique 2.00, 2.72 A)
&rst
ixpk= 1108, nxpk= 21, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 424, 425,
&end
#
# 0 AMB 21-2:1109 54 PHE HA 4.50 (# 1109:21 Single Ambig)
&rst
ixpk= 1109, nxpk= 21, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 30 LEU HN 55 ALA MB 6.00 (# 1110:21 Unique 4.69, 5.68 A)
&rst
ixpk= 1110, nxpk= 21, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 811, 812, 813,
&end
#
# 56 MET HN 55 ALA MB 4.50 (# 1111:21 Unique 2.83, 3.95 A)
&rst
ixpk= 1111, nxpk= 21, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 811, 812, 813,
&end
#
# 49 LEU HN 55 ALA MB 6.00 (# 1112:21 Unique 4.97, 6.38 A)
&rst
ixpk= 1112, nxpk= 21, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 811, 812, 813,
&end
#
# 55 ALA HN 55 ALA MB 4.50 (# 1113:21 Unique 2.20, 2.99 A)
&rst
ixpk= 1113, nxpk= 21, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 811, 812, 813,
&end
#
# 57 SER HN 55 ALA MB 6.00 (# 1114:21 Unique 3.65, 4.65 A)
&rst
ixpk= 1114, nxpk= 21, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 811, 812, 813,
&end
#
# 48 VAL HA 55 ALA MB 6.00 (# 1115:21 Unique 5.12, 6.55 A)
&rst
ixpk= 1115, nxpk= 21, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 811, 812, 813,
&end
#
# 54 PHE HA 55 ALA MB 6.00 (# 1116:21 Unique 4.46, 5.12 A)
&rst
ixpk= 1116, nxpk= 21, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 811, 812, 813,
&end
#
# 30 LEU HA 55 ALA MB 3.50 (# 1118:21 Unique 2.10, 3.08 A)
&rst
ixpk= 1118, nxpk= 21, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 811, 812, 813,
&end
#
# 0 AMB 21-2:1119 55 ALA MB 6.00 (# 1119:21 Single Ambig)
&rst
ixpk= 1119, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 488, 424, 425,
igr2= 811, 812, 813,
&end
#
# 0 AMB 21-2:1120 55 ALA MB 4.50 (# 1120:21 Single Ambig)
&rst
ixpk= 1120, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 700, 849,
igr2= 811, 812, 813,
&end
#
# 0 AMB 21-2:1121 55 ALA MB 6.00 (# 1121:21 Single Ambig)
&rst
ixpk= 1121, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 436, 437, 436, 437,
igr2= 811, 812, 813,
&end
#
# 33 VAL MGX 55 ALA MB 3.50 (# 1122:21 Unique 1.99, 4.13 A)
&rst
ixpk= 1122, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 490, 491, 492, 494, 495, 496,
igr2= 811, 812, 813,
&end
#
# 0 AMB 21-2:1123 55 ALA MB 3.50 (# 1123:21 Single Ambig)
&rst
ixpk= 1123, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 702, 703, 704, 706, 707, 708, 410, 411, 412, 414,
415, 416,
igr2= 811, 812, 813,
&end
#
# 30 LEU MDY 55 ALA MB 3.50 (# 1124:21 Unique 2.00, 5.10 A)
&rst
ixpk= 1124, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 441, 442, 443, 445, 446, 447,
igr2= 811, 812, 813,
&end
#
# 32 LEU MDX 56 MET HA 4.50 (# 1125:21 Unique 3.62, 6.53 A)
&rst
ixpk= 1125, nxpk= 21, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 56 MET HB+ 56 MET HA 4.50 (# 1126:21 Unique 2.69, 2.84 A)
&rst
ixpk= 1126, nxpk= 21, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 821, 822,
&end
#
# 56 MET HG- 56 MET HA 4.50 (# 1127:21 Unique 2.05, 2.74 A)
&rst
ixpk= 1127, nxpk= 21, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 824, 825,
&end
#
# 56 MET HN 56 MET HB- 6.00 (# 1128:21 Unique 2.06, 2.66 A)
&rst
ixpk= 1128, nxpk= 21, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 821, 822,
&end
#
# 56 MET HN 56 MET HB+ 6.00 (# 1129:21 Unique 2.06, 2.66 A)
&rst
ixpk= 1129, nxpk= 21, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 821, 822,
&end
#
# 57 SER HN 56 MET HB- 6.00 (# 1130:21 Unique 2.39, 2.83 A)
&rst
ixpk= 1130, nxpk= 21, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 821, 822,
&end
#
# 47 TRP HE3 6 PRO HB- 6.00 (# 1131:21 Unique 2.16, 3.20 A)
&rst
ixpk= 1131, nxpk= 21, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 81, 82,
&end
#
# 56 MET HG- 56 MET HB- 6.00 (# 1132:21 Unique 2.21, 2.65 A)
&rst
ixpk= 1132, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 824, 825,
igr2= 821, 822,
&end
#
# 56 MET HG+ 56 MET HB+ 6.00 (# 1133:21 Unique 2.21, 2.65 A)
&rst
ixpk= 1133, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 824, 825,
igr2= 821, 822,
&end
#
# 56 MET HN 56 MET HG- 6.00 (# 1134:21 Unique 3.35, 3.99 A)
&rst
ixpk= 1134, nxpk= 21, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 824, 825,
&end
#
# 56 MET HN 56 MET HG+ 6.00 (# 1135:21 Unique 3.35, 3.99 A)
&rst
ixpk= 1135, nxpk= 21, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 824, 825,
&end
#
# 51 HIS HN 56 MET HG+ 6.00 (# 1136:21 Unique 4.43, 5.70 A)
&rst
ixpk= 1136, nxpk= 21, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 824, 825,
&end
#
# 56 MET HA 56 MET HG- 6.00 (# 1137:21 Unique 2.05, 2.74 A)
&rst
ixpk= 1137, nxpk= 21, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 824, 825,
&end
#
# 56 MET HA 56 MET HG+ 6.00 (# 1138:21 Unique 2.05, 2.74 A)
&rst
ixpk= 1138, nxpk= 21, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 824, 825,
&end
#
# 58 VAL HN 57 SER HA 2.80 (# 1139:21 Unique 2.19, 2.29 A)
&rst
ixpk= 1139, nxpk= 21, iat= 845, 836, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 SER HN 57 SER HA 4.50 (# 1140:21 Unique 2.80, 2.83 A)
&rst
ixpk= 1140, nxpk= 21, iat= 834, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 SER HB- 57 SER HA 2.80 (# 1141:21 Unique 2.24, 2.82 A)
&rst
ixpk= 1141, nxpk= 21, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 838, 839,
&end
#
# 58 VAL HB 57 SER HA 6.00 (# 1142:21 Unique 4.42, 4.75 A)
&rst
ixpk= 1142, nxpk= 21, iat= 849, 836, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 VAL MGY 57 SER HA 3.50 (# 1143:21 Unique 2.80, 5.06 A)
&rst
ixpk= 1143, nxpk= 21, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 0 AMB 21-2:1144 57 SER HA 4.50 (# 1144:21 Single Ambig)
&rst
ixpk= 1144, nxpk= 21, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 851, 852, 853, 855, 856, 857, 702, 703, 704, 706,
707, 708,
&end
#
# 58 VAL HN 57 SER HB- 4.50 (# 1145:21 Unique 2.27, 3.50 A)
&rst
ixpk= 1145, nxpk= 21, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 838, 839,
&end
#
# 58 VAL HN 57 SER HB+ 4.50 (# 1146:21 Unique 2.27, 3.50 A)
&rst
ixpk= 1146, nxpk= 21, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 838, 839,
&end
#
# 57 SER HN 57 SER HB- 6.00 (# 1147:21 Unique 2.88, 3.43 A)
&rst
ixpk= 1147, nxpk= 21, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 838, 839,
&end
#
# 57 SER HN 57 SER HB+ 6.00 (# 1148:21 Unique 2.88, 3.43 A)
&rst
ixpk= 1148, nxpk= 21, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 838, 839,
&end
#
# 57 SER HA 57 SER HB- 3.50 (# 1149:21 Unique 2.24, 2.82 A)
&rst
ixpk= 1149, nxpk= 21, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 838, 839,
&end
#
# 57 SER HA 57 SER HB+ 3.50 (# 1150:21 Unique 2.24, 2.82 A)
&rst
ixpk= 1150, nxpk= 21, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 838, 839,
&end
#
# 49 LEU MDX 57 SER HB- 4.50 (# 1151:21 Unique 2.18, 5.29 A)
&rst
ixpk= 1151, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 721, 722, 723, 725, 726, 727,
igr2= 838, 839,
&end
#
# 49 LEU MDX 57 SER HB+ 4.50 (# 1152:21 Unique 2.18, 5.29 A)
&rst
ixpk= 1152, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 721, 722, 723, 725, 726, 727,
igr2= 838, 839,
&end
#
# 58 VAL HN 58 VAL HB 3.50 (# 1153:21 Unique 2.45, 2.62 A)
&rst
ixpk= 1153, nxpk= 21, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 VAL HA 58 VAL HB 4.50 (# 1154:21 Unique 2.39, 2.93 A)
&rst
ixpk= 1154, nxpk= 21, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 VAL MGY 58 VAL HB 2.80 (# 1155:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1155, nxpk= 21, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 851, 852, 853, 855, 856, 857,
&end
#
# 58 VAL MGX 58 VAL HB 2.80 (# 1156:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1156, nxpk= 21, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 851, 852, 853, 855, 856, 857,
&end
#
# 59 ILE HN 58 VAL HB 6.00 (# 1157:21 Unique 4.10, 4.25 A)
&rst
ixpk= 1157, nxpk= 21, iat= 861, 849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 VAL HN 58 VAL MGY 4.50 (# 1158:21 Unique 1.96, 3.85 A)
&rst
ixpk= 1158, nxpk= 21, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 58 VAL HN 58 VAL MGX 4.50 (# 1159:21 Unique 1.96, 3.85 A)
&rst
ixpk= 1159, nxpk= 21, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 59 ILE HN 58 VAL MGY 3.50 (# 1160:21 Unique 2.36, 4.41 A)
&rst
ixpk= 1160, nxpk= 21, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 58 VAL HA 58 VAL MGY 3.50 (# 1163:21 Unique 2.21, 3.17 A)
&rst
ixpk= 1163, nxpk= 21, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 58 VAL HA 58 VAL MGX 3.50 (# 1164:21 Unique 2.21, 3.17 A)
&rst
ixpk= 1164, nxpk= 21, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 0 AMB 21-2:1165 58 VAL MGX 4.50 (# 1165:21 Single Ambig)
&rst
ixpk= 1165, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 531, 657,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 43 ARG HD+ 58 VAL MGX 4.50 (# 1166:21 Unique 1.99, 4.43 A)
&rst
ixpk= 1166, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 618, 619,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 43 ARG HD+ 58 VAL MGY 6.00 (# 1167:21 Unique 1.99, 4.43 A)
&rst
ixpk= 1167, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 33 VAL HB 58 VAL MGX 4.50 (# 1168:21 Unique 2.24, 4.66 A)
&rst
ixpk= 1168, nxpk= 21, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 46 GLN HB+ 58 VAL MGY 4.50 (# 1169:21 Unique 2.16, 5.09 A)
&rst
ixpk= 1169, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 659, 660,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 0 AMB 21-2:1170 58 VAL MGY 2.80 (# 1170:21 Single Ambig)
&rst
ixpk= 1170, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 849, 700,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 58 VAL HB 58 VAL MGX 2.80 (# 1171:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1171, nxpk= 21, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 851, 852, 853, 855, 856, 857,
&end
#
# 60 ASN HN 59 ILE HB 3.50 (# 1172:21 Unique 1.90, 1.93 A)
&rst
ixpk= 1172, nxpk= 21, iat= 880, 865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 21-2:1174 59 ILE HB 4.50 (# 1174:21 Single Ambig)
&rst
ixpk= 1174, nxpk= 21, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 923, 924, 926, 927,
&end
#
# 59 ILE HG1- 59 ILE HB 2.80 (# 1175:21 Unique 2.44, 2.75 A)
&rst
ixpk= 1175, nxpk= 21, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 871, 872,
&end
#
# 0 AMB 21-2:1176 59 ILE HB 2.80 (# 1176:21 Single Ambig)
&rst
ixpk= 1176, nxpk= 21, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 867, 868, 869, 871, 872,
&end
#
# 59 ILE HN 59 ILE HG1- 4.50 (# 1177:21 Unique 2.01, 2.70 A)
&rst
ixpk= 1177, nxpk= 21, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 871, 872,
&end
#
# 59 ILE HN 59 ILE HG1+ 4.50 (# 1178:21 Unique 2.01, 2.70 A)
&rst
ixpk= 1178, nxpk= 21, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 871, 872,
&end
#
# 0 AMB 21-2:1180 0 AMB 21-1:1180 6.00 (# 1180:21 Double Ambig)
&rst
ixpk= 1180, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 863, 882, 847,
igr2= 871, 872, 871, 872, 871, 872,
&end
#
# 47 TRP HB+ 59 ILE HG1- 6.00 (# 1181:21 Unique 2.28, 3.27 A)
&rst
ixpk= 1181, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 676, 677,
igr2= 871, 872,
&end
#
# 47 TRP HB+ 59 ILE HG1+ 6.00 (# 1182:21 Unique 2.28, 3.27 A)
&rst
ixpk= 1182, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 676, 677,
igr2= 871, 872,
&end
#
# 47 TRP HB- 59 ILE HG1+ 6.00 (# 1183:21 Unique 2.28, 3.27 A)
&rst
ixpk= 1183, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 676, 677,
igr2= 871, 872,
&end
#
# 47 TRP HB- 59 ILE HG1- 6.00 (# 1184:21 Unique 2.28, 3.27 A)
&rst
ixpk= 1184, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 676, 677,
igr2= 871, 872,
&end
#
# 59 ILE HB 59 ILE HG1- 4.50 (# 1185:21 Unique 2.44, 2.75 A)
&rst
ixpk= 1185, nxpk= 21, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 871, 872,
&end
#
# 59 ILE HB 59 ILE HG1+ 6.00 (# 1186:21 Unique 2.44, 2.75 A)
&rst
ixpk= 1186, nxpk= 21, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 871, 872,
&end
#
# 60 ASN HN 59 ILE HG1- 6.00 (# 1189:21 Unique 2.77, 3.51 A)
&rst
ixpk= 1189, nxpk= 21, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 871, 872,
&end
#
# 0 AMB 21-2:1190 59 ILE MG2 4.50 (# 1190:21 Single Ambig)
&rst
ixpk= 1190, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 845, 880,
igr2= 867, 868, 869,
&end
#
# 59 ILE HN 59 ILE MG2 4.50 (# 1191:21 Unique 2.66, 3.68 A)
&rst
ixpk= 1191, nxpk= 21, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 867, 868, 869,
&end
#
# 49 LEU HN 59 ILE MG2 6.00 (# 1192:21 Unique 3.71, 4.97 A)
&rst
ixpk= 1192, nxpk= 21, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 867, 868, 869,
&end
#
# 47 TRP HB+ 59 ILE MG2 6.00 (# 1195:21 Unique 5.58, 6.46 A)
&rst
ixpk= 1195, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 676, 677,
igr2= 867, 868, 869,
&end
#
# 59 ILE HB 59 ILE MG2 2.80 (# 1196:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1196, nxpk= 21, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 867, 868, 869,
&end
#
# 60 ASN HN 59 ILE MD1 6.00 (# 1198:21 Unique 3.76, 4.49 A)
&rst
ixpk= 1198, nxpk= 21, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 874, 875, 876,
&end
#
# 59 ILE HN 59 ILE MD1 6.00 (# 1199:21 Unique 4.09, 4.70 A)
&rst
ixpk= 1199, nxpk= 21, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 874, 875, 876,
&end
#
# 64 ALA HN 59 ILE MD1 6.00 (# 1200:21 Unique 2.28, 3.41 A)
&rst
ixpk= 1200, nxpk= 21, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 874, 875, 876,
&end
#
# 63 GLU HN 59 ILE MD1 6.00 (# 1201:21 Unique 3.90, 5.11 A)
&rst
ixpk= 1201, nxpk= 21, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 874, 875, 876,
&end
#
# 7 GLY HN 59 ILE MD1 6.00 (# 1202:21 Unique 4.44, 5.93 A)
&rst
ixpk= 1202, nxpk= 21, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 874, 875, 876,
&end
#
# 47 TRP HE3 59 ILE MD1 6.00 (# 1203:21 Unique 4.11, 5.30 A)
&rst
ixpk= 1203, nxpk= 21, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 874, 875, 876,
&end
#
# 47 TRP HB- 59 ILE MD1 6.00 (# 1204:21 Unique 3.26, 4.38 A)
&rst
ixpk= 1204, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 676, 677,
igr2= 874, 875, 876,
&end
#
# 47 TRP HB+ 59 ILE MD1 6.00 (# 1205:21 Unique 3.26, 4.38 A)
&rst
ixpk= 1205, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 676, 677,
igr2= 874, 875, 876,
&end
#
# 64 ALA HA 59 ILE MD1 4.50 (# 1207:21 Unique 2.44, 3.37 A)
&rst
ixpk= 1207, nxpk= 21, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 874, 875, 876,
&end
#
# 67 THR HB 59 ILE MD1 6.00 (# 1208:21 Unique 4.68, 5.21 A)
&rst
ixpk= 1208, nxpk= 21, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 874, 875, 876,
&end
#
# 6 PRO HB+ 59 ILE MD1 3.50 (# 1209:21 Unique 2.24, 3.75 A)
&rst
ixpk= 1209, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 81, 82,
igr2= 874, 875, 876,
&end
#
# 59 ILE HB 59 ILE MD1 2.80 (# 1210:21 Unique 2.45, 3.15 A)
&rst
ixpk= 1210, nxpk= 21, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 874, 875, 876,
&end
#
# 59 ILE HG1- 59 ILE MD1 2.80 (# 1211:21 Unique 2.20, 2.62 A)
&rst
ixpk= 1211, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 871, 872,
igr2= 874, 875, 876,
&end
#
# 0 AMB 21-2:1212 59 ILE MD1 3.50 (# 1212:21 Single Ambig)
&rst
ixpk= 1212, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 923, 924, 81, 82,
igr2= 874, 875, 876,
&end
#
# 61 GLU HN 60 ASN HB+ 3.50 (# 1213:21 Unique 2.20, 2.40 A)
&rst
ixpk= 1213, nxpk= 21, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 884, 885,
&end
#
# 61 GLU HN 60 ASN HB- 3.50 (# 1214:21 Unique 2.20, 2.40 A)
&rst
ixpk= 1214, nxpk= 21, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 884, 885,
&end
#
# 63 GLU HN 60 ASN HB+ 6.00 (# 1215:21 Unique 3.23, 4.17 A)
&rst
ixpk= 1215, nxpk= 21, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 884, 885,
&end
#
# 60 ASN HD2- 60 ASN HB+ 6.00 (# 1216:21 Unique 2.28, 3.35 A)
&rst
ixpk= 1216, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 889, 890,
igr2= 884, 885,
&end
#
# 60 ASN HD2- 60 ASN HB- 4.50 (# 1217:21 Unique 2.28, 3.35 A)
&rst
ixpk= 1217, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 889, 890,
igr2= 884, 885,
&end
#
# 62 ALA HN 60 ASN HB+ 6.00 (# 1218:21 Unique 2.05, 2.88 A)
&rst
ixpk= 1218, nxpk= 21, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 884, 885,
&end
#
# 62 ALA HN 60 ASN HB- 6.00 (# 1219:21 Unique 2.05, 2.88 A)
&rst
ixpk= 1219, nxpk= 21, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 884, 885,
&end
#
# 60 ASN HD2+ 60 ASN HB+ 6.00 (# 1220:21 Unique 2.28, 3.35 A)
&rst
ixpk= 1220, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 889, 890,
igr2= 884, 885,
&end
#
# 60 ASN HD2+ 60 ASN HB- 4.50 (# 1221:21 Unique 2.28, 3.35 A)
&rst
ixpk= 1221, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 889, 890,
igr2= 884, 885,
&end
#
# 60 ASN HA 60 ASN HB+ 3.50 (# 1222:21 Unique 2.24, 2.57 A)
&rst
ixpk= 1222, nxpk= 21, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 884, 885,
&end
#
# 60 ASN HA 60 ASN HB- 2.80 (# 1223:21 Unique 2.24, 2.57 A)
&rst
ixpk= 1223, nxpk= 21, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 884, 885,
&end
#
# 0 AMB 21-2:1226 0 AMB 21-1:1226 6.00 (# 1226:21 Double Ambig)
&rst
ixpk= 1226, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 901, 902, 898, 899,
igr2= 884, 885, 884, 885,
&end
#
# 61 GLU HB- 60 ASN HB+ 6.00 (# 1227:21 Unique 4.36, 5.31 A)
&rst
ixpk= 1227, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 898, 899,
igr2= 884, 885,
&end
#
# 59 ILE HB 60 ASN HB- 6.00 (# 1228:21 Unique 4.84, 5.24 A)
&rst
ixpk= 1228, nxpk= 21, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 884, 885,
&end
#
# 61 GLU HN 61 GLU HA 6.00 (# 1230:21 Unique 2.86, 2.87 A)
&rst
ixpk= 1230, nxpk= 21, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 ALA HN 61 GLU HA 6.00 (# 1232:21 Unique 3.74, 3.84 A)
&rst
ixpk= 1232, nxpk= 21, iat= 934, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HD1 61 GLU HA 6.00 (# 1233:21 Unique 3.35, 3.53 A)
&rst
ixpk= 1233, nxpk= 21, iat= 680, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:1235 61 GLU HA 2.80 (# 1235:21 Single Ambig)
&rst
ixpk= 1235, nxpk= 21, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 898, 899, 901, 902,
&end
#
# 64 ALA MB 61 GLU HA 4.50 (# 1237:21 Unique 2.85, 3.83 A)
&rst
ixpk= 1237, nxpk= 21, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 938, 939, 940,
&end
#
# 47 TRP HE1 61 GLU HA 6.00 (# 1239:21 Unique 3.72, 3.87 A)
&rst
ixpk= 1239, nxpk= 21, iat= 682, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 ASN HB- 61 GLU HB+ 4.50 (# 1241:21 Unique 4.36, 5.31 A)
&rst
ixpk= 1241, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 884, 885,
igr2= 898, 899,
&end
#
# 60 ASN HB- 61 GLU HB- 4.50 (# 1242:21 Unique 4.36, 5.31 A)
&rst
ixpk= 1242, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 884, 885,
igr2= 898, 899,
&end
#
# 0 AMB 21-2:1243 0 AMB 21-1:1243 6.00 (# 1243:21 Double Ambig)
&rst
ixpk= 1243, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 685, 680,
igr2= 898, 899, 898, 899,
&end
#
# 0 AMB 21-2:1244 61 GLU HB- 6.00 (# 1244:21 Single Ambig)
&rst
ixpk= 1244, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 685, 680,
igr2= 898, 899,
&end
#
# 61 GLU HN 61 GLU HB+ 4.50 (# 1245:21 Unique 2.77, 3.19 A)
&rst
ixpk= 1245, nxpk= 21, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 898, 899,
&end
#
# 0 AMB 21-2:1246 78 GLU HB- 4.50 (# 1246:21 Single Ambig)
&rst
ixpk= 1246, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1150,1207,
igr2=1154,1155,
&end
#
# 62 ALA HN 61 GLU HB- 4.50 (# 1247:21 Unique 3.15, 3.79 A)
&rst
ixpk= 1247, nxpk= 21, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 898, 899,
&end
#
# 62 ALA HN 61 GLU HB+ 4.50 (# 1248:21 Unique 3.15, 3.79 A)
&rst
ixpk= 1248, nxpk= 21, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 898, 899,
&end
#
# 61 GLU HN 61 GLU HG+ 4.50 (# 1249:21 Unique 1.93, 2.38 A)
&rst
ixpk= 1249, nxpk= 21, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 901, 902,
&end
#
# 61 GLU HN 61 GLU HG- 6.00 (# 1250:21 Unique 1.93, 2.38 A)
&rst
ixpk= 1250, nxpk= 21, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 901, 902,
&end
#
# 62 ALA HN 61 GLU HG+ 6.00 (# 1251:21 Unique 3.97, 4.40 A)
&rst
ixpk= 1251, nxpk= 21, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 901, 902,
&end
#
# 62 ALA HN 61 GLU HG- 6.00 (# 1252:21 Unique 3.97, 4.40 A)
&rst
ixpk= 1252, nxpk= 21, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 901, 902,
&end
#
# 47 TRP HD1 61 GLU HG+ 6.00 (# 1253:21 Unique 2.28, 3.17 A)
&rst
ixpk= 1253, nxpk= 21, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 901, 902,
&end
#
# 47 TRP HD1 61 GLU HG- 6.00 (# 1254:21 Unique 2.28, 3.17 A)
&rst
ixpk= 1254, nxpk= 21, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 901, 902,
&end
#
# 60 ASN HB+ 61 GLU HG+ 6.00 (# 1255:21 Unique 3.79, 4.46 A)
&rst
ixpk= 1255, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 884, 885,
igr2= 901, 902,
&end
#
# 60 ASN HB+ 61 GLU HG- 6.00 (# 1256:21 Unique 3.79, 4.46 A)
&rst
ixpk= 1256, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 884, 885,
igr2= 901, 902,
&end
#
# 60 ASN HB- 61 GLU HG- 4.50 (# 1257:21 Unique 3.79, 4.46 A)
&rst
ixpk= 1257, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 884, 885,
igr2= 901, 902,
&end
#
# 60 ASN HB- 61 GLU HG+ 4.50 (# 1258:21 Unique 3.79, 4.46 A)
&rst
ixpk= 1258, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 884, 885,
igr2= 901, 902,
&end
#
# 0 AMB 21-2:1259 61 GLU HG- 6.00 (# 1259:21 Single Ambig)
&rst
ixpk= 1259, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 951, 952, 138, 139, 138, 139,
igr2= 901, 902,
&end
#
# 0 AMB 21-2:1260 0 AMB 21-1:1260 6.00 (# 1260:21 Double Ambig)
&rst
ixpk= 1260, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 951, 952, 138, 139, 138, 139,
igr2= 901, 902, 901, 902, 901, 902,
&end
#
# 47 TRP HE1 61 GLU HG+ 6.00 (# 1261:21 Unique 2.28, 3.48 A)
&rst
ixpk= 1261, nxpk= 21, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 901, 902,
&end
#
# 47 TRP HE1 61 GLU HG- 6.00 (# 1262:21 Unique 2.28, 3.48 A)
&rst
ixpk= 1262, nxpk= 21, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 901, 902,
&end
#
# 61 GLU HN 62 ALA HA 6.00 (# 1263:21 Unique 4.97, 5.02 A)
&rst
ixpk= 1263, nxpk= 21, iat= 894, 911, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 ALA HN 62 ALA HA 4.50 (# 1264:21 Unique 2.86, 2.88 A)
&rst
ixpk= 1264, nxpk= 21, iat= 909, 911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 GLU HN 62 ALA HA 4.50 (# 1265:21 Unique 3.56, 3.57 A)
&rst
ixpk= 1265, nxpk= 21, iat= 919, 911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLU HB+ 62 ALA HA 6.00 (# 1266:21 Unique 4.12, 4.58 A)
&rst
ixpk= 1266, nxpk= 21, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 898, 899,
&end
#
# 65 ARG HB+ 62 ALA HA 4.50 (# 1267:21 Unique 2.77, 3.61 A)
&rst
ixpk= 1267, nxpk= 21, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 948, 949,
&end
#
# 62 ALA MB 62 ALA HA 2.80 (# 1268:21 Unique 2.41, 2.63 A)
&rst
ixpk= 1268, nxpk= 21, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 913, 914, 915,
&end
#
# 0 AMB 21-2:1269 62 ALA MB 6.00 (# 1269:21 Single Ambig)
&rst
ixpk= 1269, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 894, 880,
igr2= 913, 914, 915,
&end
#
# 62 ALA HN 62 ALA MB 2.80 (# 1270:21 Unique 2.52, 2.92 A)
&rst
ixpk= 1270, nxpk= 21, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 913, 914, 915,
&end
#
# 63 GLU HN 62 ALA MB 3.50 (# 1271:21 Unique 2.18, 3.14 A)
&rst
ixpk= 1271, nxpk= 21, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 913, 914, 915,
&end
#
# 60 ASN HD2+ 62 ALA MB 6.00 (# 1272:21 Unique 2.67, 4.56 A)
&rst
ixpk= 1272, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 889, 890,
igr2= 913, 914, 915,
&end
#
# 62 ALA HA 62 ALA MB 2.80 (# 1273:21 Unique 2.41, 2.63 A)
&rst
ixpk= 1273, nxpk= 21, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 913, 914, 915,
&end
#
# 0 AMB 21-2:1274 62 ALA MB 6.00 (# 1274:21 Single Ambig)
&rst
ixpk= 1274, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 954, 955, 954, 955,
igr2= 913, 914, 915,
&end
#
# 0 AMB 21-2:1275 0 AMB 21-1:1275 4.50 (# 1275:21 Double Ambig)
&rst
ixpk= 1275, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1013, 934,1035,
igr2= 996, 921,
&end
#
# 0 AMB 21-2:1276 0 AMB 21-1:1276 4.50 (# 1276:21 Double Ambig)
&rst
ixpk= 1276, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 968,1054,
igr2= 921, 996,
&end
#
# 63 GLU HN 63 GLU HA 4.50 (# 1277:21 Unique 2.75, 2.75 A)
&rst
ixpk= 1277, nxpk= 21, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 ASP HB- 63 GLU HA 3.50 (# 1278:21 Unique 2.84, 3.21 A)
&rst
ixpk= 1278, nxpk= 21, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 972, 973,
&end
#
# 63 GLU HG- 63 GLU HA 4.50 (# 1279:21 Unique 2.32, 3.17 A)
&rst
ixpk= 1279, nxpk= 21, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 926, 927,
&end
#
# 0 AMB 21-2:1280 63 GLU HA 2.80 (# 1280:21 Single Ambig)
&rst
ixpk= 1280, nxpk= 21, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 926, 927, 923, 924,
&end
#
# 0 AMB 21-2:1281 0 AMB 21-1:1281 2.80 (# 1281:21 Double Ambig)
&rst
ixpk= 1281, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 923, 924, 998, 999,
igr2= 921, 996,
&end
#
# 63 GLU HA 63 GLU HB+ 3.50 (# 1282:21 Unique 2.54, 2.81 A)
&rst
ixpk= 1282, nxpk= 21, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 923, 924,
&end
#
# 63 GLU HA 63 GLU HB- 4.50 (# 1283:21 Unique 2.54, 2.81 A)
&rst
ixpk= 1283, nxpk= 21, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 923, 924,
&end
#
# 63 GLU HN 63 GLU HB+ 3.50 (# 1284:21 Unique 2.21, 2.93 A)
&rst
ixpk= 1284, nxpk= 21, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 923, 924,
&end
#
# 63 GLU HN 63 GLU HB- 3.50 (# 1285:21 Unique 2.21, 2.93 A)
&rst
ixpk= 1285, nxpk= 21, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 923, 924,
&end
#
# 9 ILE MD1 46 GLN HB- 4.50 (# 1286:21 Unique 3.18, 4.42 A)
&rst
ixpk= 1286, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 125, 126, 127,
igr2= 659, 660,
&end
#
# 59 ILE MD1 63 GLU HB- 4.50 (# 1287:21 Unique 2.00, 3.08 A)
&rst
ixpk= 1287, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 874, 875, 876,
igr2= 923, 924,
&end
#
# 60 ASN HN 63 GLU HG- 6.00 (# 1288:21 Unique 2.86, 3.71 A)
&rst
ixpk= 1288, nxpk= 21, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 926, 927,
&end
#
# 60 ASN HN 63 GLU HG+ 6.00 (# 1289:21 Unique 2.86, 3.71 A)
&rst
ixpk= 1289, nxpk= 21, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 926, 927,
&end
#
# 64 ALA HN 63 GLU HG+ 6.00 (# 1290:21 Unique 4.44, 4.82 A)
&rst
ixpk= 1290, nxpk= 21, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 926, 927,
&end
#
# 64 ALA HN 63 GLU HG- 6.00 (# 1291:21 Unique 4.44, 4.82 A)
&rst
ixpk= 1291, nxpk= 21, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 926, 927,
&end
#
# 63 GLU HN 63 GLU HG+ 4.50 (# 1292:21 Unique 2.33, 3.18 A)
&rst
ixpk= 1292, nxpk= 21, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 926, 927,
&end
#
# 63 GLU HN 63 GLU HG- 4.50 (# 1293:21 Unique 2.33, 3.18 A)
&rst
ixpk= 1293, nxpk= 21, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 926, 927,
&end
#
# 63 GLU HA 63 GLU HG- 4.50 (# 1294:21 Unique 2.32, 3.17 A)
&rst
ixpk= 1294, nxpk= 21, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 926, 927,
&end
#
# 63 GLU HA 63 GLU HG+ 4.50 (# 1295:21 Unique 2.32, 3.17 A)
&rst
ixpk= 1295, nxpk= 21, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 926, 927,
&end
#
# 63 GLU HB- 63 GLU HG- 3.50 (# 1297:21 Unique 2.26, 2.59 A)
&rst
ixpk= 1297, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 923, 924,
igr2= 926, 927,
&end
#
# 63 GLU HB- 63 GLU HG+ 2.80 (# 1299:21 Unique 2.26, 2.59 A)
&rst
ixpk= 1299, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 923, 924,
igr2= 926, 927,
&end
#
# 62 ALA MB 63 GLU HG- 6.00 (# 1300:21 Unique 3.41, 5.44 A)
&rst
ixpk= 1300, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 913, 914, 915,
igr2= 926, 927,
&end
#
# 62 ALA MB 63 GLU HG+ 6.00 (# 1301:21 Unique 3.41, 5.44 A)
&rst
ixpk= 1301, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 913, 914, 915,
igr2= 926, 927,
&end
#
# 59 ILE MD1 63 GLU HG+ 4.50 (# 1302:21 Unique 3.35, 5.06 A)
&rst
ixpk= 1302, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 874, 875, 876,
igr2= 926, 927,
&end
#
# 59 ILE MD1 63 GLU HG- 6.00 (# 1303:21 Unique 3.35, 5.06 A)
&rst
ixpk= 1303, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 874, 875, 876,
igr2= 926, 927,
&end
#
# 68 LEU HN 64 ALA HA 6.00 (# 1304:21 Unique 3.86, 4.04 A)
&rst
ixpk= 1304, nxpk= 21, iat= 994, 936, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 ALA HN 64 ALA HA 4.50 (# 1305:21 Unique 2.76, 2.79 A)
&rst
ixpk= 1305, nxpk= 21, iat= 934, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 ARG HN 64 ALA HA 6.00 (# 1306:21 Unique 3.50, 3.54 A)
&rst
ixpk= 1306, nxpk= 21, iat= 944, 936, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 THR HB 64 ALA HA 6.00 (# 1307:21 Unique 2.78, 2.84 A)
&rst
ixpk= 1307, nxpk= 21, iat= 984, 936, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PRO HD+ 64 ALA HA 6.00 (# 1308:21 Unique 4.22, 4.57 A)
&rst
ixpk= 1308, nxpk= 21, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 75, 76,
&end
#
# 6 PRO HB- 64 ALA HA 4.50 (# 1309:21 Unique 2.70, 2.97 A)
&rst
ixpk= 1309, nxpk= 21, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 81, 82,
&end
#
# 6 PRO HG+ 64 ALA HA 4.50 (# 1310:21 Unique 1.99, 2.60 A)
&rst
ixpk= 1310, nxpk= 21, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 78, 79,
&end
#
# 6 PRO HG- 64 ALA HA 4.50 (# 1311:21 Unique 1.99, 2.60 A)
&rst
ixpk= 1311, nxpk= 21, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 78, 79,
&end
#
# 64 ALA MB 64 ALA HA 2.80 (# 1312:21 Unique 2.26, 2.63 A)
&rst
ixpk= 1312, nxpk= 21, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 938, 939, 940,
&end
#
# 67 THR MG2 64 ALA HA 6.00 (# 1313:21 Unique 4.56, 5.21 A)
&rst
ixpk= 1313, nxpk= 21, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 986, 987, 988,
&end
#
# 0 AMB 21-2:1314 64 ALA HA 6.00 (# 1314:21 Single Ambig)
&rst
ixpk= 1314, nxpk= 21, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 982, 996,
&end
#
# 64 ALA HN 64 ALA MB 2.80 (# 1315:21 Unique 2.17, 2.88 A)
&rst
ixpk= 1315, nxpk= 21, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 938, 939, 940,
&end
#
# 65 ARG HN 64 ALA MB 3.50 (# 1316:21 Unique 2.40, 3.39 A)
&rst
ixpk= 1316, nxpk= 21, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 938, 939, 940,
&end
#
# 61 GLU HN 64 ALA MB 6.00 (# 1317:21 Unique 5.18, 6.28 A)
&rst
ixpk= 1317, nxpk= 21, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 938, 939, 940,
&end
#
# 0 AMB 21-2:1318 64 ALA MB 6.00 (# 1318:21 Single Ambig)
&rst
ixpk= 1318, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 680, 685,
igr2= 938, 939, 940,
&end
#
# 47 TRP HE3 64 ALA MB 4.50 (# 1319:21 Unique 2.16, 2.72 A)
&rst
ixpk= 1319, nxpk= 21, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 938, 939, 940,
&end
#
# 47 TRP HZ3 64 ALA MB 6.00 (# 1320:21 Unique 2.63, 3.80 A)
&rst
ixpk= 1320, nxpk= 21, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 938, 939, 940,
&end
#
# 6 PRO HA 64 ALA MB 6.00 (# 1321:21 Unique 4.23, 5.35 A)
&rst
ixpk= 1321, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 938, 939, 940,
&end
#
# 65 ARG HA 64 ALA MB 6.00 (# 1322:21 Unique 4.04, 4.78 A)
&rst
ixpk= 1322, nxpk= 21, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 938, 939, 940,
&end
#
# 64 ALA HA 64 ALA MB 2.80 (# 1323:21 Unique 2.26, 2.63 A)
&rst
ixpk= 1323, nxpk= 21, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 938, 939, 940,
&end
#
# 47 TRP HB+ 64 ALA MB 4.50 (# 1324:21 Unique 2.64, 3.76 A)
&rst
ixpk= 1324, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 676, 677,
igr2= 938, 939, 940,
&end
#
# 47 TRP HB- 64 ALA MB 4.50 (# 1325:21 Unique 2.64, 3.76 A)
&rst
ixpk= 1325, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 676, 677,
igr2= 938, 939, 940,
&end
#
# 61 GLU HA 64 ALA MB 3.50 (# 1326:21 Unique 2.85, 3.83 A)
&rst
ixpk= 1326, nxpk= 21, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 938, 939, 940,
&end
#
# 6 PRO HB+ 64 ALA MB 3.50 (# 1327:21 Unique 2.00, 3.38 A)
&rst
ixpk= 1327, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 81, 82,
igr2= 938, 939, 940,
&end
#
# 0 AMB 21-2:1328 64 ALA MB 4.50 (# 1328:21 Single Ambig)
&rst
ixpk= 1328, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 948, 949, 923, 924, 998, 999,
igr2= 938, 939, 940,
&end
#
# 68 LEU HG 64 ALA MB 6.00 (# 1329:21 Unique 3.36, 4.63 A)
&rst
ixpk= 1329, nxpk= 21, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 938, 939, 940,
&end
#
# 6 PRO HB- 64 ALA MB 3.50 (# 1330:21 Unique 2.00, 3.38 A)
&rst
ixpk= 1330, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 81, 82,
igr2= 938, 939, 940,
&end
#
# 68 LEU HN 65 ARG HA 6.00 (# 1331:21 Unique 3.17, 3.36 A)
&rst
ixpk= 1331, nxpk= 21, iat= 994, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:1332 65 ARG HA 6.00 (# 1332:21 Single Ambig)
&rst
ixpk= 1332, nxpk= 21, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1013, 934,
&end
#
# 65 ARG HN 65 ARG HA 4.50 (# 1333:21 Unique 2.77, 2.81 A)
&rst
ixpk= 1333, nxpk= 21, iat= 944, 946, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 ASP HA 65 ARG HA 6.00 (# 1334:21 Unique 4.69, 4.74 A)
&rst
ixpk= 1334, nxpk= 21, iat= 970, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:1335 65 ARG HA 6.00 (# 1335:21 Single Ambig)
&rst
ixpk= 1335, nxpk= 21, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 996, 982,
&end
#
# 0 AMB 21-2:1336 65 ARG HA 4.50 (# 1336:21 Single Ambig)
&rst
ixpk= 1336, nxpk= 21, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 954, 955, 954, 955,
&end
#
# 65 ARG HB+ 65 ARG HA 2.80 (# 1337:21 Unique 2.37, 2.73 A)
&rst
ixpk= 1337, nxpk= 21, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 948, 949,
&end
#
# 68 LEU HB- 65 ARG HA 3.50 (# 1338:21 Unique 2.33, 3.23 A)
&rst
ixpk= 1338, nxpk= 21, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 998, 999,
&end
#
# 68 LEU MDX 65 ARG HA 4.50 (# 1339:21 Unique 2.00, 4.23 A)
&rst
ixpk= 1339, nxpk= 21, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1003,1004,1005,1007,1008,1009,
&end
#
# 64 ALA MB 65 ARG HA 6.00 (# 1340:21 Unique 4.04, 4.78 A)
&rst
ixpk= 1340, nxpk= 21, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 938, 939, 940,
&end
#
# 65 ARG HN 65 ARG HB+ 3.50 (# 1341:21 Unique 2.25, 2.83 A)
&rst
ixpk= 1341, nxpk= 21, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 948, 949,
&end
#
# 65 ARG HN 65 ARG HB- 3.50 (# 1342:21 Unique 2.25, 2.83 A)
&rst
ixpk= 1342, nxpk= 21, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 948, 949,
&end
#
# 62 ALA HA 65 ARG HB+ 4.50 (# 1343:21 Unique 2.77, 3.61 A)
&rst
ixpk= 1343, nxpk= 21, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 948, 949,
&end
#
# 62 ALA HA 65 ARG HB- 4.50 (# 1344:21 Unique 2.77, 3.61 A)
&rst
ixpk= 1344, nxpk= 21, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 948, 949,
&end
#
# 65 ARG HA 65 ARG HB- 4.50 (# 1345:21 Unique 2.37, 2.73 A)
&rst
ixpk= 1345, nxpk= 21, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 948, 949,
&end
#
# 65 ARG HA 65 ARG HB+ 4.50 (# 1346:21 Unique 2.37, 2.73 A)
&rst
ixpk= 1346, nxpk= 21, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 948, 949,
&end
#
# 0 AMB 21-2:1347 65 ARG HB- 6.00 (# 1347:21 Single Ambig)
&rst
ixpk= 1347, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 954, 955, 954, 955,
igr2= 948, 949,
&end
#
# 0 AMB 21-2:1348 0 AMB 21-1:1348 4.50 (# 1348:21 Double Ambig)
&rst
ixpk= 1348, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 954, 955, 954, 955,
igr2= 948, 949, 948, 949,
&end
#
# 66 ASP HN 66 ASP HA 3.50 (# 1349:21 Unique 2.82, 2.85 A)
&rst
ixpk= 1349, nxpk= 21, iat= 968, 970, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 ALA HN 66 ASP HA 6.00 (# 1350:21 Unique 4.33, 4.73 A)
&rst
ixpk= 1350, nxpk= 21, iat=1025, 970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ASP HB- 66 ASP HA 2.80 (# 1351:21 Unique 2.63, 2.82 A)
&rst
ixpk= 1351, nxpk= 21, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 972, 973,
&end
#
# 0 AMB 21-2:1352 66 ASP HA 6.00 (# 1352:21 Single Ambig)
&rst
ixpk= 1352, nxpk= 21, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 948, 949, 998, 999,
&end
#
# 70 ALA MB 66 ASP HA 6.00 (# 1353:21 Unique 4.70, 6.04 A)
&rst
ixpk= 1353, nxpk= 21, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1029,1030,1031,
&end
#
# 69 ASP HN 69 ASP HB+ 3.50 (# 1354:21 Unique 2.22, 2.61 A)
&rst
ixpk= 1354, nxpk= 21, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1017,1018,
&end
#
# 69 ASP HN 69 ASP HB- 2.80 (# 1355:21 Unique 2.22, 2.61 A)
&rst
ixpk= 1355, nxpk= 21, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1017,1018,
&end
#
# 66 ASP HN 66 ASP HB- 3.50 (# 1356:21 Unique 2.17, 2.58 A)
&rst
ixpk= 1356, nxpk= 21, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 972, 973,
&end
#
# 66 ASP HN 66 ASP HB+ 3.50 (# 1357:21 Unique 2.17, 2.58 A)
&rst
ixpk= 1357, nxpk= 21, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 972, 973,
&end
#
# 70 ALA HN 69 ASP HB+ 4.50 (# 1358:21 Unique 2.60, 3.30 A)
&rst
ixpk= 1358, nxpk= 21, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1017,1018,
&end
#
# 70 ALA HN 69 ASP HB- 4.50 (# 1359:21 Unique 2.60, 3.30 A)
&rst
ixpk= 1359, nxpk= 21, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1017,1018,
&end
#
# 69 ASP HA 69 ASP HB+ 2.80 (# 1360:21 Unique 2.61, 2.82 A)
&rst
ixpk= 1360, nxpk= 21, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1017,1018,
&end
#
# 0 AMB 21-2:1361 0 AMB 21-1:1361 2.80 (# 1361:21 Double Ambig)
&rst
ixpk= 1361, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1015, 970,
igr2=1017,1018, 972, 973,
&end
#
# 63 GLU HA 66 ASP HB+ 4.50 (# 1362:21 Unique 2.84, 3.21 A)
&rst
ixpk= 1362, nxpk= 21, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 972, 973,
&end
#
# 63 GLU HA 66 ASP HB- 4.50 (# 1363:21 Unique 2.84, 3.21 A)
&rst
ixpk= 1363, nxpk= 21, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 972, 973,
&end
#
# 70 ALA MB 0 AMB 21-1:1364 6.00 (# 1364:21 Single Ambig)
&rst
ixpk= 1364, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1029,1030,1031,
igr2=1017,1018, 972, 973,
&end
#
# 0 AMB 21-2:1365 0 AMB 21-1:1365 6.00 (# 1365:21 Double Ambig)
&rst
ixpk= 1365, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 998, 999,1029,1030,1031,
igr2=1017,1018,1017,1018,
&end
#
# 0 AMB 21-2:1366 0 AMB 21-1:1366 6.00 (# 1366:21 Double Ambig)
&rst
ixpk= 1366, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 948, 949, 998, 999, 923, 924,
igr2= 972, 973,1017,1018, 972, 973,
&end
#
# 68 LEU HB+ 69 ASP HB+ 6.00 (# 1367:21 Unique 4.08, 4.96 A)
&rst
ixpk= 1367, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 998, 999,
igr2=1017,1018,
&end
#
# 68 LEU HN 67 THR HA 6.00 (# 1368:21 Unique 3.44, 3.49 A)
&rst
ixpk= 1368, nxpk= 21, iat= 994, 982, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 THR HN 67 THR HA 4.50 (# 1369:21 Unique 2.86, 2.90 A)
&rst
ixpk= 1369, nxpk= 21, iat= 980, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:1370 67 THR HA 6.00 (# 1370:21 Single Ambig)
&rst
ixpk= 1370, nxpk= 21, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 968,1054,
&end
#
# 70 ALA HN 67 THR HA 6.00 (# 1371:21 Unique 2.91, 3.04 A)
&rst
ixpk= 1371, nxpk= 21, iat=1025, 982, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 THR HB 67 THR HA 3.50 (# 1373:21 Unique 3.02, 3.02 A)
&rst
ixpk= 1373, nxpk= 21, iat= 984, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ALA HA 67 THR HA 6.00 (# 1374:21 Unique 5.49, 5.50 A)
&rst
ixpk= 1374, nxpk= 21, iat= 936, 982, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ASP HB- 67 THR HA 6.00 (# 1375:21 Unique 4.02, 4.81 A)
&rst
ixpk= 1375, nxpk= 21, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 972, 973,
&end
#
# 0 AMB 21-2:1376 67 THR HA 6.00 (# 1376:21 Single Ambig)
&rst
ixpk= 1376, nxpk= 21, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 998, 999, 923, 924,
&end
#
# 70 ALA MB 67 THR HA 3.50 (# 1377:21 Unique 2.00, 2.98 A)
&rst
ixpk= 1377, nxpk= 21, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1029,1030,1031,
&end
#
# 67 THR MG2 67 THR HA 3.50 (# 1378:21 Unique 2.37, 3.12 A)
&rst
ixpk= 1378, nxpk= 21, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 986, 987, 988,
&end
#
# 68 LEU HN 67 THR HB 4.50 (# 1379:21 Unique 2.72, 2.88 A)
&rst
ixpk= 1379, nxpk= 21, iat= 994, 984, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 THR HN 67 THR HB 3.50 (# 1380:21 Unique 2.48, 2.51 A)
&rst
ixpk= 1380, nxpk= 21, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 THR HA 67 THR HB 3.50 (# 1382:21 Unique 3.02, 3.02 A)
&rst
ixpk= 1382, nxpk= 21, iat= 982, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ALA HA 67 THR HB 4.50 (# 1383:21 Unique 2.78, 2.84 A)
&rst
ixpk= 1383, nxpk= 21, iat= 936, 984, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 PRO HG+ 67 THR HB 4.50 (# 1384:21 Unique 1.98, 2.76 A)
&rst
ixpk= 1384, nxpk= 21, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 78, 79,
&end
#
# 6 PRO HG- 67 THR HB 4.50 (# 1385:21 Unique 1.98, 2.76 A)
&rst
ixpk= 1385, nxpk= 21, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 78, 79,
&end
#
# 0 AMB 21-2:1386 67 THR HB 6.00 (# 1386:21 Single Ambig)
&rst
ixpk= 1386, nxpk= 21, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1029,1030,1031,1039,1040,
&end
#
# 67 THR MG2 67 THR HB 2.80 (# 1387:21 Unique 2.23, 2.64 A)
&rst
ixpk= 1387, nxpk= 21, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 986, 987, 988,
&end
#
# 0 AMB 21-2:1388 67 THR HB 6.00 (# 1388:21 Single Ambig)
&rst
ixpk= 1388, nxpk= 21, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1=1003,1004,1005,1007,1008,1009,1042,
&end
#
# 68 LEU HN 67 THR MG2 6.00 (# 1389:21 Unique 3.85, 4.56 A)
&rst
ixpk= 1389, nxpk= 21, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 986, 987, 988,
&end
#
# 67 THR HN 67 THR MG2 6.00 (# 1390:21 Unique 4.40, 4.56 A)
&rst
ixpk= 1390, nxpk= 21, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 986, 987, 988,
&end
#
# 5 VAL HA 67 THR MG2 6.00 (# 1391:21 Unique 3.09, 4.43 A)
&rst
ixpk= 1391, nxpk= 21, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 986, 987, 988,
&end
#
# 6 PRO HD+ 67 THR MG2 4.50 (# 1392:21 Unique 1.99, 3.59 A)
&rst
ixpk= 1392, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 75, 76,
igr2= 986, 987, 988,
&end
#
# 67 THR HB 67 THR MG2 2.80 (# 1393:21 Unique 2.23, 2.64 A)
&rst
ixpk= 1393, nxpk= 21, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 986, 987, 988,
&end
#
# 67 THR HA 67 THR MG2 2.80 (# 1394:21 Unique 2.37, 3.12 A)
&rst
ixpk= 1394, nxpk= 21, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 986, 987, 988,
&end
#
# 6 PRO HD- 67 THR MG2 4.50 (# 1395:21 Unique 1.99, 3.59 A)
&rst
ixpk= 1395, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 75, 76,
igr2= 986, 987, 988,
&end
#
# 6 PRO HG+ 67 THR MG2 4.50 (# 1396:21 Unique 2.39, 4.42 A)
&rst
ixpk= 1396, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 78, 79,
igr2= 986, 987, 988,
&end
#
# 6 PRO HB- 67 THR MG2 6.00 (# 1397:21 Unique 3.92, 5.67 A)
&rst
ixpk= 1397, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 81, 82,
igr2= 986, 987, 988,
&end
#
# 6 PRO HG- 67 THR MG2 4.50 (# 1398:21 Unique 2.39, 4.42 A)
&rst
ixpk= 1398, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 78, 79,
igr2= 986, 987, 988,
&end
#
# 68 LEU HN 68 LEU HA 4.50 (# 1399:21 Unique 2.75, 2.77 A)
&rst
ixpk= 1399, nxpk= 21, iat= 994, 996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 LEU HB- 68 LEU HA 2.80 (# 1400:21 Unique 2.58, 2.81 A)
&rst
ixpk= 1400, nxpk= 21, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 998, 999,
&end
#
# 67 THR MG2 68 LEU HA 6.00 (# 1401:21 Unique 3.70, 4.75 A)
&rst
ixpk= 1401, nxpk= 21, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 986, 987, 988,
&end
#
# 0 AMB 21-2:1402 68 LEU HA 2.80 (# 1402:21 Single Ambig)
&rst
ixpk= 1402, nxpk= 21, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1003,1004,1005,1007,1008,1009,1042,
&end
#
# 68 LEU HN 68 LEU HB+ 4.50 (# 1403:21 Unique 2.14, 2.85 A)
&rst
ixpk= 1403, nxpk= 21, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 998, 999,
&end
#
# 68 LEU HN 68 LEU HB- 4.50 (# 1404:21 Unique 2.14, 2.85 A)
&rst
ixpk= 1404, nxpk= 21, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 998, 999,
&end
#
# 69 ASP HN 68 LEU HB- 6.00 (# 1405:21 Unique 2.67, 3.09 A)
&rst
ixpk= 1405, nxpk= 21, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 998, 999,
&end
#
# 69 ASP HN 68 LEU HB+ 6.00 (# 1406:21 Unique 2.67, 3.09 A)
&rst
ixpk= 1406, nxpk= 21, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 998, 999,
&end
#
# 68 LEU HA 68 LEU HB- 4.50 (# 1407:21 Unique 2.58, 2.81 A)
&rst
ixpk= 1407, nxpk= 21, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 998, 999,
&end
#
# 68 LEU HA 68 LEU HB+ 4.50 (# 1408:21 Unique 2.58, 2.81 A)
&rst
ixpk= 1408, nxpk= 21, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 998, 999,
&end
#
# 65 ARG HA 68 LEU HB+ 4.50 (# 1409:21 Unique 2.33, 3.23 A)
&rst
ixpk= 1409, nxpk= 21, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 998, 999,
&end
#
# 65 ARG HA 68 LEU HB- 6.00 (# 1410:21 Unique 2.33, 3.23 A)
&rst
ixpk= 1410, nxpk= 21, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 998, 999,
&end
#
# 68 LEU MDX 68 LEU HB+ 2.80 (# 1413:21 Unique 2.00, 3.25 A)
&rst
ixpk= 1413, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1003,1004,1005,1007,1008,1009,
igr2= 998, 999,
&end
#
# 68 LEU MDY 68 LEU HB- 2.80 (# 1414:21 Unique 2.00, 3.25 A)
&rst
ixpk= 1414, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1003,1004,1005,1007,1008,1009,
igr2= 998, 999,
&end
#
# 68 LEU HN 68 LEU HG 4.50 (# 1415:21 Unique 2.58, 2.91 A)
&rst
ixpk= 1415, nxpk= 21, iat= 994,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 ASP HN 68 LEU HG 6.00 (# 1416:21 Unique 4.70, 4.82 A)
&rst
ixpk= 1416, nxpk= 21, iat=1013,1001, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 LEU HA 68 LEU HG 4.50 (# 1417:21 Unique 2.17, 2.62 A)
&rst
ixpk= 1417, nxpk= 21, iat= 996,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 PRO HG+ 68 LEU HG 6.00 (# 1418:21 Unique 2.08, 3.03 A)
&rst
ixpk= 1418, nxpk= 21, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 78, 79,
&end
#
# 68 LEU MDY 68 LEU HG 2.80 (# 1419:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1419, nxpk= 21, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1003,1004,1005,1007,1008,1009,
&end
#
# 47 TRP HH2 68 LEU MDX 6.00 (# 1420:21 Unique 3.31, 5.24 A)
&rst
ixpk= 1420, nxpk= 21, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 0 AMB 21-2:1421 68 LEU MDX 6.00 (# 1421:21 Single Ambig)
&rst
ixpk= 1421, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 689,1066,1067,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 68 LEU HA 68 LEU MDX 6.00 (# 1422:21 Unique 2.00, 3.85 A)
&rst
ixpk= 1422, nxpk= 21, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 0 AMB 21-2:1423 0 AMB 21-1:1423 3.50 (# 1423:21 Double Ambig)
&rst
ixpk= 1423, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 998, 999, 78, 79,1324,1325,
igr2=1003,1004,1005,1007,1008,1009,1233,1234,1235,1237,
1238,1239,
&end
#
# 68 LEU HN 68 LEU MDY 6.00 (# 1424:21 Unique 3.19, 4.63 A)
&rst
ixpk= 1424, nxpk= 21, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 0 AMB 21-2:1425 68 LEU MDY 6.00 (# 1425:21 Single Ambig)
&rst
ixpk= 1425, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 689,1066,1067,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 5 VAL HA 68 LEU MDY 6.00 (# 1426:21 Unique 4.04, 6.51 A)
&rst
ixpk= 1426, nxpk= 21, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 6 PRO HD+ 68 LEU MDY 4.50 (# 1427:21 Unique 2.46, 5.67 A)
&rst
ixpk= 1427, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 75, 76,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 6 PRO HD- 68 LEU MDY 4.50 (# 1428:21 Unique 2.46, 5.67 A)
&rst
ixpk= 1428, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 75, 76,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 6 PRO HG+ 68 LEU MDY 6.00 (# 1429:21 Unique 2.06, 4.95 A)
&rst
ixpk= 1429, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 78, 79,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 6 PRO HB- 68 LEU MDY 4.50 (# 1430:21 Unique 3.87, 6.61 A)
&rst
ixpk= 1430, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 81, 82,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 68 LEU HB+ 68 LEU MDY 3.50 (# 1431:21 Unique 2.00, 3.25 A)
&rst
ixpk= 1431, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 998, 999,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 68 LEU HG 68 LEU MDY 2.80 (# 1432:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1432, nxpk= 21, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 68 LEU HA 68 LEU MDY 2.80 (# 1433:21 Unique 2.00, 3.85 A)
&rst
ixpk= 1433, nxpk= 21, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 69 ASP HN 69 ASP HA 4.50 (# 1434:21 Unique 2.83, 2.89 A)
&rst
ixpk= 1434, nxpk= 21, iat=1013,1015, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:1435 69 ASP HA 6.00 (# 1435:21 Single Ambig)
&rst
ixpk= 1435, nxpk= 21, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1025,1080,1081,
&end
#
# 69 ASP HB- 69 ASP HA 2.80 (# 1436:21 Unique 2.61, 2.82 A)
&rst
ixpk= 1436, nxpk= 21, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1017,1018,
&end
#
# 70 ALA HN 70 ALA HA 4.50 (# 1437:21 Unique 2.76, 2.82 A)
&rst
ixpk= 1437, nxpk= 21, iat=1025,1027, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ASN HB- 70 ALA HA 6.00 (# 1438:21 Unique 3.52, 4.62 A)
&rst
ixpk= 1438, nxpk= 21, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1075,1076,
&end
#
# 70 ALA MB 70 ALA HA 2.80 (# 1439:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1439, nxpk= 21, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1029,1030,1031,
&end
#
# 71 LEU HN 70 ALA MB 4.50 (# 1441:21 Unique 2.45, 3.40 A)
&rst
ixpk= 1441, nxpk= 21, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1029,1030,1031,
&end
#
# 72 GLN HN 70 ALA MB 6.00 (# 1442:21 Unique 4.67, 5.29 A)
&rst
ixpk= 1442, nxpk= 21, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1029,1030,1031,
&end
#
# 70 ALA HN 70 ALA MB 2.80 (# 1443:21 Unique 2.06, 2.89 A)
&rst
ixpk= 1443, nxpk= 21, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1029,1030,1031,
&end
#
# 69 ASP HA 70 ALA MB 6.00 (# 1444:21 Unique 5.50, 6.07 A)
&rst
ixpk= 1444, nxpk= 21, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1029,1030,1031,
&end
#
# 70 ALA HA 70 ALA MB 2.80 (# 1445:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1445, nxpk= 21, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1029,1030,1031,
&end
#
# 67 THR HA 70 ALA MB 3.50 (# 1446:21 Unique 2.00, 2.98 A)
&rst
ixpk= 1446, nxpk= 21, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1029,1030,1031,
&end
#
# 0 AMB 21-2:1447 70 ALA MB 6.00 (# 1447:21 Single Ambig)
&rst
ixpk= 1447, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1017,1018,1075,1076,
igr2=1029,1030,1031,
&end
#
# 71 LEU HN 71 LEU HA 6.00 (# 1448:21 Unique 2.76, 2.86 A)
&rst
ixpk= 1448, nxpk= 21, iat=1035,1037, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:1449 71 LEU HA 4.50 (# 1449:21 Single Ambig)
&rst
ixpk= 1449, nxpk= 21, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
&end
#
# 71 LEU HN 71 LEU HB+ 4.50 (# 1450:21 Unique 2.42, 3.12 A)
&rst
ixpk= 1450, nxpk= 21, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1039,1040,
&end
#
# 60 ASN HN 63 GLU HB+ 4.50 (# 1451:21 Unique 2.39, 3.45 A)
&rst
ixpk= 1451, nxpk= 21, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 923, 924,
&end
#
# 71 LEU HN 71 LEU HB- 6.00 (# 1452:21 Unique 2.42, 3.12 A)
&rst
ixpk= 1452, nxpk= 21, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1039,1040,
&end
#
# 71 LEU HA 71 LEU HB+ 4.50 (# 1453:21 Unique 2.37, 2.43 A)
&rst
ixpk= 1453, nxpk= 21, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1039,1040,
&end
#
# 0 AMB 21-2:1454 0 AMB 21-1:1454 4.50 (# 1454:21 Double Ambig)
&rst
ixpk= 1454, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 996, 53, 54, 53, 54, 982,
igr2=1039,1040,1039,1040,1039,1040,1039,1040,
&end
#
# 71 LEU HA 71 LEU HB- 4.50 (# 1455:21 Unique 2.37, 2.43 A)
&rst
ixpk= 1455, nxpk= 21, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1039,1040,
&end
#
# 71 LEU HG 71 LEU HB+ 2.80 (# 1458:21 Unique 2.59, 2.81 A)
&rst
ixpk= 1458, nxpk= 21, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1039,1040,
&end
#
# 72 GLN HN 71 LEU HG 6.00 (# 1459:21 Unique 2.28, 2.43 A)
&rst
ixpk= 1459, nxpk= 21, iat=1054,1042, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 VAL HA 71 LEU HG 6.00 (# 1460:21 Unique 4.69, 4.92 A)
&rst
ixpk= 1460, nxpk= 21, iat= 60,1042, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:1461 71 LEU HG 6.00 (# 1461:21 Single Ambig)
&rst
ixpk= 1461, nxpk= 21, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1037,1027,
&end
#
# 6 PRO HD+ 71 LEU HG 6.00 (# 1462:21 Unique 4.29, 5.06 A)
&rst
ixpk= 1462, nxpk= 21, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 75, 76,
&end
#
# 68 LEU HA 71 LEU HG 6.00 (# 1463:21 Unique 2.29, 2.71 A)
&rst
ixpk= 1463, nxpk= 21, iat= 996,1042, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PRO HD- 71 LEU HG 6.00 (# 1464:21 Unique 4.29, 5.06 A)
&rst
ixpk= 1464, nxpk= 21, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 75, 76,
&end
#
# 71 LEU HB+ 71 LEU HG 3.50 (# 1465:21 Unique 2.59, 2.81 A)
&rst
ixpk= 1465, nxpk= 21, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1039,1040,
&end
#
# 72 GLN HN 0 AMB 21-1:1466 6.00 (# 1466:21 Single Ambig)
&rst
ixpk= 1466, nxpk= 21, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
&end
#
# 0 AMB 21-2:1467 0 AMB 21-1:1467 3.50 (# 1467:21 Double Ambig)
&rst
ixpk= 1467, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 984,1037,
igr2=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
&end
#
# 0 AMB 21-2:1468 0 AMB 21-1:1468 2.80 (# 1468:21 Double Ambig)
&rst
ixpk= 1468, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1039,1040,1039,1040,
igr2=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
&end
#
# 71 LEU HB- 0 AMB 21-1:1469 4.50 (# 1469:21 Single Ambig)
&rst
ixpk= 1469, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1039,1040,
igr2=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
&end
#
# 72 GLN HG+ 72 GLN HA 3.50 (# 1470:21 Unique 2.10, 2.86 A)
&rst
ixpk= 1470, nxpk= 21, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1061,1062,
&end
#
# 0 AMB 21-2:1471 72 GLN HA 2.80 (# 1471:21 Single Ambig)
&rst
ixpk= 1471, nxpk= 21, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1058,1059,1058,1059,
&end
#
# 46 GLN HE2+ 43 ARG HA 6.00 (# 1472:21 Unique 1.99, 3.39 A)
&rst
ixpk= 1472, nxpk= 21, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 667, 668,
&end
#
# 43 ARG HN 43 ARG HA 2.80 (# 1473:21 Unique 2.87, 2.89 A)
&rst
ixpk= 1473, nxpk= 21, iat= 608, 610, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 ASP HA 0 AMB 21-1:1475 4.50 (# 1475:21 Single Ambig)
&rst
ixpk= 1475, nxpk= 21, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1058,1059,1058,1059,
&end
#
# 72 GLN HA 0 AMB 21-1:1476 2.80 (# 1476:21 Single Ambig)
&rst
ixpk= 1476, nxpk= 21, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1058,1059,1058,1059,
&end
#
# 0 AMB 21-2:1477 0 AMB 21-1:1477 2.80 (# 1477:21 Double Ambig)
&rst
ixpk= 1477, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1061,1062,1061,1062,
igr2=1058,1059,1058,1059,
&end
#
# 0 AMB 21-2:1478 0 AMB 21-1:1478 4.50 (# 1478:21 Double Ambig)
&rst
ixpk= 1478, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
igr2=1058,1059,1058,1059,1058,1059,
&end
#
# 72 GLN HE2+ 72 GLN HG- 6.00 (# 1481:21 Unique 2.12, 3.20 A)
&rst
ixpk= 1481, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1066,1067,
igr2=1061,1062,
&end
#
# 72 GLN HE2+ 72 GLN HG+ 6.00 (# 1482:21 Unique 2.12, 3.20 A)
&rst
ixpk= 1482, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1066,1067,
igr2=1061,1062,
&end
#
# 72 GLN HE2- 72 GLN HG- 6.00 (# 1483:21 Unique 2.12, 3.20 A)
&rst
ixpk= 1483, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1066,1067,
igr2=1061,1062,
&end
#
# 72 GLN HE2- 72 GLN HG+ 6.00 (# 1484:21 Unique 2.12, 3.20 A)
&rst
ixpk= 1484, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1066,1067,
igr2=1061,1062,
&end
#
# 69 ASP HA 72 GLN HG- 6.00 (# 1485:21 Unique 2.61, 3.71 A)
&rst
ixpk= 1485, nxpk= 21, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1061,1062,
&end
#
# 69 ASP HA 72 GLN HG+ 6.00 (# 1486:21 Unique 2.61, 3.71 A)
&rst
ixpk= 1486, nxpk= 21, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1061,1062,
&end
#
# 72 GLN HA 72 GLN HG- 4.50 (# 1487:21 Unique 2.10, 2.86 A)
&rst
ixpk= 1487, nxpk= 21, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1061,1062,
&end
#
# 72 GLN HA 72 GLN HG+ 4.50 (# 1488:21 Unique 2.10, 2.86 A)
&rst
ixpk= 1488, nxpk= 21, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1061,1062,
&end
#
# 0 AMB 21-2:1489 72 GLN HG- 2.80 (# 1489:21 Single Ambig)
&rst
ixpk= 1489, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1058,1059,1058,1059,
igr2=1061,1062,
&end
#
# 0 AMB 21-2:1490 0 AMB 21-1:1490 2.80 (# 1490:21 Double Ambig)
&rst
ixpk= 1490, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1058,1059,1058,1059,
igr2=1061,1062,1061,1062,
&end
#
# 0 AMB 21-2:1491 72 GLN HG- 6.00 (# 1491:21 Single Ambig)
&rst
ixpk= 1491, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
igr2=1061,1062,
&end
#
# 76 ASP HN 76 ASP HA 4.50 (# 1492:21 Unique 2.76, 2.81 A)
&rst
ixpk= 1492, nxpk= 21, iat=1122,1124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ASN HN 73 ASN HA 3.50 (# 1493:21 Unique 2.78, 2.86 A)
&rst
ixpk= 1493, nxpk= 21, iat=1071,1073, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 21-2:1494 0 AMB 21-1:1494 2.80 (# 1494:21 Double Ambig)
&rst
ixpk= 1494, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1126,1127,1075,1076,
igr2=1124,1073,
&end
#
# 0 AMB 21-2:1495 76 ASP HA 6.00 (# 1495:21 Single Ambig)
&rst
ixpk= 1495, nxpk= 21, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
&end
#
# 39 ASN HD2- 39 ASN HB- 3.50 (# 1496:21 Unique 2.19, 3.38 A)
&rst
ixpk= 1496, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 565, 566,
igr2= 560, 561,
&end
#
# 73 ASN HN 73 ASN HB- 4.50 (# 1497:21 Unique 2.14, 2.90 A)
&rst
ixpk= 1497, nxpk= 21, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1075,1076,
&end
#
# 73 ASN HD2+ 73 ASN HB- 4.50 (# 1498:21 Unique 2.11, 3.30 A)
&rst
ixpk= 1498, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1080,1081,
igr2=1075,1076,
&end
#
# 73 ASN HD2+ 73 ASN HB+ 4.50 (# 1499:21 Unique 2.11, 3.30 A)
&rst
ixpk= 1499, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1080,1081,
igr2=1075,1076,
&end
#
# 73 ASN HD2- 73 ASN HB- 6.00 (# 1500:21 Unique 2.11, 3.30 A)
&rst
ixpk= 1500, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1080,1081,
igr2=1075,1076,
&end
#
# 0 AMB 21-2:1501 0 AMB 21-1:1501 4.50 (# 1501:21 Double Ambig)
&rst
ixpk= 1501, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 589, 590,1080,1081,
igr2= 560, 561,1075,1076,
&end
#
# 73 ASN HA 73 ASN HB- 4.50 (# 1502:21 Unique 2.47, 2.81 A)
&rst
ixpk= 1502, nxpk= 21, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1075,1076,
&end
#
# 73 ASN HA 73 ASN HB+ 4.50 (# 1503:21 Unique 2.47, 2.81 A)
&rst
ixpk= 1503, nxpk= 21, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1075,1076,
&end
#
# 0 AMB 21-2:1504 0 AMB 21-1:1504 6.00 (# 1504:21 Double Ambig)
&rst
ixpk= 1504, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1027, 572, 573,
igr2=1075,1076, 560, 561,
&end
#
# 70 ALA HA 73 ASN HB- 6.00 (# 1505:21 Unique 3.52, 4.62 A)
&rst
ixpk= 1505, nxpk= 21, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1075,1076,
&end
#
# 89 GLU HN 0 AMB 21-1:1506 4.50 (# 1506:21 Single Ambig)
&rst
ixpk= 1506, nxpk= 21, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1292,1307,
&end
#
# 88 GLU HN 88 GLU HA 4.50 (# 1507:21 Unique 2.28, 2.82 A)
&rst
ixpk= 1507, nxpk= 21, iat=1290,1292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:1508 0 AMB 21-1:1508 6.00 (# 1508:21 Double Ambig)
&rst
ixpk= 1508, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1312,1313,1312,1313,1297,1298,1297,1298,
igr2=1307,1292,
&end
#
# 88 GLU HB+ 88 GLU HA 3.50 (# 1509:21 Unique 2.38, 2.75 A)
&rst
ixpk= 1509, nxpk= 21, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1294,1295,
&end
#
# 71 LEU HA 0 AMB 21-1:1510 6.00 (# 1510:21 Single Ambig)
&rst
ixpk= 1510, nxpk= 21, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1089,1090,1089,1090,
&end
#
# 74 MET HA 0 AMB 21-1:1511 4.50 (# 1511:21 Single Ambig)
&rst
ixpk= 1511, nxpk= 21, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1089,1090,1089,1090,
&end
#
# 75 PHE HA 0 AMB 21-1:1512 6.00 (# 1512:21 Single Ambig)
&rst
ixpk= 1512, nxpk= 21, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1089,1090,1089,1090,
&end
#
# 74 MET HN 0 AMB 21-1:1513 4.50 (# 1513:21 Single Ambig)
&rst
ixpk= 1513, nxpk= 21, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1089,1090,1089,1090,
&end
#
# 75 PHE HN 0 AMB 21-1:1514 6.00 (# 1514:21 Single Ambig)
&rst
ixpk= 1514, nxpk= 21, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1089,1090,1089,1090,
&end
#
# 74 MET HN 74 MET HG- 6.00 (# 1516:21 Unique 2.47, 4.12 A)
&rst
ixpk= 1516, nxpk= 21, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1092,1093,
&end
#
# 74 MET HA 74 MET HG+ 6.00 (# 1517:21 Unique 2.06, 2.84 A)
&rst
ixpk= 1517, nxpk= 21, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1092,1093,
&end
#
# 74 MET HA 74 MET HG- 6.00 (# 1518:21 Unique 2.06, 2.84 A)
&rst
ixpk= 1518, nxpk= 21, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1092,1093,
&end
#
# 71 LEU HA 74 MET HG- 6.00 (# 1519:21 Unique 2.59, 4.80 A)
&rst
ixpk= 1519, nxpk= 21, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1092,1093,
&end
#
# 71 LEU HA 74 MET HG+ 6.00 (# 1520:21 Unique 2.59, 4.80 A)
&rst
ixpk= 1520, nxpk= 21, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1092,1093,
&end
#
# 0 AMB 21-2:1521 74 MET HG- 3.50 (# 1521:21 Single Ambig)
&rst
ixpk= 1521, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1089,1090,1089,1090,
igr2=1092,1093,
&end
#
# 0 AMB 21-2:1522 0 AMB 21-1:1522 2.80 (# 1522:21 Double Ambig)
&rst
ixpk= 1522, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1089,1090,1089,1090,
igr2=1092,1093,1092,1093,
&end
#
# 0 AMB 21-2:1523 0 AMB 21-1:1523 6.00 (# 1523:21 Double Ambig)
&rst
ixpk= 1523, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
igr2=1092,1093,1092,1093,
&end
#
# 0 AMB 21-2:1524 74 MET HG- 6.00 (# 1524:21 Single Ambig)
&rst
ixpk= 1524, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
igr2=1092,1093,
&end
#
# 75 PHE HD 75 PHE HB+ 4.50 (# 1525:21 Unique 2.28, 3.04 A)
&rst
ixpk= 1525, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1110,1118,
igr2=1106,1107,
&end
#
# 75 PHE HD 75 PHE HB- 4.50 (# 1526:21 Unique 2.28, 3.04 A)
&rst
ixpk= 1526, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1110,1118,
igr2=1106,1107,
&end
#
# 75 PHE HN 75 PHE HB+ 6.00 (# 1527:21 Unique 2.13, 2.66 A)
&rst
ixpk= 1527, nxpk= 21, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1106,1107,
&end
#
# 76 ASP HN 75 PHE HB+ 6.00 (# 1528:21 Unique 2.33, 3.43 A)
&rst
ixpk= 1528, nxpk= 21, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1106,1107,
&end
#
# 75 PHE HN 75 PHE HB- 4.50 (# 1529:21 Unique 2.13, 2.66 A)
&rst
ixpk= 1529, nxpk= 21, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1106,1107,
&end
#
# 75 PHE HA 75 PHE HB+ 4.50 (# 1530:21 Unique 2.36, 2.74 A)
&rst
ixpk= 1530, nxpk= 21, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1106,1107,
&end
#
# 0 AMB 21-2:1531 75 PHE HB- 6.00 (# 1531:21 Single Ambig)
&rst
ixpk= 1531, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
igr2=1106,1107,
&end
#
# 0 AMB 21-2:1532 0 AMB 21-1:1532 6.00 (# 1532:21 Double Ambig)
&rst
ixpk= 1532, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
igr2=1106,1107,1106,1107,
&end
#
# 0 AMB 21-2:1535 76 ASP HB- 6.00 (# 1535:21 Single Ambig)
&rst
ixpk= 1535, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
igr2=1126,1127,
&end
#
# 0 AMB 21-2:1536 0 AMB 21-1:1536 6.00 (# 1536:21 Double Ambig)
&rst
ixpk= 1536, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
igr2=1126,1127,1126,1127,
&end
#
# 76 ASP HA 76 ASP HB- 2.80 (# 1537:21 Unique 2.33, 2.72 A)
&rst
ixpk= 1537, nxpk= 21, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1126,1127,
&end
#
# 76 ASP HA 76 ASP HB+ 3.50 (# 1538:21 Unique 2.33, 2.72 A)
&rst
ixpk= 1538, nxpk= 21, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1126,1127,
&end
#
# 73 ASN HN 76 ASP HB+ 6.00 (# 1539:21 Unique 4.87, 7.04 A)
&rst
ixpk= 1539, nxpk= 21, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1126,1127,
&end
#
# 73 ASN HN 76 ASP HB- 6.00 (# 1540:21 Unique 4.87, 7.04 A)
&rst
ixpk= 1540, nxpk= 21, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1126,1127,
&end
#
# 76 ASP HN 76 ASP HB- 4.50 (# 1541:21 Unique 2.16, 2.83 A)
&rst
ixpk= 1541, nxpk= 21, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1126,1127,
&end
#
# 76 ASP HN 76 ASP HB+ 4.50 (# 1542:21 Unique 2.16, 2.83 A)
&rst
ixpk= 1542, nxpk= 21, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1126,1127,
&end
#
# 78 GLU HN 77 VAL HA 3.50 (# 1545:21 Unique 2.14, 2.88 A)
&rst
ixpk= 1545, nxpk= 21, iat=1150,1136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 VAL HN 77 VAL HA 6.00 (# 1546:21 Unique 2.77, 2.89 A)
&rst
ixpk= 1546, nxpk= 21, iat=1134,1136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 GLU HB- 77 VAL HA 6.00 (# 1547:21 Unique 4.19, 5.34 A)
&rst
ixpk= 1547, nxpk= 21, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1154,1155,
&end
#
# 77 VAL HB 77 VAL HA 4.50 (# 1548:21 Unique 2.37, 2.66 A)
&rst
ixpk= 1548, nxpk= 21, iat=1138,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:1549 77 VAL HA 4.50 (# 1549:21 Single Ambig)
&rst
ixpk= 1549, nxpk= 21, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
&end
#
# 78 GLU HN 77 VAL HB 4.50 (# 1550:21 Unique 1.96, 3.09 A)
&rst
ixpk= 1550, nxpk= 21, iat=1150,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 VAL HN 77 VAL HB 4.50 (# 1551:21 Unique 2.40, 3.16 A)
&rst
ixpk= 1551, nxpk= 21, iat=1134,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 VAL HA 77 VAL HB 4.50 (# 1552:21 Unique 2.37, 2.66 A)
&rst
ixpk= 1552, nxpk= 21, iat=1136,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 PRO HD+ 6 PRO HB- 6.00 (# 1553:21 Unique 2.98, 3.70 A)
&rst
ixpk= 1553, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 75, 76,
igr2= 81, 82,
&end
#
# 77 VAL HB 77 VAL MGX 2.80 (# 1554:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1554, nxpk= 21, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1140,1141,1142,1144,1145,1146,
&end
#
# 77 VAL HA 77 VAL MGX 4.50 (# 1555:21 Unique 2.19, 3.34 A)
&rst
ixpk= 1555, nxpk= 21, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1140,1141,1142,1144,1145,1146,
&end
#
# 77 VAL HN 77 VAL MGX 4.50 (# 1556:21 Unique 1.94, 3.51 A)
&rst
ixpk= 1556, nxpk= 21, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1140,1141,1142,1144,1145,1146,
&end
#
# 77 VAL HA 77 VAL MGY 4.50 (# 1557:21 Unique 2.19, 3.34 A)
&rst
ixpk= 1557, nxpk= 21, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1140,1141,1142,1144,1145,1146,
&end
#
# 78 GLU HN 78 GLU HA 4.50 (# 1558:21 Unique 2.27, 2.59 A)
&rst
ixpk= 1558, nxpk= 21, iat=1150,1152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 VAL HN 80 ASP HA 4.50 (# 1559:21 Unique 3.48, 3.55 A)
&rst
ixpk= 1559, nxpk= 21, iat=1191,1181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:1560 78 GLU HA 3.50 (# 1560:21 Single Ambig)
&rst
ixpk= 1560, nxpk= 21, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1166,1167,1166,1167,
&end
#
# 80 ASP HB+ 80 ASP HA 3.50 (# 1561:21 Unique 2.35, 2.68 A)
&rst
ixpk= 1561, nxpk= 21, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1183,1184,
&end
#
# 0 AMB 21-2:1562 78 GLU HA 4.50 (# 1562:21 Single Ambig)
&rst
ixpk= 1562, nxpk= 21, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1157,1158,1157,1158,
&end
#
# 78 GLU HB+ 78 GLU HA 4.50 (# 1563:21 Unique 2.30, 2.67 A)
&rst
ixpk= 1563, nxpk= 21, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1154,1155,
&end
#
# 25 GLN HG+ 25 GLN HB+ 2.80 (# 1566:21 Unique 2.30, 2.72 A)
&rst
ixpk= 1566, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 358, 359,
igr2= 355, 356,
&end
#
# 18 LYS HG+ 25 GLN HB+ 6.00 (# 1567:21 Unique 2.13, 4.17 A)
&rst
ixpk= 1567, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 255, 256,
igr2= 355, 356,
&end
#
# 78 GLU HN 0 AMB 21-1:1568 6.00 (# 1568:21 Single Ambig)
&rst
ixpk= 1568, nxpk= 21, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1157,1158,1157,1158,
&end
#
# 77 VAL HN 0 AMB 21-1:1569 4.50 (# 1569:21 Single Ambig)
&rst
ixpk= 1569, nxpk= 21, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1157,1158,1157,1158,
&end
#
# 78 GLU HA 0 AMB 21-1:1570 4.50 (# 1570:21 Single Ambig)
&rst
ixpk= 1570, nxpk= 21, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1157,1158,1157,1158,
&end
#
# 0 AMB 21-2:1571 0 AMB 21-1:1571 6.00 (# 1571:21 Double Ambig)
&rst
ixpk= 1571, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1166,1167,1166,1167,1166,1167,
igr2=1157,1158,1157,1158,1157,1158,
&end
#
# 0 AMB 21-2:1572 0 AMB 21-1:1572 6.00 (# 1572:21 Double Ambig)
&rst
ixpk= 1572, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.74, r4=14.24,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,1197,1198,1199,1201,1202,1203,
igr2=1157,1158,1157,1158,1157,1158,1157,1158,
&end
#
# 80 ASP HN 79 PRO HA 4.50 (# 1573:21 Unique 2.16, 2.66 A)
&rst
ixpk= 1573, nxpk= 21, iat=1179,1175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:1574 79 PRO HA 6.00 (# 1574:21 Single Ambig)
&rst
ixpk= 1574, nxpk= 21, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1209,1210,1166,1167,1166,1167,
&end
#
# 82 GLY HA+ 79 PRO HA 6.00 (# 1575:21 Unique 3.01, 5.14 A)
&rst
ixpk= 1575, nxpk= 21, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1209,1210,
&end
#
# 79 PRO HB+ 79 PRO HA 4.50 (# 1576:21 Unique 2.30, 2.51 A)
&rst
ixpk= 1576, nxpk= 21, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1172,1173,
&end
#
# 79 PRO HB- 79 PRO HA 4.50 (# 1578:21 Unique 2.30, 2.51 A)
&rst
ixpk= 1578, nxpk= 21, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1172,1173,
&end
#
# 0 AMB 21-2:1579 0 AMB 21-1:1579 6.00 (# 1579:21 Double Ambig)
&rst
ixpk= 1579, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1209,1210,1166,1167,
igr2=1172,1173,1172,1173,
&end
#
# 0 AMB 21-2:1580 79 PRO HB- 6.00 (# 1580:21 Single Ambig)
&rst
ixpk= 1580, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1209,1210,1166,1167,
igr2=1172,1173,
&end
#
# 79 PRO HA 79 PRO HB+ 4.50 (# 1581:21 Unique 2.30, 2.51 A)
&rst
ixpk= 1581, nxpk= 21, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1172,1173,
&end
#
# 79 PRO HA 79 PRO HB- 4.50 (# 1582:21 Unique 2.30, 2.51 A)
&rst
ixpk= 1582, nxpk= 21, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1172,1173,
&end
#
# 0 AMB 21-2:1584 0 AMB 21-1:1584 2.80 (# 1584:21 Double Ambig)
&rst
ixpk= 1584, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1169,1170,1169,1170,
igr2=1172,1173,1172,1173,
&end
#
# 79 PRO HA 0 AMB 21-1:1585 6.00 (# 1585:21 Single Ambig)
&rst
ixpk= 1585, nxpk= 21, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1169,1170,1169,1170,
&end
#
# 0 AMB 21-2:1586 0 AMB 21-1:1586 6.00 (# 1586:21 Double Ambig)
&rst
ixpk= 1586, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1181,1152,
igr2=1169,1170,1169,1170,1169,1170,
&end
#
# 0 AMB 21-2:1587 0 AMB 21-1:1587 2.80 (# 1587:21 Double Ambig)
&rst
ixpk= 1587, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1209,1210,1166,1167,1166,1167,
igr2=1169,1170,1169,1170,1169,1170,
&end
#
# 78 GLU HN 0 AMB 21-1:1589 6.00 (# 1589:21 Single Ambig)
&rst
ixpk= 1589, nxpk= 21, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1166,1167,1166,1167,
&end
#
# 78 GLU HA 0 AMB 21-1:1590 3.50 (# 1590:21 Single Ambig)
&rst
ixpk= 1590, nxpk= 21, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1166,1167,1166,1167,
&end
#
# 0 AMB 21-2:1591 0 AMB 21-1:1591 4.50 (# 1591:21 Double Ambig)
&rst
ixpk= 1591, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1172,1173,1172,1173,
igr2=1166,1167,1166,1167,
&end
#
# 0 AMB 21-2:1592 0 AMB 21-1:1592 2.80 (# 1592:21 Double Ambig)
&rst
ixpk= 1592, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1169,1170,1169,1170,1169,1170,1089,1090,1089,1090,
igr2=1166,1167,1166,1167,1166,1167,1166,1167,
&end
#
# 81 VAL MGX 0 AMB 21-1:1593 6.00 (# 1593:21 Single Ambig)
&rst
ixpk= 1593, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1197,1198,1199,1201,1202,1203,
igr2=1166,1167,1166,1167,
&end
#
# 82 GLY HN 81 VAL HA 6.00 (# 1596:21 Unique 3.36, 3.45 A)
&rst
ixpk= 1596, nxpk= 21, iat=1207,1193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 VAL HN 81 VAL HA 6.00 (# 1597:21 Unique 2.76, 2.82 A)
&rst
ixpk= 1597, nxpk= 21, iat=1191,1193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 VAL HB 81 VAL HA 4.50 (# 1598:21 Unique 2.42, 2.48 A)
&rst
ixpk= 1598, nxpk= 21, iat=1195,1193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 VAL MGY 81 VAL HA 2.80 (# 1599:21 Unique 2.21, 3.46 A)
&rst
ixpk= 1599, nxpk= 21, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1197,1198,1199,1201,1202,1203,
&end
#
# 82 GLY HN 81 VAL HB 4.50 (# 1600:21 Unique 3.86, 3.95 A)
&rst
ixpk= 1600, nxpk= 21, iat=1207,1195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 VAL HN 81 VAL HB 4.50 (# 1601:21 Unique 3.60, 3.62 A)
&rst
ixpk= 1601, nxpk= 21, iat=1191,1195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 VAL HA 81 VAL HB 4.50 (# 1603:21 Unique 2.42, 2.48 A)
&rst
ixpk= 1603, nxpk= 21, iat=1193,1195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 VAL MGY 81 VAL HB 2.80 (# 1604:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1604, nxpk= 21, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1197,1198,1199,1201,1202,1203,
&end
#
# 81 VAL HN 81 VAL MGX 4.50 (# 1605:21 Unique 1.96, 3.04 A)
&rst
ixpk= 1605, nxpk= 21, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1197,1198,1199,1201,1202,1203,
&end
#
# 81 VAL HB 81 VAL MGX 3.50 (# 1606:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1606, nxpk= 21, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1197,1198,1199,1201,1202,1203,
&end
#
# 0 AMB 21-2:1607 30 LEU MDY 3.50 (# 1607:21 Single Ambig)
&rst
ixpk= 1607, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 242, 243, 244, 811, 812, 813,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 83 ALA HN 82 GLY HA+ 4.50 (# 1608:21 Unique 2.69, 3.22 A)
&rst
ixpk= 1608, nxpk= 21, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1209,1210,
&end
#
# 83 ALA HN 82 GLY HA- 6.00 (# 1609:21 Unique 2.69, 3.22 A)
&rst
ixpk= 1609, nxpk= 21, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1209,1210,
&end
#
# 82 GLY HN 82 GLY HA+ 4.50 (# 1610:21 Unique 2.29, 2.57 A)
&rst
ixpk= 1610, nxpk= 21, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1209,1210,
&end
#
# 82 GLY HN 82 GLY HA- 4.50 (# 1611:21 Unique 2.29, 2.57 A)
&rst
ixpk= 1611, nxpk= 21, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1209,1210,
&end
#
# 85 LEU HB+ 82 GLY HA+ 6.00 (# 1614:21 Unique 2.22, 4.45 A)
&rst
ixpk= 1614, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1247,1248,
igr2=1209,1210,
&end
#
# 85 LEU HB+ 82 GLY HA- 6.00 (# 1615:21 Unique 2.22, 4.45 A)
&rst
ixpk= 1615, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1247,1248,
igr2=1209,1210,
&end
#
# 81 VAL MGY 82 GLY HA- 6.00 (# 1616:21 Unique 3.16, 5.68 A)
&rst
ixpk= 1616, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1197,1198,1199,1201,1202,1203,
igr2=1209,1210,
&end
#
# 0 AMB 21-2:1617 0 AMB 21-1:1617 6.00 (# 1617:21 Double Ambig)
&rst
ixpk= 1617, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1252,1253,1254,1256,1257,1258,1252,1253,1254,1256,
1257,1258,
igr2=1209,1210,1209,1210,
&end
#
# 81 VAL MGY 82 GLY HA+ 6.00 (# 1618:21 Unique 3.16, 5.68 A)
&rst
ixpk= 1618, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1197,1198,1199,1201,1202,1203,
igr2=1209,1210,
&end
#
# 85 LEU MDX 82 GLY HA- 6.00 (# 1619:21 Unique 2.13, 6.70 A)
&rst
ixpk= 1619, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1252,1253,1254,1256,1257,1258,
igr2=1209,1210,
&end
#
# 8 GLN HN 8 GLN HA 4.50 (# 1620:21 Unique 2.92, 2.93 A)
&rst
ixpk= 1620, nxpk= 21, iat= 95, 97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 ALA HN 83 ALA HA 4.50 (# 1621:21 Unique 2.79, 2.86 A)
&rst
ixpk= 1621, nxpk= 21, iat=1214,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ILE HA 8 GLN HA 6.00 (# 1622:21 Unique 4.35, 4.35 A)
&rst
ixpk= 1622, nxpk= 21, iat= 114, 97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 87 GLY HA- 83 ALA HA 6.00 (# 1623:21 Unique 2.64, 4.83 A)
&rst
ixpk= 1623, nxpk= 21, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1285,1286,
&end
#
# 83 ALA HN 83 ALA MB 4.50 (# 1624:21 Unique 2.07, 2.92 A)
&rst
ixpk= 1624, nxpk= 21, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1218,1219,1220,
&end
#
# 80 ASP HA 83 ALA MB 6.00 (# 1628:21 Unique 3.19, 4.54 A)
&rst
ixpk= 1628, nxpk= 21, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1218,1219,1220,
&end
#
# 83 ALA HA 83 ALA MB 3.50 (# 1629:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1629, nxpk= 21, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1218,1219,1220,
&end
#
# 84 LEU MDX 84 LEU HA 2.80 (# 1630:21 Unique 2.20, 4.22 A)
&rst
ixpk= 1630, nxpk= 21, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 84 LEU HB- 84 LEU HA 4.50 (# 1631:21 Unique 2.26, 2.57 A)
&rst
ixpk= 1631, nxpk= 21, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1228,1229,
&end
#
# 90 LYS HB+ 84 LEU HA 6.00 (# 1632:21 Unique 3.18, 5.52 A)
&rst
ixpk= 1632, nxpk= 21, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1324,1325,
&end
#
# 89 GLU HB- 84 LEU HA 4.50 (# 1633:21 Unique 2.20, 5.10 A)
&rst
ixpk= 1633, nxpk= 21, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1309,1310,
&end
#
# 0 AMB 21-2:1634 84 LEU HA 4.50 (# 1634:21 Single Ambig)
&rst
ixpk= 1634, nxpk= 21, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1320,1243,
&end
#
# 84 LEU HN 84 LEU HA 6.00 (# 1635:21 Unique 2.73, 2.88 A)
&rst
ixpk= 1635, nxpk= 21, iat=1224,1226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 LEU HN 84 LEU HB+ 6.00 (# 1636:21 Unique 2.73, 3.23 A)
&rst
ixpk= 1636, nxpk= 21, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1228,1229,
&end
#
# 85 LEU HN 84 LEU HB+ 6.00 (# 1637:21 Unique 2.10, 3.36 A)
&rst
ixpk= 1637, nxpk= 21, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1228,1229,
&end
#
# 84 LEU HA 84 LEU HB+ 6.00 (# 1638:21 Unique 2.26, 2.57 A)
&rst
ixpk= 1638, nxpk= 21, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1228,1229,
&end
#
# 81 VAL HA 84 LEU HB+ 6.00 (# 1639:21 Unique 2.93, 4.37 A)
&rst
ixpk= 1639, nxpk= 21, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1228,1229,
&end
#
# 84 LEU MDY 84 LEU HB+ 4.50 (# 1641:21 Unique 2.01, 3.27 A)
&rst
ixpk= 1641, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1233,1234,1235,1237,1238,1239,
igr2=1228,1229,
&end
#
# 84 LEU HN 84 LEU HG 6.00 (# 1642:21 Unique 1.84, 2.04 A)
&rst
ixpk= 1642, nxpk= 21, iat=1224,1231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 LEU HA 84 LEU HG 6.00 (# 1643:21 Unique 3.49, 3.56 A)
&rst
ixpk= 1643, nxpk= 21, iat=1226,1231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 MET HN 48 VAL MGY 4.50 (# 1645:21 Unique 3.02, 4.96 A)
&rst
ixpk= 1645, nxpk= 21, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 85 LEU HN 85 LEU HA 4.50 (# 1646:21 Unique 2.76, 2.84 A)
&rst
ixpk= 1646, nxpk= 21, iat=1243,1245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 LEU HB- 85 LEU HA 4.50 (# 1648:21 Unique 2.29, 2.80 A)
&rst
ixpk= 1648, nxpk= 21, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1247,1248,
&end
#
# 0 AMB 21-2:1649 85 LEU HA 3.50 (# 1649:21 Single Ambig)
&rst
ixpk= 1649, nxpk= 21, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1252,1253,1254,1256,1257,1258,1252,1253,1254,1256,
1257,1258,
&end
#
# 84 LEU HB- 85 LEU HA 4.50 (# 1650:21 Unique 3.86, 4.57 A)
&rst
ixpk= 1650, nxpk= 21, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1228,1229,
&end
#
# 85 LEU HN 85 LEU HB+ 4.50 (# 1651:21 Unique 2.05, 2.74 A)
&rst
ixpk= 1651, nxpk= 21, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1247,1248,
&end
#
# 85 LEU HN 85 LEU HB- 6.00 (# 1652:21 Unique 2.05, 2.74 A)
&rst
ixpk= 1652, nxpk= 21, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1247,1248,
&end
#
# 85 LEU HA 85 LEU HB+ 4.50 (# 1653:21 Unique 2.29, 2.80 A)
&rst
ixpk= 1653, nxpk= 21, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1247,1248,
&end
#
# 85 LEU HA 85 LEU HB- 6.00 (# 1654:21 Unique 2.29, 2.80 A)
&rst
ixpk= 1654, nxpk= 21, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1247,1248,
&end
#
# 0 AMB 21-2:1655 0 AMB 21-1:1655 4.50 (# 1655:21 Double Ambig)
&rst
ixpk= 1655, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1243, 968,
igr2=1250, 951, 952,
&end
#
# 85 LEU HA 85 LEU HG 6.00 (# 1656:21 Unique 2.23, 3.14 A)
&rst
ixpk= 1656, nxpk= 21, iat=1245,1250, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 LEU HA 85 LEU MDX 6.00 (# 1657:21 Unique 2.00, 3.53 A)
&rst
ixpk= 1657, nxpk= 21, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 86 TYR HE 85 LEU MDX 6.00 (# 1658:21 Unique 2.70, 8.22 A)
&rst
ixpk= 1658, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1272,1277,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 85 LEU HB+ 85 LEU MDX 3.50 (# 1659:21 Unique 2.02, 3.35 A)
&rst
ixpk= 1659, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1247,1248,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 85 LEU HA 85 LEU MDY 4.50 (# 1660:21 Unique 2.00, 3.53 A)
&rst
ixpk= 1660, nxpk= 21, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 85 LEU HB+ 85 LEU MDY 6.00 (# 1662:21 Unique 2.02, 3.35 A)
&rst
ixpk= 1662, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1247,1248,
igr2=1252,1253,1254,1256,1257,1258,
&end
#
# 85 LEU HN 87 GLY HA- 6.00 (# 1664:21 Unique 5.04, 6.32 A)
&rst
ixpk= 1664, nxpk= 21, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1285,1286,
&end
#
# 88 GLU HN 87 GLY HA- 6.00 (# 1665:21 Unique 2.14, 2.71 A)
&rst
ixpk= 1665, nxpk= 21, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1285,1286,
&end
#
# 0 AMB 21-2:1666 74 MET HA 6.00 (# 1666:21 Single Ambig)
&rst
ixpk= 1666, nxpk= 21, iat= -1,1087, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
&end
#
# 0 AMB 21-2:1667 74 MET HA 2.80 (# 1667:21 Single Ambig)
&rst
ixpk= 1667, nxpk= 21, iat= -1,1087, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1089,1090,1089,1090,
&end
#
# 74 MET HG+ 74 MET HA 4.50 (# 1668:21 Unique 2.06, 2.84 A)
&rst
ixpk= 1668, nxpk= 21, iat= -1,1087, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1092,1093,
&end
#
# 75 PHE HN 74 MET HA 4.50 (# 1670:21 Unique 3.32, 3.43 A)
&rst
ixpk= 1670, nxpk= 21, iat=1102,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:1672 0 AMB 21-1:1672 6.00 (# 1672:21 Double Ambig)
&rst
ixpk= 1672, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1292,1307,
igr2=1294,1295,1309,1310,
&end
#
# 0 AMB 21-2:1673 0 AMB 21-1:1673 6.00 (# 1673:21 Double Ambig)
&rst
ixpk= 1673, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1292,1307,
igr2=1294,1295,1309,1310,
&end
#
# 65 ARG HN 65 ARG HG+ 4.50 (# 1674:21 Unique 2.04, 3.51 A)
&rst
ixpk= 1674, nxpk= 21, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 951, 952,
&end
#
# 65 ARG HN 65 ARG HG- 4.50 (# 1675:21 Unique 2.04, 3.51 A)
&rst
ixpk= 1675, nxpk= 21, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 951, 952,
&end
#
# 65 ARG HA 65 ARG HG- 6.00 (# 1676:21 Unique 2.40, 2.89 A)
&rst
ixpk= 1676, nxpk= 21, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 951, 952,
&end
#
# 65 ARG HA 65 ARG HG+ 6.00 (# 1677:21 Unique 2.40, 2.89 A)
&rst
ixpk= 1677, nxpk= 21, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 951, 952,
&end
#
# 0 AMB 21-2:1678 0 AMB 21-1:1678 4.50 (# 1678:21 Double Ambig)
&rst
ixpk= 1678, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 954, 955, 954, 955,
igr2= 951, 952, 951, 952,
&end
#
# 0 AMB 21-2:1679 65 ARG HG- 4.50 (# 1679:21 Single Ambig)
&rst
ixpk= 1679, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 954, 955, 954, 955,
igr2= 951, 952,
&end
#
# 65 ARG HB+ 65 ARG HG+ 2.80 (# 1680:21 Unique 2.23, 2.72 A)
&rst
ixpk= 1680, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 948, 949,
igr2= 951, 952,
&end
#
# 65 ARG HB+ 65 ARG HG- 3.50 (# 1681:21 Unique 2.23, 2.72 A)
&rst
ixpk= 1681, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 948, 949,
igr2= 951, 952,
&end
#
# 65 ARG HA 0 AMB 21-1:1682 6.00 (# 1682:21 Single Ambig)
&rst
ixpk= 1682, nxpk= 21, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 954, 955, 954, 955,
&end
#
# 62 ALA HA 0 AMB 21-1:1683 6.00 (# 1683:21 Single Ambig)
&rst
ixpk= 1683, nxpk= 21, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 954, 955, 954, 955,
&end
#
# 65 ARG HE 0 AMB 21-1:1685 6.00 (# 1685:21 Single Ambig)
&rst
ixpk= 1685, nxpk= 21, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 954, 955, 954, 955,
&end
#
# 65 ARG HN 0 AMB 21-1:1686 6.00 (# 1686:21 Single Ambig)
&rst
ixpk= 1686, nxpk= 21, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 954, 955, 954, 955,
&end
#
# 0 AMB 21-2:1687 0 AMB 21-1:1687 6.00 (# 1687:21 Double Ambig)
&rst
ixpk= 1687, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 898, 899, 898, 899,
igr2= 954, 955, 954, 955,
&end
#
# 0 AMB 21-2:1688 0 AMB 21-1:1688 3.50 (# 1688:21 Double Ambig)
&rst
ixpk= 1688, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 948, 949, 948, 949,
igr2= 954, 955, 954, 955,
&end
#
# 65 ARG HG- 0 AMB 21-1:1689 3.50 (# 1689:21 Single Ambig)
&rst
ixpk= 1689, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 951, 952,
igr2= 954, 955, 954, 955,
&end
#
# 3 ILE HN 3 ILE HA 6.00 (# 1691:21 Unique 2.28, 2.75 A)
&rst
ixpk= 1691, nxpk= 21, iat= 32, 34, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ASP HB- 28 VAL HA 6.00 (# 1692:21 Unique 4.11, 4.71 A)
&rst
ixpk= 1692, nxpk= 21, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 424, 425,
&end
#
# 27 ASP HB- 28 VAL HA 6.00 (# 1693:21 Unique 4.28, 4.95 A)
&rst
ixpk= 1693, nxpk= 21, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 396, 397,
&end
#
# 3 ILE HN 3 ILE HB 6.00 (# 1694:21 Unique 2.30, 2.95 A)
&rst
ixpk= 1694, nxpk= 21, iat= 32, 36, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 GLY HN 3 ILE HB 6.00 (# 1695:21 Unique 2.08, 3.89 A)
&rst
ixpk= 1695, nxpk= 21, iat= 51, 36, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 ILE HA 3 ILE HB 4.50 (# 1696:21 Unique 2.42, 2.75 A)
&rst
ixpk= 1696, nxpk= 21, iat= 34, 36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:1697 3 ILE HB 4.50 (# 1697:21 Single Ambig)
&rst
ixpk= 1697, nxpk= 21, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 38, 39, 40, 45, 46, 47,
&end
#
# 0 AMB 21-2:1698 3 ILE HB 4.50 (# 1698:21 Single Ambig)
&rst
ixpk= 1698, nxpk= 21, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 737, 738, 739, 741, 742, 743, 42, 43,
&end
#
# 6 PRO HB- 67 THR HB 6.00 (# 1699:21 Unique 3.57, 4.25 A)
&rst
ixpk= 1699, nxpk= 21, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 81, 82,
&end
#
# 2 CYS HA 0 AMB 21-1:1701 6.00 (# 1701:21 Single Ambig)
&rst
ixpk= 1701, nxpk= 21, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 25, 26, 25, 26,
&end
#
# 0 AMB 21-2:1702 0 AMB 21-1:1702 6.00 (# 1702:21 Double Ambig)
&rst
ixpk= 1702, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1262,1283,
igr2=1266,1267,1266,1267,
&end
#
# 86 TYR HD 86 TYR HB+ 6.00 (# 1703:21 Unique 2.30, 3.06 A)
&rst
ixpk= 1703, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1270,1279,
igr2=1266,1267,
&end
#
# 86 TYR HA 86 TYR HB+ 4.50 (# 1704:21 Unique 2.23, 2.75 A)
&rst
ixpk= 1704, nxpk= 21, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1266,1267,
&end
#
# 86 TYR HA 86 TYR HB- 6.00 (# 1705:21 Unique 2.23, 2.75 A)
&rst
ixpk= 1705, nxpk= 21, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1266,1267,
&end
#
# 0 AMB 21-2:1707 86 TYR HB- 6.00 (# 1707:21 Single Ambig)
&rst
ixpk= 1707, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1262,1283,
igr2=1266,1267,
&end
#
# 86 TYR HD 86 TYR HB- 6.00 (# 1708:21 Unique 2.30, 3.06 A)
&rst
ixpk= 1708, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1270,1279,
igr2=1266,1267,
&end
#
# 83 ALA HA 86 TYR HB- 6.00 (# 1709:21 Unique 2.52, 4.34 A)
&rst
ixpk= 1709, nxpk= 21, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1266,1267,
&end
#
# 0 AMB 21-2:1710 0 AMB 21-1:1710 6.00 (# 1710:21 Double Ambig)
&rst
ixpk= 1710, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1209,1210,1285,1286,
igr2=1266,1267,1266,1267,
&end
#
# 0 AMB 21-2:1711 86 TYR HB- 6.00 (# 1711:21 Single Ambig)
&rst
ixpk= 1711, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1209,1210,1285,1286,1285,1286,
igr2=1266,1267,
&end
#
# 26 ARG HE 3 ILE HB 6.00 (# 1712:21 Unique 4.42, 7.59 A)
&rst
ixpk= 1712, nxpk= 21, iat= 381, 36, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 SER HN 48 VAL MGX 6.00 (# 1713:21 Unique 2.27, 4.71 A)
&rst
ixpk= 1713, nxpk= 21, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 19 VAL MGX 48 VAL MGX 3.50 (# 1714:21 Unique 1.98, 5.59 A)
&rst
ixpk= 1714, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 276, 277, 278, 280, 281, 282,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 21-2:1715 0 AMB 21-1:1715 6.00 (# 1715:21 Double Ambig)
&rst
ixpk= 1715, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 38, 39, 40, 45, 46, 47,
igr2= 42, 43, 42, 43,
&end
#
# 3 ILE HA 3 ILE HG1- 6.00 (# 1716:21 Unique 2.34, 3.21 A)
&rst
ixpk= 1716, nxpk= 21, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 42, 43,
&end
#
# 0 AMB 21-2:1717 3 ILE HG1- 6.00 (# 1717:21 Single Ambig)
&rst
ixpk= 1717, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 38, 39, 40, 45, 46, 47,
igr2= 42, 43,
&end
#
# 49 LEU MDY 0 AMB 21-1:1721 6.00 (# 1721:21 Single Ambig)
&rst
ixpk= 1721, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 721, 722, 723, 725, 726, 727,
igr2= 53, 54, 53, 54,
&end
#
# 0 AMB 21-2:1722 0 AMB 21-1:1722 6.00 (# 1722:21 Double Ambig)
&rst
ixpk= 1722, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 716, 717, 42, 43,
igr2= 53, 54, 53, 54, 53, 54,
&end
#
# 5 VAL HB 0 AMB 21-1:1723 6.00 (# 1723:21 Single Ambig)
&rst
ixpk= 1723, nxpk= 21, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 53, 54, 53, 54,
&end
#
# 25 GLN HE2- 25 GLN HG- 6.00 (# 1724:21 Unique 2.65, 3.52 A)
&rst
ixpk= 1724, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 363, 364,
igr2= 358, 359,
&end
#
# 3 ILE HA 5 VAL HB 6.00 (# 1725:21 Unique 5.12, 5.52 A)
&rst
ixpk= 1725, nxpk= 21, iat= 34, 62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LYS HG+ 25 GLN HG- 6.00 (# 1726:21 Unique 1.92, 4.38 A)
&rst
ixpk= 1726, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 255, 256,
igr2= 358, 359,
&end
#
# 18 LYS HB- 25 GLN HG- 6.00 (# 1727:21 Unique 2.11, 4.43 A)
&rst
ixpk= 1727, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 252, 253,
igr2= 358, 359,
&end
#
# 0 AMB 21-2:1728 25 GLN HG- 6.00 (# 1728:21 Single Ambig)
&rst
ixpk= 1728, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 138, 139, 138, 139,
igr2= 358, 359,
&end
#
# 25 GLN HB- 25 GLN HG- 2.80 (# 1729:21 Unique 2.30, 2.72 A)
&rst
ixpk= 1729, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 355, 356,
igr2= 358, 359,
&end
#
# 0 AMB 21-2:1730 5 VAL HB 6.00 (# 1730:21 Single Ambig)
&rst
ixpk= 1730, nxpk= 21, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 38, 39, 40, 45, 46, 47,
&end
#
# 6 PRO HD- 5 VAL HB 6.00 (# 1731:21 Unique 3.77, 4.44 A)
&rst
ixpk= 1731, nxpk= 21, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 75, 76,
&end
#
# 0 AMB 21-2:1732 67 THR MG2 6.00 (# 1732:21 Single Ambig)
&rst
ixpk= 1732, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1029,1030,1031,1039,1040,
igr2= 986, 987, 988,
&end
#
# 49 LEU MDY 67 THR MG2 3.50 (# 1733:21 Unique 2.72, 5.81 A)
&rst
ixpk= 1733, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 721, 722, 723, 725, 726, 727,
igr2= 986, 987, 988,
&end
#
# 47 TRP HE3 6 PRO HA 6.00 (# 1734:21 Unique 3.85, 4.20 A)
&rst
ixpk= 1734, nxpk= 21, iat= 691, 84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PRO HB- 6 PRO HA 4.50 (# 1735:21 Unique 2.30, 2.51 A)
&rst
ixpk= 1735, nxpk= 21, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 81, 82,
&end
#
# 0 AMB 21-2:1736 6 PRO HA 6.00 (# 1736:21 Single Ambig)
&rst
ixpk= 1736, nxpk= 21, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 64 ALA HA 6 PRO HA 6.00 (# 1737:21 Unique 4.98, 5.13 A)
&rst
ixpk= 1737, nxpk= 21, iat= 936, 84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:1738 0 AMB 21-1:1738 6.00 (# 1738:21 Double Ambig)
&rst
ixpk= 1738, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 984, 509,
igr2= 81, 82, 488,
&end
#
# 6 PRO HD+ 6 PRO HB+ 6.00 (# 1739:21 Unique 2.98, 3.70 A)
&rst
ixpk= 1739, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 75, 76,
igr2= 81, 82,
&end
#
# 6 PRO HG- 6 PRO HB+ 4.50 (# 1740:21 Unique 2.32, 2.58 A)
&rst
ixpk= 1740, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 78, 79,
igr2= 81, 82,
&end
#
# 6 PRO HG- 6 PRO HB- 2.80 (# 1741:21 Unique 2.32, 2.58 A)
&rst
ixpk= 1741, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 78, 79,
igr2= 81, 82,
&end
#
# 68 LEU HG 6 PRO HB- 4.50 (# 1742:21 Unique 3.69, 4.98 A)
&rst
ixpk= 1742, nxpk= 21, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 81, 82,
&end
#
# 30 LEU HB- 33 VAL HB 6.00 (# 1743:21 Unique 2.51, 4.79 A)
&rst
ixpk= 1743, nxpk= 21, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 436, 437,
&end
#
# 68 LEU HG 6 PRO HG+ 4.50 (# 1744:21 Unique 2.08, 3.03 A)
&rst
ixpk= 1744, nxpk= 21, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 78, 79,
&end
#
# 49 LEU HA 6 PRO HG- 6.00 (# 1745:21 Unique 4.78, 5.32 A)
&rst
ixpk= 1745, nxpk= 21, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 78, 79,
&end
#
# 49 LEU HA 6 PRO HG+ 6.00 (# 1746:21 Unique 4.78, 5.32 A)
&rst
ixpk= 1746, nxpk= 21, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 78, 79,
&end
#
# 6 PRO HA 6 PRO HD+ 6.00 (# 1747:21 Unique 3.60, 3.85 A)
&rst
ixpk= 1747, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 75, 76,
&end
#
# 6 PRO HA 6 PRO HD- 6.00 (# 1748:21 Unique 3.60, 3.85 A)
&rst
ixpk= 1748, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 75, 76,
&end
#
# 67 THR HB 6 PRO HD- 6.00 (# 1749:21 Unique 2.82, 3.44 A)
&rst
ixpk= 1749, nxpk= 21, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 75, 76,
&end
#
# 67 THR HB 6 PRO HD+ 6.00 (# 1750:21 Unique 2.82, 3.44 A)
&rst
ixpk= 1750, nxpk= 21, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 75, 76,
&end
#
# 47 TRP HE3 7 GLY HA- 6.00 (# 1752:21 Unique 2.77, 3.51 A)
&rst
ixpk= 1752, nxpk= 21, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 90, 91,
&end
#
# 83 ALA MB 83 ALA HA 3.50 (# 1753:21 Unique 2.22, 2.63 A)
&rst
ixpk= 1753, nxpk= 21, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1218,1219,1220,
&end
#
# 0 AMB 21-2:1754 0 AMB 21-1:1754 6.00 (# 1754:21 Double Ambig)
&rst
ixpk= 1754, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 702, 703, 704, 706, 707, 708,1233,1234,1235,1237,
1238,1239,
igr2= 97,1216,
&end
#
# 19 VAL MGX 8 GLN HA 6.00 (# 1755:21 Unique 3.65, 5.57 A)
&rst
ixpk= 1755, nxpk= 21, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 86 TYR HD 83 ALA HA 6.00 (# 1756:21 Unique 2.02, 5.68 A)
&rst
ixpk= 1756, nxpk= 21, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1270,1279,
&end
#
# 9 ILE HN 8 GLN HB+ 6.00 (# 1757:21 Unique 3.80, 4.09 A)
&rst
ixpk= 1757, nxpk= 21, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 99, 100,
&end
#
# 9 ILE HN 8 GLN HB- 6.00 (# 1758:21 Unique 3.80, 4.09 A)
&rst
ixpk= 1758, nxpk= 21, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 99, 100,
&end
#
# 47 TRP HD1 8 GLN HB+ 6.00 (# 1759:21 Unique 4.56, 5.13 A)
&rst
ixpk= 1759, nxpk= 21, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 99, 100,
&end
#
# 0 AMB 21-2:1761 0 AMB 21-1:1761 6.00 (# 1761:21 Double Ambig)
&rst
ixpk= 1761, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 107, 108, 689,
igr2= 99, 100, 99, 100,
&end
#
# 47 TRP HZ2 8 GLN HB- 6.00 (# 1762:21 Unique 2.91, 3.83 A)
&rst
ixpk= 1762, nxpk= 21, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 99, 100,
&end
#
# 0 AMB 21-2:1764 8 GLN HB- 6.00 (# 1764:21 Single Ambig)
&rst
ixpk= 1764, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 107, 108, 689,
igr2= 99, 100,
&end
#
# 47 TRP HA 8 GLN HB- 6.00 (# 1765:21 Unique 4.78, 5.17 A)
&rst
ixpk= 1765, nxpk= 21, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 99, 100,
&end
#
# 47 TRP HA 8 GLN HB+ 6.00 (# 1766:21 Unique 4.78, 5.17 A)
&rst
ixpk= 1766, nxpk= 21, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 99, 100,
&end
#
# 8 GLN HN 8 GLN HG+ 6.00 (# 1767:21 Unique 4.37, 4.55 A)
&rst
ixpk= 1767, nxpk= 21, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 8 GLN HN 8 GLN HG- 6.00 (# 1768:21 Unique 4.37, 4.55 A)
&rst
ixpk= 1768, nxpk= 21, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 47 TRP HA 8 GLN HG- 6.00 (# 1769:21 Unique 3.56, 4.32 A)
&rst
ixpk= 1769, nxpk= 21, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 47 TRP HA 8 GLN HG+ 6.00 (# 1770:21 Unique 3.56, 4.32 A)
&rst
ixpk= 1770, nxpk= 21, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 12 ILE MD1 9 ILE HA 6.00 (# 1771:21 Unique 4.99, 6.03 A)
&rst
ixpk= 1771, nxpk= 21, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 182, 183, 184,
&end
#
# 17 ALA MB 9 ILE HB 6.00 (# 1773:21 Unique 4.55, 5.07 A)
&rst
ixpk= 1773, nxpk= 21, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 242, 243, 244,
&end
#
# 0 AMB 21-2:1774 9 ILE HB 6.00 (# 1774:21 Single Ambig)
&rst
ixpk= 1774, nxpk= 21, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 182, 183, 184, 638, 639, 640, 642, 643, 644,
&end
#
# 46 GLN HN 9 ILE MG2 6.00 (# 1776:21 Unique 6.01, 6.76 A)
&rst
ixpk= 1776, nxpk= 21, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 118, 119, 120,
&end
#
# 44 VAL HN 9 ILE MG2 6.00 (# 1777:21 Unique 4.09, 5.25 A)
&rst
ixpk= 1777, nxpk= 21, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 118, 119, 120,
&end
#
# 17 ALA HA 9 ILE MG2 6.00 (# 1778:21 Unique 4.08, 4.70 A)
&rst
ixpk= 1778, nxpk= 21, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 118, 119, 120,
&end
#
# 10 ARG HN 9 ILE HG1- 6.00 (# 1779:21 Unique 4.67, 4.92 A)
&rst
ixpk= 1779, nxpk= 21, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 122, 123,
&end
#
# 10 ARG HN 9 ILE HG1+ 6.00 (# 1780:21 Unique 4.67, 4.92 A)
&rst
ixpk= 1780, nxpk= 21, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 122, 123,
&end
#
# 0 AMB 21-2:1781 9 ILE MD1 6.00 (# 1781:21 Single Ambig)
&rst
ixpk= 1781, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 436, 437, 439,
igr2= 125, 126, 127,
&end
#
# 0 AMB 21-2:1782 0 AMB 21-1:1782 6.00 (# 1782:21 Double Ambig)
&rst
ixpk= 1782, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 650, 651, 114,
igr2= 657, 133,
&end
#
# 0 AMB 21-2:1784 46 GLN HA 6.00 (# 1784:21 Single Ambig)
&rst
ixpk= 1784, nxpk= 21, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 851, 852, 853, 855, 856, 857, 612, 613,
&end
#
# 8 GLN HG- 10 ARG HA 4.50 (# 1785:21 Unique 3.37, 4.32 A)
&rst
ixpk= 1785, nxpk= 21, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 102, 103,
&end
#
# 9 ILE HA 0 AMB 21-1:1786 6.00 (# 1786:21 Single Ambig)
&rst
ixpk= 1786, nxpk= 21, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 135, 136, 135, 136,
&end
#
# 18 LYS HB- 0 AMB 21-1:1789 6.00 (# 1789:21 Single Ambig)
&rst
ixpk= 1789, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 252, 253,
igr2= 135, 136, 135, 136,
&end
#
# 0 AMB 21-2:1790 0 AMB 21-1:1790 2.80 (# 1790:21 Double Ambig)
&rst
ixpk= 1790, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 135, 136, 135, 136, 135, 136,
igr2= 138, 139, 138, 139, 138, 139,
&end
#
# 0 AMB 21-2:1792 11 THR HA 4.50 (# 1792:21 Single Ambig)
&rst
ixpk= 1792, nxpk= 21, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
&end
#
# 18 LYS HD- 11 THR HB 6.00 (# 1793:21 Unique 3.14, 3.99 A)
&rst
ixpk= 1793, nxpk= 21, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 258, 259,
&end
#
# 0 AMB 21-2:1794 11 THR HB 6.00 (# 1794:21 Single Ambig)
&rst
ixpk= 1794, nxpk= 21, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 135, 136, 135, 136, 355, 356,
&end
#
# 12 ILE HN 11 THR MG2 4.50 (# 1795:21 Unique 3.11, 3.79 A)
&rst
ixpk= 1795, nxpk= 21, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 161, 162, 163,
&end
#
# 13 ASP HA 12 ILE HA 6.00 (# 1796:21 Unique 4.40, 4.40 A)
&rst
ixpk= 1796, nxpk= 21, iat= 190, 171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 ILE HG1- 12 ILE HB 2.80 (# 1799:21 Unique 2.77, 2.85 A)
&rst
ixpk= 1799, nxpk= 21, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 179, 180,
&end
#
# 11 THR HA 12 ILE HB 6.00 (# 1800:21 Unique 4.57, 4.65 A)
&rst
ixpk= 1800, nxpk= 21, iat= 157, 173, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LEU MDY 0 AMB 21-1:1801 3.50 (# 1801:21 Single Ambig)
&rst
ixpk= 1801, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 441, 442, 443, 445, 446, 447,
igr2= 175, 176, 177, 490, 491, 492, 494, 495, 496,
&end
#
# 12 ILE HB 12 ILE MG2 4.50 (# 1802:21 Unique 2.24, 2.63 A)
&rst
ixpk= 1802, nxpk= 21, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 175, 176, 177,
&end
#
# 30 LEU MDY 12 ILE HG1- 6.00 (# 1803:21 Unique 3.41, 5.76 A)
&rst
ixpk= 1803, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 441, 442, 443, 445, 446, 447,
igr2= 179, 180,
&end
#
# 13 ASP HN 12 ILE HG1- 6.00 (# 1804:21 Unique 4.62, 4.91 A)
&rst
ixpk= 1804, nxpk= 21, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 13 ASP HN 12 ILE HG1+ 6.00 (# 1805:21 Unique 4.62, 4.91 A)
&rst
ixpk= 1805, nxpk= 21, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 18 LYS HN 12 ILE HG1+ 6.00 (# 1806:21 Unique 3.97, 4.67 A)
&rst
ixpk= 1806, nxpk= 21, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 44 VAL HB 12 ILE MD1 6.00 (# 1808:21 Unique 2.21, 3.82 A)
&rst
ixpk= 1808, nxpk= 21, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 182, 183, 184,
&end
#
# 30 LEU MDY 12 ILE MD1 6.00 (# 1809:21 Unique 5.48, 7.79 A)
&rst
ixpk= 1809, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 441, 442, 443, 445, 446, 447,
igr2= 182, 183, 184,
&end
#
# 9 ILE MG2 12 ILE MD1 4.50 (# 1810:21 Unique 2.81, 4.41 A)
&rst
ixpk= 1810, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 118, 119, 120,
igr2= 182, 183, 184,
&end
#
# 44 VAL HA 12 ILE MD1 6.00 (# 1811:21 Unique 1.97, 3.27 A)
&rst
ixpk= 1811, nxpk= 21, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 182, 183, 184,
&end
#
# 12 ILE MG2 13 ASP HB- 6.00 (# 1812:21 Unique 5.26, 6.45 A)
&rst
ixpk= 1812, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 175, 176, 177,
igr2= 192, 193,
&end
#
# 12 ILE MG2 13 ASP HB+ 6.00 (# 1813:21 Unique 5.26, 6.45 A)
&rst
ixpk= 1813, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 175, 176, 177,
igr2= 192, 193,
&end
#
# 0 AMB 21-2:1814 0 AMB 21-1:1814 6.00 (# 1814:21 Double Ambig)
&rst
ixpk= 1814, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 192, 193, 211, 212,
igr2= 202, 203, 202, 203,
&end
#
# 0 AMB 21-2:1815 14 GLY HA- 6.00 (# 1815:21 Single Ambig)
&rst
ixpk= 1815, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 192, 193, 211, 212,
igr2= 202, 203,
&end
#
# 15 ASN HN 15 ASN HB- 6.00 (# 1816:21 Unique 2.40, 3.06 A)
&rst
ixpk= 1816, nxpk= 21, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 211, 212,
&end
#
# 15 ASN HN 15 ASN HB+ 6.00 (# 1817:21 Unique 2.40, 3.06 A)
&rst
ixpk= 1817, nxpk= 21, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 211, 212,
&end
#
# 30 LEU HN 15 ASN HB+ 6.00 (# 1818:21 Unique 3.41, 4.10 A)
&rst
ixpk= 1818, nxpk= 21, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 211, 212,
&end
#
# 31 THR HN 15 ASN HB+ 6.00 (# 1819:21 Unique 3.91, 4.86 A)
&rst
ixpk= 1819, nxpk= 21, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 211, 212,
&end
#
# 30 LEU HN 15 ASN HB- 6.00 (# 1820:21 Unique 3.41, 4.10 A)
&rst
ixpk= 1820, nxpk= 21, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 211, 212,
&end
#
# 31 THR HN 15 ASN HB- 6.00 (# 1821:21 Unique 3.91, 4.86 A)
&rst
ixpk= 1821, nxpk= 21, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 211, 212,
&end
#
# 13 ASP HN 16 GLN HB+ 6.00 (# 1822:21 Unique 4.95, 5.38 A)
&rst
ixpk= 1822, nxpk= 21, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 225, 226,
&end
#
# 0 AMB 21-2:1823 0 AMB 21-1:1823 6.00 (# 1823:21 Double Ambig)
&rst
ixpk= 1823, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 192, 193, 192, 193,
igr2= 228, 229, 228, 229,
&end
#
# 11 THR HN 17 ALA HA 6.00 (# 1824:21 Unique 5.40, 5.49 A)
&rst
ixpk= 1824, nxpk= 21, iat= 155, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 GLN HB- 17 ALA HA 6.00 (# 1825:21 Unique 4.50, 5.07 A)
&rst
ixpk= 1825, nxpk= 21, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 225, 226,
&end
#
# 30 LEU MDY 17 ALA HA 6.00 (# 1826:21 Unique 3.32, 5.21 A)
&rst
ixpk= 1826, nxpk= 21, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 9 ILE MG2 17 ALA MB 2.80 (# 1829:21 Unique 1.97, 2.90 A)
&rst
ixpk= 1829, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 118, 119, 120,
igr2= 242, 243, 244,
&end
#
# 18 LYS HB- 18 LYS HA 4.50 (# 1830:21 Unique 2.71, 2.84 A)
&rst
ixpk= 1830, nxpk= 21, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 252, 253,
&end
#
# 0 AMB 21-2:1831 18 LYS HA 6.00 (# 1831:21 Single Ambig)
&rst
ixpk= 1831, nxpk= 21, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 11 THR HB 18 LYS HB+ 6.00 (# 1833:21 Unique 1.92, 2.26 A)
&rst
ixpk= 1833, nxpk= 21, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 252, 253,
&end
#
# 11 THR HB 18 LYS HB- 6.00 (# 1834:21 Unique 1.92, 2.26 A)
&rst
ixpk= 1834, nxpk= 21, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 252, 253,
&end
#
# 0 AMB 21-2:1835 0 AMB 21-1:1835 6.00 (# 1835:21 Double Ambig)
&rst
ixpk= 1835, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 270, 368,
igr2= 252, 253, 252, 253,
&end
#
# 0 AMB 21-2:1836 18 LYS HB- 6.00 (# 1836:21 Single Ambig)
&rst
ixpk= 1836, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 270, 368,
igr2= 252, 253,
&end
#
# 17 ALA HA 18 LYS HG+ 6.00 (# 1837:21 Unique 5.51, 6.06 A)
&rst
ixpk= 1837, nxpk= 21, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 255, 256,
&end
#
# 37 ASP HB- 43 ARG HG+ 6.00 (# 1838:21 Unique 2.89, 5.08 A)
&rst
ixpk= 1838, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 615, 616,
&end
#
# 43 ARG HD- 43 ARG HG+ 4.50 (# 1839:21 Unique 2.22, 2.67 A)
&rst
ixpk= 1839, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 618, 619,
igr2= 615, 616,
&end
#
# 42 PRO HA 43 ARG HG- 6.00 (# 1840:21 Unique 3.46, 4.16 A)
&rst
ixpk= 1840, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 615, 616,
&end
#
# 36 CYS HA 43 ARG HG- 6.00 (# 1841:21 Unique 2.39, 3.49 A)
&rst
ixpk= 1841, nxpk= 21, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 615, 616,
&end
#
# 36 CYS HA 43 ARG HG+ 6.00 (# 1842:21 Unique 2.39, 3.49 A)
&rst
ixpk= 1842, nxpk= 21, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 615, 616,
&end
#
# 42 PRO HA 43 ARG HG+ 6.00 (# 1843:21 Unique 3.46, 4.16 A)
&rst
ixpk= 1843, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 615, 616,
&end
#
# 43 ARG HE 43 ARG HG+ 6.00 (# 1844:21 Unique 2.11, 3.17 A)
&rst
ixpk= 1844, nxpk= 21, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 615, 616,
&end
#
# 43 ARG HE 43 ARG HG- 6.00 (# 1845:21 Unique 2.11, 3.17 A)
&rst
ixpk= 1845, nxpk= 21, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 615, 616,
&end
#
# 20 ASP HB+ 19 VAL MGX 6.00 (# 1847:21 Unique 4.58, 6.06 A)
&rst
ixpk= 1847, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 290, 291,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 9 ILE HB 19 VAL MGY 6.00 (# 1848:21 Unique 5.25, 7.55 A)
&rst
ixpk= 1848, nxpk= 21, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 25 GLN HB- 20 ASP HA 6.00 (# 1851:21 Unique 2.89, 3.76 A)
&rst
ixpk= 1851, nxpk= 21, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 355, 356,
&end
#
# 25 GLN HG- 20 ASP HB- 6.00 (# 1852:21 Unique 2.36, 3.88 A)
&rst
ixpk= 1852, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 358, 359,
igr2= 290, 291,
&end
#
# 0 AMB 21-2:1853 20 ASP HB- 6.00 (# 1853:21 Single Ambig)
&rst
ixpk= 1853, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 135, 136, 135, 136, 355, 356,
igr2= 290, 291,
&end
#
# 0 AMB 21-2:1854 0 AMB 21-1:1854 6.00 (# 1854:21 Double Ambig)
&rst
ixpk= 1854, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 135, 136, 135, 136, 355, 356,
igr2= 290, 291, 290, 291, 290, 291,
&end
#
# 25 GLN HG- 20 ASP HB+ 6.00 (# 1855:21 Unique 2.36, 3.88 A)
&rst
ixpk= 1855, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 358, 359,
igr2= 290, 291,
&end
#
# 19 VAL MGX 20 ASP HB+ 6.00 (# 1856:21 Unique 4.58, 6.06 A)
&rst
ixpk= 1856, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 276, 277, 278, 280, 281, 282,
igr2= 290, 291,
&end
#
# 19 VAL MGX 20 ASP HB- 6.00 (# 1857:21 Unique 4.58, 6.06 A)
&rst
ixpk= 1857, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 276, 277, 278, 280, 281, 282,
igr2= 290, 291,
&end
#
# 19 VAL MGY 20 ASP HB- 6.00 (# 1858:21 Unique 4.58, 6.06 A)
&rst
ixpk= 1858, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 276, 277, 278, 280, 281, 282,
igr2= 290, 291,
&end
#
# 19 VAL MGY 20 ASP HB+ 6.00 (# 1859:21 Unique 4.58, 6.06 A)
&rst
ixpk= 1859, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 276, 277, 278, 280, 281, 282,
igr2= 290, 291,
&end
#
# 7 GLY HA+ 21 VAL HA 6.00 (# 1860:21 Unique 3.41, 3.86 A)
&rst
ixpk= 1860, nxpk= 21, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 90, 91,
&end
#
# 21 VAL MGY 21 VAL HB 2.80 (# 1861:21 Unique 2.24, 2.63 A)
&rst
ixpk= 1861, nxpk= 21, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL MGX 21 VAL HB 3.50 (# 1862:21 Unique 2.24, 2.63 A)
&rst
ixpk= 1862, nxpk= 21, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 26 ARG HB+ 21 VAL MGX 6.00 (# 1863:21 Unique 2.79, 5.28 A)
&rst
ixpk= 1863, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 372, 373,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 19 VAL MGX 21 VAL MGX 3.50 (# 1864:21 Unique 2.31, 5.88 A)
&rst
ixpk= 1864, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 276, 277, 278, 280, 281, 282,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL HA 22 CYS HB+ 6.00 (# 1866:21 Unique 4.56, 5.01 A)
&rst
ixpk= 1866, nxpk= 21, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 318, 319,
&end
#
# 21 VAL HA 22 CYS HB- 6.00 (# 1867:21 Unique 4.56, 5.01 A)
&rst
ixpk= 1867, nxpk= 21, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 318, 319,
&end
#
# 24 ILE HG1- 23 GLY HA+ 6.00 (# 1868:21 Unique 5.10, 5.79 A)
&rst
ixpk= 1868, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 342, 343,
igr2= 327, 328,
&end
#
# 24 ILE HG1- 23 GLY HA- 6.00 (# 1869:21 Unique 5.10, 5.79 A)
&rst
ixpk= 1869, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 342, 343,
igr2= 327, 328,
&end
#
# 24 ILE MG2 23 GLY HA- 6.00 (# 1870:21 Unique 5.01, 6.18 A)
&rst
ixpk= 1870, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 338, 339, 340,
igr2= 327, 328,
&end
#
# 26 ARG HD- 24 ILE HA 6.00 (# 1871:21 Unique 5.39, 6.08 A)
&rst
ixpk= 1871, nxpk= 21, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 378, 379,
&end
#
# 25 GLN HG+ 24 ILE HA 6.00 (# 1872:21 Unique 5.04, 5.91 A)
&rst
ixpk= 1872, nxpk= 21, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 358, 359,
&end
#
# 25 GLN HN 24 ILE HB 6.00 (# 1873:21 Unique 4.25, 4.27 A)
&rst
ixpk= 1873, nxpk= 21, iat= 351, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 GLN HN 24 ILE MD1 6.00 (# 1874:21 Unique 1.94, 2.52 A)
&rst
ixpk= 1874, nxpk= 21, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 345, 346, 347,
&end
#
# 24 ILE HG1+ 24 ILE MD1 4.50 (# 1875:21 Unique 2.26, 2.62 A)
&rst
ixpk= 1875, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 342, 343,
igr2= 345, 346, 347,
&end
#
# 24 ILE HG1+ 24 ILE MG2 4.50 (# 1876:21 Unique 2.49, 3.47 A)
&rst
ixpk= 1876, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 342, 343,
igr2= 338, 339, 340,
&end
#
# 24 ILE HG1- 24 ILE MG2 4.50 (# 1877:21 Unique 2.49, 3.47 A)
&rst
ixpk= 1877, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 342, 343,
igr2= 338, 339, 340,
&end
#
# 0 AMB 21-2:1878 25 GLN HB- 6.00 (# 1878:21 Single Ambig)
&rst
ixpk= 1878, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 258, 259, 255, 256,
igr2= 355, 356,
&end
#
# 43 ARG HA 43 ARG HB+ 6.00 (# 1879:21 Unique 2.33, 2.71 A)
&rst
ixpk= 1879, nxpk= 21, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 612, 613,
&end
#
# 24 ILE HA 25 GLN HB- 6.00 (# 1880:21 Unique 4.29, 4.84 A)
&rst
ixpk= 1880, nxpk= 21, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 355, 356,
&end
#
# 25 GLN HG+ 25 GLN HB- 4.50 (# 1881:21 Unique 2.30, 2.72 A)
&rst
ixpk= 1881, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 358, 359,
igr2= 355, 356,
&end
#
# 26 ARG HB- 26 ARG HA 3.50 (# 1882:21 Unique 2.47, 2.75 A)
&rst
ixpk= 1882, nxpk= 21, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 372, 373,
&end
#
# 26 ARG HD+ 26 ARG HA 4.50 (# 1883:21 Unique 1.93, 2.74 A)
&rst
ixpk= 1883, nxpk= 21, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 378, 379,
&end
#
# 27 ASP HN 26 ARG HA 4.50 (# 1884:21 Unique 2.34, 2.48 A)
&rst
ixpk= 1884, nxpk= 21, iat= 392, 370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ARG HN 26 ARG HA 6.00 (# 1885:21 Unique 2.89, 2.92 A)
&rst
ixpk= 1885, nxpk= 21, iat= 368, 370, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 ILE MD1 0 AMB 21-1:1886 6.00 (# 1886:21 Single Ambig)
&rst
ixpk= 1886, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 45, 46, 47,
igr2= 375, 376, 375, 376,
&end
#
# 20 ASP HA 0 AMB 21-1:1887 6.00 (# 1887:21 Single Ambig)
&rst
ixpk= 1887, nxpk= 21, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 375, 376, 375, 376,
&end
#
# 55 ALA HN 54 PHE HB+ 6.00 (# 1888:21 Unique 1.91, 2.50 A)
&rst
ixpk= 1888, nxpk= 21, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 791, 792,
&end
#
# 54 PHE HD 54 PHE HB- 4.50 (# 1889:21 Unique 2.33, 3.03 A)
&rst
ixpk= 1889, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 795, 803,
igr2= 791, 792,
&end
#
# 18 LYS HA 27 ASP HA 4.50 (# 1892:21 Unique 2.36, 2.47 A)
&rst
ixpk= 1892, nxpk= 21, iat= 250, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 21-2:1893 0 AMB 21-1:1893 6.00 (# 1893:21 Double Ambig)
&rst
ixpk= 1893, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
igr2= 396, 397, 396, 397,
&end
#
# 0 AMB 21-2:1894 27 ASP HB- 6.00 (# 1894:21 Single Ambig)
&rst
ixpk= 1894, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
igr2= 396, 397,
&end
#
# 30 LEU MDY 28 VAL HB 6.00 (# 1895:21 Unique 3.02, 6.34 A)
&rst
ixpk= 1895, nxpk= 21, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 50 VAL MGY 28 VAL HB 6.00 (# 1896:21 Unique 3.27, 5.77 A)
&rst
ixpk= 1896, nxpk= 21, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 737, 738, 739, 741, 742, 743,
&end
#
# 30 LEU HN 29 ASP HB- 6.00 (# 1898:21 Unique 2.66, 3.67 A)
&rst
ixpk= 1898, nxpk= 21, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 424, 425,
&end
#
# 30 LEU HN 29 ASP HB+ 6.00 (# 1899:21 Unique 2.66, 3.67 A)
&rst
ixpk= 1899, nxpk= 21, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 424, 425,
&end
#
# 0 AMB 21-2:1900 0 AMB 21-1:1900 6.00 (# 1900:21 Double Ambig)
&rst
ixpk= 1900, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
igr2= 424, 425, 424, 425,
&end
#
# 0 AMB 21-2:1901 29 ASP HB- 6.00 (# 1901:21 Single Ambig)
&rst
ixpk= 1901, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
igr2= 424, 425,
&end
#
# 10 ARG HD+ 20 ASP HB- 6.00 (# 1904:21 Unique 4.63, 5.67 A)
&rst
ixpk= 1904, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 141, 142,
igr2= 290, 291,
&end
#
# 33 VAL MGX 30 LEU HA 4.50 (# 1905:21 Unique 2.03, 4.35 A)
&rst
ixpk= 1905, nxpk= 21, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 30 LEU HN 30 LEU HB- 6.00 (# 1906:21 Unique 2.86, 3.41 A)
&rst
ixpk= 1906, nxpk= 21, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 436, 437,
&end
#
# 30 LEU MDX 30 LEU HG 3.50 (# 1907:21 Unique 2.21, 2.63 A)
&rst
ixpk= 1907, nxpk= 21, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 17 ALA MB 30 LEU HG 4.50 (# 1908:21 Unique 2.89, 3.84 A)
&rst
ixpk= 1908, nxpk= 21, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 242, 243, 244,
&end
#
# 33 VAL MGX 30 LEU MDY 4.50 (# 1909:21 Unique 2.60, 6.19 A)
&rst
ixpk= 1909, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 490, 491, 492, 494, 495, 496,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 0 AMB 21-2:1910 30 LEU MDY 3.50 (# 1910:21 Single Ambig)
&rst
ixpk= 1910, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 0 AMB 21-2:1911 19 VAL MGX 4.50 (# 1911:21 Single Ambig)
&rst
ixpk= 1911, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 737, 738, 739, 741, 742, 743, 304, 305, 306, 308,
309, 310,
igr2= 276, 277, 278, 280, 281, 282,
&end
#
# 15 ASN HB- 30 LEU MDY 6.00 (# 1913:21 Unique 5.15, 7.39 A)
&rst
ixpk= 1913, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 211, 212,
igr2= 441, 442, 443, 445, 446, 447,
&end
#
# 32 LEU MDY 31 THR HA 6.00 (# 1914:21 Unique 4.66, 6.75 A)
&rst
ixpk= 1914, nxpk= 21, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 30 LEU HB+ 31 THR HA 6.00 (# 1915:21 Unique 4.43, 4.88 A)
&rst
ixpk= 1915, nxpk= 21, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 436, 437,
&end
#
# 15 ASN HD2- 31 THR HA 6.00 (# 1916:21 Unique 2.74, 3.98 A)
&rst
ixpk= 1916, nxpk= 21, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 216, 217,
&end
#
# 32 LEU MDY 31 THR HB 6.00 (# 1917:21 Unique 3.01, 5.77 A)
&rst
ixpk= 1917, nxpk= 21, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 15 ASN HB- 31 THR MG2 6.00 (# 1919:21 Unique 2.10, 3.48 A)
&rst
ixpk= 1919, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 211, 212,
igr2= 457, 458, 459,
&end
#
# 32 LEU HG 32 LEU HA 6.00 (# 1920:21 Unique 3.37, 3.39 A)
&rst
ixpk= 1920, nxpk= 21, iat= 472, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 VAL MGY 32 LEU HA 6.00 (# 1921:21 Unique 4.88, 5.94 A)
&rst
ixpk= 1921, nxpk= 21, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 32 LEU HG 32 LEU HB+ 4.50 (# 1922:21 Unique 2.39, 2.72 A)
&rst
ixpk= 1922, nxpk= 21, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 469, 470,
&end
#
# 32 LEU HG 32 LEU HB- 3.50 (# 1923:21 Unique 2.39, 2.72 A)
&rst
ixpk= 1923, nxpk= 21, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 469, 470,
&end
#
# 31 THR MG2 32 LEU HG 6.00 (# 1925:21 Unique 5.02, 6.06 A)
&rst
ixpk= 1925, nxpk= 21, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 457, 458, 459,
&end
#
# 0 AMB 21-2:1926 0 AMB 21-1:1926 6.00 (# 1926:21 Double Ambig)
&rst
ixpk= 1926, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 469, 470,1309,1310,
igr2= 474, 475, 476, 478, 479, 480,1233,1234,1235,1237,
1238,1239,
&end
#
# 19 VAL MGX 50 VAL MGY 4.50 (# 1927:21 Unique 1.98, 5.46 A)
&rst
ixpk= 1927, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 276, 277, 278, 280, 281, 282,
igr2= 737, 738, 739, 741, 742, 743,
&end
#
# 33 VAL MGY 33 VAL HA 2.80 (# 1929:21 Unique 2.09, 3.36 A)
&rst
ixpk= 1929, nxpk= 21, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 33 VAL HB 33 VAL HA 3.50 (# 1930:21 Unique 2.57, 2.63 A)
&rst
ixpk= 1930, nxpk= 21, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 VAL HN 33 VAL HA 6.00 (# 1932:21 Unique 5.61, 6.27 A)
&rst
ixpk= 1932, nxpk= 21, iat= 845, 486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:1933 0 AMB 21-1:1933 6.00 (# 1933:21 Double Ambig)
&rst
ixpk= 1933, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1= 986, 987, 988, 811, 812, 813, 716, 717,
igr2= 81, 82, 488, 81, 82,
&end
#
# 43 ARG HE 33 VAL HB 6.00 (# 1934:21 Unique 2.94, 4.53 A)
&rst
ixpk= 1934, nxpk= 21, iat= 621, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LEU HB- 33 VAL MGY 6.00 (# 1936:21 Unique 1.98, 4.73 A)
&rst
ixpk= 1936, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 436, 437,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 43 ARG HE 33 VAL MGX 6.00 (# 1937:21 Unique 2.53, 5.86 A)
&rst
ixpk= 1937, nxpk= 21, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 35 SER HA 0 AMB 21-1:1938 6.00 (# 1938:21 Single Ambig)
&rst
ixpk= 1938, nxpk= 21, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 490, 491, 492, 494, 495, 496, 175, 176, 177,
&end
#
# 0 AMB 21-2:1939 0 AMB 21-1:1939 6.00 (# 1939:21 Double Ambig)
&rst
ixpk= 1939, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 618, 619, 618, 619,
igr2= 490, 491, 492, 494, 495, 496, 175, 176, 177,
&end
#
# 31 THR HN 33 VAL MGX 6.00 (# 1940:21 Unique 4.11, 6.31 A)
&rst
ixpk= 1940, nxpk= 21, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 490, 491, 492, 494, 495, 496,
&end
#
# 30 LEU MDX 35 SER HA 2.80 (# 1942:21 Unique 1.93, 3.99 A)
&rst
ixpk= 1942, nxpk= 21, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 30 LEU MDY 35 SER HA 6.00 (# 1943:21 Unique 1.93, 3.99 A)
&rst
ixpk= 1943, nxpk= 21, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 36 CYS HN 35 SER HA 4.50 (# 1944:21 Unique 2.70, 3.10 A)
&rst
ixpk= 1944, nxpk= 21, iat= 518, 509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 GLY HN 37 ASP HA 6.00 (# 1947:21 Unique 4.19, 4.28 A)
&rst
ixpk= 1947, nxpk= 21, iat= 570, 531, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:1948 37 ASP HB- 6.00 (# 1948:21 Single Ambig)
&rst
ixpk= 1948, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 572, 573, 610,
igr2= 533, 534,
&end
#
# 0 AMB 21-2:1949 0 AMB 21-1:1949 6.00 (# 1949:21 Double Ambig)
&rst
ixpk= 1949, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 572, 573, 610,
igr2= 533, 534, 533, 534,
&end
#
# 0 AMB 21-2:1950 0 AMB 21-1:1950 6.00 (# 1950:21 Double Ambig)
&rst
ixpk= 1950, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 581, 582, 581, 582,
igr2= 533, 534, 533, 534,
&end
#
# 43 ARG HG+ 37 ASP HB+ 6.00 (# 1951:21 Unique 2.89, 5.08 A)
&rst
ixpk= 1951, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 615, 616,
igr2= 533, 534,
&end
#
# 43 ARG HG+ 37 ASP HB- 6.00 (# 1952:21 Unique 2.89, 5.08 A)
&rst
ixpk= 1952, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 615, 616,
igr2= 533, 534,
&end
#
# 43 ARG HG- 37 ASP HB+ 6.00 (# 1954:21 Unique 2.89, 5.08 A)
&rst
ixpk= 1954, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 615, 616,
igr2= 533, 534,
&end
#
# 0 AMB 21-2:1955 37 ASP HB- 6.00 (# 1955:21 Single Ambig)
&rst
ixpk= 1955, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 851, 852, 853, 855, 856, 857, 612, 613,
igr2= 533, 534,
&end
#
# 0 AMB 21-2:1956 37 ASP HB- 6.00 (# 1956:21 Single Ambig)
&rst
ixpk= 1956, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 581, 582, 581, 582,
igr2= 533, 534,
&end
#
# 46 GLN HE2- 37 ASP HB+ 6.00 (# 1957:21 Unique 2.17, 4.01 A)
&rst
ixpk= 1957, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 667, 668,
igr2= 533, 534,
&end
#
# 46 GLN HE2+ 37 ASP HB+ 6.00 (# 1958:21 Unique 2.17, 4.01 A)
&rst
ixpk= 1958, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 667, 668,
igr2= 533, 534,
&end
#
# 46 GLN HE2- 37 ASP HB- 6.00 (# 1959:21 Unique 2.17, 4.01 A)
&rst
ixpk= 1959, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 667, 668,
igr2= 533, 534,
&end
#
# 46 GLN HE2+ 37 ASP HB- 6.00 (# 1960:21 Unique 2.17, 4.01 A)
&rst
ixpk= 1960, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 667, 668,
igr2= 533, 534,
&end
#
# 39 ASN HN 37 ASP HB+ 6.00 (# 1961:21 Unique 2.48, 3.27 A)
&rst
ixpk= 1961, nxpk= 21, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 62 ALA MB 63 GLU HA 6.00 (# 1965:21 Unique 4.12, 4.71 A)
&rst
ixpk= 1965, nxpk= 21, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 913, 914, 915,
&end
#
# 0 AMB 21-2:1966 0 AMB 21-1:1966 4.50 (# 1966:21 Double Ambig)
&rst
ixpk= 1966, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
igr2= 598, 599, 598, 599,
&end
#
# 0 AMB 21-2:1967 42 PRO HG- 6.00 (# 1967:21 Single Ambig)
&rst
ixpk= 1967, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
igr2= 598, 599,
&end
#
# 0 AMB 21-2:1968 0 AMB 21-1:1968 2.80 (# 1968:21 Double Ambig)
&rst
ixpk= 1968, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 545, 546, 545, 546, 545, 546,
igr2= 548, 549, 548, 549, 548, 549,
&end
#
# 39 ASN HN 0 AMB 21-1:1970 6.00 (# 1970:21 Single Ambig)
&rst
ixpk= 1970, nxpk= 21, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 548, 549, 548, 549,
&end
#
# 39 ASN HB- 41 GLN HG+ 6.00 (# 1972:21 Unique 2.38, 4.03 A)
&rst
ixpk= 1972, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 560, 561,
igr2= 584, 585,
&end
#
# 39 ASN HB- 41 GLN HG- 6.00 (# 1973:21 Unique 2.38, 4.03 A)
&rst
ixpk= 1973, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 560, 561,
igr2= 584, 585,
&end
#
# 44 VAL HN 42 PRO HB+ 6.00 (# 1974:21 Unique 2.26, 3.12 A)
&rst
ixpk= 1974, nxpk= 21, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 601, 602,
&end
#
# 44 VAL HN 42 PRO HB- 6.00 (# 1975:21 Unique 2.26, 3.12 A)
&rst
ixpk= 1975, nxpk= 21, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 601, 602,
&end
#
# 0 AMB 21-2:1976 0 AMB 21-1:1976 6.00 (# 1976:21 Double Ambig)
&rst
ixpk= 1976, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
igr2= 595, 596, 595, 596,
&end
#
# 0 AMB 21-2:1977 42 PRO HD- 6.00 (# 1977:21 Single Ambig)
&rst
ixpk= 1977, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
igr2= 595, 596,
&end
#
# 75 PHE HB- 72 GLN HA 6.00 (# 1978:21 Unique 2.30, 3.44 A)
&rst
ixpk= 1978, nxpk= 21, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1106,1107,
&end
#
# 0 AMB 21-2:1979 43 ARG HA 4.50 (# 1979:21 Single Ambig)
&rst
ixpk= 1979, nxpk= 21, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 615, 616, 612, 613,
&end
#
# 43 ARG HG+ 43 ARG HA 4.50 (# 1980:21 Unique 2.31, 3.06 A)
&rst
ixpk= 1980, nxpk= 21, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 615, 616,
&end
#
# 43 ARG HG+ 43 ARG HB+ 6.00 (# 1981:21 Unique 2.21, 2.70 A)
&rst
ixpk= 1981, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 615, 616,
igr2= 612, 613,
&end
#
# 43 ARG HG+ 43 ARG HB- 4.50 (# 1982:21 Unique 2.21, 2.70 A)
&rst
ixpk= 1982, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 615, 616,
igr2= 612, 613,
&end
#
# 37 ASP HN 43 ARG HG+ 6.00 (# 1983:21 Unique 3.09, 3.78 A)
&rst
ixpk= 1983, nxpk= 21, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 615, 616,
&end
#
# 33 VAL HB 43 ARG HD- 6.00 (# 1984:21 Unique 3.92, 4.89 A)
&rst
ixpk= 1984, nxpk= 21, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 618, 619,
&end
#
# 33 VAL HB 43 ARG HD+ 6.00 (# 1985:21 Unique 3.92, 4.89 A)
&rst
ixpk= 1985, nxpk= 21, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 618, 619,
&end
#
# 43 ARG HA 44 VAL HA 6.00 (# 1986:21 Unique 4.93, 4.94 A)
&rst
ixpk= 1986, nxpk= 21, iat= 610, 634, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL MGX 21 VAL MGY 3.50 (# 1988:21 Unique 2.31, 5.88 A)
&rst
ixpk= 1988, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 276, 277, 278, 280, 281, 282,
igr2= 304, 305, 306, 308, 309, 310,
&end
#
# 8 GLN HB+ 10 ARG HA 6.00 (# 1989:21 Unique 4.57, 5.37 A)
&rst
ixpk= 1989, nxpk= 21, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 99, 100,
&end
#
# 43 ARG HA 0 AMB 21-1:1990 4.50 (# 1990:21 Single Ambig)
&rst
ixpk= 1990, nxpk= 21, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 662, 663, 662, 663,
&end
#
# 25 GLN HB- 25 GLN HG+ 6.00 (# 1991:21 Unique 2.30, 2.72 A)
&rst
ixpk= 1991, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 355, 356,
igr2= 358, 359,
&end
#
# 18 LYS HB- 25 GLN HG+ 6.00 (# 1993:21 Unique 2.11, 4.43 A)
&rst
ixpk= 1993, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 252, 253,
igr2= 358, 359,
&end
#
# 18 LYS HG+ 25 GLN HG+ 6.00 (# 1994:21 Unique 1.92, 4.38 A)
&rst
ixpk= 1994, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 255, 256,
igr2= 358, 359,
&end
#
# 58 VAL MGY 0 AMB 21-1:1995 6.00 (# 1995:21 Single Ambig)
&rst
ixpk= 1995, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 851, 852, 853, 855, 856, 857,
igr2= 662, 663, 662, 663,
&end
#
# 0 AMB 21-2:1997 0 AMB 21-1:1997 6.00 (# 1997:21 Double Ambig)
&rst
ixpk= 1997, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 345, 346, 347, 338, 339, 340,
igr2= 358, 359, 358, 359,
&end
#
# 8 GLN HB- 47 TRP HA 6.00 (# 1998:21 Unique 4.78, 5.17 A)
&rst
ixpk= 1998, nxpk= 21, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 99, 100,
&end
#
# 0 AMB 21-2:1999 47 TRP HA 6.00 (# 1999:21 Single Ambig)
&rst
ixpk= 1999, nxpk= 21, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 116, 901, 902, 612, 613,
&end
#
# 8 GLN HA 47 TRP HA 3.50 (# 2000:21 Unique 2.37, 2.46 A)
&rst
ixpk= 2000, nxpk= 21, iat= 97, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 PRO HB+ 47 TRP HB+ 6.00 (# 2002:21 Unique 3.16, 4.47 A)
&rst
ixpk= 2002, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 81, 82,
igr2= 676, 677,
&end
#
# 6 PRO HB+ 47 TRP HB- 6.00 (# 2003:21 Unique 3.16, 4.47 A)
&rst
ixpk= 2003, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 81, 82,
igr2= 676, 677,
&end
#
# 59 ILE HN 47 TRP HB+ 6.00 (# 2006:21 Unique 4.10, 4.67 A)
&rst
ixpk= 2006, nxpk= 21, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 59 ILE HN 47 TRP HB- 6.00 (# 2007:21 Unique 4.10, 4.67 A)
&rst
ixpk= 2007, nxpk= 21, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 0 AMB 21-2:2008 48 VAL HA 6.00 (# 2008:21 Single Ambig)
&rst
ixpk= 2008, nxpk= 21, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 845, 880,
&end
#
# 6 PRO HB+ 48 VAL HA 6.00 (# 2009:21 Unique 5.02, 5.44 A)
&rst
ixpk= 2009, nxpk= 21, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 81, 82,
&end
#
# 49 LEU HB+ 48 VAL HA 6.00 (# 2010:21 Unique 4.38, 5.18 A)
&rst
ixpk= 2010, nxpk= 21, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 716, 717,
&end
#
# 57 SER HN 48 VAL HB 6.00 (# 2011:21 Unique 4.53, 5.10 A)
&rst
ixpk= 2011, nxpk= 21, iat= 834, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:2013 48 VAL HB 6.00 (# 2013:21 Single Ambig)
&rst
ixpk= 2013, nxpk= 21, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 441, 442, 443, 445, 446, 447, 276, 277, 278, 280,
281, 282,
&end
#
# 0 AMB 21-2:2014 48 VAL MGY 6.00 (# 2014:21 Single Ambig)
&rst
ixpk= 2014, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 733, 819,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 21-2:2015 0 AMB 21-1:2015 6.00 (# 2015:21 Double Ambig)
&rst
ixpk= 2015, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1305, 861,
igr2=1233,1234,1235,1237,1238,1239, 702, 703, 704, 706,
707, 708,
&end
#
# 49 LEU HN 48 VAL MGX 6.00 (# 2016:21 Unique 1.96, 3.98 A)
&rst
ixpk= 2016, nxpk= 21, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 9 ILE HA 48 VAL MGX 6.00 (# 2018:21 Unique 4.19, 6.27 A)
&rst
ixpk= 2018, nxpk= 21, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 702, 703, 704, 706, 707, 708,
&end
#
# 50 VAL HN 49 LEU HA 3.50 (# 2019:21 Unique 2.21, 2.31 A)
&rst
ixpk= 2019, nxpk= 21, iat= 731, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LEU HN 49 LEU HA 6.00 (# 2020:21 Unique 2.82, 2.83 A)
&rst
ixpk= 2020, nxpk= 21, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PRO HA 49 LEU HA 4.50 (# 2021:21 Unique 1.96, 2.05 A)
&rst
ixpk= 2021, nxpk= 21, iat= 84, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 MET HB- 49 LEU HA 6.00 (# 2022:21 Unique 4.44, 5.03 A)
&rst
ixpk= 2022, nxpk= 21, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 821, 822,
&end
#
# 49 LEU HB- 49 LEU HA 4.50 (# 2023:21 Unique 2.39, 2.73 A)
&rst
ixpk= 2023, nxpk= 21, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 716, 717,
&end
#
# 50 VAL MGY 49 LEU HA 4.50 (# 2024:21 Unique 3.44, 5.36 A)
&rst
ixpk= 2024, nxpk= 21, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 737, 738, 739, 741, 742, 743,
&end
#
# 49 LEU MDY 49 LEU HA 4.50 (# 2025:21 Unique 2.00, 3.84 A)
&rst
ixpk= 2025, nxpk= 21, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 721, 722, 723, 725, 726, 727,
&end
#
# 49 LEU HG 49 LEU HA 6.00 (# 2026:21 Unique 2.62, 3.12 A)
&rst
ixpk= 2026, nxpk= 21, iat= 719, 714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 LEU HB+ 49 LEU HA 4.50 (# 2027:21 Unique 2.39, 2.73 A)
&rst
ixpk= 2027, nxpk= 21, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 716, 717,
&end
#
# 57 SER HN 49 LEU HB- 6.00 (# 2030:21 Unique 2.54, 3.90 A)
&rst
ixpk= 2030, nxpk= 21, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 716, 717,
&end
#
# 57 SER HB- 49 LEU HG 6.00 (# 2031:21 Unique 4.04, 5.08 A)
&rst
ixpk= 2031, nxpk= 21, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 838, 839,
&end
#
# 57 SER HA 49 LEU MDX 6.00 (# 2032:21 Unique 4.13, 7.06 A)
&rst
ixpk= 2032, nxpk= 21, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 57 SER HB+ 49 LEU MDX 6.00 (# 2035:21 Unique 2.18, 5.29 A)
&rst
ixpk= 2035, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 838, 839,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 67 THR HA 49 LEU MDX 6.00 (# 2036:21 Unique 5.61, 7.84 A)
&rst
ixpk= 2036, nxpk= 21, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 49 LEU HB+ 49 LEU MDX 6.00 (# 2037:21 Unique 1.99, 3.31 A)
&rst
ixpk= 2037, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 716, 717,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 49 LEU HB- 49 LEU MDX 6.00 (# 2038:21 Unique 1.99, 3.31 A)
&rst
ixpk= 2038, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 716, 717,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 49 LEU HA 49 LEU MDY 4.50 (# 2039:21 Unique 2.00, 3.84 A)
&rst
ixpk= 2039, nxpk= 21, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 6 PRO HD+ 49 LEU MDY 6.00 (# 2040:21 Unique 2.40, 5.85 A)
&rst
ixpk= 2040, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 75, 76,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 6 PRO HG- 49 LEU MDY 4.50 (# 2041:21 Unique 2.77, 5.98 A)
&rst
ixpk= 2041, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 78, 79,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 49 LEU HG 49 LEU MDY 4.50 (# 2042:21 Unique 2.21, 2.63 A)
&rst
ixpk= 2042, nxpk= 21, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 50 VAL MGX 51 HIS HA 6.00 (# 2043:21 Unique 3.61, 5.64 A)
&rst
ixpk= 2043, nxpk= 21, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 737, 738, 739, 741, 742, 743,
&end
#
# 50 VAL MGY 51 HIS HA 6.00 (# 2044:21 Unique 3.61, 5.64 A)
&rst
ixpk= 2044, nxpk= 21, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 737, 738, 739, 741, 742, 743,
&end
#
# 51 HIS HB+ 51 HIS HA 4.50 (# 2045:21 Unique 2.62, 2.82 A)
&rst
ixpk= 2045, nxpk= 21, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 751, 752,
&end
#
# 51 HIS HN 51 HIS HA 6.00 (# 2046:21 Unique 2.93, 2.95 A)
&rst
ixpk= 2046, nxpk= 21, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 MET HG+ 51 HIS HB+ 6.00 (# 2047:21 Unique 2.57, 4.26 A)
&rst
ixpk= 2047, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 824, 825,
igr2= 751, 752,
&end
#
# 56 MET HG+ 51 HIS HB- 6.00 (# 2048:21 Unique 2.57, 4.26 A)
&rst
ixpk= 2048, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 824, 825,
igr2= 751, 752,
&end
#
# 56 MET HB- 51 HIS HB+ 6.00 (# 2049:21 Unique 2.72, 4.75 A)
&rst
ixpk= 2049, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 821, 822,
igr2= 751, 752,
&end
#
# 56 MET HB- 51 HIS HB- 6.00 (# 2050:21 Unique 2.72, 4.75 A)
&rst
ixpk= 2050, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 821, 822,
igr2= 751, 752,
&end
#
# 53 GLY HA- 52 VAL HA 6.00 (# 2052:21 Unique 4.55, 4.76 A)
&rst
ixpk= 2052, nxpk= 21, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 782, 783,
&end
#
# 54 PHE HD 52 VAL HB 6.00 (# 2053:21 Unique 3.79, 6.35 A)
&rst
ixpk= 2053, nxpk= 21, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 795, 803,
&end
#
# 53 GLY HA+ 52 VAL HB 6.00 (# 2054:21 Unique 4.05, 4.63 A)
&rst
ixpk= 2054, nxpk= 21, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 782, 783,
&end
#
# 52 VAL HA 52 VAL MGX 4.50 (# 2056:21 Unique 2.17, 3.21 A)
&rst
ixpk= 2056, nxpk= 21, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 52 VAL HB 52 VAL MGX 4.50 (# 2057:21 Unique 2.22, 2.63 A)
&rst
ixpk= 2057, nxpk= 21, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 54 PHE HD 52 VAL MGX 6.00 (# 2058:21 Unique 2.56, 7.70 A)
&rst
ixpk= 2058, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 795, 803,
igr2= 770, 771, 772, 774, 775, 776,
&end
#
# 0 AMB 21-2:2061 0 AMB 21-1:2061 6.00 (# 2061:21 Double Ambig)
&rst
ixpk= 2061, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
igr2= 782, 783, 782, 783,
&end
#
# 50 VAL MGX 53 GLY HA+ 6.00 (# 2063:21 Unique 5.36, 8.80 A)
&rst
ixpk= 2063, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 737, 738, 739, 741, 742, 743,
igr2= 782, 783,
&end
#
# 0 AMB 21-2:2064 0 AMB 21-1:2064 6.00 (# 2064:21 Double Ambig)
&rst
ixpk= 2064, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 768, 424, 425,
igr2= 782, 783, 782, 783,
&end
#
# 54 PHE HN 53 GLY HA+ 6.00 (# 2067:21 Unique 2.76, 3.23 A)
&rst
ixpk= 2067, nxpk= 21, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 782, 783,
&end
#
# 0 AMB 21-2:2068 0 AMB 21-1:2068 6.00 (# 2068:21 Double Ambig)
&rst
ixpk= 2068, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 787, 529,
igr2= 782, 783, 572, 573,
&end
#
# 64 ALA HN 63 GLU HB+ 6.00 (# 2069:21 Unique 2.42, 3.00 A)
&rst
ixpk= 2069, nxpk= 21, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 923, 924,
&end
#
# 64 ALA HN 63 GLU HB- 6.00 (# 2070:21 Unique 2.42, 3.00 A)
&rst
ixpk= 2070, nxpk= 21, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 923, 924,
&end
#
# 56 MET HA 56 MET HB+ 4.50 (# 2071:21 Unique 2.69, 2.84 A)
&rst
ixpk= 2071, nxpk= 21, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 821, 822,
&end
#
# 56 MET HA 56 MET HB- 6.00 (# 2072:21 Unique 2.69, 2.84 A)
&rst
ixpk= 2072, nxpk= 21, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 821, 822,
&end
#
# 51 HIS HB- 56 MET HG+ 6.00 (# 2073:21 Unique 2.57, 4.26 A)
&rst
ixpk= 2073, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 751, 752,
igr2= 824, 825,
&end
#
# 56 MET HB- 56 MET HG- 6.00 (# 2074:21 Unique 2.21, 2.65 A)
&rst
ixpk= 2074, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 821, 822,
igr2= 824, 825,
&end
#
# 56 MET HB- 56 MET HG+ 4.50 (# 2075:21 Unique 2.21, 2.65 A)
&rst
ixpk= 2075, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 821, 822,
igr2= 824, 825,
&end
#
# 56 MET HB+ 56 MET HG- 6.00 (# 2076:21 Unique 2.21, 2.65 A)
&rst
ixpk= 2076, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 821, 822,
igr2= 824, 825,
&end
#
# 56 MET HB+ 56 MET HG+ 4.50 (# 2077:21 Unique 2.21, 2.65 A)
&rst
ixpk= 2077, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 821, 822,
igr2= 824, 825,
&end
#
# 51 HIS HB- 56 MET HG- 6.00 (# 2080:21 Unique 2.57, 4.26 A)
&rst
ixpk= 2080, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 751, 752,
igr2= 824, 825,
&end
#
# 51 HIS HB+ 56 MET HG- 6.00 (# 2081:21 Unique 2.57, 4.26 A)
&rst
ixpk= 2081, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 751, 752,
igr2= 824, 825,
&end
#
# 51 HIS HB+ 56 MET HG+ 6.00 (# 2082:21 Unique 2.57, 4.26 A)
&rst
ixpk= 2082, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 751, 752,
igr2= 824, 825,
&end
#
# 56 MET HB- 57 SER HB- 6.00 (# 2083:21 Unique 2.98, 4.70 A)
&rst
ixpk= 2083, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 821, 822,
igr2= 838, 839,
&end
#
# 58 VAL HB 57 SER HB+ 6.00 (# 2084:21 Unique 4.77, 5.84 A)
&rst
ixpk= 2084, nxpk= 21, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 838, 839,
&end
#
# 49 LEU HB+ 57 SER HB+ 6.00 (# 2085:21 Unique 3.48, 5.52 A)
&rst
ixpk= 2085, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 716, 717,
igr2= 838, 839,
&end
#
# 49 LEU HB+ 57 SER HB- 6.00 (# 2086:21 Unique 3.48, 5.52 A)
&rst
ixpk= 2086, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 716, 717,
igr2= 838, 839,
&end
#
# 0 AMB 21-2:2087 0 AMB 21-1:2087 6.00 (# 2087:21 Double Ambig)
&rst
ixpk= 2087, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 847, 863,
igr2= 838, 839, 838, 839,
&end
#
# 0 AMB 21-2:2088 57 SER HB- 6.00 (# 2088:21 Single Ambig)
&rst
ixpk= 2088, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 847, 863,
igr2= 838, 839,
&end
#
# 49 LEU HG 57 SER HB+ 6.00 (# 2089:21 Unique 4.04, 5.08 A)
&rst
ixpk= 2089, nxpk= 21, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 838, 839,
&end
#
# 49 LEU HG 57 SER HB- 6.00 (# 2090:21 Unique 4.04, 5.08 A)
&rst
ixpk= 2090, nxpk= 21, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 838, 839,
&end
#
# 59 ILE HN 59 ILE HB 6.00 (# 2091:21 Unique 3.69, 3.82 A)
&rst
ixpk= 2091, nxpk= 21, iat= 861, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 ILE MD1 59 ILE HB 3.50 (# 2092:21 Unique 2.45, 3.15 A)
&rst
ixpk= 2092, nxpk= 21, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 874, 875, 876,
&end
#
# 60 ASN HB+ 59 ILE HB 6.00 (# 2093:21 Unique 4.84, 5.24 A)
&rst
ixpk= 2093, nxpk= 21, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 884, 885,
&end
#
# 60 ASN HN 59 ILE HG1+ 6.00 (# 2094:21 Unique 2.77, 3.51 A)
&rst
ixpk= 2094, nxpk= 21, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 871, 872,
&end
#
# 48 VAL HA 59 ILE HG1- 6.00 (# 2095:21 Unique 2.34, 3.33 A)
&rst
ixpk= 2095, nxpk= 21, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 871, 872,
&end
#
# 48 VAL HA 59 ILE HG1+ 6.00 (# 2096:21 Unique 2.34, 3.33 A)
&rst
ixpk= 2096, nxpk= 21, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 871, 872,
&end
#
# 49 LEU HA 59 ILE MD1 6.00 (# 2097:21 Unique 4.04, 5.28 A)
&rst
ixpk= 2097, nxpk= 21, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 874, 875, 876,
&end
#
# 6 PRO HA 59 ILE MD1 6.00 (# 2098:21 Unique 4.03, 5.34 A)
&rst
ixpk= 2098, nxpk= 21, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 874, 875, 876,
&end
#
# 48 VAL HA 59 ILE MD1 6.00 (# 2099:21 Unique 3.70, 4.72 A)
&rst
ixpk= 2099, nxpk= 21, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 874, 875, 876,
&end
#
# 0 AMB 21-2:2100 59 ILE MD1 2.80 (# 2100:21 Single Ambig)
&rst
ixpk= 2100, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 867, 868, 869, 871, 872,
igr2= 874, 875, 876,
&end
#
# 62 ALA MB 60 ASN HB+ 6.00 (# 2101:21 Unique 3.24, 4.78 A)
&rst
ixpk= 2101, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 913, 914, 915,
igr2= 884, 885,
&end
#
# 62 ALA MB 60 ASN HB- 6.00 (# 2102:21 Unique 3.24, 4.78 A)
&rst
ixpk= 2102, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 913, 914, 915,
igr2= 884, 885,
&end
#
# 0 AMB 21-2:2103 60 ASN HB- 6.00 (# 2103:21 Single Ambig)
&rst
ixpk= 2103, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 901, 902, 926, 927, 923, 924, 898, 899,
igr2= 884, 885,
&end
#
# 65 ARG HN 61 GLU HA 6.00 (# 2104:21 Unique 4.07, 4.44 A)
&rst
ixpk= 2104, nxpk= 21, iat= 944, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 ARG HG+ 62 ALA HA 6.00 (# 2107:21 Unique 1.99, 4.56 A)
&rst
ixpk= 2107, nxpk= 21, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 951, 952,
&end
#
# 0 AMB 21-2:2108 62 ALA HA 6.00 (# 2108:21 Single Ambig)
&rst
ixpk= 2108, nxpk= 21, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 954, 955, 954, 955,
&end
#
# 64 ALA MB 62 ALA HA 6.00 (# 2109:21 Unique 4.83, 6.08 A)
&rst
ixpk= 2109, nxpk= 21, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 938, 939, 940,
&end
#
# 0 AMB 21-2:2110 62 ALA MB 6.00 (# 2110:21 Single Ambig)
&rst
ixpk= 2110, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 926, 927, 923, 924,
igr2= 913, 914, 915,
&end
#
# 61 GLU HB- 62 ALA MB 6.00 (# 2111:21 Unique 4.39, 5.88 A)
&rst
ixpk= 2111, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 898, 899,
igr2= 913, 914, 915,
&end
#
# 66 ASP HA 63 GLU HA 6.00 (# 2112:21 Unique 5.40, 5.47 A)
&rst
ixpk= 2112, nxpk= 21, iat= 970, 921, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:2114 0 AMB 21-1:2114 6.00 (# 2114:21 Double Ambig)
&rst
ixpk= 2114, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 871, 872, 615, 616,
igr2= 923, 924, 659, 660,
&end
#
# 59 ILE HG1- 63 GLU HB- 6.00 (# 2115:21 Unique 2.94, 4.14 A)
&rst
ixpk= 2115, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 871, 872,
igr2= 923, 924,
&end
#
# 59 ILE MG2 63 GLU HG- 6.00 (# 2116:21 Unique 2.55, 4.65 A)
&rst
ixpk= 2116, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 867, 868, 869,
igr2= 926, 927,
&end
#
# 59 ILE MG2 63 GLU HG+ 6.00 (# 2117:21 Unique 2.55, 4.65 A)
&rst
ixpk= 2117, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 867, 868, 869,
igr2= 926, 927,
&end
#
# 68 LEU MDY 64 ALA HA 6.00 (# 2118:21 Unique 3.47, 6.20 A)
&rst
ixpk= 2118, nxpk= 21, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1003,1004,1005,1007,1008,1009,
&end
#
# 59 ILE HG1- 64 ALA HA 6.00 (# 2119:21 Unique 4.45, 5.08 A)
&rst
ixpk= 2119, nxpk= 21, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 871, 872,
&end
#
# 68 LEU HG 64 ALA HA 6.00 (# 2120:21 Unique 4.10, 4.37 A)
&rst
ixpk= 2120, nxpk= 21, iat=1001, 936, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PRO HA 64 ALA HA 6.00 (# 2122:21 Unique 4.98, 5.13 A)
&rst
ixpk= 2122, nxpk= 21, iat= 84, 936, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 21-2:2123 64 ALA MB 6.00 (# 2123:21 Single Ambig)
&rst
ixpk= 2123, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 921, 996,
igr2= 938, 939, 940,
&end
#
# 6 PRO HD+ 64 ALA MB 6.00 (# 2124:21 Unique 4.60, 5.81 A)
&rst
ixpk= 2124, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 75, 76,
igr2= 938, 939, 940,
&end
#
# 67 THR HB 64 ALA MB 6.00 (# 2125:21 Unique 4.60, 5.15 A)
&rst
ixpk= 2125, nxpk= 21, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 938, 939, 940,
&end
#
# 66 ASP HA 65 ARG HB+ 6.00 (# 2126:21 Unique 4.03, 4.68 A)
&rst
ixpk= 2126, nxpk= 21, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 948, 949,
&end
#
# 66 ASP HA 65 ARG HB- 6.00 (# 2127:21 Unique 4.03, 4.68 A)
&rst
ixpk= 2127, nxpk= 21, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 948, 949,
&end
#
# 62 ALA HA 65 ARG HG- 6.00 (# 2128:21 Unique 1.99, 4.56 A)
&rst
ixpk= 2128, nxpk= 21, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 951, 952,
&end
#
# 62 ALA HA 65 ARG HG+ 6.00 (# 2129:21 Unique 1.99, 4.56 A)
&rst
ixpk= 2129, nxpk= 21, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 951, 952,
&end
#
# 0 AMB 21-2:2131 66 ASP HA 6.00 (# 2131:21 Single Ambig)
&rst
ixpk= 2131, nxpk= 21, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 982, 921,
&end
#
# 66 ASP HB- 67 THR HB 6.00 (# 2133:21 Unique 4.83, 5.48 A)
&rst
ixpk= 2133, nxpk= 21, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 972, 973,
&end
#
# 0 AMB 21-2:2134 0 AMB 21-1:2134 6.00 (# 2134:21 Double Ambig)
&rst
ixpk= 2134, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1015, 970,
igr2= 998, 999, 998, 999,
&end
#
# 0 AMB 21-2:2135 68 LEU HB- 6.00 (# 2135:21 Single Ambig)
&rst
ixpk= 2135, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1015, 970,
igr2= 998, 999,
&end
#
# 6 PRO HD- 68 LEU HG 6.00 (# 2136:21 Unique 2.63, 3.98 A)
&rst
ixpk= 2136, nxpk= 21, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 75, 76,
&end
#
# 64 ALA MB 68 LEU MDX 6.00 (# 2137:21 Unique 2.41, 5.86 A)
&rst
ixpk= 2137, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 938, 939, 940,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 0 AMB 21-2:2138 0 AMB 21-1:2138 3.50 (# 2138:21 Double Ambig)
&rst
ixpk= 2138, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1001, 469, 470,
igr2=1003,1004,1005,1007,1008,1009, 474, 475, 476, 478,
479, 480,
&end
#
# 89 GLU HB+ 84 LEU MDX 6.00 (# 2139:21 Unique 2.51, 7.60 A)
&rst
ixpk= 2139, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1309,1310,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 72 GLN HG+ 69 ASP HA 6.00 (# 2140:21 Unique 2.61, 3.71 A)
&rst
ixpk= 2140, nxpk= 21, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1061,1062,
&end
#
# 0 AMB 21-2:2141 69 ASP HA 4.50 (# 2141:21 Single Ambig)
&rst
ixpk= 2141, nxpk= 21, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1058,1059,1058,1059,
&end
#
# 0 AMB 21-2:2142 69 ASP HA 6.00 (# 2142:21 Single Ambig)
&rst
ixpk= 2142, nxpk= 21, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1029,1030,1031,1039,1040,
&end
#
# 70 ALA HA 69 ASP HB+ 6.00 (# 2143:21 Unique 3.91, 4.74 A)
&rst
ixpk= 2143, nxpk= 21, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1017,1018,
&end
#
# 71 LEU HN 70 ALA HA 6.00 (# 2145:21 Unique 3.50, 3.54 A)
&rst
ixpk= 2145, nxpk= 21, iat=1035,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 THR HA 70 ALA HA 6.00 (# 2146:21 Unique 4.68, 4.83 A)
&rst
ixpk= 2146, nxpk= 21, iat= 982,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 71 LEU HB+ 70 ALA MB 6.00 (# 2147:21 Unique 3.93, 5.73 A)
&rst
ixpk= 2147, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1039,1040,
igr2=1029,1030,1031,
&end
#
# 67 THR MG2 70 ALA MB 6.00 (# 2148:21 Unique 2.46, 4.92 A)
&rst
ixpk= 2148, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 986, 987, 988,
igr2=1029,1030,1031,
&end
#
# 0 AMB 21-2:2149 70 ALA MB 6.00 (# 2149:21 Single Ambig)
&rst
ixpk= 2149, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
igr2=1029,1030,1031,
&end
#
# 71 LEU HG 71 LEU HB- 3.50 (# 2150:21 Unique 2.59, 2.81 A)
&rst
ixpk= 2150, nxpk= 21, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1039,1040,
&end
#
# 71 LEU HB- 71 LEU HG 6.00 (# 2151:21 Unique 2.59, 2.81 A)
&rst
ixpk= 2151, nxpk= 21, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1039,1040,
&end
#
# 0 AMB 21-2:2152 0 AMB 21-1:2152 6.00 (# 2152:21 Double Ambig)
&rst
ixpk= 2152, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
igr2=1061,1062,1061,1062,
&end
#
# 72 GLN HA 75 PHE HB+ 6.00 (# 2154:21 Unique 2.30, 3.44 A)
&rst
ixpk= 2154, nxpk= 21, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1106,1107,
&end
#
# 0 AMB 21-2:2155 0 AMB 21-1:2155 3.50 (# 2155:21 Double Ambig)
&rst
ixpk= 2155, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1154,1155,1138,
igr2=1197,1198,1199,1201,1202,1203,1140,1141,1142,1144,
1145,1146,
&end
#
# 78 GLU HB- 78 GLU HA 4.50 (# 2156:21 Unique 2.30, 2.67 A)
&rst
ixpk= 2156, nxpk= 21, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1154,1155,
&end
#
# 0 AMB 21-2:2157 78 GLU HA 4.50 (# 2157:21 Single Ambig)
&rst
ixpk= 2157, nxpk= 21, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1197,1198,1199,1201,1202,1203,1140,1141,1142,1144,
1145,1146,1140,1141,1142,1144,1145,1146,
&end
#
# 0 AMB 21-2:2158 0 AMB 21-1:2158 6.00 (# 2158:21 Double Ambig)
&rst
ixpk= 2158, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1166,1167,1166,1167,
igr2=1154,1155,1154,1155,
&end
#
# 78 GLU HA 78 GLU HB+ 4.50 (# 2159:21 Unique 2.30, 2.67 A)
&rst
ixpk= 2159, nxpk= 21, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1154,1155,
&end
#
# 77 VAL HB 0 AMB 21-1:2161 3.50 (# 2161:21 Single Ambig)
&rst
ixpk= 2161, nxpk= 21, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1157,1158,1157,1158,
&end
#
# 78 GLU HB- 0 AMB 21-1:2162 2.80 (# 2162:21 Single Ambig)
&rst
ixpk= 2162, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1154,1155,
igr2=1157,1158,1157,1158,
&end
#
# 0 AMB 21-2:2163 0 AMB 21-1:2163 6.00 (# 2163:21 Double Ambig)
&rst
ixpk= 2163, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1181,1152,
igr2=1172,1173,1172,1173,
&end
#
# 0 AMB 21-2:2164 79 PRO HB- 6.00 (# 2164:21 Single Ambig)
&rst
ixpk= 2164, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1181,1152,
igr2=1172,1173,
&end
#
# 80 ASP HN 79 PRO HB- 6.00 (# 2165:21 Unique 3.43, 4.17 A)
&rst
ixpk= 2165, nxpk= 21, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1172,1173,
&end
#
# 79 PRO HA 0 AMB 21-1:2167 6.00 (# 2167:21 Single Ambig)
&rst
ixpk= 2167, nxpk= 21, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1166,1167,1166,1167,
&end
#
# 80 ASP HN 80 ASP HB+ 6.00 (# 2168:21 Unique 2.20, 2.96 A)
&rst
ixpk= 2168, nxpk= 21, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1183,1184,
&end
#
# 80 ASP HN 80 ASP HB- 6.00 (# 2170:21 Unique 2.20, 2.96 A)
&rst
ixpk= 2170, nxpk= 21, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1183,1184,
&end
#
# 80 ASP HA 80 ASP HB+ 4.50 (# 2171:21 Unique 2.35, 2.68 A)
&rst
ixpk= 2171, nxpk= 21, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1183,1184,
&end
#
# 80 ASP HA 80 ASP HB- 4.50 (# 2172:21 Unique 2.35, 2.68 A)
&rst
ixpk= 2172, nxpk= 21, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1183,1184,
&end
#
# 84 LEU HB+ 81 VAL HA 6.00 (# 2173:21 Unique 2.93, 4.37 A)
&rst
ixpk= 2173, nxpk= 21, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1228,1229,
&end
#
# 84 LEU HN 83 ALA HA 6.00 (# 2174:21 Unique 3.42, 3.48 A)
&rst
ixpk= 2174, nxpk= 21, iat=1224,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HB+ 8 GLN HA 6.00 (# 2175:21 Unique 3.63, 4.20 A)
&rst
ixpk= 2175, nxpk= 21, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 676, 677,
&end
#
# 84 LEU MDY 84 LEU HG 4.50 (# 2177:21 Unique 2.22, 2.63 A)
&rst
ixpk= 2177, nxpk= 21, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 85 LEU HB- 84 LEU HG 6.00 (# 2178:21 Unique 3.25, 5.54 A)
&rst
ixpk= 2178, nxpk= 21, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1247,1248,
&end
#
# 0 AMB 21-2:2179 0 AMB 21-1:2179 3.50 (# 2179:21 Double Ambig)
&rst
ixpk= 2179, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1228,1229, 78, 79,1324,1325,
igr2=1233,1234,1235,1237,1238,1239,1003,1004,1005,1007,
1008,1009,
&end
#
# 65 ARG HA 68 LEU MDX 6.00 (# 2180:21 Unique 2.00, 4.23 A)
&rst
ixpk= 2180, nxpk= 21, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1003,1004,1005,1007,1008,1009,
&end
#
# 84 LEU HA 84 LEU MDX 6.00 (# 2181:21 Unique 2.20, 4.22 A)
&rst
ixpk= 2181, nxpk= 21, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1233,1234,1235,1237,1238,1239,
&end
#
# 84 LEU MDX 85 LEU HA 4.50 (# 2182:21 Unique 3.25, 6.59 A)
&rst
ixpk= 2182, nxpk= 21, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 86 TYR HD 85 LEU HB+ 6.00 (# 2183:21 Unique 2.34, 5.35 A)
&rst
ixpk= 2183, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1270,1279,
igr2=1247,1248,
&end
#
# 86 TYR HD 85 LEU HB- 6.00 (# 2184:21 Unique 2.34, 5.35 A)
&rst
ixpk= 2184, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1270,1279,
igr2=1247,1248,
&end
#
# 88 GLU HA 0 AMB 21-1:2188 6.00 (# 2188:21 Single Ambig)
&rst
ixpk= 2188, nxpk= 21, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1297,1298,1297,1298,
&end
#
# 6 PRO HD+ 5 VAL HA 4.50 (# 2189:21 Unique 1.93, 2.17 A)
&rst
ixpk= 2189, nxpk= 21, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 75, 76,
&end
#
# 6 PRO HD- 5 VAL HA 6.00 (# 2190:21 Unique 1.93, 2.17 A)
&rst
ixpk= 2190, nxpk= 21, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 75, 76,
&end
#
# 50 VAL MGY 6 PRO HA 6.00 (# 2191:21 Unique 3.12, 5.45 A)
&rst
ixpk= 2191, nxpk= 21, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 737, 738, 739, 741, 742, 743,
&end
#
# 49 LEU HG 6 PRO HA 6.00 (# 2192:21 Unique 3.49, 4.48 A)
&rst
ixpk= 2192, nxpk= 21, iat= 719, 84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 LEU HB+ 6 PRO HA 6.00 (# 2193:21 Unique 3.98, 4.63 A)
&rst
ixpk= 2193, nxpk= 21, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 716, 717,
&end
#
# 0 AMB 21-2:2194 0 AMB 21-1:2194 3.50 (# 2194:21 Double Ambig)
&rst
ixpk= 2194, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 951, 952, 951, 952,
igr2= 954, 955, 954, 955,
&end
#
# 71 LEU HB- 71 LEU HA 4.50 (# 2195:21 Unique 2.37, 2.43 A)
&rst
ixpk= 2195, nxpk= 21, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1039,1040,
&end
#
# 71 LEU HB+ 71 LEU HA 4.50 (# 2196:21 Unique 2.37, 2.43 A)
&rst
ixpk= 2196, nxpk= 21, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1039,1040,
&end
#
# 76 ASP HB+ 76 ASP HA 4.50 (# 2197:21 Unique 2.33, 2.72 A)
&rst
ixpk= 2197, nxpk= 21, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1126,1127,
&end
#
# 6 PRO HB+ 49 LEU MDY 6.00 (# 2199:21 Unique 1.99, 4.82 A)
&rst
ixpk= 2199, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 81, 82,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 0 AMB 21-2:2200 0 AMB 21-1:2200 6.00 (# 2200:21 Double Ambig)
&rst
ixpk= 2200, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1150,1207,
igr2=1154,1155,1154,1155,
&end
#
# 47 TRP HE1 61 GLU HB+ 6.00 (# 2201:21 Unique 3.40, 4.14 A)
&rst
ixpk= 2201, nxpk= 21, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 898, 899,
&end
#
# 0 AMB 21-2:2202 78 GLU HB- 6.00 (# 2202:21 Single Ambig)
&rst
ixpk= 2202, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1166,1167,1166,1167,
igr2=1154,1155,
&end
#
# 15 ASN HD2- 15 ASN HB- 6.00 (# 2206:21 Unique 2.12, 3.23 A)
&rst
ixpk= 2206, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 216, 217,
igr2= 211, 212,
&end
#
# 41 GLN HE2- 41 GLN HG- 6.00 (# 2207:21 Unique 2.12, 3.27 A)
&rst
ixpk= 2207, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 589, 590,
igr2= 584, 585,
&end
#
# 46 GLN HE2- 0 AMB 21-1:2208 6.00 (# 2208:21 Single Ambig)
&rst
ixpk= 2208, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 667, 668,
igr2= 662, 663, 662, 663,
&end
#
# 30 LEU MDX 35 SER HB- 4.50 (# 2209:21 Unique 1.98, 4.39 A)
&rst
ixpk= 2209, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 441, 442, 443, 445, 446, 447,
igr2= 511, 512,
&end
#
# 30 LEU MDX 35 SER HB+ 4.50 (# 2210:21 Unique 1.98, 4.39 A)
&rst
ixpk= 2210, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 441, 442, 443, 445, 446, 447,
igr2= 511, 512,
&end
#
# 35 SER HB- 12 ILE MD1 6.00 (# 2211:21 Unique 5.12, 7.14 A)
&rst
ixpk= 2211, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 511, 512,
igr2= 182, 183, 184,
&end
#
# 0 AMB 21-2:2212 12 ILE MD1 6.00 (# 2212:21 Single Ambig)
&rst
ixpk= 2212, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 610, 509,
igr2= 182, 183, 184,
&end
#
# 42 PRO HA 12 ILE MD1 6.00 (# 2213:21 Unique 3.12, 4.62 A)
&rst
ixpk= 2213, nxpk= 21, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 182, 183, 184,
&end
#
# 0 AMB 21-2:2214 71 LEU HB- 6.00 (# 2214:21 Single Ambig)
&rst
ixpk= 2214, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 996, 53, 54, 53, 54, 982,
igr2=1039,1040,
&end
#
# 49 LEU HG 49 LEU MDX 6.00 (# 2215:21 Unique 2.21, 2.63 A)
&rst
ixpk= 2215, nxpk= 21, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 721, 722, 723, 725, 726, 727,
&end
#
# 7 GLY HA- 21 VAL HA 6.00 (# 2216:21 Unique 3.41, 3.86 A)
&rst
ixpk= 2216, nxpk= 21, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 90, 91,
&end
#
# 88 GLU HN 87 GLY HA+ 6.00 (# 2217:21 Unique 2.14, 2.71 A)
&rst
ixpk= 2217, nxpk= 21, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1285,1286,
&end
#
# 85 LEU HN 87 GLY HA+ 6.00 (# 2218:21 Unique 5.04, 6.32 A)
&rst
ixpk= 2218, nxpk= 21, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1285,1286,
&end
#
# 47 TRP HE1 8 GLN HG- 6.00 (# 2220:21 Unique 2.26, 3.12 A)
&rst
ixpk= 2220, nxpk= 21, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 0 AMB 21-2:2221 9 ILE MD1 4.50 (# 2221:21 Single Ambig)
&rst
ixpk= 2221, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 242, 243, 244, 811, 812, 813,
igr2= 125, 126, 127,
&end
#
# 43 ARG HA 46 GLN HB+ 6.00 (# 2222:21 Unique 2.24, 3.18 A)
&rst
ixpk= 2222, nxpk= 21, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 659, 660,
&end
#
# 50 VAL HA 50 VAL MGX 4.50 (# 2223:21 Unique 2.43, 3.27 A)
&rst
ixpk= 2223, nxpk= 21, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 737, 738, 739, 741, 742, 743,
&end
#
# 5 VAL HN 50 VAL MGX 6.00 (# 2225:21 Unique 1.95, 4.13 A)
&rst
ixpk= 2225, nxpk= 21, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 737, 738, 739, 741, 742, 743,
&end
#
# 51 HIS HN 50 VAL MGX 4.50 (# 2226:21 Unique 2.20, 4.32 A)
&rst
ixpk= 2226, nxpk= 21, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 737, 738, 739, 741, 742, 743,
&end
#
# 50 VAL HB 50 VAL MGX 3.50 (# 2227:21 Unique 2.22, 2.63 A)
&rst
ixpk= 2227, nxpk= 21, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 737, 738, 739, 741, 742, 743,
&end
#
# 27 ASP HA 18 LYS HD- 6.00 (# 2229:21 Unique 3.94, 5.21 A)
&rst
ixpk= 2229, nxpk= 21, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 258, 259,
&end
#
# 55 ALA MB 50 VAL HA 6.00 (# 2230:21 Unique 5.04, 6.64 A)
&rst
ixpk= 2230, nxpk= 21, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 811, 812, 813,
&end
#
# 0 AMB 21-2:2231 50 VAL HA 6.00 (# 2231:21 Single Ambig)
&rst
ixpk= 2231, nxpk= 21, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 72 GLN HA 0 AMB 21-1:2232 6.00 (# 2232:21 Single Ambig)
&rst
ixpk= 2232, nxpk= 21, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1073,1124,
&end
#
# 75 PHE HB+ 75 PHE HA 4.50 (# 2233:21 Unique 2.36, 2.74 A)
&rst
ixpk= 2233, nxpk= 21, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1106,1107,
&end
#
# 75 PHE HB- 75 PHE HA 6.00 (# 2234:21 Unique 2.36, 2.74 A)
&rst
ixpk= 2234, nxpk= 21, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1106,1107,
&end
#
# 23 GLY HN 22 CYS HB+ 6.00 (# 2235:21 Unique 2.84, 3.43 A)
&rst
ixpk= 2235, nxpk= 21, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 318, 319,
&end
#
# 24 ILE HN 22 CYS HB- 6.00 (# 2236:21 Unique 5.21, 5.70 A)
&rst
ixpk= 2236, nxpk= 21, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 318, 319,
&end
#
# 25 GLN HN 25 GLN HA 6.00 (# 2237:21 Unique 2.76, 2.76 A)
&rst
ixpk= 2237, nxpk= 21, iat= 351, 353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 GLN HB- 25 GLN HA 6.00 (# 2238:21 Unique 2.61, 2.83 A)
&rst
ixpk= 2238, nxpk= 21, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 355, 356,
&end
#
# 26 ARG HB- 25 GLN HA 6.00 (# 2239:21 Unique 4.54, 5.14 A)
&rst
ixpk= 2239, nxpk= 21, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 372, 373,
&end
#
# 0 AMB 21-2:2241 0 AMB 21-1:2241 6.00 (# 2241:21 Double Ambig)
&rst
ixpk= 2241, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 923, 924, 926, 927,
igr2= 972, 973, 972, 973,
&end
#
# 71 LEU HB+ 67 THR MG2 4.50 (# 2242:21 Unique 2.64, 4.53 A)
&rst
ixpk= 2242, nxpk= 21, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1039,1040,
igr2= 986, 987, 988,
&end
#
# 86 TYR HA 86 TYR HD 6.00 (# 0:26 Unique 2.04, 3.46 A)
&rst
ixpk= 0, nxpk= 26, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1270,1279,
&end
#
# 86 TYR HB- 86 TYR HD 6.00 (# 1:26 Unique 2.30, 3.06 A)
&rst
ixpk= 1, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1266,1267,
igr2=1270,1279,
&end
#
# 54 PHE HB+ 54 PHE HD 6.00 (# 2:26 Unique 2.33, 3.03 A)
&rst
ixpk= 2, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 791, 792,
igr2= 795, 803,
&end
#
# 54 PHE HB+ 54 PHE HE 6.00 (# 3:26 Unique 4.62, 5.04 A)
&rst
ixpk= 3, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 791, 792,
igr2= 797, 801,
&end
#
# 32 LEU MDY 54 PHE HD 6.00 (# 5:26 Unique 2.97, 5.04 A)
&rst
ixpk= 5, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 474, 475, 476, 478, 479, 480,
igr2= 795, 803,
&end
#
# 75 PHE HA 75 PHE HE 6.00 (# 7:26 Unique 4.33, 5.32 A)
&rst
ixpk= 7, nxpk= 26, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1112,1116,
&end
#
# 54 PHE HN 54 PHE HD 6.00 (# 8:26 Unique 2.15, 4.04 A)
&rst
ixpk= 8, nxpk= 26, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 795, 803,
&end
#
# 0 AMB 26-2:9 75 PHE HD 6.00 (# 9:26 Single Ambig)
&rst
ixpk= 9, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1104,1073,
igr2=1110,1118,
&end
#
# 75 PHE HB+ 75 PHE HD 6.00 (# 10:26 Unique 2.28, 3.04 A)
&rst
ixpk= 10, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1106,1107,
igr2=1110,1118,
&end
#
# 52 VAL HB 54 PHE HD 6.00 (# 12:26 Unique 3.79, 6.35 A)
&rst
ixpk= 12, nxpk= 26, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 795, 803,
&end
#
# 52 VAL HB 54 PHE HE 6.00 (# 13:26 Unique 4.69, 6.91 A)
&rst
ixpk= 13, nxpk= 26, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 797, 801,
&end
#
# 8 GLN HG+ 47 TRP HD1 6.00 (# 16:26 Unique 2.74, 3.61 A)
&rst
ixpk= 16, nxpk= 26, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 61 GLU HG- 47 TRP HD1 4.50 (# 17:26 Unique 2.28, 3.17 A)
&rst
ixpk= 17, nxpk= 26, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 901, 902,
&end
#
# 61 GLU HA 47 TRP HD1 6.00 (# 18:26 Unique 3.35, 3.53 A)
&rst
ixpk= 18, nxpk= 26, iat= 896, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HB+ 47 TRP HD1 4.50 (# 19:26 Unique 3.09, 3.50 A)
&rst
ixpk= 19, nxpk= 26, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 676, 677,
&end
#
# 46 GLN HA 47 TRP HD1 6.00 (# 20:26 Unique 2.90, 3.02 A)
&rst
ixpk= 20, nxpk= 26, iat= 657, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 ASN HA 47 TRP HD1 6.00 (# 21:26 Unique 3.95, 4.13 A)
&rst
ixpk= 21, nxpk= 26, iat= 882, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HA 47 TRP HD1 6.00 (# 22:26 Unique 3.01, 3.07 A)
&rst
ixpk= 22, nxpk= 26, iat= 674, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 GLU HN 47 TRP HD1 6.00 (# 23:26 Unique 4.09, 4.22 A)
&rst
ixpk= 23, nxpk= 26, iat= 894, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HN 47 TRP HD1 4.50 (# 24:26 Unique 2.58, 2.67 A)
&rst
ixpk= 24, nxpk= 26, iat= 672, 680, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 TRP HE1 47 TRP HD1 3.50 (# 25:26 Unique 2.57, 2.57 A)
&rst
ixpk= 25, nxpk= 26, iat= 682, 680, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 GLN HB- 47 TRP HH2 6.00 (# 26:26 Unique 3.97, 4.82 A)
&rst
ixpk= 26, nxpk= 26, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 99, 100,
&end
#
# 64 ALA MB 47 TRP HH2 6.00 (# 27:26 Unique 4.37, 5.35 A)
&rst
ixpk= 27, nxpk= 26, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 938, 939, 940,
&end
#
# 68 LEU MDX 47 TRP HH2 6.00 (# 28:26 Unique 3.31, 5.24 A)
&rst
ixpk= 28, nxpk= 26, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1003,1004,1005,1007,1008,1009,
&end
#
# 8 GLN HB+ 47 TRP HH2 6.00 (# 29:26 Unique 3.97, 4.82 A)
&rst
ixpk= 29, nxpk= 26, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 99, 100,
&end
#
# 0 AMB 26-2:30 47 TRP HH2 6.00 (# 30:26 Single Ambig)
&rst
ixpk= 30, nxpk= 26, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 898, 899, 81, 82,
&end
#
# 47 TRP HZ3 47 TRP HH2 3.50 (# 31:26 Unique 2.44, 2.44 A)
&rst
ixpk= 31, nxpk= 26, iat= 689, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 TRP HZ2 47 TRP HH2 3.50 (# 32:26 Unique 2.46, 2.46 A)
&rst
ixpk= 32, nxpk= 26, iat= 685, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 26-2:33 47 TRP HE3 6.00 (# 33:26 Single Ambig)
&rst
ixpk= 33, nxpk= 26, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 276, 277, 278, 280, 281, 282, 702, 703, 704, 706,
707, 708,
&end
#
# 68 LEU MDX 47 TRP HE3 6.00 (# 34:26 Unique 4.30, 6.17 A)
&rst
ixpk= 34, nxpk= 26, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1003,1004,1005,1007,1008,1009,
&end
#
# 6 PRO HB+ 47 TRP HE3 6.00 (# 35:26 Unique 2.16, 3.20 A)
&rst
ixpk= 35, nxpk= 26, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 81, 82,
&end
#
# 47 TRP HB- 47 TRP HE3 6.00 (# 36:26 Unique 2.42, 3.04 A)
&rst
ixpk= 36, nxpk= 26, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 676, 677,
&end
#
# 47 TRP HZ3 47 TRP HE3 6.00 (# 38:26 Unique 2.46, 2.46 A)
&rst
ixpk= 38, nxpk= 26, iat= 689, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 VAL HN 47 TRP HE3 6.00 (# 39:26 Unique 3.77, 4.08 A)
&rst
ixpk= 39, nxpk= 26, iat= 696, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 TYR HA 86 TYR HE 6.00 (# 41:26 Unique 4.35, 5.30 A)
&rst
ixpk= 41, nxpk= 26, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1272,1277,
&end
#
# 86 TYR HD 86 TYR HE 3.50 (# 42:26 Unique 2.46, 3.69 A)
&rst
ixpk= 42, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1270,1279,
igr2=1272,1277,
&end
#
# 51 HIS HB+ 51 HIS HD2 6.00 (# 43:26 Unique 2.72, 3.40 A)
&rst
ixpk= 43, nxpk= 26, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 751, 752,
&end
#
# 0 AMB 26-2:44 51 HIS HD2 6.00 (# 44:26 Single Ambig)
&rst
ixpk= 44, nxpk= 26, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 791, 792, 751, 752,
&end
#
# 0 AMB 26-2:46 47 TRP HZ2 6.00 (# 46:26 Single Ambig)
&rst
ixpk= 46, nxpk= 26, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 898, 899, 901, 902,
&end
#
# 47 TRP HE1 47 TRP HZ2 4.50 (# 48:26 Unique 2.82, 2.82 A)
&rst
ixpk= 48, nxpk= 26, iat= 682, 685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 PHE HA 54 PHE HD 6.00 (# 49:26 Unique 2.74, 3.56 A)
&rst
ixpk= 49, nxpk= 26, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 795, 803,
&end
#
# 89 GLU HA 90 LYS HN 4.50 (# 0:17 Unique 2.21, 2.89 A)
&rst
ixpk= 0, nxpk= 17, iat=1307,1320, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 GLU HB+ 90 LYS HN 6.00 (# 1:17 Unique 1.92, 3.89 A)
&rst
ixpk= 1, nxpk= 17, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1309,1310,
&end
#
# 0 AMB 17-2:3 90 LYS HN 6.00 (# 3:17 Single Ambig)
&rst
ixpk= 3, nxpk= 17, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1327,1328,1327,1328,
&end
#
# 0 AMB 17-2:4 90 LYS HN 6.00 (# 4:17 Single Ambig)
&rst
ixpk= 4, nxpk= 17, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1330,1331,1330,1331,
&end
#
# 0 AMB 17-2:5 89 GLU HN 2.80 (# 5:17 Single Ambig)
&rst
ixpk= 5, nxpk= 17, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1292,1307,
&end
#
# 0 AMB 17-2:6 89 GLU HN 6.00 (# 6:17 Single Ambig)
&rst
ixpk= 6, nxpk= 17, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1312,1313,1312,1313,
&end
#
# 0 AMB 17-2:7 89 GLU HN 3.50 (# 7:17 Single Ambig)
&rst
ixpk= 7, nxpk= 17, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1309,1310,1294,1295,
&end
#
# 90 LYS HN 89 GLU HN 6.00 (# 8:17 Unique 1.95, 3.01 A)
&rst
ixpk= 8, nxpk= 17, iat=1320,1305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:10 88 GLU HN 6.00 (# 10:17 Single Ambig)
&rst
ixpk= 10, nxpk= 17, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1297,1298,1297,1298,
&end
#
# 88 GLU HB- 88 GLU HN 4.50 (# 11:17 Unique 2.19, 3.00 A)
&rst
ixpk= 11, nxpk= 17, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1294,1295,
&end
#
# 88 GLU HA 88 GLU HN 6.00 (# 12:17 Unique 2.28, 2.82 A)
&rst
ixpk= 12, nxpk= 17, iat=1292,1290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 87 GLY HA+ 88 GLU HN 4.50 (# 13:17 Unique 2.14, 2.71 A)
&rst
ixpk= 13, nxpk= 17, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1285,1286,
&end
#
# 84 LEU MDX 88 GLU HN 6.00 (# 14:17 Unique 5.56, 8.94 A)
&rst
ixpk= 14, nxpk= 17, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 83 ALA HA 87 GLY HN 6.00 (# 15:17 Unique 2.66, 3.50 A)
&rst
ixpk= 15, nxpk= 17, iat=1216,1283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 87 GLY HA+ 87 GLY HN 4.50 (# 16:17 Unique 2.29, 2.65 A)
&rst
ixpk= 16, nxpk= 17, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1285,1286,
&end
#
# 86 TYR HA 87 GLY HN 6.00 (# 17:17 Unique 3.47, 3.53 A)
&rst
ixpk= 17, nxpk= 17, iat=1264,1283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 TYR HB- 87 GLY HN 6.00 (# 19:17 Unique 2.16, 3.15 A)
&rst
ixpk= 19, nxpk= 17, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1266,1267,
&end
#
# 88 GLU HN 87 GLY HN 4.50 (# 20:17 Unique 2.59, 4.11 A)
&rst
ixpk= 20, nxpk= 17, iat=1290,1283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 TYR HB- 86 TYR HN 6.00 (# 21:17 Unique 2.07, 2.91 A)
&rst
ixpk= 21, nxpk= 17, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1266,1267,
&end
#
# 86 TYR HB+ 86 TYR HN 6.00 (# 22:17 Unique 2.07, 2.91 A)
&rst
ixpk= 22, nxpk= 17, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1266,1267,
&end
#
# 0 AMB 17-2:23 86 TYR HN 4.50 (# 23:17 Single Ambig)
&rst
ixpk= 23, nxpk= 17, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1245,1226,
&end
#
# 86 TYR HA 86 TYR HN 6.00 (# 25:17 Unique 2.76, 2.82 A)
&rst
ixpk= 25, nxpk= 17, iat=1264,1262, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 TYR HD 86 TYR HN 6.00 (# 26:17 Unique 1.96, 3.82 A)
&rst
ixpk= 26, nxpk= 17, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1270,1279,
&end
#
# 85 LEU HB+ 86 TYR HN 6.00 (# 27:17 Unique 2.02, 2.80 A)
&rst
ixpk= 27, nxpk= 17, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1247,1248,
&end
#
# 85 LEU HB- 86 TYR HN 6.00 (# 28:17 Unique 2.02, 2.80 A)
&rst
ixpk= 28, nxpk= 17, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1247,1248,
&end
#
# 0 AMB 17-2:29 86 TYR HN 6.00 (# 29:17 Single Ambig)
&rst
ixpk= 29, nxpk= 17, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1252,1253,1254,1256,1257,1258,1252,1253,1254,1256,
1257,1258,
&end
#
# 81 VAL MGX 86 TYR HN 6.00 (# 30:17 Unique 5.62, 7.99 A)
&rst
ixpk= 30, nxpk= 17, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1197,1198,1199,1201,1202,1203,
&end
#
# 84 LEU HB- 85 LEU HN 2.80 (# 32:17 Unique 2.10, 3.36 A)
&rst
ixpk= 32, nxpk= 17, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1228,1229,
&end
#
# 85 LEU HB- 85 LEU HN 4.50 (# 33:17 Unique 2.05, 2.74 A)
&rst
ixpk= 33, nxpk= 17, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1247,1248,
&end
#
# 81 VAL MGX 85 LEU HN 6.00 (# 34:17 Unique 4.68, 6.34 A)
&rst
ixpk= 34, nxpk= 17, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1197,1198,1199,1201,1202,1203,
&end
#
# 85 LEU MDX 85 LEU HN 4.50 (# 35:17 Unique 2.35, 4.57 A)
&rst
ixpk= 35, nxpk= 17, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1252,1253,1254,1256,1257,1258,
&end
#
# 84 LEU HB+ 85 LEU HN 4.50 (# 36:17 Unique 2.10, 3.36 A)
&rst
ixpk= 36, nxpk= 17, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1228,1229,
&end
#
# 0 AMB 17-2:37 85 LEU HN 3.50 (# 37:17 Single Ambig)
&rst
ixpk= 37, nxpk= 17, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1245,1226,
&end
#
# 84 LEU HN 85 LEU HN 4.50 (# 38:17 Unique 2.15, 2.46 A)
&rst
ixpk= 38, nxpk= 17, iat=1224,1243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:39 84 LEU HN 6.00 (# 39:17 Single Ambig)
&rst
ixpk= 39, nxpk= 17, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1226,1216,
&end
#
# 84 LEU HB+ 84 LEU HN 6.00 (# 40:17 Unique 2.73, 3.23 A)
&rst
ixpk= 40, nxpk= 17, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1228,1229,
&end
#
# 84 LEU HB- 84 LEU HN 6.00 (# 41:17 Unique 2.73, 3.23 A)
&rst
ixpk= 41, nxpk= 17, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1228,1229,
&end
#
# 83 ALA MB 83 ALA HN 4.50 (# 42:17 Unique 2.07, 2.92 A)
&rst
ixpk= 42, nxpk= 17, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1218,1219,1220,
&end
#
# 82 GLY HA- 83 ALA HN 6.00 (# 43:17 Unique 2.69, 3.22 A)
&rst
ixpk= 43, nxpk= 17, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1209,1210,
&end
#
# 82 GLY HA+ 83 ALA HN 4.50 (# 44:17 Unique 2.69, 3.22 A)
&rst
ixpk= 44, nxpk= 17, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1209,1210,
&end
#
# 83 ALA HA 83 ALA HN 4.50 (# 45:17 Unique 2.79, 2.86 A)
&rst
ixpk= 45, nxpk= 17, iat=1216,1214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 ASP HA 83 ALA HN 6.00 (# 46:17 Unique 3.46, 3.85 A)
&rst
ixpk= 46, nxpk= 17, iat=1181,1214, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLY HN 83 ALA HN 6.00 (# 48:17 Unique 2.29, 2.65 A)
&rst
ixpk= 48, nxpk= 17, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 LEU MDY 83 ALA HN 6.00 (# 49:17 Unique 2.93, 5.40 A)
&rst
ixpk= 49, nxpk= 17, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1233,1234,1235,1237,1238,1239,
&end
#
# 81 VAL MGY 82 GLY HN 6.00 (# 50:17 Unique 2.02, 4.08 A)
&rst
ixpk= 50, nxpk= 17, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1197,1198,1199,1201,1202,1203,
&end
#
# 0 AMB 17-2:51 82 GLY HN 6.00 (# 51:17 Single Ambig)
&rst
ixpk= 51, nxpk= 17, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1218,1219,1220,1247,1248,
&end
#
# 81 VAL HB 82 GLY HN 6.00 (# 52:17 Unique 3.86, 3.95 A)
&rst
ixpk= 52, nxpk= 17, iat=1195,1207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 VAL MGX 46 GLN HE2- 6.00 (# 53:17 Unique 3.27, 6.21 A)
&rst
ixpk= 53, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 851, 852, 853, 855, 856, 857,
igr2= 667, 668,
&end
#
# 82 GLY HA- 82 GLY HN 2.80 (# 54:17 Unique 2.29, 2.57 A)
&rst
ixpk= 54, nxpk= 17, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1209,1210,
&end
#
# 82 GLY HA+ 82 GLY HN 2.80 (# 55:17 Unique 2.29, 2.57 A)
&rst
ixpk= 55, nxpk= 17, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1209,1210,
&end
#
# 79 PRO HA 82 GLY HN 6.00 (# 56:17 Unique 3.08, 3.71 A)
&rst
ixpk= 56, nxpk= 17, iat=1175,1207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:57 82 GLY HN 6.00 (# 57:17 Single Ambig)
&rst
ixpk= 57, nxpk= 17, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1181,1152,
&end
#
# 0 AMB 17-2:59 82 GLY HN 4.50 (# 59:17 Single Ambig)
&rst
ixpk= 59, nxpk= 17, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1191,1214,
&end
#
# 80 ASP HB- 82 GLY HN 6.00 (# 60:17 Unique 4.07, 4.99 A)
&rst
ixpk= 60, nxpk= 17, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1183,1184,
&end
#
# 81 VAL HA 81 VAL HN 4.50 (# 61:17 Unique 2.76, 2.82 A)
&rst
ixpk= 61, nxpk= 17, iat=1193,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:62 81 VAL HN 4.50 (# 62:17 Single Ambig)
&rst
ixpk= 62, nxpk= 17, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1181,1152,
&end
#
# 81 VAL HB 81 VAL HN 4.50 (# 63:17 Unique 3.60, 3.62 A)
&rst
ixpk= 63, nxpk= 17, iat=1195,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 VAL MGX 81 VAL HN 3.50 (# 64:17 Unique 1.96, 3.04 A)
&rst
ixpk= 64, nxpk= 17, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1197,1198,1199,1201,1202,1203,
&end
#
# 80 ASP HB+ 81 VAL HN 6.00 (# 65:17 Unique 2.02, 3.11 A)
&rst
ixpk= 65, nxpk= 17, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1183,1184,
&end
#
# 82 GLY HN 81 VAL HN 4.50 (# 66:17 Unique 2.23, 2.60 A)
&rst
ixpk= 66, nxpk= 17, iat=1207,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 ASP HB- 80 ASP HN 3.50 (# 67:17 Unique 2.20, 2.96 A)
&rst
ixpk= 67, nxpk= 17, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1183,1184,
&end
#
# 79 PRO HB+ 80 ASP HN 4.50 (# 68:17 Unique 3.43, 4.17 A)
&rst
ixpk= 68, nxpk= 17, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1172,1173,
&end
#
# 78 GLU HB- 80 ASP HN 4.50 (# 69:17 Unique 2.36, 4.71 A)
&rst
ixpk= 69, nxpk= 17, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1154,1155,
&end
#
# 0 AMB 17-2:71 80 ASP HN 6.00 (# 71:17 Single Ambig)
&rst
ixpk= 71, nxpk= 17, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1166,1167,1166,1167,
&end
#
# 79 PRO HA 80 ASP HN 3.50 (# 72:17 Unique 2.16, 2.66 A)
&rst
ixpk= 72, nxpk= 17, iat=1175,1179, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 17-2:73 80 ASP HN 4.50 (# 73:17 Single Ambig)
&rst
ixpk= 73, nxpk= 17, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1181,1152,
&end
#
# 0 AMB 17-2:75 78 GLU HN 6.00 (# 75:17 Single Ambig)
&rst
ixpk= 75, nxpk= 17, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
&end
#
# 78 GLU HB- 78 GLU HN 4.50 (# 76:17 Unique 2.32, 3.64 A)
&rst
ixpk= 76, nxpk= 17, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1154,1155,
&end
#
# 0 AMB 17-2:77 78 GLU HN 4.50 (# 77:17 Single Ambig)
&rst
ixpk= 77, nxpk= 17, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1138,1154,1155,
&end
#
# 0 AMB 17-2:78 78 GLU HN 4.50 (# 78:17 Single Ambig)
&rst
ixpk= 78, nxpk= 17, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1157,1158,1157,1158,
&end
#
# 0 AMB 17-2:79 78 GLU HN 6.00 (# 79:17 Single Ambig)
&rst
ixpk= 79, nxpk= 17, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1166,1167,1166,1167,
&end
#
# 77 VAL HA 78 GLU HN 3.50 (# 80:17 Unique 2.14, 2.88 A)
&rst
ixpk= 80, nxpk= 17, iat=1136,1150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 GLU HA 78 GLU HN 6.00 (# 81:17 Unique 2.27, 2.59 A)
&rst
ixpk= 81, nxpk= 17, iat=1152,1150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 VAL HN 78 GLU HN 6.00 (# 82:17 Unique 2.31, 3.50 A)
&rst
ixpk= 82, nxpk= 17, iat=1134,1150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:83 77 VAL HN 3.50 (# 83:17 Single Ambig)
&rst
ixpk= 83, nxpk= 17, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
&end
#
# 77 VAL HB 77 VAL HN 4.50 (# 84:17 Unique 2.40, 3.16 A)
&rst
ixpk= 84, nxpk= 17, iat=1138,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ASN HB- 72 GLN HN 6.00 (# 86:17 Unique 4.49, 5.45 A)
&rst
ixpk= 86, nxpk= 17, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1075,1076,
&end
#
# 77 VAL HA 77 VAL HN 4.50 (# 87:17 Unique 2.77, 2.89 A)
&rst
ixpk= 87, nxpk= 17, iat=1136,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:88 77 VAL HN 3.50 (# 88:17 Single Ambig)
&rst
ixpk= 88, nxpk= 17, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1124,1104,
&end
#
# 78 GLU HN 77 VAL HN 4.50 (# 89:17 Unique 2.31, 3.50 A)
&rst
ixpk= 89, nxpk= 17, iat=1150,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 ASP HB+ 76 ASP HN 4.50 (# 90:17 Unique 2.16, 2.83 A)
&rst
ixpk= 90, nxpk= 17, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1126,1127,
&end
#
# 75 PHE HB- 76 ASP HN 6.00 (# 91:17 Unique 2.33, 3.43 A)
&rst
ixpk= 91, nxpk= 17, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1106,1107,
&end
#
# 75 PHE HB+ 76 ASP HN 6.00 (# 92:17 Unique 2.33, 3.43 A)
&rst
ixpk= 92, nxpk= 17, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1106,1107,
&end
#
# 84 LEU HA 88 GLU HN 6.00 (# 93:17 Unique 2.90, 5.14 A)
&rst
ixpk= 93, nxpk= 17, iat=1226,1290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 75 PHE HD 75 PHE HN 6.00 (# 94:17 Unique 1.94, 4.37 A)
&rst
ixpk= 94, nxpk= 17, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1110,1118,
&end
#
# 69 ASP HA 69 ASP HN 4.50 (# 96:17 Unique 2.83, 2.89 A)
&rst
ixpk= 96, nxpk= 17, iat=1015,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:97 69 ASP HN 4.50 (# 97:17 Single Ambig)
&rst
ixpk= 97, nxpk= 17, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 996, 982,
&end
#
# 65 ARG HA 69 ASP HN 6.00 (# 98:17 Unique 4.18, 4.59 A)
&rst
ixpk= 98, nxpk= 17, iat= 946,1013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ASP HB+ 69 ASP HN 3.50 (# 99:17 Unique 2.22, 2.61 A)
&rst
ixpk= 99, nxpk= 17, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1017,1018,
&end
#
# 45 GLY HA- 46 GLN HN 6.00 (# 100:17 Unique 2.81, 3.20 A)
&rst
ixpk= 100, nxpk= 17, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 650, 651,
&end
#
# 0 AMB 17-2:101 0 AMB 17-1:101 6.00 (# 101:17 Double Ambig)
&rst
ixpk= 101, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1106,1107, 618, 619, 634,
igr2=1085, 655,
&end
#
# 73 ASN HB- 74 MET HN 6.00 (# 102:17 Unique 2.95, 3.40 A)
&rst
ixpk= 102, nxpk= 17, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1075,1076,
&end
#
# 74 MET HG- 74 MET HN 6.00 (# 103:17 Unique 2.47, 4.12 A)
&rst
ixpk= 103, nxpk= 17, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1092,1093,
&end
#
# 46 GLN HB+ 46 GLN HN 3.50 (# 104:17 Unique 2.09, 2.81 A)
&rst
ixpk= 104, nxpk= 17, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 659, 660,
&end
#
# 0 AMB 17-2:105 74 MET HN 3.50 (# 105:17 Single Ambig)
&rst
ixpk= 105, nxpk= 17, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1089,1090,1089,1090,
&end
#
# 49 LEU MDX 49 LEU HN 4.50 (# 106:17 Unique 2.15, 3.84 A)
&rst
ixpk= 106, nxpk= 17, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 721, 722, 723, 725, 726, 727,
&end
#
# 48 VAL MGY 49 LEU HN 4.50 (# 107:17 Unique 1.96, 3.98 A)
&rst
ixpk= 107, nxpk= 17, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 0 AMB 17-2:108 0 AMB 17-1:108 4.50 (# 108:17 Double Ambig)
&rst
ixpk= 108, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 610,1037,
igr2= 655,1085,
&end
#
# 0 AMB 17-2:109 0 AMB 17-1:109 4.50 (# 109:17 Double Ambig)
&rst
ixpk= 109, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 714, 657,
igr2= 712, 655,
&end
#
# 73 ASN HA 74 MET HN 6.00 (# 110:17 Unique 3.42, 3.46 A)
&rst
ixpk= 110, nxpk= 17, iat=1073,1085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 GLY HN 46 GLN HN 4.50 (# 111:17 Unique 2.19, 2.33 A)
&rst
ixpk= 111, nxpk= 17, iat= 648, 655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:112 46 GLN HN 6.00 (# 112:17 Single Ambig)
&rst
ixpk= 112, nxpk= 17, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 672, 112,
&end
#
# 0 AMB 17-2:113 73 ASN HN 6.00 (# 113:17 Single Ambig)
&rst
ixpk= 113, nxpk= 17, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1058,1059,1058,1059,
&end
#
# 72 GLN HG+ 73 ASN HN 6.00 (# 114:17 Unique 2.51, 4.88 A)
&rst
ixpk= 114, nxpk= 17, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1061,1062,
&end
#
# 73 ASN HB- 73 ASN HN 4.50 (# 115:17 Unique 2.14, 2.90 A)
&rst
ixpk= 115, nxpk= 17, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1075,1076,
&end
#
# 0 AMB 17-2:116 73 ASN HN 6.00 (# 116:17 Single Ambig)
&rst
ixpk= 116, nxpk= 17, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1056,1037,
&end
#
# 73 ASN HA 73 ASN HN 6.00 (# 117:17 Unique 2.78, 2.86 A)
&rst
ixpk= 117, nxpk= 17, iat=1073,1071, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 71 LEU HG 72 GLN HN 6.00 (# 118:17 Unique 2.28, 2.43 A)
&rst
ixpk= 118, nxpk= 17, iat=1042,1054, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:119 72 GLN HN 4.50 (# 119:17 Single Ambig)
&rst
ixpk= 119, nxpk= 17, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1039,1040,1029,1030,1031,
&end
#
# 71 LEU HB+ 72 GLN HN 4.50 (# 120:17 Unique 3.86, 4.01 A)
&rst
ixpk= 120, nxpk= 17, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1039,1040,
&end
#
# 0 AMB 17-2:121 72 GLN HN 4.50 (# 121:17 Single Ambig)
&rst
ixpk= 121, nxpk= 17, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1058,1059,1058,1059,
&end
#
# 72 GLN HA 72 GLN HN 4.50 (# 123:17 Unique 2.76, 2.79 A)
&rst
ixpk= 123, nxpk= 17, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 ASP HA 72 GLN HN 6.00 (# 124:17 Unique 2.99, 3.32 A)
&rst
ixpk= 124, nxpk= 17, iat=1015,1054, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:126 71 LEU HN 4.50 (# 126:17 Single Ambig)
&rst
ixpk= 126, nxpk= 17, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
&end
#
# 0 AMB 17-2:127 71 LEU HN 2.80 (# 127:17 Single Ambig)
&rst
ixpk= 127, nxpk= 17, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1039,1040,1029,1030,1031,
&end
#
# 71 LEU HB+ 71 LEU HN 2.80 (# 128:17 Unique 2.42, 3.12 A)
&rst
ixpk= 128, nxpk= 17, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1039,1040,
&end
#
# 70 ALA HN 71 LEU HN 3.50 (# 129:17 Unique 2.30, 2.67 A)
&rst
ixpk= 129, nxpk= 17, iat=1025,1035, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 THR HA 71 LEU HN 4.50 (# 130:17 Unique 3.43, 3.77 A)
&rst
ixpk= 130, nxpk= 17, iat= 982,1035, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 LEU HA 71 LEU HN 4.50 (# 131:17 Unique 2.76, 2.86 A)
&rst
ixpk= 131, nxpk= 17, iat=1037,1035, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 ALA MB 70 ALA HN 2.80 (# 132:17 Unique 2.06, 2.89 A)
&rst
ixpk= 132, nxpk= 17, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1029,1030,1031,
&end
#
# 71 LEU HB+ 70 ALA HN 6.00 (# 133:17 Unique 4.69, 5.69 A)
&rst
ixpk= 133, nxpk= 17, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1039,1040,
&end
#
# 69 ASP HB- 70 ALA HN 4.50 (# 134:17 Unique 2.60, 3.30 A)
&rst
ixpk= 134, nxpk= 17, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1017,1018,
&end
#
# 67 THR HA 70 ALA HN 4.50 (# 135:17 Unique 2.91, 3.04 A)
&rst
ixpk= 135, nxpk= 17, iat= 982,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 ALA HA 70 ALA HN 3.50 (# 136:17 Unique 2.76, 2.82 A)
&rst
ixpk= 136, nxpk= 17, iat=1027,1025, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 ASP HA 70 ALA HN 4.50 (# 137:17 Unique 3.34, 3.49 A)
&rst
ixpk= 137, nxpk= 17, iat=1015,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 LEU HN 70 ALA HN 2.80 (# 138:17 Unique 2.30, 2.67 A)
&rst
ixpk= 138, nxpk= 17, iat=1035,1025, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 68 LEU HN 70 ALA HN 6.00 (# 139:17 Unique 3.78, 4.00 A)
&rst
ixpk= 139, nxpk= 17, iat= 994,1025, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HE3 8 GLN HN 4.50 (# 140:17 Unique 4.29, 4.50 A)
&rst
ixpk= 140, nxpk= 17, iat= 691, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 THR MG2 70 ALA HN 6.00 (# 141:17 Unique 3.84, 5.25 A)
&rst
ixpk= 141, nxpk= 17, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 986, 987, 988,
&end
#
# 0 AMB 17-2:142 70 ALA HN 6.00 (# 142:17 Single Ambig)
&rst
ixpk= 142, nxpk= 17, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
&end
#
# 64 ALA MB 68 LEU HN 6.00 (# 144:17 Unique 4.67, 5.48 A)
&rst
ixpk= 144, nxpk= 17, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 938, 939, 940,
&end
#
# 0 AMB 17-2:145 68 LEU HN 4.50 (# 145:17 Single Ambig)
&rst
ixpk= 145, nxpk= 17, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1003,1004,1005,1007,1008,1009,1044,1045,1046,1048,
1049,1050,1044,1045,1046,1048,1049,1050,
&end
#
# 67 THR MG2 68 LEU HN 6.00 (# 146:17 Unique 3.85, 4.56 A)
&rst
ixpk= 146, nxpk= 17, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 986, 987, 988,
&end
#
# 68 LEU HG 68 LEU HN 3.50 (# 147:17 Unique 2.58, 2.91 A)
&rst
ixpk= 147, nxpk= 17, iat=1001, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 LEU HB+ 68 LEU HN 3.50 (# 148:17 Unique 2.14, 2.85 A)
&rst
ixpk= 148, nxpk= 17, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 998, 999,
&end
#
# 6 PRO HB- 68 LEU HN 6.00 (# 149:17 Unique 5.11, 5.87 A)
&rst
ixpk= 149, nxpk= 17, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 81, 82,
&end
#
# 6 PRO HG+ 68 LEU HN 6.00 (# 150:17 Unique 3.36, 3.83 A)
&rst
ixpk= 150, nxpk= 17, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 78, 79,
&end
#
# 69 ASP HB+ 68 LEU HN 6.00 (# 151:17 Unique 4.71, 5.18 A)
&rst
ixpk= 151, nxpk= 17, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1017,1018,
&end
#
# 64 ALA HA 68 LEU HN 6.00 (# 152:17 Unique 3.86, 4.04 A)
&rst
ixpk= 152, nxpk= 17, iat= 936, 994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 ARG HA 68 LEU HN 6.00 (# 153:17 Unique 3.17, 3.36 A)
&rst
ixpk= 153, nxpk= 17, iat= 946, 994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 THR HA 68 LEU HN 4.50 (# 154:17 Unique 3.44, 3.49 A)
&rst
ixpk= 154, nxpk= 17, iat= 982, 994, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 THR HB 68 LEU HN 4.50 (# 155:17 Unique 2.72, 2.88 A)
&rst
ixpk= 155, nxpk= 17, iat= 984, 994, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 ASP HA 68 LEU HN 6.00 (# 156:17 Unique 4.17, 4.38 A)
&rst
ixpk= 156, nxpk= 17, iat= 970, 994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 ALA HN 68 LEU HN 6.00 (# 157:17 Unique 3.78, 4.00 A)
&rst
ixpk= 157, nxpk= 17, iat=1025, 994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ASP HN 68 LEU HN 2.80 (# 158:17 Unique 2.68, 2.76 A)
&rst
ixpk= 158, nxpk= 17, iat=1013, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 ASP HN 68 LEU HN 6.00 (# 159:17 Unique 3.71, 3.92 A)
&rst
ixpk= 159, nxpk= 17, iat= 968, 994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 LEU HN 67 THR HN 4.50 (# 160:17 Unique 2.18, 2.30 A)
&rst
ixpk= 160, nxpk= 17, iat= 994, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 ASP HA 67 THR HN 6.00 (# 161:17 Unique 3.43, 3.47 A)
&rst
ixpk= 161, nxpk= 17, iat= 970, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 THR HB 67 THR HN 3.50 (# 162:17 Unique 2.48, 2.51 A)
&rst
ixpk= 162, nxpk= 17, iat= 984, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 THR HA 67 THR HN 4.50 (# 163:17 Unique 2.86, 2.90 A)
&rst
ixpk= 163, nxpk= 17, iat= 982, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ALA HA 67 THR HN 6.00 (# 164:17 Unique 3.30, 3.39 A)
&rst
ixpk= 164, nxpk= 17, iat= 936, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ASP HB- 67 THR HN 4.50 (# 165:17 Unique 2.68, 3.34 A)
&rst
ixpk= 165, nxpk= 17, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 972, 973,
&end
#
# 63 GLU HB+ 67 THR HN 6.00 (# 166:17 Unique 4.92, 5.68 A)
&rst
ixpk= 166, nxpk= 17, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 923, 924,
&end
#
# 0 AMB 17-2:167 67 THR HN 6.00 (# 167:17 Single Ambig)
&rst
ixpk= 167, nxpk= 17, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 998, 999, 948, 949,
&end
#
# 68 LEU HG 67 THR HN 6.00 (# 168:17 Unique 4.05, 4.76 A)
&rst
ixpk= 168, nxpk= 17, iat=1001, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 THR MG2 67 THR HN 6.00 (# 169:17 Unique 4.40, 4.56 A)
&rst
ixpk= 169, nxpk= 17, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 986, 987, 988,
&end
#
# 0 AMB 17-2:170 67 THR HN 6.00 (# 170:17 Single Ambig)
&rst
ixpk= 170, nxpk= 17, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 874, 875, 876, 721, 722, 723, 725, 726, 727,
&end
#
# 66 ASP HA 66 ASP HN 3.50 (# 171:17 Unique 2.82, 2.85 A)
&rst
ixpk= 171, nxpk= 17, iat= 970, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 ARG HA 66 ASP HN 4.50 (# 172:17 Unique 3.46, 3.50 A)
&rst
ixpk= 172, nxpk= 17, iat= 946, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 GLU HA 66 ASP HN 4.50 (# 173:17 Unique 3.31, 3.45 A)
&rst
ixpk= 173, nxpk= 17, iat= 921, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ALA HA 66 ASP HN 6.00 (# 174:17 Unique 4.00, 4.21 A)
&rst
ixpk= 174, nxpk= 17, iat= 936, 968, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:175 66 ASP HN 6.00 (# 175:17 Single Ambig)
&rst
ixpk= 175, nxpk= 17, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 954, 955, 954, 955,
&end
#
# 66 ASP HB- 66 ASP HN 2.80 (# 176:17 Unique 2.17, 2.58 A)
&rst
ixpk= 176, nxpk= 17, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 972, 973,
&end
#
# 65 ARG HB+ 66 ASP HN 2.80 (# 177:17 Unique 2.62, 3.36 A)
&rst
ixpk= 177, nxpk= 17, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 948, 949,
&end
#
# 65 ARG HG+ 66 ASP HN 4.50 (# 178:17 Unique 3.42, 4.50 A)
&rst
ixpk= 178, nxpk= 17, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 951, 952,
&end
#
# 64 ALA MB 66 ASP HN 6.00 (# 179:17 Unique 4.76, 5.37 A)
&rst
ixpk= 179, nxpk= 17, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 938, 939, 940,
&end
#
# 65 ARG HA 65 ARG HN 4.50 (# 180:17 Unique 2.77, 2.81 A)
&rst
ixpk= 180, nxpk= 17, iat= 946, 944, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ALA HA 65 ARG HN 6.00 (# 181:17 Unique 3.50, 3.54 A)
&rst
ixpk= 181, nxpk= 17, iat= 936, 944, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 ALA HA 65 ARG HN 6.00 (# 182:17 Unique 3.38, 3.52 A)
&rst
ixpk= 182, nxpk= 17, iat= 911, 944, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 ALA HN 65 ARG HN 2.80 (# 183:17 Unique 2.63, 2.76 A)
&rst
ixpk= 183, nxpk= 17, iat= 934, 944, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 65 ARG HB+ 65 ARG HN 3.50 (# 184:17 Unique 2.25, 2.83 A)
&rst
ixpk= 184, nxpk= 17, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 948, 949,
&end
#
# 65 ARG HG+ 65 ARG HN 4.50 (# 185:17 Unique 2.04, 3.51 A)
&rst
ixpk= 185, nxpk= 17, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 951, 952,
&end
#
# 64 ALA MB 65 ARG HN 4.50 (# 186:17 Unique 2.40, 3.39 A)
&rst
ixpk= 186, nxpk= 17, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 938, 939, 940,
&end
#
# 63 GLU HA 64 ALA HN 6.00 (# 187:17 Unique 3.50, 3.54 A)
&rst
ixpk= 187, nxpk= 17, iat= 921, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 ALA HA 64 ALA HN 6.00 (# 188:17 Unique 2.76, 2.79 A)
&rst
ixpk= 188, nxpk= 17, iat= 936, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 GLU HA 64 ALA HN 6.00 (# 189:17 Unique 3.74, 3.84 A)
&rst
ixpk= 189, nxpk= 17, iat= 896, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 GLU HN 64 ALA HN 2.80 (# 190:17 Unique 2.78, 2.86 A)
&rst
ixpk= 190, nxpk= 17, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 17-2:191 64 ALA HN 6.00 (# 191:17 Single Ambig)
&rst
ixpk= 191, nxpk= 17, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 926, 927, 78, 79,
&end
#
# 63 GLU HB+ 64 ALA HN 4.50 (# 192:17 Unique 2.42, 3.00 A)
&rst
ixpk= 192, nxpk= 17, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 923, 924,
&end
#
# 63 GLU HB- 64 ALA HN 4.50 (# 193:17 Unique 2.42, 3.00 A)
&rst
ixpk= 193, nxpk= 17, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 923, 924,
&end
#
# 59 ILE HG1- 64 ALA HN 6.00 (# 194:17 Unique 3.20, 4.30 A)
&rst
ixpk= 194, nxpk= 17, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 871, 872,
&end
#
# 64 ALA MB 64 ALA HN 3.50 (# 195:17 Unique 2.17, 2.88 A)
&rst
ixpk= 195, nxpk= 17, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 938, 939, 940,
&end
#
# 61 GLU HN 64 ALA HN 6.00 (# 196:17 Unique 5.10, 5.21 A)
&rst
ixpk= 196, nxpk= 17, iat= 894, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 GLU HA 63 GLU HN 4.50 (# 197:17 Unique 2.75, 2.75 A)
&rst
ixpk= 197, nxpk= 17, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ALA HN 63 GLU HN 3.50 (# 198:17 Unique 2.51, 2.61 A)
&rst
ixpk= 198, nxpk= 17, iat= 909, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ASN HN 63 GLU HN 6.00 (# 199:17 Unique 3.33, 3.49 A)
&rst
ixpk= 199, nxpk= 17, iat= 880, 919, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 ASN HB- 63 GLU HN 6.00 (# 200:17 Unique 3.23, 4.17 A)
&rst
ixpk= 200, nxpk= 17, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 884, 885,
&end
#
# 63 GLU HG- 63 GLU HN 6.00 (# 201:17 Unique 2.33, 3.18 A)
&rst
ixpk= 201, nxpk= 17, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 926, 927,
&end
#
# 0 AMB 17-2:202 63 GLU HN 4.50 (# 202:17 Single Ambig)
&rst
ixpk= 202, nxpk= 17, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 923, 924, 926, 927,
&end
#
# 63 GLU HB- 63 GLU HN 4.50 (# 203:17 Unique 2.21, 2.93 A)
&rst
ixpk= 203, nxpk= 17, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 923, 924,
&end
#
# 62 ALA MB 63 GLU HN 4.50 (# 204:17 Unique 2.18, 3.14 A)
&rst
ixpk= 204, nxpk= 17, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 913, 914, 915,
&end
#
# 59 ILE MD1 63 GLU HN 6.00 (# 205:17 Unique 3.90, 5.11 A)
&rst
ixpk= 205, nxpk= 17, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 874, 875, 876,
&end
#
# 62 ALA HA 62 ALA HN 3.50 (# 206:17 Unique 2.86, 2.88 A)
&rst
ixpk= 206, nxpk= 17, iat= 911, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ASN HA 62 ALA HN 6.00 (# 207:17 Unique 4.19, 4.25 A)
&rst
ixpk= 207, nxpk= 17, iat= 882, 909, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 GLU HN 62 ALA HN 2.80 (# 208:17 Unique 2.51, 2.61 A)
&rst
ixpk= 208, nxpk= 17, iat= 919, 909, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 GLU HN 62 ALA HN 2.80 (# 209:17 Unique 2.42, 2.44 A)
&rst
ixpk= 209, nxpk= 17, iat= 894, 909, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 ASN HB+ 62 ALA HN 4.50 (# 210:17 Unique 2.05, 2.88 A)
&rst
ixpk= 210, nxpk= 17, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 884, 885,
&end
#
# 60 ASN HB- 62 ALA HN 4.50 (# 211:17 Unique 2.05, 2.88 A)
&rst
ixpk= 211, nxpk= 17, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 884, 885,
&end
#
# 0 AMB 17-2:212 62 ALA HN 3.50 (# 212:17 Single Ambig)
&rst
ixpk= 212, nxpk= 17, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 898, 899, 901, 902,
&end
#
# 63 GLU HG- 62 ALA HN 6.00 (# 213:17 Unique 4.45, 5.51 A)
&rst
ixpk= 213, nxpk= 17, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 926, 927,
&end
#
# 62 ALA MB 62 ALA HN 2.80 (# 214:17 Unique 2.52, 2.92 A)
&rst
ixpk= 214, nxpk= 17, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 913, 914, 915,
&end
#
# 59 ILE HG1+ 62 ALA HN 6.00 (# 215:17 Unique 5.39, 6.36 A)
&rst
ixpk= 215, nxpk= 17, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 871, 872,
&end
#
# 64 ALA MB 62 ALA HN 6.00 (# 216:17 Unique 4.71, 5.81 A)
&rst
ixpk= 216, nxpk= 17, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 938, 939, 940,
&end
#
# 61 GLU HG+ 61 GLU HN 2.80 (# 217:17 Unique 1.93, 2.38 A)
&rst
ixpk= 217, nxpk= 17, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 901, 902,
&end
#
# 0 AMB 17-2:218 61 GLU HN 6.00 (# 218:17 Single Ambig)
&rst
ixpk= 218, nxpk= 17, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 913, 914, 915, 871, 872,
&end
#
# 64 ALA MB 61 GLU HN 6.00 (# 219:17 Unique 5.18, 6.28 A)
&rst
ixpk= 219, nxpk= 17, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 938, 939, 940,
&end
#
# 60 ASN HB- 61 GLU HN 3.50 (# 220:17 Unique 2.20, 2.40 A)
&rst
ixpk= 220, nxpk= 17, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 884, 885,
&end
#
# 60 ASN HB+ 61 GLU HN 3.50 (# 221:17 Unique 2.20, 2.40 A)
&rst
ixpk= 221, nxpk= 17, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 884, 885,
&end
#
# 60 ASN HA 61 GLU HN 2.80 (# 222:17 Unique 2.69, 2.71 A)
&rst
ixpk= 222, nxpk= 17, iat= 882, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 TRP HD1 61 GLU HN 6.00 (# 223:17 Unique 4.09, 4.22 A)
&rst
ixpk= 223, nxpk= 17, iat= 680, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 ALA HN 61 GLU HN 2.80 (# 224:17 Unique 2.42, 2.44 A)
&rst
ixpk= 224, nxpk= 17, iat= 909, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 ILE HG1+ 60 ASN HN 4.50 (# 225:17 Unique 2.77, 3.51 A)
&rst
ixpk= 225, nxpk= 17, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 871, 872,
&end
#
# 58 VAL MGY 60 ASN HN 6.00 (# 226:17 Unique 5.49, 7.67 A)
&rst
ixpk= 226, nxpk= 17, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 851, 852, 853, 855, 856, 857,
&end
#
# 59 ILE HG1- 60 ASN HN 6.00 (# 227:17 Unique 2.77, 3.51 A)
&rst
ixpk= 227, nxpk= 17, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 871, 872,
&end
#
# 59 ILE HB 60 ASN HN 3.50 (# 228:17 Unique 1.90, 1.93 A)
&rst
ixpk= 228, nxpk= 17, iat= 865, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 17-2:229 60 ASN HN 4.50 (# 229:17 Single Ambig)
&rst
ixpk= 229, nxpk= 17, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 923, 924, 926, 927,
&end
#
# 63 GLU HG- 60 ASN HN 6.00 (# 230:17 Unique 2.86, 3.71 A)
&rst
ixpk= 230, nxpk= 17, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 926, 927,
&end
#
# 60 ASN HB- 60 ASN HN 4.50 (# 231:17 Unique 3.10, 3.38 A)
&rst
ixpk= 231, nxpk= 17, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 884, 885,
&end
#
# 60 ASN HB+ 60 ASN HN 4.50 (# 232:17 Unique 3.10, 3.38 A)
&rst
ixpk= 232, nxpk= 17, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 884, 885,
&end
#
# 63 GLU HA 60 ASN HN 6.00 (# 233:17 Unique 5.19, 5.40 A)
&rst
ixpk= 233, nxpk= 17, iat= 921, 880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 VAL HA 59 ILE HN 4.50 (# 235:17 Unique 2.33, 2.70 A)
&rst
ixpk= 235, nxpk= 17, iat= 698, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 VAL HA 59 ILE HN 2.80 (# 236:17 Unique 2.14, 2.16 A)
&rst
ixpk= 236, nxpk= 17, iat= 847, 861, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 TRP HB+ 59 ILE HN 6.00 (# 237:17 Unique 4.10, 4.67 A)
&rst
ixpk= 237, nxpk= 17, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 676, 677,
&end
#
# 47 TRP HB- 59 ILE HN 6.00 (# 238:17 Unique 4.10, 4.67 A)
&rst
ixpk= 238, nxpk= 17, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 676, 677,
&end
#
# 0 AMB 17-2:239 89 GLU HN 3.50 (# 239:17 Single Ambig)
&rst
ixpk= 239, nxpk= 17, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1309,1310,1294,1295,
&end
#
# 59 ILE HG1- 59 ILE HN 4.50 (# 240:17 Unique 2.01, 2.70 A)
&rst
ixpk= 240, nxpk= 17, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 871, 872,
&end
#
# 58 VAL MGY 59 ILE HN 3.50 (# 241:17 Unique 2.36, 4.41 A)
&rst
ixpk= 241, nxpk= 17, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 851, 852, 853, 855, 856, 857,
&end
#
# 59 ILE HG1+ 59 ILE HN 2.80 (# 242:17 Unique 2.01, 2.70 A)
&rst
ixpk= 242, nxpk= 17, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 871, 872,
&end
#
# 57 SER HN 58 VAL HN 6.00 (# 243:17 Unique 4.16, 4.25 A)
&rst
ixpk= 243, nxpk= 17, iat= 834, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 VAL HA 58 VAL HN 6.00 (# 244:17 Unique 4.87, 5.24 A)
&rst
ixpk= 244, nxpk= 17, iat= 698, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 VAL HA 58 VAL HN 6.00 (# 245:17 Unique 2.89, 2.91 A)
&rst
ixpk= 245, nxpk= 17, iat= 847, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 SER HA 58 VAL HN 3.50 (# 246:17 Unique 2.19, 2.29 A)
&rst
ixpk= 246, nxpk= 17, iat= 836, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 SER HB+ 58 VAL HN 4.50 (# 247:17 Unique 2.27, 3.50 A)
&rst
ixpk= 247, nxpk= 17, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 838, 839,
&end
#
# 33 VAL HB 58 VAL HN 6.00 (# 248:17 Unique 4.76, 5.47 A)
&rst
ixpk= 248, nxpk= 17, iat= 488, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 VAL HB 58 VAL HN 4.50 (# 249:17 Unique 2.45, 2.62 A)
&rst
ixpk= 249, nxpk= 17, iat= 849, 845, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 VAL MGY 58 VAL HN 6.00 (# 250:17 Unique 1.96, 3.85 A)
&rst
ixpk= 250, nxpk= 17, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 851, 852, 853, 855, 856, 857,
&end
#
# 58 VAL MGX 58 VAL HN 4.50 (# 251:17 Unique 1.96, 3.85 A)
&rst
ixpk= 251, nxpk= 17, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 851, 852, 853, 855, 856, 857,
&end
#
# 33 VAL MGY 58 VAL HN 4.50 (# 252:17 Unique 2.95, 5.11 A)
&rst
ixpk= 252, nxpk= 17, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 48 VAL MGY 57 SER HN 4.50 (# 253:17 Unique 2.27, 4.71 A)
&rst
ixpk= 253, nxpk= 17, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 49 LEU MDX 57 SER HN 3.50 (# 254:17 Unique 2.24, 5.26 A)
&rst
ixpk= 254, nxpk= 17, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 721, 722, 723, 725, 726, 727,
&end
#
# 55 ALA MB 57 SER HN 4.50 (# 255:17 Unique 3.65, 4.65 A)
&rst
ixpk= 255, nxpk= 17, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 811, 812, 813,
&end
#
# 49 LEU HB+ 57 SER HN 3.50 (# 256:17 Unique 2.54, 3.90 A)
&rst
ixpk= 256, nxpk= 17, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 716, 717,
&end
#
# 56 MET HB+ 57 SER HN 4.50 (# 257:17 Unique 2.39, 2.83 A)
&rst
ixpk= 257, nxpk= 17, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 821, 822,
&end
#
# 56 MET HB- 57 SER HN 4.50 (# 258:17 Unique 2.39, 2.83 A)
&rst
ixpk= 258, nxpk= 17, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 821, 822,
&end
#
# 56 MET HG+ 57 SER HN 6.00 (# 259:17 Unique 4.36, 4.85 A)
&rst
ixpk= 259, nxpk= 17, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 824, 825,
&end
#
# 57 SER HB+ 57 SER HN 6.00 (# 260:17 Unique 2.88, 3.43 A)
&rst
ixpk= 260, nxpk= 17, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 838, 839,
&end
#
# 57 SER HA 57 SER HN 3.50 (# 261:17 Unique 2.80, 2.83 A)
&rst
ixpk= 261, nxpk= 17, iat= 836, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 MET HA 57 SER HN 4.50 (# 262:17 Unique 3.56, 3.56 A)
&rst
ixpk= 262, nxpk= 17, iat= 819, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 VAL HA 57 SER HN 6.00 (# 264:17 Unique 4.06, 4.35 A)
&rst
ixpk= 264, nxpk= 17, iat= 698, 834, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 LEU HN 57 SER HN 4.50 (# 265:17 Unique 2.76, 3.14 A)
&rst
ixpk= 265, nxpk= 17, iat= 712, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 VAL HN 57 SER HN 6.00 (# 266:17 Unique 4.16, 4.25 A)
&rst
ixpk= 266, nxpk= 17, iat= 845, 834, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 PHE HA 55 ALA HN 2.80 (# 268:17 Unique 2.31, 2.68 A)
&rst
ixpk= 268, nxpk= 17, iat= 789, 807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 LEU HA 55 ALA HN 6.00 (# 270:17 Unique 3.13, 3.54 A)
&rst
ixpk= 270, nxpk= 17, iat= 434, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:271 55 ALA HN 6.00 (# 271:17 Single Ambig)
&rst
ixpk= 271, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 420, 780,
&end
#
# 54 PHE HN 55 ALA HN 6.00 (# 273:17 Unique 4.32, 4.35 A)
&rst
ixpk= 273, nxpk= 17, iat= 787, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:274 55 ALA HN 6.00 (# 274:17 Single Ambig)
&rst
ixpk= 274, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 467, 406,
&end
#
# 54 PHE HB+ 55 ALA HN 6.00 (# 275:17 Unique 1.91, 2.50 A)
&rst
ixpk= 275, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 791, 792,
&end
#
# 54 PHE HB- 55 ALA HN 4.50 (# 276:17 Unique 1.91, 2.50 A)
&rst
ixpk= 276, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 791, 792,
&end
#
# 29 ASP HB- 55 ALA HN 6.00 (# 277:17 Unique 3.61, 4.53 A)
&rst
ixpk= 277, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 424, 425,
&end
#
# 55 ALA MB 55 ALA HN 3.50 (# 278:17 Unique 2.20, 2.99 A)
&rst
ixpk= 278, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 811, 812, 813,
&end
#
# 32 LEU MDY 55 ALA HN 4.50 (# 279:17 Unique 2.45, 4.70 A)
&rst
ixpk= 279, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 30 LEU MDY 55 ALA HN 6.00 (# 280:17 Unique 4.08, 6.64 A)
&rst
ixpk= 280, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 49 LEU MDY 56 MET HN 6.00 (# 281:17 Unique 3.98, 6.51 A)
&rst
ixpk= 281, nxpk= 17, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 721, 722, 723, 725, 726, 727,
&end
#
# 0 AMB 17-2:282 56 MET HN 6.00 (# 282:17 Single Ambig)
&rst
ixpk= 282, nxpk= 17, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 474, 475, 476, 478, 479, 480, 737, 738, 739, 741,
742, 743,
&end
#
# 0 AMB 17-2:283 56 MET HN 4.50 (# 283:17 Single Ambig)
&rst
ixpk= 283, nxpk= 17, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 811, 812, 813, 716, 717,
&end
#
# 49 LEU HB+ 56 MET HN 6.00 (# 284:17 Unique 3.25, 4.17 A)
&rst
ixpk= 284, nxpk= 17, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 716, 717,
&end
#
# 56 MET HB- 56 MET HN 4.50 (# 285:17 Unique 2.06, 2.66 A)
&rst
ixpk= 285, nxpk= 17, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 821, 822,
&end
#
# 56 MET HB+ 56 MET HN 4.50 (# 286:17 Unique 2.06, 2.66 A)
&rst
ixpk= 286, nxpk= 17, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 821, 822,
&end
#
# 56 MET HG+ 56 MET HN 4.50 (# 287:17 Unique 3.35, 3.99 A)
&rst
ixpk= 287, nxpk= 17, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 824, 825,
&end
#
# 56 MET HG- 56 MET HN 6.00 (# 288:17 Unique 3.35, 3.99 A)
&rst
ixpk= 288, nxpk= 17, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 824, 825,
&end
#
# 51 HIS HB+ 56 MET HN 6.00 (# 289:17 Unique 2.37, 3.65 A)
&rst
ixpk= 289, nxpk= 17, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 751, 752,
&end
#
# 56 MET HA 56 MET HN 4.50 (# 290:17 Unique 2.76, 2.84 A)
&rst
ixpk= 290, nxpk= 17, iat= 819, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:291 56 MET HN 6.00 (# 291:17 Single Ambig)
&rst
ixpk= 291, nxpk= 17, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 836, 714,
&end
#
# 55 ALA HA 56 MET HN 3.50 (# 292:17 Unique 2.14, 2.17 A)
&rst
ixpk= 292, nxpk= 17, iat= 809, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 SER HN 56 MET HN 3.50 (# 293:17 Unique 2.39, 2.68 A)
&rst
ixpk= 293, nxpk= 17, iat= 834, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ILE MG2 12 ILE HN 6.00 (# 294:17 Unique 4.80, 5.59 A)
&rst
ixpk= 294, nxpk= 17, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 118, 119, 120,
&end
#
# 12 ILE MD1 12 ILE HN 6.00 (# 295:17 Unique 2.77, 4.08 A)
&rst
ixpk= 295, nxpk= 17, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 182, 183, 184,
&end
#
# 11 THR MG2 12 ILE HN 4.50 (# 296:17 Unique 3.11, 3.79 A)
&rst
ixpk= 296, nxpk= 17, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 161, 162, 163,
&end
#
# 12 ILE HG1- 12 ILE HN 4.50 (# 297:17 Unique 3.00, 3.76 A)
&rst
ixpk= 297, nxpk= 17, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 179, 180,
&end
#
# 12 ILE HB 12 ILE HN 3.50 (# 298:17 Unique 2.76, 2.80 A)
&rst
ixpk= 298, nxpk= 17, iat= 173, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR HB 12 ILE HN 3.50 (# 299:17 Unique 3.53, 3.65 A)
&rst
ixpk= 299, nxpk= 17, iat= 159, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR HA 12 ILE HN 2.80 (# 300:17 Unique 2.15, 2.16 A)
&rst
ixpk= 300, nxpk= 17, iat= 157, 169, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 ALA HA 12 ILE HN 6.00 (# 301:17 Unique 4.52, 4.56 A)
&rst
ixpk= 301, nxpk= 17, iat= 240, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 THR HN 12 ILE HN 6.00 (# 302:17 Unique 4.41, 4.44 A)
&rst
ixpk= 302, nxpk= 17, iat= 155, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 ILE HA 12 ILE HN 4.50 (# 303:17 Unique 2.94, 2.94 A)
&rst
ixpk= 303, nxpk= 17, iat= 171, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HA 53 GLY HN 4.50 (# 304:17 Unique 3.50, 3.54 A)
&rst
ixpk= 304, nxpk= 17, iat= 766, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 GLY HA- 53 GLY HN 2.80 (# 305:17 Unique 2.68, 2.80 A)
&rst
ixpk= 305, nxpk= 17, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 782, 783,
&end
#
# 53 GLY HA+ 53 GLY HN 4.50 (# 306:17 Unique 2.68, 2.80 A)
&rst
ixpk= 306, nxpk= 17, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 782, 783,
&end
#
# 52 VAL HB 53 GLY HN 4.50 (# 307:17 Unique 2.43, 2.92 A)
&rst
ixpk= 307, nxpk= 17, iat= 768, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL MGY 53 GLY HN 4.50 (# 308:17 Unique 1.94, 4.29 A)
&rst
ixpk= 308, nxpk= 17, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 770, 771, 772, 774, 775, 776,
&end
#
# 52 VAL MGX 53 GLY HN 6.00 (# 309:17 Unique 1.94, 4.29 A)
&rst
ixpk= 309, nxpk= 17, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 770, 771, 772, 774, 775, 776,
&end
#
# 54 PHE HN 53 GLY HN 4.50 (# 310:17 Unique 1.83, 1.89 A)
&rst
ixpk= 310, nxpk= 17, iat= 787, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HN 53 GLY HN 6.00 (# 311:17 Unique 2.81, 2.89 A)
&rst
ixpk= 311, nxpk= 17, iat= 764, 780, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 HIS HA 52 VAL HN 4.50 (# 312:17 Unique 2.53, 2.54 A)
&rst
ixpk= 312, nxpk= 17, iat= 749, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HA 52 VAL HN 4.50 (# 313:17 Unique 2.70, 2.73 A)
&rst
ixpk= 313, nxpk= 17, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HB 52 VAL HN 6.00 (# 314:17 Unique 2.57, 2.85 A)
&rst
ixpk= 314, nxpk= 17, iat= 768, 764, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 HIS HB- 52 VAL HN 6.00 (# 315:17 Unique 2.73, 3.35 A)
&rst
ixpk= 315, nxpk= 17, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 751, 752,
&end
#
# 52 VAL MGY 52 VAL HN 6.00 (# 316:17 Unique 1.94, 3.56 A)
&rst
ixpk= 316, nxpk= 17, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 770, 771, 772, 774, 775, 776,
&end
#
# 52 VAL MGX 52 VAL HN 6.00 (# 317:17 Unique 1.94, 3.56 A)
&rst
ixpk= 317, nxpk= 17, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 770, 771, 772, 774, 775, 776,
&end
#
# 50 VAL HA 51 HIS HN 4.50 (# 318:17 Unique 2.14, 2.18 A)
&rst
ixpk= 318, nxpk= 17, iat= 733, 747, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 HIS HA 51 HIS HN 6.00 (# 319:17 Unique 2.93, 2.95 A)
&rst
ixpk= 319, nxpk= 17, iat= 749, 747, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 HIS HB+ 51 HIS HN 6.00 (# 320:17 Unique 2.41, 2.85 A)
&rst
ixpk= 320, nxpk= 17, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 751, 752,
&end
#
# 51 HIS HB- 51 HIS HN 6.00 (# 321:17 Unique 2.41, 2.85 A)
&rst
ixpk= 321, nxpk= 17, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 751, 752,
&end
#
# 54 PHE HN 51 HIS HN 6.00 (# 322:17 Unique 3.40, 3.95 A)
&rst
ixpk= 322, nxpk= 17, iat= 787, 747, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:323 51 HIS HN 6.00 (# 323:17 Single Ambig)
&rst
ixpk= 323, nxpk= 17, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416, 45, 46, 47,
&end
#
# 50 VAL MGX 51 HIS HN 4.50 (# 324:17 Unique 2.20, 4.32 A)
&rst
ixpk= 324, nxpk= 17, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 737, 738, 739, 741, 742, 743,
&end
#
# 49 LEU MDY 50 VAL HN 4.50 (# 325:17 Unique 2.64, 5.19 A)
&rst
ixpk= 325, nxpk= 17, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 721, 722, 723, 725, 726, 727,
&end
#
# 50 VAL MGY 50 VAL HN 3.50 (# 326:17 Unique 1.94, 3.65 A)
&rst
ixpk= 326, nxpk= 17, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 737, 738, 739, 741, 742, 743,
&end
#
# 0 AMB 17-2:327 50 VAL HN 6.00 (# 327:17 Single Ambig)
&rst
ixpk= 327, nxpk= 17, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 49 LEU HB- 50 VAL HN 6.00 (# 328:17 Unique 2.49, 3.22 A)
&rst
ixpk= 328, nxpk= 17, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 716, 717,
&end
#
# 49 LEU HB+ 50 VAL HN 6.00 (# 329:17 Unique 2.49, 3.22 A)
&rst
ixpk= 329, nxpk= 17, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 716, 717,
&end
#
# 5 VAL HB 50 VAL HN 6.00 (# 330:17 Unique 4.79, 5.89 A)
&rst
ixpk= 330, nxpk= 17, iat= 62, 731, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 VAL HB 50 VAL HN 4.50 (# 331:17 Unique 2.42, 2.93 A)
&rst
ixpk= 331, nxpk= 17, iat= 735, 731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LEU HA 50 VAL HN 3.50 (# 332:17 Unique 2.21, 2.31 A)
&rst
ixpk= 332, nxpk= 17, iat= 714, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 17-2:333 50 VAL HN 6.00 (# 333:17 Single Ambig)
&rst
ixpk= 333, nxpk= 17, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 53, 54, 53, 54,
&end
#
# 6 PRO HA 50 VAL HN 6.00 (# 334:17 Unique 2.86, 3.29 A)
&rst
ixpk= 334, nxpk= 17, iat= 84, 731, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 VAL HN 50 VAL HN 4.50 (# 335:17 Unique 2.67, 3.61 A)
&rst
ixpk= 335, nxpk= 17, iat= 58, 731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:336 50 VAL HN 6.00 (# 336:17 Single Ambig)
&rst
ixpk= 336, nxpk= 17, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 88, 817,
&end
#
# 49 LEU HB- 49 LEU HN 6.00 (# 337:17 Unique 2.23, 3.03 A)
&rst
ixpk= 337, nxpk= 17, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 716, 717,
&end
#
# 49 LEU HG 49 LEU HN 4.50 (# 338:17 Unique 2.12, 2.90 A)
&rst
ixpk= 338, nxpk= 17, iat= 719, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ILE HG1- 46 GLN HN 4.50 (# 339:17 Unique 5.01, 5.91 A)
&rst
ixpk= 339, nxpk= 17, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 122, 123,
&end
#
# 57 SER HN 49 LEU HN 6.00 (# 342:17 Unique 2.76, 3.14 A)
&rst
ixpk= 342, nxpk= 17, iat= 834, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL MGX 48 VAL HN 6.00 (# 344:17 Unique 3.17, 4.73 A)
&rst
ixpk= 344, nxpk= 17, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 48 VAL MGX 48 VAL HN 3.50 (# 345:17 Unique 2.12, 4.00 A)
&rst
ixpk= 345, nxpk= 17, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 48 VAL MGY 48 VAL HN 4.50 (# 346:17 Unique 2.12, 4.00 A)
&rst
ixpk= 346, nxpk= 17, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 9 ILE HG1- 48 VAL HN 6.00 (# 348:17 Unique 3.16, 3.77 A)
&rst
ixpk= 348, nxpk= 17, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 122, 123,
&end
#
# 48 VAL HB 48 VAL HN 6.00 (# 349:17 Unique 3.23, 3.39 A)
&rst
ixpk= 349, nxpk= 17, iat= 700, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PRO HB+ 48 VAL HN 6.00 (# 350:17 Unique 4.13, 4.83 A)
&rst
ixpk= 350, nxpk= 17, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 81, 82,
&end
#
# 47 TRP HB- 48 VAL HN 6.00 (# 351:17 Unique 2.17, 3.09 A)
&rst
ixpk= 351, nxpk= 17, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 676, 677,
&end
#
# 47 TRP HB+ 48 VAL HN 6.00 (# 352:17 Unique 2.17, 3.09 A)
&rst
ixpk= 352, nxpk= 17, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 676, 677,
&end
#
# 8 GLN HA 48 VAL HN 6.00 (# 353:17 Unique 3.69, 3.84 A)
&rst
ixpk= 353, nxpk= 17, iat= 97, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 LEU HA 48 VAL HN 6.00 (# 354:17 Unique 4.61, 4.73 A)
&rst
ixpk= 354, nxpk= 17, iat= 714, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HA 48 VAL HN 2.80 (# 356:17 Unique 2.27, 2.41 A)
&rst
ixpk= 356, nxpk= 17, iat= 674, 696, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 VAL HA 48 VAL HN 6.00 (# 357:17 Unique 2.87, 2.91 A)
&rst
ixpk= 357, nxpk= 17, iat= 698, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HE3 48 VAL HN 6.00 (# 358:17 Unique 3.77, 4.08 A)
&rst
ixpk= 358, nxpk= 17, iat= 691, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:359 48 VAL HN 6.00 (# 359:17 Single Ambig)
&rst
ixpk= 359, nxpk= 17, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 112, 672,
&end
#
# 7 GLY HN 48 VAL HN 3.50 (# 360:17 Unique 2.50, 2.90 A)
&rst
ixpk= 360, nxpk= 17, iat= 88, 696, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 VAL MGX 47 TRP HN 6.00 (# 361:17 Unique 3.86, 6.60 A)
&rst
ixpk= 361, nxpk= 17, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 851, 852, 853, 855, 856, 857,
&end
#
# 58 VAL MGY 47 TRP HN 6.00 (# 362:17 Unique 3.86, 6.60 A)
&rst
ixpk= 362, nxpk= 17, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 851, 852, 853, 855, 856, 857,
&end
#
# 59 ILE HG1- 47 TRP HN 6.00 (# 363:17 Unique 3.30, 4.03 A)
&rst
ixpk= 363, nxpk= 17, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 871, 872,
&end
#
# 46 GLN HB- 47 TRP HN 4.50 (# 364:17 Unique 2.70, 3.54 A)
&rst
ixpk= 364, nxpk= 17, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 659, 660,
&end
#
# 0 AMB 17-2:365 47 TRP HN 3.50 (# 365:17 Single Ambig)
&rst
ixpk= 365, nxpk= 17, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 662, 663, 662, 663,
&end
#
# 47 TRP HB- 47 TRP HN 4.50 (# 366:17 Unique 2.36, 3.00 A)
&rst
ixpk= 366, nxpk= 17, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 676, 677,
&end
#
# 47 TRP HB+ 47 TRP HN 3.50 (# 367:17 Unique 2.36, 3.00 A)
&rst
ixpk= 367, nxpk= 17, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 676, 677,
&end
#
# 8 GLN HA 47 TRP HN 6.00 (# 368:17 Unique 4.82, 4.92 A)
&rst
ixpk= 368, nxpk= 17, iat= 97, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 GLN HA 47 TRP HN 2.80 (# 369:17 Unique 2.23, 2.26 A)
&rst
ixpk= 369, nxpk= 17, iat= 657, 672, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 TRP HA 47 TRP HN 4.50 (# 370:17 Unique 2.92, 2.93 A)
&rst
ixpk= 370, nxpk= 17, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 TRP HD1 47 TRP HN 2.80 (# 371:17 Unique 2.58, 2.67 A)
&rst
ixpk= 371, nxpk= 17, iat= 680, 672, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 GLN HN 47 TRP HN 6.00 (# 372:17 Unique 4.60, 4.61 A)
&rst
ixpk= 372, nxpk= 17, iat= 655, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 VAL HN 47 TRP HN 4.50 (# 373:17 Unique 4.51, 4.54 A)
&rst
ixpk= 373, nxpk= 17, iat= 696, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 GLN HE2+ 46 GLN HN 6.00 (# 374:17 Unique 2.44, 4.23 A)
&rst
ixpk= 374, nxpk= 17, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 667, 668,
&end
#
# 40 GLY HA- 37 ASP HN 6.00 (# 376:17 Unique 2.79, 4.45 A)
&rst
ixpk= 376, nxpk= 17, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 572, 573,
&end
#
# 43 ARG HN 37 ASP HN 6.00 (# 377:17 Unique 3.88, 4.74 A)
&rst
ixpk= 377, nxpk= 17, iat= 608, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:380 45 GLY HN 3.50 (# 380:17 Single Ambig)
&rst
ixpk= 380, nxpk= 17, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
&end
#
# 0 AMB 17-2:381 45 GLY HN 6.00 (# 381:17 Single Ambig)
&rst
ixpk= 381, nxpk= 17, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 103, 615, 616,
&end
#
# 0 AMB 17-2:382 45 GLY HN 4.50 (# 382:17 Single Ambig)
&rst
ixpk= 382, nxpk= 17, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 116, 612, 613,
&end
#
# 44 VAL HB 45 GLY HN 6.00 (# 383:17 Unique 2.69, 3.68 A)
&rst
ixpk= 383, nxpk= 17, iat= 636, 648, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 VAL HA 45 GLY HN 3.50 (# 384:17 Unique 3.49, 3.51 A)
&rst
ixpk= 384, nxpk= 17, iat= 634, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 GLY HA- 45 GLY HN 3.50 (# 385:17 Unique 2.33, 2.63 A)
&rst
ixpk= 385, nxpk= 17, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 650, 651,
&end
#
# 45 GLY HA+ 45 GLY HN 3.50 (# 386:17 Unique 2.33, 2.63 A)
&rst
ixpk= 386, nxpk= 17, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 650, 651,
&end
#
# 44 VAL HN 45 GLY HN 6.00 (# 387:17 Unique 2.85, 2.88 A)
&rst
ixpk= 387, nxpk= 17, iat= 632, 648, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 GLN HN 45 GLY HN 4.50 (# 388:17 Unique 2.19, 2.33 A)
&rst
ixpk= 388, nxpk= 17, iat= 655, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:389 45 GLY HN 6.00 (# 389:17 Single Ambig)
&rst
ixpk= 389, nxpk= 17, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 112, 672,
&end
#
# 12 ILE HG1+ 44 VAL HN 6.00 (# 390:17 Unique 3.60, 4.33 A)
&rst
ixpk= 390, nxpk= 17, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 179, 180,
&end
#
# 0 AMB 17-2:391 44 VAL HN 3.50 (# 391:17 Single Ambig)
&rst
ixpk= 391, nxpk= 17, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
&end
#
# 0 AMB 17-2:392 44 VAL HN 4.50 (# 392:17 Single Ambig)
&rst
ixpk= 392, nxpk= 17, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 636, 601, 602,
&end
#
# 42 PRO HB+ 44 VAL HN 6.00 (# 393:17 Unique 2.26, 3.12 A)
&rst
ixpk= 393, nxpk= 17, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 601, 602,
&end
#
# 44 VAL HA 44 VAL HN 6.00 (# 394:17 Unique 2.69, 2.72 A)
&rst
ixpk= 394, nxpk= 17, iat= 634, 632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:395 44 VAL HN 6.00 (# 395:17 Single Ambig)
&rst
ixpk= 395, nxpk= 17, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 612, 613, 615, 616,
&end
#
# 43 ARG HA 44 VAL HN 6.00 (# 396:17 Unique 3.27, 3.29 A)
&rst
ixpk= 396, nxpk= 17, iat= 610, 632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 VAL HN 43 ARG HN 6.00 (# 397:17 Unique 2.32, 2.44 A)
&rst
ixpk= 397, nxpk= 17, iat= 632, 608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 CYS HA 43 ARG HN 6.00 (# 398:17 Unique 3.81, 4.31 A)
&rst
ixpk= 398, nxpk= 17, iat= 520, 608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 PRO HA 43 ARG HN 4.50 (# 399:17 Unique 2.15, 2.20 A)
&rst
ixpk= 399, nxpk= 17, iat= 604, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ARG HA 43 ARG HN 6.00 (# 400:17 Unique 2.87, 2.89 A)
&rst
ixpk= 400, nxpk= 17, iat= 610, 608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:401 43 ARG HN 6.00 (# 401:17 Single Ambig)
&rst
ixpk= 401, nxpk= 17, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 618, 619, 634,
&end
#
# 43 ARG HD- 43 ARG HN 6.00 (# 402:17 Unique 3.98, 4.68 A)
&rst
ixpk= 402, nxpk= 17, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 618, 619,
&end
#
# 42 PRO HG+ 43 ARG HN 6.00 (# 403:17 Unique 4.69, 5.17 A)
&rst
ixpk= 403, nxpk= 17, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 598, 599,
&end
#
# 42 PRO HG- 43 ARG HN 6.00 (# 404:17 Unique 4.69, 5.17 A)
&rst
ixpk= 404, nxpk= 17, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 598, 599,
&end
#
# 42 PRO HB- 43 ARG HN 6.00 (# 405:17 Unique 3.01, 3.54 A)
&rst
ixpk= 405, nxpk= 17, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 601, 602,
&end
#
# 42 PRO HB+ 43 ARG HN 6.00 (# 406:17 Unique 3.01, 3.54 A)
&rst
ixpk= 406, nxpk= 17, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 601, 602,
&end
#
# 43 ARG HG+ 43 ARG HN 6.00 (# 407:17 Unique 1.96, 2.75 A)
&rst
ixpk= 407, nxpk= 17, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 615, 616,
&end
#
# 0 AMB 17-2:408 43 ARG HN 4.50 (# 408:17 Single Ambig)
&rst
ixpk= 408, nxpk= 17, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 615, 616, 612, 613,
&end
#
# 12 ILE MD1 43 ARG HN 4.50 (# 409:17 Unique 1.95, 3.55 A)
&rst
ixpk= 409, nxpk= 17, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 182, 183, 184,
&end
#
# 12 ILE HG1+ 43 ARG HN 6.00 (# 410:17 Unique 3.36, 4.33 A)
&rst
ixpk= 410, nxpk= 17, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 179, 180,
&end
#
# 40 GLY HA- 41 GLN HN 4.50 (# 411:17 Unique 3.07, 3.27 A)
&rst
ixpk= 411, nxpk= 17, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 572, 573,
&end
#
# 40 GLY HA+ 41 GLN HN 4.50 (# 412:17 Unique 3.07, 3.27 A)
&rst
ixpk= 412, nxpk= 17, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 572, 573,
&end
#
# 41 GLN HA 41 GLN HN 4.50 (# 413:17 Unique 2.83, 2.86 A)
&rst
ixpk= 413, nxpk= 17, iat= 579, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 CYS HA 41 GLN HN 6.00 (# 414:17 Unique 5.01, 5.45 A)
&rst
ixpk= 414, nxpk= 17, iat= 520, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 ASN HB+ 41 GLN HN 6.00 (# 415:17 Unique 3.15, 3.47 A)
&rst
ixpk= 415, nxpk= 17, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 560, 561,
&end
#
# 39 ASN HB- 41 GLN HN 6.00 (# 416:17 Unique 3.15, 3.47 A)
&rst
ixpk= 416, nxpk= 17, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 560, 561,
&end
#
# 37 ASP HB- 41 GLN HN 6.00 (# 417:17 Unique 1.94, 2.80 A)
&rst
ixpk= 417, nxpk= 17, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 37 ASP HB+ 41 GLN HN 6.00 (# 418:17 Unique 1.94, 2.80 A)
&rst
ixpk= 418, nxpk= 17, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 41 GLN HG+ 41 GLN HN 4.50 (# 419:17 Unique 2.40, 3.42 A)
&rst
ixpk= 419, nxpk= 17, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 584, 585,
&end
#
# 41 GLN HG- 41 GLN HN 4.50 (# 420:17 Unique 2.40, 3.42 A)
&rst
ixpk= 420, nxpk= 17, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 584, 585,
&end
#
# 0 AMB 17-2:421 41 GLN HN 2.80 (# 421:17 Single Ambig)
&rst
ixpk= 421, nxpk= 17, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 581, 582, 581, 582,
&end
#
# 37 ASP HN 41 GLN HN 3.50 (# 422:17 Unique 3.08, 3.66 A)
&rst
ixpk= 422, nxpk= 17, iat= 529, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 GLU HN 41 GLN HN 6.00 (# 423:17 Unique 4.46, 5.05 A)
&rst
ixpk= 423, nxpk= 17, iat= 541, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:424 40 GLY HN 6.00 (# 424:17 Single Ambig)
&rst
ixpk= 424, nxpk= 17, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 581, 582, 581, 582,
&end
#
# 36 CYS HB- 40 GLY HN 4.50 (# 425:17 Unique 3.94, 4.98 A)
&rst
ixpk= 425, nxpk= 17, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 522, 523,
&end
#
# 39 ASN HB- 40 GLY HN 6.00 (# 426:17 Unique 3.27, 3.72 A)
&rst
ixpk= 426, nxpk= 17, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 560, 561,
&end
#
# 39 ASN HB+ 40 GLY HN 4.50 (# 427:17 Unique 3.27, 3.72 A)
&rst
ixpk= 427, nxpk= 17, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 560, 561,
&end
#
# 37 ASP HB+ 40 GLY HN 6.00 (# 428:17 Unique 2.38, 3.35 A)
&rst
ixpk= 428, nxpk= 17, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 40 GLY HA- 40 GLY HN 3.50 (# 429:17 Unique 2.35, 2.65 A)
&rst
ixpk= 429, nxpk= 17, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 572, 573,
&end
#
# 40 GLY HA+ 40 GLY HN 3.50 (# 430:17 Unique 2.35, 2.65 A)
&rst
ixpk= 430, nxpk= 17, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 572, 573,
&end
#
# 39 ASN HA 40 GLY HN 6.00 (# 431:17 Unique 3.29, 3.32 A)
&rst
ixpk= 431, nxpk= 17, iat= 558, 570, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 ASN HD2- 40 GLY HN 6.00 (# 432:17 Unique 4.26, 5.67 A)
&rst
ixpk= 432, nxpk= 17, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 565, 566,
&end
#
# 38 GLU HB+ 39 ASN HN 4.50 (# 433:17 Unique 2.69, 3.62 A)
&rst
ixpk= 433, nxpk= 17, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 545, 546,
&end
#
# 37 ASP HB- 39 ASN HN 6.00 (# 435:17 Unique 2.48, 3.27 A)
&rst
ixpk= 435, nxpk= 17, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 39 ASN HB- 39 ASN HN 3.50 (# 436:17 Unique 2.19, 2.83 A)
&rst
ixpk= 436, nxpk= 17, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 560, 561,
&end
#
# 39 ASN HB+ 39 ASN HN 4.50 (# 437:17 Unique 2.19, 2.83 A)
&rst
ixpk= 437, nxpk= 17, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 560, 561,
&end
#
# 37 ASP HB+ 39 ASN HN 6.00 (# 438:17 Unique 2.48, 3.27 A)
&rst
ixpk= 438, nxpk= 17, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 40 GLY HA- 39 ASN HN 6.00 (# 439:17 Unique 4.46, 4.74 A)
&rst
ixpk= 439, nxpk= 17, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 572, 573,
&end
#
# 38 GLU HA 39 ASN HN 4.50 (# 440:17 Unique 3.29, 3.45 A)
&rst
ixpk= 440, nxpk= 17, iat= 543, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ASP HA 39 ASN HN 6.00 (# 441:17 Unique 4.00, 4.11 A)
&rst
ixpk= 441, nxpk= 17, iat= 531, 556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 ASN HA 39 ASN HN 4.50 (# 442:17 Unique 2.91, 2.93 A)
&rst
ixpk= 442, nxpk= 17, iat= 558, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ASN HD2+ 39 ASN HN 6.00 (# 443:17 Unique 2.26, 3.93 A)
&rst
ixpk= 443, nxpk= 17, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 565, 566,
&end
#
# 37 ASP HN 39 ASN HN 6.00 (# 444:17 Unique 4.33, 4.79 A)
&rst
ixpk= 444, nxpk= 17, iat= 529, 556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 ASN HD2- 39 ASN HN 6.00 (# 445:17 Unique 2.26, 3.93 A)
&rst
ixpk= 445, nxpk= 17, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 565, 566,
&end
#
# 38 GLU HN 39 ASN HN 4.50 (# 446:17 Unique 2.50, 2.67 A)
&rst
ixpk= 446, nxpk= 17, iat= 541, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:447 38 GLU HN 4.50 (# 447:17 Single Ambig)
&rst
ixpk= 447, nxpk= 17, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 545, 546, 545, 546,
&end
#
# 0 AMB 17-2:448 38 GLU HN 4.50 (# 448:17 Single Ambig)
&rst
ixpk= 448, nxpk= 17, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 548, 549, 548, 549,
&end
#
# 37 ASP HB- 38 GLU HN 4.50 (# 449:17 Unique 1.94, 3.44 A)
&rst
ixpk= 449, nxpk= 17, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 533, 534,
&end
#
# 37 ASP HB+ 38 GLU HN 4.50 (# 450:17 Unique 1.94, 3.44 A)
&rst
ixpk= 450, nxpk= 17, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 533, 534,
&end
#
# 38 GLU HA 38 GLU HN 4.50 (# 451:17 Unique 2.78, 2.79 A)
&rst
ixpk= 451, nxpk= 17, iat= 543, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ASP HA 38 GLU HN 4.50 (# 452:17 Unique 2.36, 2.43 A)
&rst
ixpk= 452, nxpk= 17, iat= 531, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ASN HN 38 GLU HN 3.50 (# 454:17 Unique 2.50, 2.67 A)
&rst
ixpk= 454, nxpk= 17, iat= 556, 541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ASP HN 38 GLU HN 6.00 (# 455:17 Unique 4.45, 4.61 A)
&rst
ixpk= 455, nxpk= 17, iat= 529, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 ASN HB+ 63 GLU HN 6.00 (# 456:17 Unique 3.23, 4.17 A)
&rst
ixpk= 456, nxpk= 17, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 884, 885,
&end
#
# 43 ARG HG- 37 ASP HN 6.00 (# 457:17 Unique 3.09, 3.78 A)
&rst
ixpk= 457, nxpk= 17, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 615, 616,
&end
#
# 43 ARG HG+ 37 ASP HN 6.00 (# 458:17 Unique 3.09, 3.78 A)
&rst
ixpk= 458, nxpk= 17, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 615, 616,
&end
#
# 0 AMB 17-2:459 37 ASP HN 6.00 (# 459:17 Single Ambig)
&rst
ixpk= 459, nxpk= 17, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 581, 582, 581, 582,
&end
#
# 36 CYS HB- 37 ASP HN 4.50 (# 460:17 Unique 2.41, 3.59 A)
&rst
ixpk= 460, nxpk= 17, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 522, 523,
&end
#
# 43 ARG HD+ 37 ASP HN 6.00 (# 462:17 Unique 3.86, 5.26 A)
&rst
ixpk= 462, nxpk= 17, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 618, 619,
&end
#
# 37 ASP HB+ 37 ASP HN 6.00 (# 463:17 Unique 2.23, 2.71 A)
&rst
ixpk= 463, nxpk= 17, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 0 AMB 17-2:464 37 ASP HN 6.00 (# 464:17 Single Ambig)
&rst
ixpk= 464, nxpk= 17, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 610, 543, 509,
&end
#
# 37 ASP HA 37 ASP HN 4.50 (# 465:17 Unique 2.75, 2.82 A)
&rst
ixpk= 465, nxpk= 17, iat= 531, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 PRO HA 37 ASP HN 6.00 (# 466:17 Unique 3.74, 4.33 A)
&rst
ixpk= 466, nxpk= 17, iat= 604, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 CYS HA 37 ASP HN 4.50 (# 467:17 Unique 2.14, 2.22 A)
&rst
ixpk= 467, nxpk= 17, iat= 520, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 GLN HN 37 ASP HN 3.50 (# 468:17 Unique 3.08, 3.66 A)
&rst
ixpk= 468, nxpk= 17, iat= 577, 529, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 17-2:469 36 CYS HN 6.00 (# 469:17 Single Ambig)
&rst
ixpk= 469, nxpk= 17, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 490, 491, 492, 494, 495, 496, 441, 442, 443, 445,
446, 447,
&end
#
# 43 ARG HG- 36 CYS HN 6.00 (# 470:17 Unique 3.76, 4.53 A)
&rst
ixpk= 470, nxpk= 17, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 615, 616,
&end
#
# 36 CYS HB- 36 CYS HN 6.00 (# 471:17 Unique 2.26, 3.36 A)
&rst
ixpk= 471, nxpk= 17, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 522, 523,
&end
#
# 36 CYS HB+ 36 CYS HN 4.50 (# 472:17 Unique 2.26, 3.36 A)
&rst
ixpk= 472, nxpk= 17, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 522, 523,
&end
#
# 34 GLY HA- 36 CYS HN 6.00 (# 473:17 Unique 3.12, 3.80 A)
&rst
ixpk= 473, nxpk= 17, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 502, 503,
&end
#
# 35 SER HB- 36 CYS HN 6.00 (# 474:17 Unique 3.22, 4.36 A)
&rst
ixpk= 474, nxpk= 17, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 511, 512,
&end
#
# 35 SER HA 36 CYS HN 4.50 (# 475:17 Unique 2.70, 3.10 A)
&rst
ixpk= 475, nxpk= 17, iat= 509, 518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLY HA+ 36 CYS HN 6.00 (# 476:17 Unique 3.12, 3.80 A)
&rst
ixpk= 476, nxpk= 17, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 502, 503,
&end
#
# 36 CYS HA 36 CYS HN 4.50 (# 478:17 Unique 2.91, 2.93 A)
&rst
ixpk= 478, nxpk= 17, iat= 520, 518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 SER HN 36 CYS HN 4.50 (# 479:17 Unique 2.57, 2.66 A)
&rst
ixpk= 479, nxpk= 17, iat= 507, 518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ARG HE 36 CYS HN 6.00 (# 480:17 Unique 2.03, 4.22 A)
&rst
ixpk= 480, nxpk= 17, iat= 621, 518, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 VAL MGX 35 SER HN 6.00 (# 481:17 Unique 1.93, 4.62 A)
&rst
ixpk= 481, nxpk= 17, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 30 LEU HB+ 35 SER HN 6.00 (# 482:17 Unique 2.58, 3.03 A)
&rst
ixpk= 482, nxpk= 17, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 436, 437,
&end
#
# 34 GLY HA- 35 SER HN 3.50 (# 483:17 Unique 2.15, 3.17 A)
&rst
ixpk= 483, nxpk= 17, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 502, 503,
&end
#
# 35 SER HB+ 35 SER HN 4.50 (# 484:17 Unique 2.09, 3.36 A)
&rst
ixpk= 484, nxpk= 17, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 511, 512,
&end
#
# 35 SER HA 35 SER HN 4.50 (# 485:17 Unique 2.27, 2.37 A)
&rst
ixpk= 485, nxpk= 17, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLY HA+ 35 SER HN 4.50 (# 486:17 Unique 2.15, 3.17 A)
&rst
ixpk= 486, nxpk= 17, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 502, 503,
&end
#
# 33 VAL HN 35 SER HN 6.00 (# 487:17 Unique 3.71, 4.19 A)
&rst
ixpk= 487, nxpk= 17, iat= 484, 507, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 CYS HN 35 SER HN 4.50 (# 488:17 Unique 2.57, 2.66 A)
&rst
ixpk= 488, nxpk= 17, iat= 518, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLY HN 35 SER HN 4.50 (# 489:17 Unique 2.00, 2.45 A)
&rst
ixpk= 489, nxpk= 17, iat= 500, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU MDY 34 GLY HN 6.00 (# 491:17 Unique 4.35, 5.98 A)
&rst
ixpk= 491, nxpk= 17, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 33 VAL MGX 34 GLY HN 3.50 (# 492:17 Unique 1.91, 3.90 A)
&rst
ixpk= 492, nxpk= 17, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 55 ALA MB 34 GLY HN 6.00 (# 493:17 Unique 4.71, 5.83 A)
&rst
ixpk= 493, nxpk= 17, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 811, 812, 813,
&end
#
# 30 LEU HB- 34 GLY HN 4.50 (# 494:17 Unique 2.40, 3.38 A)
&rst
ixpk= 494, nxpk= 17, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 436, 437,
&end
#
# 33 VAL HB 34 GLY HN 6.00 (# 495:17 Unique 2.00, 3.26 A)
&rst
ixpk= 495, nxpk= 17, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY HA- 34 GLY HN 3.50 (# 496:17 Unique 2.38, 2.70 A)
&rst
ixpk= 496, nxpk= 17, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 502, 503,
&end
#
# 35 SER HA 34 GLY HN 6.00 (# 497:17 Unique 4.08, 4.39 A)
&rst
ixpk= 497, nxpk= 17, iat= 509, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY HA+ 34 GLY HN 3.50 (# 498:17 Unique 2.38, 2.70 A)
&rst
ixpk= 498, nxpk= 17, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 502, 503,
&end
#
# 33 VAL HN 34 GLY HN 2.80 (# 499:17 Unique 1.89, 2.06 A)
&rst
ixpk= 499, nxpk= 17, iat= 484, 500, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 SER HN 34 GLY HN 6.00 (# 500:17 Unique 2.00, 2.45 A)
&rst
ixpk= 500, nxpk= 17, iat= 507, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 THR HN 34 GLY HN 6.00 (# 501:17 Unique 4.51, 4.70 A)
&rst
ixpk= 501, nxpk= 17, iat= 451, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 SER HB+ 34 GLY HN 6.00 (# 502:17 Unique 3.86, 5.03 A)
&rst
ixpk= 502, nxpk= 17, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 511, 512,
&end
#
# 33 VAL MGX 33 VAL HN 3.50 (# 503:17 Unique 1.93, 3.46 A)
&rst
ixpk= 503, nxpk= 17, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 55 ALA MB 33 VAL HN 6.00 (# 504:17 Unique 3.45, 4.83 A)
&rst
ixpk= 504, nxpk= 17, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 811, 812, 813,
&end
#
# 32 LEU HB- 33 VAL HN 6.00 (# 505:17 Unique 2.78, 3.80 A)
&rst
ixpk= 505, nxpk= 17, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 469, 470,
&end
#
# 32 LEU HB+ 33 VAL HN 6.00 (# 506:17 Unique 2.78, 3.80 A)
&rst
ixpk= 506, nxpk= 17, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 469, 470,
&end
#
# 33 VAL HB 33 VAL HN 4.50 (# 507:17 Unique 2.64, 3.62 A)
&rst
ixpk= 507, nxpk= 17, iat= 488, 484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLY HA- 33 VAL HN 6.00 (# 508:17 Unique 4.03, 4.39 A)
&rst
ixpk= 508, nxpk= 17, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 502, 503,
&end
#
# 32 LEU HA 33 VAL HN 6.00 (# 509:17 Unique 3.31, 3.35 A)
&rst
ixpk= 509, nxpk= 17, iat= 467, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:510 33 VAL HN 4.50 (# 510:17 Single Ambig)
&rst
ixpk= 510, nxpk= 17, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 486, 434,
&end
#
# 34 GLY HN 33 VAL HN 3.50 (# 512:17 Unique 1.89, 2.06 A)
&rst
ixpk= 512, nxpk= 17, iat= 500, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 THR HN 33 VAL HN 4.50 (# 513:17 Unique 3.84, 4.02 A)
&rst
ixpk= 513, nxpk= 17, iat= 451, 484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU MDY 33 VAL HN 6.00 (# 514:17 Unique 4.63, 6.60 A)
&rst
ixpk= 514, nxpk= 17, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 33 VAL MGY 32 LEU HN 6.00 (# 515:17 Unique 3.06, 4.86 A)
&rst
ixpk= 515, nxpk= 17, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 32 LEU MDY 32 LEU HN 4.50 (# 516:17 Unique 2.99, 4.28 A)
&rst
ixpk= 516, nxpk= 17, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 31 THR MG2 32 LEU HN 6.00 (# 517:17 Unique 4.38, 5.13 A)
&rst
ixpk= 517, nxpk= 17, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 457, 458, 459,
&end
#
# 32 LEU HB- 32 LEU HN 6.00 (# 518:17 Unique 2.59, 3.16 A)
&rst
ixpk= 518, nxpk= 17, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 469, 470,
&end
#
# 32 LEU HG 32 LEU HN 4.50 (# 519:17 Unique 2.17, 2.31 A)
&rst
ixpk= 519, nxpk= 17, iat= 472, 465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 LEU HB+ 32 LEU HN 4.50 (# 520:17 Unique 2.59, 3.16 A)
&rst
ixpk= 520, nxpk= 17, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 469, 470,
&end
#
# 36 CYS HB+ 35 SER HN 6.00 (# 521:17 Unique 4.85, 5.77 A)
&rst
ixpk= 521, nxpk= 17, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 522, 523,
&end
#
# 31 THR HA 32 LEU HN 6.00 (# 522:17 Unique 3.36, 3.38 A)
&rst
ixpk= 522, nxpk= 17, iat= 453, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 LEU HA 32 LEU HN 6.00 (# 523:17 Unique 2.90, 2.92 A)
&rst
ixpk= 523, nxpk= 17, iat= 467, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LEU HA 32 LEU HN 6.00 (# 524:17 Unique 3.06, 3.12 A)
&rst
ixpk= 524, nxpk= 17, iat= 434, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 VAL HN 32 LEU HN 6.00 (# 526:17 Unique 2.16, 2.27 A)
&rst
ixpk= 526, nxpk= 17, iat= 484, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 PHE HD 32 LEU HN 6.00 (# 527:17 Unique 4.05, 5.93 A)
&rst
ixpk= 527, nxpk= 17, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 795, 803,
&end
#
# 32 LEU HA 31 THR HN 6.00 (# 528:17 Unique 4.99, 5.05 A)
&rst
ixpk= 528, nxpk= 17, iat= 467, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LEU MDX 31 THR HN 6.00 (# 529:17 Unique 4.58, 6.17 A)
&rst
ixpk= 529, nxpk= 17, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 32 LEU MDY 31 THR HN 6.00 (# 530:17 Unique 4.30, 5.67 A)
&rst
ixpk= 530, nxpk= 17, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 31 THR MG2 31 THR HN 6.00 (# 531:17 Unique 2.24, 3.45 A)
&rst
ixpk= 531, nxpk= 17, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 457, 458, 459,
&end
#
# 0 AMB 17-2:532 31 THR HN 6.00 (# 532:17 Single Ambig)
&rst
ixpk= 532, nxpk= 17, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 436, 437, 469, 470,
&end
#
# 32 LEU HG 31 THR HN 6.00 (# 533:17 Unique 3.49, 3.63 A)
&rst
ixpk= 533, nxpk= 17, iat= 472, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:534 31 THR HN 6.00 (# 534:17 Single Ambig)
&rst
ixpk= 534, nxpk= 17, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 469, 470, 225, 226,
&end
#
# 29 ASP HB+ 31 THR HN 6.00 (# 535:17 Unique 2.60, 3.75 A)
&rst
ixpk= 535, nxpk= 17, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 424, 425,
&end
#
# 15 ASN HB+ 31 THR HN 6.00 (# 536:17 Unique 3.91, 4.86 A)
&rst
ixpk= 536, nxpk= 17, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 211, 212,
&end
#
# 31 THR HA 31 THR HN 6.00 (# 537:17 Unique 2.80, 2.88 A)
&rst
ixpk= 537, nxpk= 17, iat= 453, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 THR HB 31 THR HN 6.00 (# 538:17 Unique 3.46, 3.59 A)
&rst
ixpk= 538, nxpk= 17, iat= 455, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY HA+ 31 THR HN 6.00 (# 539:17 Unique 5.67, 6.63 A)
&rst
ixpk= 539, nxpk= 17, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 502, 503,
&end
#
# 33 VAL HN 31 THR HN 6.00 (# 541:17 Unique 3.84, 4.02 A)
&rst
ixpk= 541, nxpk= 17, iat= 484, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 PHE HD 31 THR HN 6.00 (# 542:17 Unique 3.06, 5.51 A)
&rst
ixpk= 542, nxpk= 17, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 795, 803,
&end
#
# 30 LEU HN 31 THR HN 6.00 (# 543:17 Unique 2.19, 2.57 A)
&rst
ixpk= 543, nxpk= 17, iat= 432, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:544 31 THR HN 6.00 (# 544:17 Single Ambig)
&rst
ixpk= 544, nxpk= 17, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 500, 420,
&end
#
# 30 LEU MDY 30 LEU HN 6.00 (# 545:17 Unique 3.31, 4.59 A)
&rst
ixpk= 545, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 30 LEU MDX 30 LEU HN 4.50 (# 546:17 Unique 3.31, 4.59 A)
&rst
ixpk= 546, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 55 ALA MB 30 LEU HN 6.00 (# 547:17 Unique 4.69, 5.68 A)
&rst
ixpk= 547, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 811, 812, 813,
&end
#
# 0 AMB 17-2:548 30 LEU HN 2.80 (# 548:17 Single Ambig)
&rst
ixpk= 548, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 439, 436, 437,
&end
#
# 29 ASP HB+ 30 LEU HN 6.00 (# 549:17 Unique 2.66, 3.67 A)
&rst
ixpk= 549, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 424, 425,
&end
#
# 15 ASN HB- 30 LEU HN 6.00 (# 550:17 Unique 3.41, 4.10 A)
&rst
ixpk= 550, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 211, 212,
&end
#
# 15 ASN HB+ 30 LEU HN 6.00 (# 551:17 Unique 3.41, 4.10 A)
&rst
ixpk= 551, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 211, 212,
&end
#
# 31 THR HA 30 LEU HN 6.00 (# 552:17 Unique 4.15, 4.32 A)
&rst
ixpk= 552, nxpk= 17, iat= 453, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LEU HA 30 LEU HN 6.00 (# 553:17 Unique 2.92, 2.94 A)
&rst
ixpk= 553, nxpk= 17, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:554 30 LEU HN 2.80 (# 554:17 Single Ambig)
&rst
ixpk= 554, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 223, 422,
&end
#
# 31 THR HN 30 LEU HN 3.50 (# 555:17 Unique 2.19, 2.57 A)
&rst
ixpk= 555, nxpk= 17, iat= 451, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 17-2:556 29 ASP HN 3.50 (# 556:17 Single Ambig)
&rst
ixpk= 556, nxpk= 17, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 55 ALA MB 29 ASP HN 6.00 (# 557:17 Unique 4.79, 6.01 A)
&rst
ixpk= 557, nxpk= 17, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 811, 812, 813,
&end
#
# 28 VAL HB 29 ASP HN 6.00 (# 558:17 Unique 3.82, 3.95 A)
&rst
ixpk= 558, nxpk= 17, iat= 408, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ASP HB+ 29 ASP HN 4.50 (# 559:17 Unique 2.10, 2.64 A)
&rst
ixpk= 559, nxpk= 17, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 424, 425,
&end
#
# 28 VAL HA 29 ASP HN 2.80 (# 560:17 Unique 2.16, 2.20 A)
&rst
ixpk= 560, nxpk= 17, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 ASP HA 29 ASP HN 4.50 (# 561:17 Unique 2.86, 2.89 A)
&rst
ixpk= 561, nxpk= 17, iat= 422, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 PHE HA 29 ASP HN 4.50 (# 562:17 Unique 2.57, 2.82 A)
&rst
ixpk= 562, nxpk= 17, iat= 789, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ALA HN 29 ASP HN 6.00 (# 563:17 Unique 4.35, 4.73 A)
&rst
ixpk= 563, nxpk= 17, iat= 807, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 VAL HN 29 ASP HN 6.00 (# 564:17 Unique 4.26, 4.32 A)
&rst
ixpk= 564, nxpk= 17, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LEU HN 29 ASP HN 6.00 (# 565:17 Unique 4.51, 4.58 A)
&rst
ixpk= 565, nxpk= 17, iat= 432, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ASP HB+ 28 VAL HN 4.50 (# 566:17 Unique 2.91, 3.72 A)
&rst
ixpk= 566, nxpk= 17, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 396, 397,
&end
#
# 28 VAL HA 28 VAL HN 4.50 (# 567:17 Unique 2.91, 2.92 A)
&rst
ixpk= 567, nxpk= 17, iat= 406, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:568 28 VAL HN 6.00 (# 568:17 Single Ambig)
&rst
ixpk= 568, nxpk= 17, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 223, 422,
&end
#
# 27 ASP HA 28 VAL HN 2.80 (# 569:17 Unique 2.14, 2.18 A)
&rst
ixpk= 569, nxpk= 17, iat= 394, 404, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 17-2:570 28 VAL HN 3.50 (# 570:17 Single Ambig)
&rst
ixpk= 570, nxpk= 17, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 238, 270,
&end
#
# 0 AMB 17-2:571 28 VAL HN 6.00 (# 571:17 Single Ambig)
&rst
ixpk= 571, nxpk= 17, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 228, 229, 228, 229,
&end
#
# 28 VAL HB 28 VAL HN 4.50 (# 572:17 Unique 2.84, 3.25 A)
&rst
ixpk= 572, nxpk= 17, iat= 408, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA MB 28 VAL HN 6.00 (# 573:17 Unique 4.68, 5.35 A)
&rst
ixpk= 573, nxpk= 17, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 242, 243, 244,
&end
#
# 0 AMB 17-2:574 28 VAL HN 2.80 (# 574:17 Single Ambig)
&rst
ixpk= 574, nxpk= 17, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 18 LYS HA 28 VAL HN 6.00 (# 575:17 Unique 2.85, 3.08 A)
&rst
ixpk= 575, nxpk= 17, iat= 250, 404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ARG HD+ 27 ASP HN 6.00 (# 576:17 Unique 3.24, 4.41 A)
&rst
ixpk= 576, nxpk= 17, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 378, 379,
&end
#
# 26 ARG HD- 27 ASP HN 6.00 (# 577:17 Unique 3.24, 4.41 A)
&rst
ixpk= 577, nxpk= 17, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 378, 379,
&end
#
# 27 ASP HB- 27 ASP HN 3.50 (# 578:17 Unique 2.30, 3.17 A)
&rst
ixpk= 578, nxpk= 17, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 396, 397,
&end
#
# 26 ARG HB+ 27 ASP HN 4.50 (# 579:17 Unique 2.06, 2.87 A)
&rst
ixpk= 579, nxpk= 17, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 372, 373,
&end
#
# 26 ARG HB- 27 ASP HN 4.50 (# 580:17 Unique 2.06, 2.87 A)
&rst
ixpk= 580, nxpk= 17, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 372, 373,
&end
#
# 18 LYS HG+ 27 ASP HN 6.00 (# 581:17 Unique 3.99, 4.57 A)
&rst
ixpk= 581, nxpk= 17, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 255, 256,
&end
#
# 0 AMB 17-2:583 27 ASP HN 6.00 (# 583:17 Single Ambig)
&rst
ixpk= 583, nxpk= 17, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 28 VAL HA 27 ASP HN 6.00 (# 585:17 Unique 5.04, 5.24 A)
&rst
ixpk= 585, nxpk= 17, iat= 406, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ARG HA 27 ASP HN 2.80 (# 586:17 Unique 2.34, 2.48 A)
&rst
ixpk= 586, nxpk= 17, iat= 370, 392, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 ASP HA 27 ASP HN 4.50 (# 587:17 Unique 2.88, 2.92 A)
&rst
ixpk= 587, nxpk= 17, iat= 394, 392, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL HN 27 ASP HN 6.00 (# 590:17 Unique 4.26, 4.47 A)
&rst
ixpk= 590, nxpk= 17, iat= 404, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL HN 27 ASP HN 6.00 (# 591:17 Unique 4.91, 5.10 A)
&rst
ixpk= 591, nxpk= 17, iat= 270, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:592 0 AMB 17-1:592 6.00 (# 592:17 Double Ambig)
&rst
ixpk= 592, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 441, 442, 443, 445, 446, 447, 276, 277, 278, 280,
281, 282,
igr2= 238, 368,
&end
#
# 26 ARG HB- 26 ARG HN 3.50 (# 593:17 Unique 2.42, 3.06 A)
&rst
ixpk= 593, nxpk= 17, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 372, 373,
&end
#
# 0 AMB 17-2:594 17 ALA HN 6.00 (# 594:17 Single Ambig)
&rst
ixpk= 594, nxpk= 17, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 228, 229, 228, 229,
&end
#
# 26 ARG HD- 26 ARG HN 6.00 (# 595:17 Unique 3.67, 4.26 A)
&rst
ixpk= 595, nxpk= 17, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 378, 379,
&end
#
# 28 VAL HA 17 ALA HN 6.00 (# 596:17 Unique 4.80, 4.96 A)
&rst
ixpk= 596, nxpk= 17, iat= 406, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ASP HN 26 ARG HN 6.00 (# 597:17 Unique 4.49, 4.53 A)
&rst
ixpk= 597, nxpk= 17, iat= 392, 368, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:598 0 AMB 17-1:598 6.00 (# 598:17 Double Ambig)
&rst
ixpk= 598, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 276, 277, 278, 280, 281, 282, 410, 411, 412, 414,
415, 416, 410, 411, 412, 414, 415, 416,
igr2= 368, 238,
&end
#
# 24 ILE MD1 25 GLN HN 4.50 (# 601:17 Unique 1.94, 2.52 A)
&rst
ixpk= 601, nxpk= 17, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 345, 346, 347,
&end
#
# 24 ILE HG1+ 25 GLN HN 6.00 (# 602:17 Unique 3.84, 4.04 A)
&rst
ixpk= 602, nxpk= 17, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 342, 343,
&end
#
# 24 ILE HG1- 25 GLN HN 6.00 (# 603:17 Unique 3.84, 4.04 A)
&rst
ixpk= 603, nxpk= 17, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 342, 343,
&end
#
# 25 GLN HB- 25 GLN HN 2.80 (# 605:17 Unique 2.08, 2.65 A)
&rst
ixpk= 605, nxpk= 17, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 355, 356,
&end
#
# 25 GLN HB+ 25 GLN HN 2.80 (# 606:17 Unique 2.08, 2.65 A)
&rst
ixpk= 606, nxpk= 17, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 355, 356,
&end
#
# 25 GLN HG+ 25 GLN HN 4.50 (# 607:17 Unique 3.21, 3.98 A)
&rst
ixpk= 607, nxpk= 17, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 358, 359,
&end
#
# 24 ILE HA 25 GLN HN 2.80 (# 608:17 Unique 2.22, 2.23 A)
&rst
ixpk= 608, nxpk= 17, iat= 334, 351, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 GLN HA 25 GLN HN 4.50 (# 609:17 Unique 2.76, 2.76 A)
&rst
ixpk= 609, nxpk= 17, iat= 353, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE HN 25 GLN HN 6.00 (# 610:17 Unique 4.15, 4.18 A)
&rst
ixpk= 610, nxpk= 17, iat= 332, 351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ARG HN 25 GLN HN 6.00 (# 611:17 Unique 4.34, 4.43 A)
&rst
ixpk= 611, nxpk= 17, iat= 368, 351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ILE MG2 24 ILE HN 4.50 (# 612:17 Unique 3.38, 4.22 A)
&rst
ixpk= 612, nxpk= 17, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 338, 339, 340,
&end
#
# 24 ILE HG1+ 24 ILE HN 4.50 (# 613:17 Unique 4.50, 4.91 A)
&rst
ixpk= 613, nxpk= 17, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 342, 343,
&end
#
# 24 ILE HG1- 24 ILE HN 4.50 (# 614:17 Unique 4.50, 4.91 A)
&rst
ixpk= 614, nxpk= 17, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 342, 343,
&end
#
# 24 ILE HB 24 ILE HN 4.50 (# 615:17 Unique 3.08, 3.18 A)
&rst
ixpk= 615, nxpk= 17, iat= 336, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HB 24 ILE HN 6.00 (# 616:17 Unique 2.03, 2.18 A)
&rst
ixpk= 616, nxpk= 17, iat= 302, 332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 CYS HB- 24 ILE HN 6.00 (# 617:17 Unique 5.21, 5.70 A)
&rst
ixpk= 617, nxpk= 17, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 318, 319,
&end
#
# 23 GLY HA- 24 ILE HN 6.00 (# 618:17 Unique 2.53, 3.15 A)
&rst
ixpk= 618, nxpk= 17, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 327, 328,
&end
#
# 22 CYS HA 24 ILE HN 6.00 (# 619:17 Unique 4.88, 4.97 A)
&rst
ixpk= 619, nxpk= 17, iat= 316, 332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ILE HA 24 ILE HN 4.50 (# 620:17 Unique 2.78, 2.79 A)
&rst
ixpk= 620, nxpk= 17, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLN HA 24 ILE HN 6.00 (# 621:17 Unique 4.65, 4.68 A)
&rst
ixpk= 621, nxpk= 17, iat= 353, 332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 ASP HA 24 ILE HN 6.00 (# 622:17 Unique 5.31, 5.46 A)
&rst
ixpk= 622, nxpk= 17, iat= 288, 332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 GLY HN 24 ILE HN 3.50 (# 623:17 Unique 2.34, 2.40 A)
&rst
ixpk= 623, nxpk= 17, iat= 325, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 VAL HN 24 ILE HN 3.50 (# 624:17 Unique 3.48, 3.51 A)
&rst
ixpk= 624, nxpk= 17, iat= 298, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 CYS HN 24 ILE HN 6.00 (# 625:17 Unique 4.34, 4.44 A)
&rst
ixpk= 625, nxpk= 17, iat= 314, 332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 CYS HN 23 GLY HN 3.50 (# 626:17 Unique 2.60, 2.76 A)
&rst
ixpk= 626, nxpk= 17, iat= 314, 325, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 VAL HN 23 GLY HN 4.50 (# 627:17 Unique 4.27, 4.62 A)
&rst
ixpk= 627, nxpk= 17, iat= 298, 325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE HB 23 GLY HN 6.00 (# 628:17 Unique 5.09, 5.13 A)
&rst
ixpk= 628, nxpk= 17, iat= 336, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ILE HN 23 GLY HN 4.50 (# 629:17 Unique 2.34, 2.40 A)
&rst
ixpk= 629, nxpk= 17, iat= 332, 325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HA 23 GLY HN 6.00 (# 630:17 Unique 4.04, 4.09 A)
&rst
ixpk= 630, nxpk= 17, iat= 300, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 GLY HA+ 23 GLY HN 2.80 (# 631:17 Unique 2.34, 2.63 A)
&rst
ixpk= 631, nxpk= 17, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 327, 328,
&end
#
# 22 CYS HA 23 GLY HN 3.50 (# 632:17 Unique 3.44, 3.48 A)
&rst
ixpk= 632, nxpk= 17, iat= 316, 325, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 GLY HA- 23 GLY HN 3.50 (# 633:17 Unique 2.34, 2.63 A)
&rst
ixpk= 633, nxpk= 17, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 327, 328,
&end
#
# 22 CYS HB+ 23 GLY HN 6.00 (# 634:17 Unique 2.84, 3.43 A)
&rst
ixpk= 634, nxpk= 17, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 318, 319,
&end
#
# 21 VAL MGX 23 GLY HN 6.00 (# 635:17 Unique 2.04, 4.11 A)
&rst
ixpk= 635, nxpk= 17, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL MGX 22 CYS HN 6.00 (# 636:17 Unique 1.94, 3.77 A)
&rst
ixpk= 636, nxpk= 17, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL MGY 22 CYS HN 4.50 (# 637:17 Unique 1.94, 3.77 A)
&rst
ixpk= 637, nxpk= 17, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL HB 22 CYS HN 6.00 (# 638:17 Unique 1.95, 3.43 A)
&rst
ixpk= 638, nxpk= 17, iat= 302, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 CYS HB- 22 CYS HN 6.00 (# 639:17 Unique 2.26, 2.73 A)
&rst
ixpk= 639, nxpk= 17, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 318, 319,
&end
#
# 22 CYS HB+ 22 CYS HN 6.00 (# 640:17 Unique 2.26, 2.73 A)
&rst
ixpk= 640, nxpk= 17, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 318, 319,
&end
#
# 22 CYS HA 22 CYS HN 3.50 (# 641:17 Unique 2.75, 2.76 A)
&rst
ixpk= 641, nxpk= 17, iat= 316, 314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 GLY HA+ 22 CYS HN 6.00 (# 642:17 Unique 4.90, 5.22 A)
&rst
ixpk= 642, nxpk= 17, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 327, 328,
&end
#
# 21 VAL HA 22 CYS HN 2.80 (# 643:17 Unique 2.33, 2.36 A)
&rst
ixpk= 643, nxpk= 17, iat= 300, 314, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 GLY HA+ 22 CYS HN 6.00 (# 644:17 Unique 5.53, 5.85 A)
&rst
ixpk= 644, nxpk= 17, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 90, 91,
&end
#
# 23 GLY HN 22 CYS HN 6.00 (# 646:17 Unique 2.60, 2.76 A)
&rst
ixpk= 646, nxpk= 17, iat= 325, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 GLY HA- 22 CYS HN 6.00 (# 647:17 Unique 5.53, 5.85 A)
&rst
ixpk= 647, nxpk= 17, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 90, 91,
&end
#
# 19 VAL MGX 21 VAL HN 6.00 (# 648:17 Unique 3.85, 5.79 A)
&rst
ixpk= 648, nxpk= 17, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 21 VAL MGX 21 VAL HN 3.50 (# 649:17 Unique 1.92, 3.91 A)
&rst
ixpk= 649, nxpk= 17, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 21 VAL MGY 21 VAL HN 4.50 (# 650:17 Unique 1.92, 3.91 A)
&rst
ixpk= 650, nxpk= 17, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 26 ARG HB- 21 VAL HN 6.00 (# 651:17 Unique 5.17, 5.92 A)
&rst
ixpk= 651, nxpk= 17, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 372, 373,
&end
#
# 0 AMB 17-2:652 21 VAL HN 6.00 (# 652:17 Single Ambig)
&rst
ixpk= 652, nxpk= 17, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 372, 373, 336,
&end
#
# 21 VAL HB 21 VAL HN 4.50 (# 653:17 Unique 2.71, 2.78 A)
&rst
ixpk= 653, nxpk= 17, iat= 302, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:654 21 VAL HN 6.00 (# 654:17 Single Ambig)
&rst
ixpk= 654, nxpk= 17, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 358, 359, 290, 291,
&end
#
# 20 ASP HB+ 21 VAL HN 6.00 (# 655:17 Unique 4.25, 4.33 A)
&rst
ixpk= 655, nxpk= 17, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 290, 291,
&end
#
# 25 GLN HA 21 VAL HN 4.50 (# 656:17 Unique 2.09, 2.28 A)
&rst
ixpk= 656, nxpk= 17, iat= 353, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HA 21 VAL HN 2.80 (# 657:17 Unique 2.14, 2.14 A)
&rst
ixpk= 657, nxpk= 17, iat= 288, 298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 ILE HN 21 VAL HN 4.50 (# 658:17 Unique 3.48, 3.51 A)
&rst
ixpk= 658, nxpk= 17, iat= 332, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:659 21 VAL HN 6.00 (# 659:17 Single Ambig)
&rst
ixpk= 659, nxpk= 17, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 375, 376, 375, 376,
&end
#
# 26 ARG HN 21 VAL HN 6.00 (# 660:17 Unique 3.29, 3.39 A)
&rst
ixpk= 660, nxpk= 17, iat= 368, 298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 CYS HN 21 VAL HN 6.00 (# 661:17 Unique 4.46, 4.53 A)
&rst
ixpk= 661, nxpk= 17, iat= 314, 298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL HB 20 ASP HN 4.50 (# 662:17 Unique 4.36, 4.41 A)
&rst
ixpk= 662, nxpk= 17, iat= 274, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HB- 20 ASP HN 4.50 (# 663:17 Unique 2.49, 2.58 A)
&rst
ixpk= 663, nxpk= 17, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 290, 291,
&end
#
# 8 GLN HB+ 20 ASP HN 6.00 (# 664:17 Unique 3.20, 3.60 A)
&rst
ixpk= 664, nxpk= 17, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 99, 100,
&end
#
# 19 VAL MGY 20 ASP HN 4.50 (# 665:17 Unique 2.84, 3.91 A)
&rst
ixpk= 665, nxpk= 17, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 19 VAL MGX 20 ASP HN 4.50 (# 666:17 Unique 2.84, 3.91 A)
&rst
ixpk= 666, nxpk= 17, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 20 ASP HB+ 20 ASP HN 3.50 (# 667:17 Unique 2.49, 2.58 A)
&rst
ixpk= 667, nxpk= 17, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 290, 291,
&end
#
# 9 ILE HA 20 ASP HN 6.00 (# 668:17 Unique 4.12, 4.19 A)
&rst
ixpk= 668, nxpk= 17, iat= 114, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL HA 20 ASP HN 2.80 (# 669:17 Unique 2.15, 2.17 A)
&rst
ixpk= 669, nxpk= 17, iat= 272, 286, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 GLY HA+ 20 ASP HN 6.00 (# 670:17 Unique 2.96, 3.49 A)
&rst
ixpk= 670, nxpk= 17, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 90, 91,
&end
#
# 8 GLN HN 20 ASP HN 6.00 (# 671:17 Unique 1.80, 1.82 A)
&rst
ixpk= 671, nxpk= 17, iat= 95, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:672 20 ASP HN 6.00 (# 672:17 Single Ambig)
&rst
ixpk= 672, nxpk= 17, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 270, 368,
&end
#
# 10 ARG HN 20 ASP HN 6.00 (# 673:17 Unique 3.89, 3.99 A)
&rst
ixpk= 673, nxpk= 17, iat= 131, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL MGX 19 VAL HN 4.50 (# 674:17 Unique 3.18, 4.07 A)
&rst
ixpk= 674, nxpk= 17, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 0 AMB 17-2:675 19 VAL HN 3.50 (# 675:17 Single Ambig)
&rst
ixpk= 675, nxpk= 17, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 18 LYS HG- 19 VAL HN 4.50 (# 676:17 Unique 3.53, 4.00 A)
&rst
ixpk= 676, nxpk= 17, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 255, 256,
&end
#
# 19 VAL HB 19 VAL HN 3.50 (# 677:17 Unique 2.14, 2.15 A)
&rst
ixpk= 677, nxpk= 17, iat= 274, 270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 VAL HA 19 VAL HN 6.00 (# 678:17 Unique 5.45, 5.55 A)
&rst
ixpk= 678, nxpk= 17, iat= 406, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LYS HA 19 VAL HN 2.80 (# 679:17 Unique 2.17, 2.17 A)
&rst
ixpk= 679, nxpk= 17, iat= 250, 270, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 ASP HA 19 VAL HN 4.50 (# 680:17 Unique 3.42, 3.63 A)
&rst
ixpk= 680, nxpk= 17, iat= 394, 270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 LYS HN 19 VAL HN 6.00 (# 681:17 Unique 4.04, 4.09 A)
&rst
ixpk= 681, nxpk= 17, iat= 248, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ILE HA 19 VAL HN 6.00 (# 682:17 Unique 4.57, 4.61 A)
&rst
ixpk= 682, nxpk= 17, iat= 114, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ILE MG2 18 LYS HN 6.00 (# 683:17 Unique 3.14, 4.18 A)
&rst
ixpk= 683, nxpk= 17, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 118, 119, 120,
&end
#
# 18 LYS HB- 18 LYS HN 4.50 (# 685:17 Unique 2.52, 2.82 A)
&rst
ixpk= 685, nxpk= 17, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 252, 253,
&end
#
# 17 ALA MB 18 LYS HN 3.50 (# 686:17 Unique 2.02, 3.06 A)
&rst
ixpk= 686, nxpk= 17, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 242, 243, 244,
&end
#
# 18 LYS HB+ 18 LYS HN 4.50 (# 687:17 Unique 2.52, 2.82 A)
&rst
ixpk= 687, nxpk= 17, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 252, 253,
&end
#
# 12 ILE HA 18 LYS HN 4.50 (# 688:17 Unique 3.35, 3.43 A)
&rst
ixpk= 688, nxpk= 17, iat= 171, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 LYS HA 18 LYS HN 6.00 (# 689:17 Unique 2.95, 2.95 A)
&rst
ixpk= 689, nxpk= 17, iat= 250, 248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HA 18 LYS HN 3.50 (# 690:17 Unique 2.47, 2.53 A)
&rst
ixpk= 690, nxpk= 17, iat= 240, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR HN 18 LYS HN 6.00 (# 691:17 Unique 3.32, 3.37 A)
&rst
ixpk= 691, nxpk= 17, iat= 155, 248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HN 18 LYS HN 4.50 (# 692:17 Unique 4.39, 4.42 A)
&rst
ixpk= 692, nxpk= 17, iat= 238, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ARG HN 18 LYS HN 6.00 (# 693:17 Unique 5.49, 5.55 A)
&rst
ixpk= 693, nxpk= 17, iat= 131, 248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 ASP HN 18 LYS HN 6.00 (# 694:17 Unique 4.23, 4.35 A)
&rst
ixpk= 694, nxpk= 17, iat= 188, 248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ARG HB+ 26 ARG HN 3.50 (# 695:17 Unique 2.42, 3.06 A)
&rst
ixpk= 695, nxpk= 17, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 372, 373,
&end
#
# 0 AMB 17-2:696 0 AMB 17-1:696 4.50 (# 696:17 Double Ambig)
&rst
ixpk= 696, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 358, 359, 355, 356,
igr2= 368, 270,
&end
#
# 20 ASP HA 26 ARG HN 3.50 (# 697:17 Unique 3.55, 3.61 A)
&rst
ixpk= 697, nxpk= 17, iat= 288, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 GLN HA 26 ARG HN 2.80 (# 698:17 Unique 2.14, 2.15 A)
&rst
ixpk= 698, nxpk= 17, iat= 353, 368, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 VAL MGX 26 ARG HN 4.50 (# 699:17 Unique 2.03, 4.59 A)
&rst
ixpk= 699, nxpk= 17, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 16 GLN HB+ 16 GLN HN 3.50 (# 700:17 Unique 2.39, 3.19 A)
&rst
ixpk= 700, nxpk= 17, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 225, 226,
&end
#
# 0 AMB 17-2:701 16 GLN HN 3.50 (# 701:17 Single Ambig)
&rst
ixpk= 701, nxpk= 17, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 228, 229, 228, 229,
&end
#
# 15 ASN HB+ 16 GLN HN 6.00 (# 702:17 Unique 3.12, 3.70 A)
&rst
ixpk= 702, nxpk= 17, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 211, 212,
&end
#
# 14 GLY HA- 16 GLN HN 6.00 (# 704:17 Unique 3.35, 4.10 A)
&rst
ixpk= 704, nxpk= 17, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 202, 203,
&end
#
# 16 GLN HA 16 GLN HN 3.50 (# 705:17 Unique 2.93, 2.94 A)
&rst
ixpk= 705, nxpk= 17, iat= 223, 221, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 ASN HN 16 GLN HN 3.50 (# 706:17 Unique 1.98, 2.16 A)
&rst
ixpk= 706, nxpk= 17, iat= 207, 221, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LEU HN 16 GLN HN 6.00 (# 707:17 Unique 4.31, 4.50 A)
&rst
ixpk= 707, nxpk= 17, iat= 432, 221, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLY HA+ 15 ASN HN 4.50 (# 708:17 Unique 2.14, 2.74 A)
&rst
ixpk= 708, nxpk= 17, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 202, 203,
&end
#
# 16 GLN HN 15 ASN HN 4.50 (# 711:17 Unique 1.98, 2.16 A)
&rst
ixpk= 711, nxpk= 17, iat= 221, 207, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 ASN HB+ 15 ASN HN 6.00 (# 712:17 Unique 2.40, 3.06 A)
&rst
ixpk= 712, nxpk= 17, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 211, 212,
&end
#
# 15 ASN HB- 15 ASN HN 4.50 (# 713:17 Unique 2.40, 3.06 A)
&rst
ixpk= 713, nxpk= 17, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 211, 212,
&end
#
# 0 AMB 17-2:714 15 ASN HN 6.00 (# 714:17 Single Ambig)
&rst
ixpk= 714, nxpk= 17, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 228, 229, 228, 229,
&end
#
# 16 GLN HB- 15 ASN HN 6.00 (# 715:17 Unique 4.03, 4.97 A)
&rst
ixpk= 715, nxpk= 17, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 225, 226,
&end
#
# 12 ILE MG2 15 ASN HN 6.00 (# 716:17 Unique 5.87, 6.72 A)
&rst
ixpk= 716, nxpk= 17, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 175, 176, 177,
&end
#
# 14 GLY HA+ 14 GLY HN 4.50 (# 717:17 Unique 2.30, 2.53 A)
&rst
ixpk= 717, nxpk= 17, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 202, 203,
&end
#
# 14 GLY HA- 14 GLY HN 4.50 (# 718:17 Unique 2.30, 2.53 A)
&rst
ixpk= 718, nxpk= 17, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 202, 203,
&end
#
# 12 ILE HA 14 GLY HN 6.00 (# 719:17 Unique 5.66, 5.68 A)
&rst
ixpk= 719, nxpk= 17, iat= 171, 200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 ASP HA 14 GLY HN 3.50 (# 720:17 Unique 2.14, 2.14 A)
&rst
ixpk= 720, nxpk= 17, iat= 190, 200, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ASP HB+ 14 GLY HN 6.00 (# 721:17 Unique 3.55, 4.20 A)
&rst
ixpk= 721, nxpk= 17, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 192, 193,
&end
#
# 13 ASP HB- 14 GLY HN 6.00 (# 722:17 Unique 3.55, 4.20 A)
&rst
ixpk= 722, nxpk= 17, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 192, 193,
&end
#
# 12 ILE MG2 14 GLY HN 6.00 (# 723:17 Unique 4.04, 5.18 A)
&rst
ixpk= 723, nxpk= 17, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 175, 176, 177,
&end
#
# 13 ASP HN 14 GLY HN 6.00 (# 724:17 Unique 4.28, 4.29 A)
&rst
ixpk= 724, nxpk= 17, iat= 188, 200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 ILE HB 14 GLY HN 6.00 (# 725:17 Unique 5.53, 5.63 A)
&rst
ixpk= 725, nxpk= 17, iat= 173, 200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:726 13 ASP HN 6.00 (# 726:17 Single Ambig)
&rst
ixpk= 726, nxpk= 17, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 441, 442, 443, 445, 446, 447, 179, 180,
&end
#
# 17 ALA MB 13 ASP HN 6.00 (# 727:17 Unique 3.38, 4.20 A)
&rst
ixpk= 727, nxpk= 17, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 242, 243, 244,
&end
#
# 16 GLN HB+ 13 ASP HN 6.00 (# 729:17 Unique 4.95, 5.38 A)
&rst
ixpk= 729, nxpk= 17, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 225, 226,
&end
#
# 0 AMB 17-2:730 13 ASP HN 6.00 (# 730:17 Single Ambig)
&rst
ixpk= 730, nxpk= 17, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 228, 229, 228, 229,
&end
#
# 13 ASP HB+ 13 ASP HN 4.50 (# 731:17 Unique 2.35, 2.88 A)
&rst
ixpk= 731, nxpk= 17, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 192, 193,
&end
#
# 12 ILE HA 13 ASP HN 2.80 (# 732:17 Unique 2.15, 2.16 A)
&rst
ixpk= 732, nxpk= 17, iat= 171, 188, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 ASP HA 13 ASP HN 4.50 (# 733:17 Unique 2.94, 2.95 A)
&rst
ixpk= 733, nxpk= 17, iat= 190, 188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA HA 13 ASP HN 4.50 (# 734:17 Unique 2.06, 2.19 A)
&rst
ixpk= 734, nxpk= 17, iat= 240, 188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 GLN HN 13 ASP HN 6.00 (# 735:17 Unique 4.11, 4.25 A)
&rst
ixpk= 735, nxpk= 17, iat= 221, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LYS HN 13 ASP HN 6.00 (# 736:17 Unique 4.23, 4.35 A)
&rst
ixpk= 736, nxpk= 17, iat= 248, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLY HN 13 ASP HN 6.00 (# 737:17 Unique 4.28, 4.29 A)
&rst
ixpk= 737, nxpk= 17, iat= 200, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HN 13 ASP HN 6.00 (# 738:17 Unique 4.30, 4.36 A)
&rst
ixpk= 738, nxpk= 17, iat= 238, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 ILE HB 13 ASP HN 6.00 (# 739:17 Unique 4.28, 4.34 A)
&rst
ixpk= 739, nxpk= 17, iat= 173, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 ILE MG2 13 ASP HN 4.50 (# 740:17 Unique 2.95, 3.98 A)
&rst
ixpk= 740, nxpk= 17, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 175, 176, 177,
&end
#
# 11 THR HA 11 THR HN 3.50 (# 741:17 Unique 2.94, 2.94 A)
&rst
ixpk= 741, nxpk= 17, iat= 157, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 LYS HA 11 THR HN 6.00 (# 742:17 Unique 5.30, 5.31 A)
&rst
ixpk= 742, nxpk= 17, iat= 250, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HA 11 THR HN 6.00 (# 743:17 Unique 5.40, 5.49 A)
&rst
ixpk= 743, nxpk= 17, iat= 240, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 THR HB 11 THR HN 6.00 (# 744:17 Unique 3.11, 3.15 A)
&rst
ixpk= 744, nxpk= 17, iat= 159, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LYS HN 11 THR HN 4.50 (# 745:17 Unique 3.32, 3.37 A)
&rst
ixpk= 745, nxpk= 17, iat= 248, 155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ILE HN 11 THR HN 6.00 (# 746:17 Unique 4.41, 4.44 A)
&rst
ixpk= 746, nxpk= 17, iat= 169, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ARG HN 11 THR HN 3.50 (# 747:17 Unique 2.92, 2.96 A)
&rst
ixpk= 747, nxpk= 17, iat= 131, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ILE HA 11 THR HN 4.50 (# 748:17 Unique 3.29, 3.37 A)
&rst
ixpk= 748, nxpk= 17, iat= 114, 155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ARG HD- 11 THR HN 6.00 (# 749:17 Unique 5.41, 5.78 A)
&rst
ixpk= 749, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 141, 142,
&end
#
# 0 AMB 17-2:750 11 THR HN 6.00 (# 750:17 Single Ambig)
&rst
ixpk= 750, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 358, 359, 290, 291,
&end
#
# 18 LYS HB+ 11 THR HN 4.50 (# 751:17 Unique 3.32, 3.79 A)
&rst
ixpk= 751, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 252, 253,
&end
#
# 0 AMB 17-2:752 11 THR HN 4.50 (# 752:17 Single Ambig)
&rst
ixpk= 752, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 138, 139, 138, 139,
&end
#
# 0 AMB 17-2:753 11 THR HN 3.50 (# 753:17 Single Ambig)
&rst
ixpk= 753, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 135, 136, 135, 136,
&end
#
# 18 LYS HB- 11 THR HN 4.50 (# 754:17 Unique 3.32, 3.79 A)
&rst
ixpk= 754, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 252, 253,
&end
#
# 11 THR MG2 11 THR HN 4.50 (# 755:17 Unique 4.10, 4.54 A)
&rst
ixpk= 755, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 161, 162, 163,
&end
#
# 12 ILE HG1- 11 THR HN 4.50 (# 756:17 Unique 3.94, 4.86 A)
&rst
ixpk= 756, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 179, 180,
&end
#
# 0 AMB 17-2:757 11 THR HN 4.50 (# 757:17 Single Ambig)
&rst
ixpk= 757, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
&end
#
# 9 ILE MG2 11 THR HN 4.50 (# 758:17 Unique 3.57, 4.74 A)
&rst
ixpk= 758, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 118, 119, 120,
&end
#
# 11 THR HN 10 ARG HN 4.50 (# 760:17 Unique 2.92, 2.96 A)
&rst
ixpk= 760, nxpk= 17, iat= 155, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 LYS HN 10 ARG HN 6.00 (# 761:17 Unique 5.49, 5.55 A)
&rst
ixpk= 761, nxpk= 17, iat= 248, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 ASP HN 10 ARG HN 6.00 (# 762:17 Unique 3.89, 3.99 A)
&rst
ixpk= 762, nxpk= 17, iat= 286, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL HA 10 ARG HN 4.50 (# 764:17 Unique 4.11, 4.17 A)
&rst
ixpk= 764, nxpk= 17, iat= 272, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ILE HA 10 ARG HN 3.50 (# 765:17 Unique 2.89, 2.91 A)
&rst
ixpk= 765, nxpk= 17, iat= 114, 131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 ARG HD+ 10 ARG HN 6.00 (# 766:17 Unique 3.71, 4.11 A)
&rst
ixpk= 766, nxpk= 17, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 141, 142,
&end
#
# 0 AMB 17-2:767 10 ARG HN 6.00 (# 767:17 Single Ambig)
&rst
ixpk= 767, nxpk= 17, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 116, 358, 359,
&end
#
# 0 AMB 17-2:768 10 ARG HN 3.50 (# 768:17 Single Ambig)
&rst
ixpk= 768, nxpk= 17, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 135, 136, 135, 136,
&end
#
# 0 AMB 17-2:769 10 ARG HN 4.50 (# 769:17 Single Ambig)
&rst
ixpk= 769, nxpk= 17, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 138, 139, 138, 139,
&end
#
# 8 GLN HB+ 10 ARG HN 6.00 (# 770:17 Unique 2.69, 3.50 A)
&rst
ixpk= 770, nxpk= 17, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 99, 100,
&end
#
# 0 AMB 17-2:771 10 ARG HN 6.00 (# 771:17 Single Ambig)
&rst
ixpk= 771, nxpk= 17, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
643, 644,
&end
#
# 0 AMB 17-2:772 10 ARG HN 4.50 (# 772:17 Single Ambig)
&rst
ixpk= 772, nxpk= 17, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 118, 119, 120, 276, 277, 278, 280, 281, 282,
&end
#
# 19 VAL MGX 10 ARG HN 6.00 (# 773:17 Unique 4.96, 6.80 A)
&rst
ixpk= 773, nxpk= 17, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 8 GLN HA 9 ILE HN 3.50 (# 774:17 Unique 2.16, 2.18 A)
&rst
ixpk= 774, nxpk= 17, iat= 97, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ILE HA 9 ILE HN 4.50 (# 775:17 Unique 2.88, 2.89 A)
&rst
ixpk= 775, nxpk= 17, iat= 114, 112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 VAL HA 9 ILE HN 6.00 (# 776:17 Unique 4.29, 4.36 A)
&rst
ixpk= 776, nxpk= 17, iat= 272, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HA 9 ILE HN 4.50 (# 777:17 Unique 2.64, 2.81 A)
&rst
ixpk= 777, nxpk= 17, iat= 674, 112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 GLN HN 9 ILE HN 6.00 (# 778:17 Unique 4.85, 5.01 A)
&rst
ixpk= 778, nxpk= 17, iat= 655, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 VAL HA 9 ILE HN 6.00 (# 779:17 Unique 3.92, 4.26 A)
&rst
ixpk= 779, nxpk= 17, iat= 634, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 ASP HB- 9 ILE HN 6.00 (# 780:17 Unique 5.69, 5.89 A)
&rst
ixpk= 780, nxpk= 17, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 290, 291,
&end
#
# 9 ILE HB 9 ILE HN 3.50 (# 781:17 Unique 2.64, 2.67 A)
&rst
ixpk= 781, nxpk= 17, iat= 116, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ILE HG1- 9 ILE HN 3.50 (# 782:17 Unique 1.96, 2.62 A)
&rst
ixpk= 782, nxpk= 17, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 122, 123,
&end
#
# 8 GLN HB+ 9 ILE HN 6.00 (# 783:17 Unique 3.80, 4.09 A)
&rst
ixpk= 783, nxpk= 17, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 99, 100,
&end
#
# 19 VAL MGX 9 ILE HN 4.50 (# 784:17 Unique 3.85, 6.06 A)
&rst
ixpk= 784, nxpk= 17, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 0 AMB 17-2:785 9 ILE HN 6.00 (# 785:17 Single Ambig)
&rst
ixpk= 785, nxpk= 17, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 702, 703, 704, 706, 707, 708, 638, 639, 640, 642,
643, 644,
&end
#
# 0 AMB 17-2:786 9 ILE HN 4.50 (# 786:17 Single Ambig)
&rst
ixpk= 786, nxpk= 17, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 276, 277, 278, 280, 281, 282, 702, 703, 704, 706,
707, 708, 118, 119, 120,
&end
#
# 8 GLN HB- 9 ILE HN 6.00 (# 787:17 Unique 3.80, 4.09 A)
&rst
ixpk= 787, nxpk= 17, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 99, 100,
&end
#
# 8 GLN HB- 8 GLN HN 4.50 (# 788:17 Unique 2.47, 2.69 A)
&rst
ixpk= 788, nxpk= 17, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 99, 100,
&end
#
# 19 VAL MGX 8 GLN HN 4.50 (# 789:17 Unique 3.17, 4.44 A)
&rst
ixpk= 789, nxpk= 17, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 19 VAL MGY 8 GLN HN 6.00 (# 790:17 Unique 3.17, 4.44 A)
&rst
ixpk= 790, nxpk= 17, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 8 GLN HB+ 8 GLN HN 4.50 (# 792:17 Unique 2.47, 2.69 A)
&rst
ixpk= 792, nxpk= 17, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 99, 100,
&end
#
# 19 VAL HB 8 GLN HN 6.00 (# 793:17 Unique 5.50, 5.52 A)
&rst
ixpk= 793, nxpk= 17, iat= 274, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 ASP HB- 8 GLN HN 6.00 (# 794:17 Unique 1.92, 2.57 A)
&rst
ixpk= 794, nxpk= 17, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 290, 291,
&end
#
# 20 ASP HB+ 8 GLN HN 6.00 (# 795:17 Unique 1.92, 2.57 A)
&rst
ixpk= 795, nxpk= 17, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 290, 291,
&end
#
# 7 GLY HA- 8 GLN HN 4.50 (# 796:17 Unique 2.44, 2.56 A)
&rst
ixpk= 796, nxpk= 17, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 90, 91,
&end
#
# 8 GLN HA 8 GLN HN 6.00 (# 797:17 Unique 2.92, 2.93 A)
&rst
ixpk= 797, nxpk= 17, iat= 97, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 GLY HA+ 8 GLN HN 4.50 (# 798:17 Unique 2.44, 2.56 A)
&rst
ixpk= 798, nxpk= 17, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 90, 91,
&end
#
# 20 ASP HA 8 GLN HN 6.00 (# 799:17 Unique 3.86, 3.92 A)
&rst
ixpk= 799, nxpk= 17, iat= 288, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HZ3 8 GLN HN 6.00 (# 800:17 Unique 4.33, 4.53 A)
&rst
ixpk= 800, nxpk= 17, iat= 689, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 ASP HN 8 GLN HN 6.00 (# 801:17 Unique 1.80, 1.82 A)
&rst
ixpk= 801, nxpk= 17, iat= 286, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 GLY HN 8 GLN HN 6.00 (# 802:17 Unique 4.35, 4.39 A)
&rst
ixpk= 802, nxpk= 17, iat= 88, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ILE HN 8 GLN HN 6.00 (# 803:17 Unique 4.47, 4.49 A)
&rst
ixpk= 803, nxpk= 17, iat= 112, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL MGX 7 GLY HN 6.00 (# 804:17 Unique 2.05, 3.83 A)
&rst
ixpk= 804, nxpk= 17, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 19 VAL MGY 7 GLY HN 4.50 (# 805:17 Unique 2.05, 3.83 A)
&rst
ixpk= 805, nxpk= 17, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 276, 277, 278, 280, 281, 282,
&end
#
# 0 AMB 17-2:806 7 GLY HN 4.50 (# 806:17 Single Ambig)
&rst
ixpk= 806, nxpk= 17, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 737, 738, 739, 741, 742, 743, 702, 703, 704, 706,
707, 708,
&end
#
# 6 PRO HG- 7 GLY HN 6.00 (# 807:17 Unique 4.51, 5.07 A)
&rst
ixpk= 807, nxpk= 17, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 78, 79,
&end
#
# 6 PRO HB+ 7 GLY HN 3.50 (# 808:17 Unique 2.72, 3.42 A)
&rst
ixpk= 808, nxpk= 17, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 81, 82,
&end
#
# 6 PRO HB- 7 GLY HN 6.00 (# 809:17 Unique 2.72, 3.42 A)
&rst
ixpk= 809, nxpk= 17, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 81, 82,
&end
#
# 7 GLY HA- 7 GLY HN 2.80 (# 810:17 Unique 2.49, 2.77 A)
&rst
ixpk= 810, nxpk= 17, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 90, 91,
&end
#
# 49 LEU HA 7 GLY HN 6.00 (# 811:17 Unique 3.39, 3.58 A)
&rst
ixpk= 811, nxpk= 17, iat= 714, 88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 GLY HA+ 7 GLY HN 6.00 (# 812:17 Unique 2.49, 2.77 A)
&rst
ixpk= 812, nxpk= 17, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 90, 91,
&end
#
# 48 VAL HA 7 GLY HN 6.00 (# 813:17 Unique 4.52, 4.83 A)
&rst
ixpk= 813, nxpk= 17, iat= 698, 88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PRO HA 7 GLY HN 2.80 (# 814:17 Unique 2.16, 2.25 A)
&rst
ixpk= 814, nxpk= 17, iat= 84, 88, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 TRP HE3 7 GLY HN 6.00 (# 815:17 Unique 2.78, 3.12 A)
&rst
ixpk= 815, nxpk= 17, iat= 691, 88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 GLN HN 7 GLY HN 6.00 (# 816:17 Unique 4.35, 4.39 A)
&rst
ixpk= 816, nxpk= 17, iat= 95, 88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 VAL HN 7 GLY HN 6.00 (# 817:17 Unique 4.35, 4.83 A)
&rst
ixpk= 817, nxpk= 17, iat= 731, 88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 VAL HN 7 GLY HN 4.50 (# 818:17 Unique 2.50, 2.90 A)
&rst
ixpk= 818, nxpk= 17, iat= 696, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ILE MG2 5 VAL HN 6.00 (# 819:17 Unique 1.93, 3.79 A)
&rst
ixpk= 819, nxpk= 17, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 38, 39, 40,
&end
#
# 0 AMB 17-2:820 5 VAL HN 6.00 (# 820:17 Single Ambig)
&rst
ixpk= 820, nxpk= 17, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 42, 43, 737, 738, 739, 741, 742, 743,
&end
#
# 0 AMB 17-2:821 5 VAL HN 4.50 (# 821:17 Single Ambig)
&rst
ixpk= 821, nxpk= 17, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 64, 65, 66, 68, 69, 70, 64, 65, 66, 68,
69, 70,
&end
#
# 0 AMB 17-2:822 5 VAL HN 6.00 (# 822:17 Single Ambig)
&rst
ixpk= 822, nxpk= 17, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 716, 717,1039,1040,
&end
#
# 5 VAL HB 5 VAL HN 4.50 (# 823:17 Unique 2.58, 2.90 A)
&rst
ixpk= 823, nxpk= 17, iat= 62, 58, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 VAL HB 5 VAL HN 6.00 (# 824:17 Unique 1.95, 3.41 A)
&rst
ixpk= 824, nxpk= 17, iat= 735, 58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PRO HD+ 5 VAL HN 6.00 (# 825:17 Unique 4.08, 4.65 A)
&rst
ixpk= 825, nxpk= 17, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 75, 76,
&end
#
# 49 LEU HA 5 VAL HN 6.00 (# 826:17 Unique 4.52, 5.26 A)
&rst
ixpk= 826, nxpk= 17, iat= 714, 58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 VAL HA 5 VAL HN 6.00 (# 827:17 Unique 2.91, 2.94 A)
&rst
ixpk= 827, nxpk= 17, iat= 60, 58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 VAL HN 5 VAL HN 3.50 (# 828:17 Unique 2.67, 3.61 A)
&rst
ixpk= 828, nxpk= 17, iat= 731, 58, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 17-2:830 4 GLY HN 6.00 (# 830:17 Single Ambig)
&rst
ixpk= 830, nxpk= 17, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 45, 46, 47, 38, 39, 40,
&end
#
# 3 ILE HG1- 4 GLY HN 6.00 (# 831:17 Unique 1.95, 4.07 A)
&rst
ixpk= 831, nxpk= 17, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 42, 43,
&end
#
# 3 ILE HB 4 GLY HN 6.00 (# 832:17 Unique 2.08, 3.89 A)
&rst
ixpk= 832, nxpk= 17, iat= 36, 51, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:833 4 GLY HN 6.00 (# 833:17 Single Ambig)
&rst
ixpk= 833, nxpk= 17, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 53, 54, 53, 54,
&end
#
# 3 ILE HA 4 GLY HN 2.80 (# 834:17 Unique 2.17, 2.31 A)
&rst
ixpk= 834, nxpk= 17, iat= 34, 51, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 ILE HG1+ 4 GLY HN 6.00 (# 835:17 Unique 1.95, 4.07 A)
&rst
ixpk= 835, nxpk= 17, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 42, 43,
&end
#
# 0 AMB 17-2:836 4 GLY HN 6.00 (# 836:17 Single Ambig)
&rst
ixpk= 836, nxpk= 17, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 45, 46, 47, 38, 39, 40,
&end
#
# 0 AMB 17-2:837 4 GLY HN 6.00 (# 837:17 Single Ambig)
&rst
ixpk= 837, nxpk= 17, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 45, 46, 47, 38, 39, 40,
&end
#
# 68 LEU HB+ 69 ASP HN 3.50 (# 847:17 Unique 2.67, 3.09 A)
&rst
ixpk= 847, nxpk= 17, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 998, 999,
&end
#
# 75 PHE HB- 75 PHE HN 4.50 (# 848:17 Unique 2.13, 2.66 A)
&rst
ixpk= 848, nxpk= 17, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1106,1107,
&end
#
# 75 PHE HB+ 75 PHE HN 4.50 (# 849:17 Unique 2.13, 2.66 A)
&rst
ixpk= 849, nxpk= 17, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1106,1107,
&end
#
# 0 AMB 17-2:850 75 PHE HN 4.50 (# 850:17 Single Ambig)
&rst
ixpk= 850, nxpk= 17, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1104,1073,
&end
#
# 68 LEU HN 69 ASP HN 4.50 (# 851:17 Unique 2.68, 2.76 A)
&rst
ixpk= 851, nxpk= 17, iat= 994,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 ALA HN 69 ASP HN 3.50 (# 852:17 Unique 2.18, 2.35 A)
&rst
ixpk= 852, nxpk= 17, iat=1025,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ILE HB 3 ILE HN 6.00 (# 856:17 Unique 2.30, 2.95 A)
&rst
ixpk= 856, nxpk= 17, iat= 36, 32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:857 3 ILE HN 6.00 (# 857:17 Single Ambig)
&rst
ixpk= 857, nxpk= 17, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 45, 46, 47, 38, 39, 40,
&end
#
# 0 AMB 17-2:858 5 VAL HN 4.50 (# 858:17 Single Ambig)
&rst
ixpk= 858, nxpk= 17, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 53, 54, 53, 54,
&end
#
# 47 TRP HZ3 7 GLY HN 6.00 (# 859:17 Unique 4.43, 4.56 A)
&rst
ixpk= 859, nxpk= 17, iat= 689, 88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 VAL HN 11 THR HN 6.00 (# 860:17 Unique 5.75, 5.78 A)
&rst
ixpk= 860, nxpk= 17, iat= 270, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 ASP HA 12 ILE HN 6.00 (# 861:17 Unique 4.67, 4.71 A)
&rst
ixpk= 861, nxpk= 17, iat= 190, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 ASP HB- 13 ASP HN 6.00 (# 862:17 Unique 2.35, 2.88 A)
&rst
ixpk= 862, nxpk= 17, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 192, 193,
&end
#
# 12 ILE HN 13 ASP HN 6.00 (# 863:17 Unique 3.96, 4.02 A)
&rst
ixpk= 863, nxpk= 17, iat= 169, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 GLN HN 14 GLY HN 6.00 (# 864:17 Unique 4.56, 4.80 A)
&rst
ixpk= 864, nxpk= 17, iat= 221, 200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLY HA- 15 ASN HN 4.50 (# 866:17 Unique 2.14, 2.74 A)
&rst
ixpk= 866, nxpk= 17, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 202, 203,
&end
#
# 15 ASN HD2+ 15 ASN HN 6.00 (# 869:17 Unique 4.66, 4.97 A)
&rst
ixpk= 869, nxpk= 17, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 216, 217,
&end
#
# 17 ALA HN 16 GLN HN 4.50 (# 870:17 Unique 4.31, 4.46 A)
&rst
ixpk= 870, nxpk= 17, iat= 238, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA MB 16 GLN HN 6.00 (# 871:17 Unique 5.50, 6.23 A)
&rst
ixpk= 871, nxpk= 17, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 242, 243, 244,
&end
#
# 67 THR HN 66 ASP HN 3.50 (# 872:17 Unique 2.34, 2.49 A)
&rst
ixpk= 872, nxpk= 17, iat= 980, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 GLN HA 17 ALA HN 3.50 (# 873:17 Unique 2.14, 2.38 A)
&rst
ixpk= 873, nxpk= 17, iat= 223, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ALA HA 17 ALA HN 4.50 (# 874:17 Unique 2.89, 2.91 A)
&rst
ixpk= 874, nxpk= 17, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA MB 17 ALA HN 3.50 (# 875:17 Unique 2.29, 3.30 A)
&rst
ixpk= 875, nxpk= 17, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 242, 243, 244,
&end
#
# 16 GLN HB+ 17 ALA HN 3.50 (# 876:17 Unique 2.32, 3.36 A)
&rst
ixpk= 876, nxpk= 17, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 225, 226,
&end
#
# 11 THR HN 20 ASP HN 6.00 (# 877:17 Unique 5.28, 5.39 A)
&rst
ixpk= 877, nxpk= 17, iat= 155, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 GLY HN 21 VAL HN 6.00 (# 878:17 Unique 4.27, 4.62 A)
&rst
ixpk= 878, nxpk= 17, iat= 325, 298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 CYS HB+ 37 ASP HN 6.00 (# 879:17 Unique 2.41, 3.59 A)
&rst
ixpk= 879, nxpk= 17, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 522, 523,
&end
#
# 0 AMB 17-2:880 30 LEU HN 6.00 (# 880:17 Single Ambig)
&rst
ixpk= 880, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 424, 425, 228, 229,
&end
#
# 32 LEU HG 33 VAL HN 6.00 (# 881:17 Unique 3.94, 4.33 A)
&rst
ixpk= 881, nxpk= 17, iat= 472, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ASP HN 36 CYS HN 6.00 (# 882:17 Unique 4.12, 4.31 A)
&rst
ixpk= 882, nxpk= 17, iat= 529, 518, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 VAL MGX 36 CYS HN 6.00 (# 883:17 Unique 3.99, 6.26 A)
&rst
ixpk= 883, nxpk= 17, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 41 GLN HA 37 ASP HN 6.00 (# 884:17 Unique 4.54, 4.93 A)
&rst
ixpk= 884, nxpk= 17, iat= 579, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 GLU HN 40 GLY HN 6.00 (# 885:17 Unique 3.71, 3.92 A)
&rst
ixpk= 885, nxpk= 17, iat= 541, 570, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 HIS HB+ 52 VAL HN 6.00 (# 886:17 Unique 2.73, 3.35 A)
&rst
ixpk= 886, nxpk= 17, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 751, 752,
&end
#
# 32 LEU HB+ 55 ALA HN 6.00 (# 888:17 Unique 3.43, 4.36 A)
&rst
ixpk= 888, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 469, 470,
&end
#
# 0 AMB 17-2:889 55 ALA HN 4.50 (# 889:17 Single Ambig)
&rst
ixpk= 889, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
415, 416,
&end
#
# 48 VAL MGX 59 ILE HN 6.00 (# 890:17 Unique 3.88, 5.49 A)
&rst
ixpk= 890, nxpk= 17, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 702, 703, 704, 706, 707, 708,
&end
#
# 79 PRO HB+ 83 ALA HN 6.00 (# 891:17 Unique 2.80, 5.37 A)
&rst
ixpk= 891, nxpk= 17, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1172,1173,
&end
#
# 80 ASP HB+ 83 ALA HN 6.00 (# 892:17 Unique 4.66, 5.59 A)
&rst
ixpk= 892, nxpk= 17, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1183,1184,
&end
#
# 49 LEU HN 59 ILE HN 6.00 (# 894:17 Unique 3.91, 4.35 A)
&rst
ixpk= 894, nxpk= 17, iat= 712, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 VAL MGY 33 VAL HN 4.50 (# 895:17 Unique 1.93, 3.46 A)
&rst
ixpk= 895, nxpk= 17, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 59 ILE MD1 60 ASN HN 6.00 (# 896:17 Unique 3.76, 4.49 A)
&rst
ixpk= 896, nxpk= 17, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 874, 875, 876,
&end
#
# 47 TRP HN 61 GLU HN 6.00 (# 897:17 Unique 4.08, 4.30 A)
&rst
ixpk= 897, nxpk= 17, iat= 672, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 GLU HB- 61 GLU HN 3.50 (# 898:17 Unique 2.77, 3.19 A)
&rst
ixpk= 898, nxpk= 17, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 898, 899,
&end
#
# 61 GLU HB- 62 ALA HN 3.50 (# 899:17 Unique 3.15, 3.79 A)
&rst
ixpk= 899, nxpk= 17, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 898, 899,
&end
#
# 0 AMB 17-2:900 65 ARG HN 6.00 (# 900:17 Single Ambig)
&rst
ixpk= 900, nxpk= 17, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 954, 955, 954, 955,
&end
#
# 71 LEU HN 72 GLN HN 3.50 (# 901:17 Unique 2.25, 2.46 A)
&rst
ixpk= 901, nxpk= 17, iat=1035,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 17-2:902 76 ASP HN 3.50 (# 902:17 Single Ambig)
&rst
ixpk= 902, nxpk= 17, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1124,1104,
&end
#
# 77 VAL HN 76 ASP HN 3.50 (# 903:17 Unique 2.17, 2.61 A)
&rst
ixpk= 903, nxpk= 17, iat=1134,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 ASP HN 77 VAL HN 6.00 (# 904:17 Unique 2.17, 2.61 A)
&rst
ixpk= 904, nxpk= 17, iat=1122,1134, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 ASP HN 78 GLU HN 4.50 (# 905:17 Unique 3.61, 5.57 A)
&rst
ixpk= 905, nxpk= 17, iat=1122,1150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 GLU HB- 81 VAL HN 6.00 (# 910:17 Unique 3.26, 6.48 A)
&rst
ixpk= 910, nxpk= 17, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1154,1155,
&end
#
# 47 TRP HB+ 7 GLY HN 6.00 (# 911:17 Unique 3.02, 4.34 A)
&rst
ixpk= 911, nxpk= 17, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 676, 677,
&end
#
# 58 VAL MGX 46 GLN HE2+ 6.00 (# 912:17 Unique 3.27, 6.21 A)
&rst
ixpk= 912, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 851, 852, 853, 855, 856, 857,
igr2= 667, 668,
&end
#
# 84 LEU HN 83 ALA HN 4.50 (# 913:17 Unique 2.13, 2.47 A)
&rst
ixpk= 913, nxpk= 17, iat=1224,1214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ALA HA 61 GLU HN 6.00 (# 915:17 Unique 4.97, 5.02 A)
&rst
ixpk= 915, nxpk= 17, iat= 911, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 VAL HA 85 LEU HN 6.00 (# 916:17 Unique 3.78, 4.18 A)
&rst
ixpk= 916, nxpk= 17, iat=1193,1243, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 GLY HA- 85 LEU HN 6.00 (# 917:17 Unique 3.22, 4.29 A)
&rst
ixpk= 917, nxpk= 17, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1209,1210,
&end
#
# 31 THR HB 32 LEU HN 6.00 (# 918:17 Unique 3.74, 4.02 A)
&rst
ixpk= 918, nxpk= 17, iat= 455, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 VAL MGY 35 SER HN 6.00 (# 919:17 Unique 1.93, 4.62 A)
&rst
ixpk= 919, nxpk= 17, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 30 LEU MDY 35 SER HN 6.00 (# 920:17 Unique 3.15, 5.13 A)
&rst
ixpk= 920, nxpk= 17, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 441, 442, 443, 445, 446, 447,
&end
#
# 86 TYR HB+ 87 GLY HN 6.00 (# 922:17 Unique 2.16, 3.15 A)
&rst
ixpk= 922, nxpk= 17, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1266,1267,
&end
#
# 88 GLU HB+ 88 GLU HN 6.00 (# 923:17 Unique 2.19, 3.00 A)
&rst
ixpk= 923, nxpk= 17, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1294,1295,
&end
#
# 79 PRO HA 83 ALA HN 6.00 (# 924:17 Unique 4.21, 5.43 A)
&rst
ixpk= 924, nxpk= 17, iat=1175,1214, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 LYS HD+ 25 GLN HE2+ 6.00 (# 927:17 Unique 1.93, 3.68 A)
&rst
ixpk= 927, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 258, 259,
igr2= 363, 364,
&end
#
# 18 LYS HD- 25 GLN HE2+ 6.00 (# 928:17 Unique 1.93, 3.68 A)
&rst
ixpk= 928, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 258, 259,
igr2= 363, 364,
&end
#
# 25 GLN HB- 25 GLN HE2+ 6.00 (# 929:17 Unique 2.01, 3.03 A)
&rst
ixpk= 929, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 355, 356,
igr2= 363, 364,
&end
#
# 0 AMB 17-2:930 0 AMB 17-1:930 4.50 (# 930:17 Double Ambig)
&rst
ixpk= 930, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 355, 356, 358, 359,
igr2= 363, 364, 363, 364,
&end
#
# 25 GLN HG+ 25 GLN HE2+ 4.50 (# 931:17 Unique 2.65, 3.52 A)
&rst
ixpk= 931, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 358, 359,
igr2= 363, 364,
&end
#
# 18 LYS HD+ 25 GLN HE2- 6.00 (# 932:17 Unique 1.93, 3.68 A)
&rst
ixpk= 932, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 258, 259,
igr2= 363, 364,
&end
#
# 25 GLN HB- 25 GLN HE2- 6.00 (# 933:17 Unique 2.01, 3.03 A)
&rst
ixpk= 933, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 355, 356,
igr2= 363, 364,
&end
#
# 18 LYS HD- 25 GLN HE2- 6.00 (# 934:17 Unique 1.93, 3.68 A)
&rst
ixpk= 934, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 258, 259,
igr2= 363, 364,
&end
#
# 0 AMB 17-2:935 25 GLN HE2- 6.00 (# 935:17 Single Ambig)
&rst
ixpk= 935, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 355, 356, 358, 359,
igr2= 363, 364,
&end
#
# 25 GLN HG+ 25 GLN HE2- 6.00 (# 936:17 Unique 2.65, 3.52 A)
&rst
ixpk= 936, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 358, 359,
igr2= 363, 364,
&end
#
# 25 GLN HN 25 GLN HE2+ 6.00 (# 939:17 Unique 4.13, 5.05 A)
&rst
ixpk= 939, nxpk= 17, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 0 AMB 17-2:942 47 TRP HE1 2.80 (# 942:17 Single Ambig)
&rst
ixpk= 942, nxpk= 17, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 680, 685,
&end
#
# 47 TRP HH2 47 TRP HE1 6.00 (# 943:17 Unique 4.96, 4.97 A)
&rst
ixpk= 943, nxpk= 17, iat= 687, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 GLN HE2- 47 TRP HE1 6.00 (# 944:17 Unique 2.68, 3.24 A)
&rst
ixpk= 944, nxpk= 17, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 107, 108,
&end
#
# 61 GLU HN 47 TRP HE1 6.00 (# 945:17 Unique 4.93, 5.29 A)
&rst
ixpk= 945, nxpk= 17, iat= 894, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:946 47 TRP HE1 6.00 (# 946:17 Single Ambig)
&rst
ixpk= 946, nxpk= 17, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 672, 112,
&end
#
# 46 GLN HA 47 TRP HE1 6.00 (# 947:17 Unique 5.12, 5.28 A)
&rst
ixpk= 947, nxpk= 17, iat= 657, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HB+ 47 TRP HE1 6.00 (# 948:17 Unique 4.94, 5.11 A)
&rst
ixpk= 948, nxpk= 17, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 676, 677,
&end
#
# 61 GLU HA 47 TRP HE1 6.00 (# 949:17 Unique 3.72, 3.87 A)
&rst
ixpk= 949, nxpk= 17, iat= 896, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 GLU HG+ 47 TRP HE1 3.50 (# 950:17 Unique 2.28, 3.48 A)
&rst
ixpk= 950, nxpk= 17, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 901, 902,
&end
#
# 8 GLN HG- 47 TRP HE1 6.00 (# 951:17 Unique 2.26, 3.12 A)
&rst
ixpk= 951, nxpk= 17, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 16 GLN HB+ 16 GLN HE2+ 4.50 (# 953:17 Unique 1.95, 3.24 A)
&rst
ixpk= 953, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 225, 226,
igr2= 233, 234,
&end
#
# 0 AMB 17-2:954 0 AMB 17-1:954 2.80 (# 954:17 Double Ambig)
&rst
ixpk= 954, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 228, 229, 228, 229,
igr2= 233, 234, 233, 234,
&end
#
# 27 ASP HB+ 16 GLN HE2+ 6.00 (# 955:17 Unique 1.94, 4.53 A)
&rst
ixpk= 955, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 396, 397,
igr2= 233, 234,
&end
#
# 27 ASP HB+ 16 GLN HE2- 6.00 (# 956:17 Unique 1.94, 4.53 A)
&rst
ixpk= 956, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 396, 397,
igr2= 233, 234,
&end
#
# 16 GLN HB+ 16 GLN HE2- 4.50 (# 957:17 Unique 1.95, 3.24 A)
&rst
ixpk= 957, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 225, 226,
igr2= 233, 234,
&end
#
# 0 AMB 17-2:958 16 GLN HE2- 3.50 (# 958:17 Single Ambig)
&rst
ixpk= 958, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 228, 229, 228, 229,
igr2= 233, 234,
&end
#
# 15 ASN HB- 16 GLN HE2- 6.00 (# 959:17 Unique 5.20, 7.63 A)
&rst
ixpk= 959, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 211, 212,
igr2= 233, 234,
&end
#
# 15 ASN HB- 16 GLN HE2+ 6.00 (# 960:17 Unique 5.20, 7.63 A)
&rst
ixpk= 960, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 211, 212,
igr2= 233, 234,
&end
#
# 15 ASN HB- 15 ASN HD2+ 4.50 (# 963:17 Unique 2.12, 3.23 A)
&rst
ixpk= 963, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 211, 212,
igr2= 216, 217,
&end
#
# 15 ASN HB+ 15 ASN HD2+ 6.00 (# 964:17 Unique 2.12, 3.23 A)
&rst
ixpk= 964, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 211, 212,
igr2= 216, 217,
&end
#
# 31 THR HA 15 ASN HD2+ 6.00 (# 965:17 Unique 2.74, 3.98 A)
&rst
ixpk= 965, nxpk= 17, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 216, 217,
&end
#
# 15 ASN HB- 15 ASN HD2- 6.00 (# 967:17 Unique 2.12, 3.23 A)
&rst
ixpk= 967, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 211, 212,
igr2= 216, 217,
&end
#
# 15 ASN HB+ 15 ASN HD2- 6.00 (# 968:17 Unique 2.12, 3.23 A)
&rst
ixpk= 968, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 211, 212,
igr2= 216, 217,
&end
#
# 31 THR HA 15 ASN HD2- 6.00 (# 969:17 Unique 2.74, 3.98 A)
&rst
ixpk= 969, nxpk= 17, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 216, 217,
&end
#
# 31 THR MG2 15 ASN HD2+ 6.00 (# 971:17 Unique 2.25, 4.49 A)
&rst
ixpk= 971, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 457, 458, 459,
igr2= 216, 217,
&end
#
# 31 THR MG2 15 ASN HD2- 6.00 (# 972:17 Unique 2.25, 4.49 A)
&rst
ixpk= 972, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 457, 458, 459,
igr2= 216, 217,
&end
#
# 8 GLN HB- 8 GLN HE2+ 6.00 (# 973:17 Unique 4.28, 4.51 A)
&rst
ixpk= 973, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 99, 100,
igr2= 107, 108,
&end
#
# 8 GLN HB- 8 GLN HE2- 6.00 (# 974:17 Unique 4.28, 4.51 A)
&rst
ixpk= 974, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 99, 100,
igr2= 107, 108,
&end
#
# 8 GLN HG- 8 GLN HE2+ 4.50 (# 975:17 Unique 2.37, 3.08 A)
&rst
ixpk= 975, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 102, 103,
igr2= 107, 108,
&end
#
# 8 GLN HG- 8 GLN HE2- 6.00 (# 976:17 Unique 2.37, 3.08 A)
&rst
ixpk= 976, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 103,
igr2= 107, 108,
&end
#
# 8 GLN HG+ 8 GLN HE2+ 6.00 (# 977:17 Unique 2.37, 3.08 A)
&rst
ixpk= 977, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 103,
igr2= 107, 108,
&end
#
# 8 GLN HG+ 8 GLN HE2- 6.00 (# 978:17 Unique 2.37, 3.08 A)
&rst
ixpk= 978, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 103,
igr2= 107, 108,
&end
#
# 45 GLY HA- 8 GLN HE2- 6.00 (# 979:17 Unique 2.27, 3.93 A)
&rst
ixpk= 979, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 650, 651,
igr2= 107, 108,
&end
#
# 45 GLY HA- 8 GLN HE2+ 6.00 (# 980:17 Unique 2.27, 3.93 A)
&rst
ixpk= 980, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 650, 651,
igr2= 107, 108,
&end
#
# 45 GLY HA+ 8 GLN HE2+ 6.00 (# 981:17 Unique 2.27, 3.93 A)
&rst
ixpk= 981, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 650, 651,
igr2= 107, 108,
&end
#
# 45 GLY HA+ 8 GLN HE2- 6.00 (# 982:17 Unique 2.27, 3.93 A)
&rst
ixpk= 982, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 650, 651,
igr2= 107, 108,
&end
#
# 47 TRP HE1 8 GLN HE2+ 6.00 (# 983:17 Unique 2.68, 3.24 A)
&rst
ixpk= 983, nxpk= 17, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 107, 108,
&end
#
# 47 TRP HE1 8 GLN HE2- 6.00 (# 984:17 Unique 2.68, 3.24 A)
&rst
ixpk= 984, nxpk= 17, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 107, 108,
&end
#
# 39 ASN HB- 39 ASN HD2- 4.50 (# 985:17 Unique 2.19, 3.38 A)
&rst
ixpk= 985, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 560, 561,
igr2= 565, 566,
&end
#
# 39 ASN HB+ 39 ASN HD2- 6.00 (# 986:17 Unique 2.19, 3.38 A)
&rst
ixpk= 986, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 560, 561,
igr2= 565, 566,
&end
#
# 38 GLU HB+ 39 ASN HD2- 6.00 (# 987:17 Unique 2.87, 4.51 A)
&rst
ixpk= 987, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 545, 546,
igr2= 565, 566,
&end
#
# 38 GLU HB+ 39 ASN HD2+ 6.00 (# 990:17 Unique 2.87, 4.51 A)
&rst
ixpk= 990, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 545, 546,
igr2= 565, 566,
&end
#
# 39 ASN HB- 39 ASN HD2+ 6.00 (# 991:17 Unique 2.19, 3.38 A)
&rst
ixpk= 991, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 560, 561,
igr2= 565, 566,
&end
#
# 39 ASN HB+ 39 ASN HD2+ 6.00 (# 992:17 Unique 2.19, 3.38 A)
&rst
ixpk= 992, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 560, 561,
igr2= 565, 566,
&end
#
# 39 ASN HA 39 ASN HD2+ 6.00 (# 993:17 Unique 2.72, 3.40 A)
&rst
ixpk= 993, nxpk= 17, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 565, 566,
&end
#
# 39 ASN HA 39 ASN HD2- 6.00 (# 994:17 Unique 2.72, 3.40 A)
&rst
ixpk= 994, nxpk= 17, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 565, 566,
&end
#
# 39 ASN HN 39 ASN HD2- 4.50 (# 995:17 Unique 2.26, 3.93 A)
&rst
ixpk= 995, nxpk= 17, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 565, 566,
&end
#
# 39 ASN HN 39 ASN HD2+ 6.00 (# 996:17 Unique 2.26, 3.93 A)
&rst
ixpk= 996, nxpk= 17, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 565, 566,
&end
#
# 41 GLN HG+ 41 GLN HE2+ 6.00 (# 997:17 Unique 2.12, 3.27 A)
&rst
ixpk= 997, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 584, 585,
igr2= 589, 590,
&end
#
# 41 GLN HG- 41 GLN HE2+ 4.50 (# 998:17 Unique 2.12, 3.27 A)
&rst
ixpk= 998, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 584, 585,
igr2= 589, 590,
&end
#
# 41 GLN HG+ 41 GLN HE2- 6.00 (# 999:17 Unique 2.12, 3.27 A)
&rst
ixpk= 999, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 584, 585,
igr2= 589, 590,
&end
#
# 41 GLN HG- 41 GLN HE2- 6.00 (# 1000:17 Unique 2.12, 3.27 A)
&rst
ixpk= 1000, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 584, 585,
igr2= 589, 590,
&end
#
# 0 AMB 17-2:1001 41 GLN HE2- 6.00 (# 1001:17 Single Ambig)
&rst
ixpk= 1001, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 595, 596, 572, 573,
igr2= 589, 590,
&end
#
# 38 GLU HB+ 41 GLN HE2+ 6.00 (# 1002:17 Unique 3.75, 9.97 A)
&rst
ixpk= 1002, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 545, 546,
igr2= 589, 590,
&end
#
# 63 GLU HG+ 60 ASN HD2+ 6.00 (# 1003:17 Unique 1.95, 3.11 A)
&rst
ixpk= 1003, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 926, 927,
igr2= 889, 890,
&end
#
# 40 GLY HA+ 41 GLN HE2- 6.00 (# 1004:17 Unique 3.90, 5.98 A)
&rst
ixpk= 1004, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 572, 573,
igr2= 589, 590,
&end
#
# 40 GLY HA+ 41 GLN HE2+ 6.00 (# 1007:17 Unique 3.90, 5.98 A)
&rst
ixpk= 1007, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 572, 573,
igr2= 589, 590,
&end
#
# 60 ASN HB- 60 ASN HD2- 4.50 (# 1008:17 Unique 2.28, 3.35 A)
&rst
ixpk= 1008, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 884, 885,
igr2= 889, 890,
&end
#
# 60 ASN HB+ 60 ASN HD2- 4.50 (# 1009:17 Unique 2.28, 3.35 A)
&rst
ixpk= 1009, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 884, 885,
igr2= 889, 890,
&end
#
# 60 ASN HB- 60 ASN HD2+ 4.50 (# 1010:17 Unique 2.28, 3.35 A)
&rst
ixpk= 1010, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 884, 885,
igr2= 889, 890,
&end
#
# 60 ASN HB+ 60 ASN HD2+ 4.50 (# 1011:17 Unique 2.28, 3.35 A)
&rst
ixpk= 1011, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 884, 885,
igr2= 889, 890,
&end
#
# 62 ALA MB 60 ASN HD2+ 6.00 (# 1012:17 Unique 2.67, 4.56 A)
&rst
ixpk= 1012, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 913, 914, 915,
igr2= 889, 890,
&end
#
# 62 ALA MB 60 ASN HD2- 6.00 (# 1013:17 Unique 2.67, 4.56 A)
&rst
ixpk= 1013, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 913, 914, 915,
igr2= 889, 890,
&end
#
# 61 GLU HN 60 ASN HD2- 6.00 (# 1016:17 Unique 4.26, 5.00 A)
&rst
ixpk= 1016, nxpk= 17, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 889, 890,
&end
#
# 60 ASN HN 60 ASN HD2+ 6.00 (# 1017:17 Unique 2.21, 2.58 A)
&rst
ixpk= 1017, nxpk= 17, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 889, 890,
&end
#
# 63 GLU HG- 60 ASN HD2- 6.00 (# 1018:17 Unique 1.95, 3.11 A)
&rst
ixpk= 1018, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 926, 927,
igr2= 889, 890,
&end
#
# 63 GLU HG- 60 ASN HD2+ 6.00 (# 1019:17 Unique 1.95, 3.11 A)
&rst
ixpk= 1019, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 926, 927,
igr2= 889, 890,
&end
#
# 72 GLN HG+ 72 GLN HE2+ 3.50 (# 1020:17 Unique 2.12, 3.20 A)
&rst
ixpk= 1020, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1061,1062,
igr2=1066,1067,
&end
#
# 72 GLN HG+ 72 GLN HE2- 4.50 (# 1021:17 Unique 2.12, 3.20 A)
&rst
ixpk= 1021, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1061,1062,
igr2=1066,1067,
&end
#
# 0 AMB 17-2:1022 0 AMB 17-1:1022 6.00 (# 1022:17 Double Ambig)
&rst
ixpk= 1022, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
igr2=1066,1067,1066,1067,
&end
#
# 0 AMB 17-2:1023 72 GLN HE2- 6.00 (# 1023:17 Single Ambig)
&rst
ixpk= 1023, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
1049,1050,
igr2=1066,1067,
&end
#
# 73 ASN HB- 73 ASN HD2+ 4.50 (# 1024:17 Unique 2.11, 3.30 A)
&rst
ixpk= 1024, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1075,1076,
igr2=1080,1081,
&end
#
# 73 ASN HB- 73 ASN HD2- 6.00 (# 1025:17 Unique 2.11, 3.30 A)
&rst
ixpk= 1025, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1075,1076,
igr2=1080,1081,
&end
#
# 0 AMB 17-2:1026 0 AMB 17-1:1026 6.00 (# 1026:17 Double Ambig)
&rst
ixpk= 1026, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1058,1059,1058,1059,
igr2=1080,1081,1080,1081,
&end
#
# 70 ALA HA 73 ASN HD2+ 6.00 (# 1027:17 Unique 2.25, 3.98 A)
&rst
ixpk= 1027, nxpk= 17, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1080,1081,
&end
#
# 70 ALA HA 73 ASN HD2- 6.00 (# 1028:17 Unique 2.25, 3.98 A)
&rst
ixpk= 1028, nxpk= 17, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1080,1081,
&end
#
# 70 ALA MB 73 ASN HD2+ 6.00 (# 1029:17 Unique 3.87, 6.43 A)
&rst
ixpk= 1029, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1029,1030,1031,
igr2=1080,1081,
&end
#
# 0 AMB 17-2:1030 73 ASN HD2- 6.00 (# 1030:17 Single Ambig)
&rst
ixpk= 1030, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1058,1059,1058,1059,
igr2=1080,1081,
&end
#
# 73 ASN HA 73 ASN HD2+ 6.00 (# 1031:17 Unique 2.62, 3.88 A)
&rst
ixpk= 1031, nxpk= 17, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1080,1081,
&end
#
# 0 AMB 17-2:1033 0 AMB 17-1:1033 3.50 (# 1033:17 Double Ambig)
&rst
ixpk= 1033, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 659, 660, 662, 663, 662, 663,
igr2= 667, 668, 667, 668, 667, 668,
&end
#
# 0 AMB 17-2:1034 0 AMB 17-1:1034 6.00 (# 1034:17 Double Ambig)
&rst
ixpk= 1034, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 615, 616, 851, 852, 853, 855, 856, 857,
igr2= 667, 668, 667, 668,
&end
#
# 0 AMB 17-2:1035 46 GLN HE2- 6.00 (# 1035:17 Single Ambig)
&rst
ixpk= 1035, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 615, 616, 851, 852, 853, 855, 856, 857,
igr2= 667, 668,
&end
#
# 0 AMB 17-2:1036 46 GLN HE2- 4.50 (# 1036:17 Single Ambig)
&rst
ixpk= 1036, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 659, 660, 662, 663, 662, 663,
igr2= 667, 668,
&end
#
# 37 ASP HB- 46 GLN HE2- 6.00 (# 1037:17 Unique 2.17, 4.01 A)
&rst
ixpk= 1037, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 667, 668,
&end
#
# 43 ARG HA 46 GLN HE2+ 6.00 (# 1038:17 Unique 1.99, 3.39 A)
&rst
ixpk= 1038, nxpk= 17, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 667, 668,
&end
#
# 0 AMB 17-2:1039 0 AMB 17-1:1039 6.00 (# 1039:17 Double Ambig)
&rst
ixpk= 1039, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 531, 657,
igr2= 667, 668, 667, 668,
&end
#
# 43 ARG HA 46 GLN HE2- 6.00 (# 1040:17 Unique 1.99, 3.39 A)
&rst
ixpk= 1040, nxpk= 17, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 667, 668,
&end
#
# 0 AMB 17-2:1041 46 GLN HE2- 6.00 (# 1041:17 Single Ambig)
&rst
ixpk= 1041, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 531, 657,
igr2= 667, 668,
&end
#
# 37 ASP HB+ 46 GLN HE2- 6.00 (# 1042:17 Unique 2.17, 4.01 A)
&rst
ixpk= 1042, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 667, 668,
&end
#
# 37 ASP HB+ 46 GLN HE2+ 6.00 (# 1043:17 Unique 2.17, 4.01 A)
&rst
ixpk= 1043, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 667, 668,
&end
#
# 37 ASP HB- 46 GLN HE2+ 6.00 (# 1044:17 Unique 2.17, 4.01 A)
&rst
ixpk= 1044, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 667, 668,
&end
#
# 46 GLN HB- 46 GLN HE2+ 6.00 (# 1045:17 Unique 1.95, 3.53 A)
&rst
ixpk= 1045, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 659, 660,
igr2= 667, 668,
&end
#
# 46 GLN HB- 46 GLN HE2- 6.00 (# 1046:17 Unique 1.95, 3.53 A)
&rst
ixpk= 1046, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 659, 660,
igr2= 667, 668,
&end
#
# 43 ARG HG+ 46 GLN HE2- 6.00 (# 1048:17 Unique 2.65, 4.93 A)
&rst
ixpk= 1048, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 615, 616,
igr2= 667, 668,
&end
#
# 54 PHE HA 54 PHE HN 4.50 (# 1049:17 Unique 2.89, 2.90 A)
&rst
ixpk= 1049, nxpk= 17, iat= 789, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 GLY HA- 54 PHE HN 6.00 (# 1050:17 Unique 2.76, 3.23 A)
&rst
ixpk= 1050, nxpk= 17, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 782, 783,
&end
#
# 54 PHE HB+ 54 PHE HN 4.50 (# 1051:17 Unique 2.65, 3.39 A)
&rst
ixpk= 1051, nxpk= 17, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 791, 792,
&end
#
# 54 PHE HB- 54 PHE HN 4.50 (# 1052:17 Unique 2.65, 3.39 A)
&rst
ixpk= 1052, nxpk= 17, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 791, 792,
&end
#
# 54 PHE HD 54 PHE HN 4.50 (# 1053:17 Unique 2.15, 4.04 A)
&rst
ixpk= 1053, nxpk= 17, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 795, 803,
&end
#
# 51 HIS HN 54 PHE HN 6.00 (# 1054:17 Unique 3.40, 3.95 A)
&rst
ixpk= 1054, nxpk= 17, iat= 747, 787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 VAL MGX 54 PHE HN 6.00 (# 1055:17 Unique 5.05, 7.85 A)
&rst
ixpk= 1055, nxpk= 17, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 737, 738, 739, 741, 742, 743,
&end
#
# 0 AMB 17-2:1056 0 AMB 17-1:1056 6.00 (# 1056:17 Double Ambig)
&rst
ixpk= 1056, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1058,1059,1058,1059,
igr2=1066,1067,1066,1067,
&end
#
# 0 AMB 17-2:1057 72 GLN HE2- 6.00 (# 1057:17 Single Ambig)
&rst
ixpk= 1057, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1058,1059,1058,1059,
igr2=1066,1067,
&end
#
# 9 ILE HN 8 GLN HE2+ 6.00 (# 1058:17 Unique 4.83, 5.67 A)
&rst
ixpk= 1058, nxpk= 17, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 107, 108,
&end
#
# 43 ARG HD+ 43 ARG HE 6.00 (# 1059:17 Unique 2.27, 2.66 A)
&rst
ixpk= 1059, nxpk= 17, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 618, 619,
&end
#
# 43 ARG HD- 43 ARG HE 4.50 (# 1060:17 Unique 2.27, 2.66 A)
&rst
ixpk= 1060, nxpk= 17, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 618, 619,
&end
#
# 33 VAL HB 43 ARG HE 6.00 (# 1061:17 Unique 2.94, 4.53 A)
&rst
ixpk= 1061, nxpk= 17, iat= 488, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 ARG HB+ 43 ARG HE 6.00 (# 1062:17 Unique 2.13, 3.98 A)
&rst
ixpk= 1062, nxpk= 17, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 612, 613,
&end
#
# 43 ARG HG+ 43 ARG HE 6.00 (# 1063:17 Unique 2.11, 3.17 A)
&rst
ixpk= 1063, nxpk= 17, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 615, 616,
&end
#
# 0 AMB 17-2:1064 43 ARG HE 6.00 (# 1064:17 Single Ambig)
&rst
ixpk= 1064, nxpk= 17, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 851, 852, 853, 855, 856, 857, 615, 616, 612, 613,
&end
#
# 33 VAL MGX 43 ARG HE 6.00 (# 1065:17 Unique 2.53, 5.86 A)
&rst
ixpk= 1065, nxpk= 17, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491, 492, 494, 495, 496,
&end
#
# 35 SER HA 43 ARG HE 6.00 (# 1066:17 Unique 1.94, 3.95 A)
&rst
ixpk= 1066, nxpk= 17, iat= 509, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY HA+ 43 ARG HE 6.00 (# 1067:17 Unique 4.44, 6.91 A)
&rst
ixpk= 1067, nxpk= 17, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 502, 503,
&end
#
# 0 AMB 17-2:1070 65 ARG HE 6.00 (# 1070:17 Single Ambig)
&rst
ixpk= 1070, nxpk= 17, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 954, 955, 954, 955,
&end
#
# 65 ARG HG+ 65 ARG HE 6.00 (# 1071:17 Unique 2.13, 2.96 A)
&rst
ixpk= 1071, nxpk= 17, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 951, 952,
&end
#
# 61 GLU HB+ 65 ARG HE 6.00 (# 1072:17 Unique 3.40, 6.93 A)
&rst
ixpk= 1072, nxpk= 17, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 898, 899,
&end
#
# 0 AMB 17-2:1073 10 ARG HE 6.00 (# 1073:17 Single Ambig)
&rst
ixpk= 1073, nxpk= 17, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 138, 139, 138, 139,
&end
#
# 10 ARG HD- 10 ARG HE 6.00 (# 1075:17 Unique 2.28, 2.73 A)
&rst
ixpk= 1075, nxpk= 17, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 141, 142,
&end
#
# 26 ARG HD+ 26 ARG HE 6.00 (# 1077:17 Unique 2.28, 2.72 A)
&rst
ixpk= 1077, nxpk= 17, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 378, 379,
&end
#
# 26 ARG HB+ 26 ARG HE 6.00 (# 1078:17 Unique 1.99, 3.50 A)
&rst
ixpk= 1078, nxpk= 17, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 372, 373,
&end
#
# 24 ILE MG2 26 ARG HE 6.00 (# 1079:17 Unique 3.12, 5.21 A)
&rst
ixpk= 1079, nxpk= 17, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 338, 339, 340,
&end
#
# 21 VAL HB 26 ARG HE 6.00 (# 1080:17 Unique 4.43, 6.20 A)
&rst
ixpk= 1080, nxpk= 17, iat= 302, 381, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ASP HB+ 70 ALA HN 4.50 (# 1082:17 Unique 2.60, 3.30 A)
&rst
ixpk= 1082, nxpk= 17, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1017,1018,
&end
#
# 8 GLN HG+ 9 ILE HN 6.00 (# 1083:17 Unique 2.87, 3.05 A)
&rst
ixpk= 1083, nxpk= 17, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 9 ILE HN 10 ARG HN 6.00 (# 1084:17 Unique 3.01, 3.03 A)
&rst
ixpk= 1084, nxpk= 17, iat= 112, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:1085 47 TRP HE1 6.00 (# 1085:17 Single Ambig)
&rst
ixpk= 1085, nxpk= 17, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 938, 939, 940, 122, 123,
&end
#
# 8 GLN HG+ 47 TRP HE1 6.00 (# 1086:17 Unique 2.26, 3.12 A)
&rst
ixpk= 1086, nxpk= 17, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 8 GLN HA 47 TRP HE1 6.00 (# 1087:17 Unique 3.75, 3.96 A)
&rst
ixpk= 1087, nxpk= 17, iat= 97, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 GLN HB- 20 ASP HN 6.00 (# 1088:17 Unique 3.20, 3.60 A)
&rst
ixpk= 1088, nxpk= 17, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 99, 100,
&end
#
# 45 GLY HN 9 ILE HN 6.00 (# 1089:17 Unique 5.58, 5.71 A)
&rst
ixpk= 1089, nxpk= 17, iat= 648, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 VAL HN 9 ILE HN 6.00 (# 1090:17 Unique 4.14, 4.38 A)
&rst
ixpk= 1090, nxpk= 17, iat= 696, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ARG HN 9 ILE HN 6.00 (# 1091:17 Unique 3.01, 3.03 A)
&rst
ixpk= 1091, nxpk= 17, iat= 131, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 GLN HE2- 30 LEU HN 6.00 (# 1092:17 Unique 5.12, 6.54 A)
&rst
ixpk= 1092, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 233, 234,
&end
#
# 0 AMB 17-2:1093 30 LEU HN 6.00 (# 1093:17 Single Ambig)
&rst
ixpk= 1093, nxpk= 17, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 420, 500,
&end
#
# 29 ASP HB- 29 ASP HN 3.50 (# 1094:17 Unique 2.10, 2.64 A)
&rst
ixpk= 1094, nxpk= 17, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 424, 425,
&end
#
# 27 ASP HB- 0 AMB 17-1:1095 6.00 (# 1095:17 Single Ambig)
&rst
ixpk= 1095, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 396, 397,
igr2= 238, 270,
&end
#
# 26 ARG HD+ 26 ARG HN 6.00 (# 1096:17 Unique 3.67, 4.26 A)
&rst
ixpk= 1096, nxpk= 17, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 378, 379,
&end
#
# 50 VAL HA 50 VAL HN 3.50 (# 1098:17 Unique 2.87, 2.91 A)
&rst
ixpk= 1098, nxpk= 17, iat= 733, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 ASP HA 0 AMB 17-1:1099 6.00 (# 1099:17 Single Ambig)
&rst
ixpk= 1099, nxpk= 17, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 238, 368,
&end
#
# 16 GLN HN 17 ALA HN 6.00 (# 1100:17 Unique 4.31, 4.46 A)
&rst
ixpk= 1100, nxpk= 17, iat= 221, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:1102 0 AMB 17-1:1102 6.00 (# 1102:17 Double Ambig)
&rst
ixpk= 1102, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 351, 286,
igr2= 368, 270,
&end
#
# 21 VAL HN 26 ARG HN 4.50 (# 1103:17 Unique 3.29, 3.39 A)
&rst
ixpk= 1103, nxpk= 17, iat= 298, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 GLY HN 52 VAL HN 6.00 (# 1105:17 Unique 2.81, 2.89 A)
&rst
ixpk= 1105, nxpk= 17, iat= 780, 764, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ASP HN 28 VAL HN 6.00 (# 1106:17 Unique 4.26, 4.47 A)
&rst
ixpk= 1106, nxpk= 17, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ASP HN 28 VAL HN 6.00 (# 1107:17 Unique 4.26, 4.32 A)
&rst
ixpk= 1107, nxpk= 17, iat= 420, 404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ASP HB+ 55 ALA HN 6.00 (# 1109:17 Unique 3.61, 4.53 A)
&rst
ixpk= 1109, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 424, 425,
&end
#
# 0 AMB 17-2:1110 55 ALA HN 6.00 (# 1110:17 Single Ambig)
&rst
ixpk= 1110, nxpk= 17, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 436, 437, 408,
&end
#
# 47 TRP HA 8 GLN HN 6.00 (# 1111:17 Unique 4.83, 4.98 A)
&rst
ixpk= 1111, nxpk= 17, iat= 674, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:1112 47 TRP HN 6.00 (# 1112:17 Single Ambig)
&rst
ixpk= 1112, nxpk= 17, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 874, 875, 876, 702, 703, 704, 706, 707, 708, 721,
722, 723, 725, 726, 727,
&end
#
# 60 ASN HA 47 TRP HN 6.00 (# 1113:17 Unique 2.38, 2.54 A)
&rst
ixpk= 1113, nxpk= 17, iat= 882, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 TRP HE3 47 TRP HN 6.00 (# 1114:17 Unique 5.73, 5.77 A)
&rst
ixpk= 1114, nxpk= 17, iat= 691, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 ASN HA 41 GLN HN 6.00 (# 1117:17 Unique 4.43, 4.57 A)
&rst
ixpk= 1117, nxpk= 17, iat= 558, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 PRO HD+ 41 GLN HN 6.00 (# 1118:17 Unique 4.73, 4.91 A)
&rst
ixpk= 1118, nxpk= 17, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 595, 596,
&end
#
# 18 LYS HN 12 ILE HN 6.00 (# 1119:17 Unique 4.52, 4.61 A)
&rst
ixpk= 1119, nxpk= 17, iat= 248, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 ASP HB- 12 ILE HN 6.00 (# 1120:17 Unique 4.77, 5.62 A)
&rst
ixpk= 1120, nxpk= 17, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 192, 193,
&end
#
# 63 GLU HN 61 GLU HN 6.00 (# 1121:17 Unique 4.48, 4.61 A)
&rst
ixpk= 1121, nxpk= 17, iat= 919, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 55 ALA HN 54 PHE HN 6.00 (# 1122:17 Unique 4.32, 4.35 A)
&rst
ixpk= 1122, nxpk= 17, iat= 807, 787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 GLY HN 54 PHE HN 4.50 (# 1123:17 Unique 1.83, 1.89 A)
&rst
ixpk= 1123, nxpk= 17, iat= 780, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 PHE HD 76 ASP HN 6.00 (# 1125:17 Unique 2.37, 4.76 A)
&rst
ixpk= 1125, nxpk= 17, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1110,1118,
&end
#
# 0 AMB 17-2:1126 76 ASP HN 4.50 (# 1126:17 Single Ambig)
&rst
ixpk= 1126, nxpk= 17, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
1145,1146,
&end
#
# 89 GLU HN 88 GLU HN 4.50 (# 1127:17 Unique 2.40, 3.68 A)
&rst
ixpk= 1127, nxpk= 17, iat=1305,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 LYS HD- 18 LYS HN 4.50 (# 1128:17 Unique 4.40, 5.26 A)
&rst
ixpk= 1128, nxpk= 17, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 258, 259,
&end
#
# 74 MET HA 75 PHE HN 3.50 (# 1129:17 Unique 3.32, 3.43 A)
&rst
ixpk= 1129, nxpk= 17, iat=1087,1102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 17-2:1130 75 PHE HN 4.50 (# 1130:17 Single Ambig)
&rst
ixpk= 1130, nxpk= 17, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1089,1090,1089,1090,
&end
#
# 68 LEU HN 66 ASP HN 4.50 (# 1131:17 Unique 3.71, 3.92 A)
&rst
ixpk= 1131, nxpk= 17, iat= 994, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ARG HN 44 VAL HN 6.00 (# 1132:17 Unique 2.32, 2.44 A)
&rst
ixpk= 1132, nxpk= 17, iat= 608, 632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 GLY HN 44 VAL HN 6.00 (# 1133:17 Unique 2.85, 2.88 A)
&rst
ixpk= 1133, nxpk= 17, iat= 648, 632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ASP HB- 69 ASP HN 3.50 (# 1134:17 Unique 2.22, 2.61 A)
&rst
ixpk= 1134, nxpk= 17, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1017,1018,
&end
#
# 47 TRP HA 0 AMB 17-1:1135 6.00 (# 1135:17 Single Ambig)
&rst
ixpk= 1135, nxpk= 17, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 655, 712,
&end
#
# 46 GLN HB- 46 GLN HN 2.80 (# 1136:17 Unique 2.09, 2.81 A)
&rst
ixpk= 1136, nxpk= 17, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 659, 660,
&end
#
# 74 MET HA 74 MET HN 3.50 (# 1137:17 Unique 2.78, 2.88 A)
&rst
ixpk= 1137, nxpk= 17, iat=1087,1085, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 VAL HN 49 LEU HN 6.00 (# 1138:17 Unique 5.44, 5.66 A)
&rst
ixpk= 1138, nxpk= 17, iat= 845, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 VAL HN 49 LEU HN 6.00 (# 1139:17 Unique 4.61, 4.63 A)
&rst
ixpk= 1139, nxpk= 17, iat= 731, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 73 ASN HB+ 74 MET HN 6.00 (# 1140:17 Unique 2.95, 3.40 A)
&rst
ixpk= 1140, nxpk= 17, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1075,1076,
&end
#
# 57 SER HB+ 49 LEU HN 6.00 (# 1142:17 Unique 4.20, 4.85 A)
&rst
ixpk= 1142, nxpk= 17, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 838, 839,
&end
#
# 78 GLU HB+ 80 ASP HN 4.50 (# 1143:17 Unique 2.36, 4.71 A)
&rst
ixpk= 1143, nxpk= 17, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1154,1155,
&end
#
# 81 VAL HN 80 ASP HN 4.50 (# 1144:17 Unique 2.27, 2.74 A)
&rst
ixpk= 1144, nxpk= 17, iat=1191,1179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 GLU HN 37 ASP HN 6.00 (# 1145:17 Unique 4.45, 4.61 A)
&rst
ixpk= 1145, nxpk= 17, iat= 541, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HA 16 GLN HN 6.00 (# 1147:17 Unique 4.95, 5.06 A)
&rst
ixpk= 1147, nxpk= 17, iat= 240, 221, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLY HN 16 GLN HN 6.00 (# 1148:17 Unique 4.56, 4.80 A)
&rst
ixpk= 1148, nxpk= 17, iat= 200, 221, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 ASN HD2+ 60 ASN HN 6.00 (# 1149:17 Unique 2.21, 2.58 A)
&rst
ixpk= 1149, nxpk= 17, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 889, 890,
&end
#
# 60 ASN HD2- 60 ASN HN 6.00 (# 1150:17 Unique 2.21, 2.58 A)
&rst
ixpk= 1150, nxpk= 17, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 889, 890,
&end
#
# 63 GLU HN 60 ASN HN 6.00 (# 1151:17 Unique 3.33, 3.49 A)
&rst
ixpk= 1151, nxpk= 17, iat= 919, 880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 ALA HN 60 ASN HN 6.00 (# 1152:17 Unique 4.12, 4.22 A)
&rst
ixpk= 1152, nxpk= 17, iat= 909, 880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 GLY HN 5 VAL HN 6.00 (# 1153:17 Unique 1.89, 3.00 A)
&rst
ixpk= 1153, nxpk= 17, iat= 51, 58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 VAL HA 84 LEU HN 6.00 (# 1154:17 Unique 2.96, 3.43 A)
&rst
ixpk= 1154, nxpk= 17, iat=1193,1224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:1155 84 LEU HN 4.50 (# 1155:17 Single Ambig)
&rst
ixpk= 1155, nxpk= 17, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1214,1243,
&end
#
# 3 ILE HG1- 5 VAL HN 6.00 (# 1157:17 Unique 1.91, 4.55 A)
&rst
ixpk= 1157, nxpk= 17, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 42, 43,
&end
#
# 66 ASP HN 67 THR HN 3.50 (# 1158:17 Unique 2.34, 2.49 A)
&rst
ixpk= 1158, nxpk= 17, iat= 968, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 ALA HN 67 THR HN 6.00 (# 1159:17 Unique 4.47, 4.67 A)
&rst
ixpk= 1159, nxpk= 17, iat=1025, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 ARG HA 67 THR HN 6.00 (# 1162:17 Unique 3.88, 4.14 A)
&rst
ixpk= 1162, nxpk= 17, iat= 946, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PRO HG+ 67 THR HN 6.00 (# 1163:17 Unique 3.76, 4.41 A)
&rst
ixpk= 1163, nxpk= 17, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 78, 79,
&end
#
# 68 LEU MDY 67 THR HN 6.00 (# 1164:17 Unique 4.48, 6.51 A)
&rst
ixpk= 1164, nxpk= 17, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1003,1004,1005,1007,1008,1009,
&end
#
# 0 AMB 17-2:1165 72 GLN HN 6.00 (# 1165:17 Single Ambig)
&rst
ixpk= 1165, nxpk= 17, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1073,1104,
&end
#
# 70 ALA HN 72 GLN HN 6.00 (# 1166:17 Unique 3.70, 3.88 A)
&rst
ixpk= 1166, nxpk= 17, iat=1025,1054, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ASP HB- 65 ARG HN 6.00 (# 1167:17 Unique 4.47, 5.01 A)
&rst
ixpk= 1167, nxpk= 17, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 972, 973,
&end
#
# 61 GLU HA 65 ARG HN 6.00 (# 1168:17 Unique 4.07, 4.44 A)
&rst
ixpk= 1168, nxpk= 17, iat= 896, 944, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ASP HA 65 ARG HN 6.00 (# 1169:17 Unique 5.14, 5.26 A)
&rst
ixpk= 1169, nxpk= 17, iat= 970, 944, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 LEU MDX 65 ARG HN 4.50 (# 1170:17 Unique 3.61, 6.16 A)
&rst
ixpk= 1170, nxpk= 17, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1003,1004,1005,1007,1008,1009,
&end
#
# 0 AMB 17-2:1171 65 ARG HN 6.00 (# 1171:17 Single Ambig)
&rst
ixpk= 1171, nxpk= 17, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 913, 914, 915, 871, 872,
&end
#
# 74 MET HG- 73 ASN HN 6.00 (# 1172:17 Unique 3.96, 6.31 A)
&rst
ixpk= 1172, nxpk= 17, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1092,1093,
&end
#
# 73 ASN HB+ 73 ASN HN 4.50 (# 1174:17 Unique 2.14, 2.90 A)
&rst
ixpk= 1174, nxpk= 17, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1075,1076,
&end
#
# 9 ILE HG1- 45 GLY HN 6.00 (# 1176:17 Unique 6.06, 6.96 A)
&rst
ixpk= 1176, nxpk= 17, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 122, 123,
&end
#
# 0 AMB 17-2:1177 45 GLY HN 6.00 (# 1177:17 Single Ambig)
&rst
ixpk= 1177, nxpk= 17, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 659, 660, 662, 663,
&end
#
# 8 GLN HE2+ 45 GLY HN 6.00 (# 1178:17 Unique 4.77, 5.82 A)
&rst
ixpk= 1178, nxpk= 17, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 107, 108,
&end
#
# 37 ASP HB+ 39 ASN HD2+ 6.00 (# 1179:17 Unique 3.16, 6.70 A)
&rst
ixpk= 1179, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 565, 566,
&end
#
# 0 AMB 17-2:1181 39 ASN HD2- 6.00 (# 1181:17 Single Ambig)
&rst
ixpk= 1181, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 548, 549, 548, 549,
igr2= 565, 566,
&end
#
# 65 ARG HB+ 65 ARG HE 6.00 (# 1182:17 Unique 2.64, 3.93 A)
&rst
ixpk= 1182, nxpk= 17, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 948, 949,
&end
#
# 43 ARG HN 43 ARG HE 6.00 (# 1184:17 Unique 4.61, 5.31 A)
&rst
ixpk= 1184, nxpk= 17, iat= 608, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ASP HA 73 ASN HD2+ 6.00 (# 1186:17 Unique 3.84, 5.13 A)
&rst
ixpk= 1186, nxpk= 17, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1080,1081,
&end
#
# 69 ASP HA 73 ASN HD2- 6.00 (# 1187:17 Unique 3.84, 5.13 A)
&rst
ixpk= 1187, nxpk= 17, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1080,1081,
&end
#
# 72 GLN HG+ 73 ASN HD2+ 6.00 (# 1188:17 Unique 2.37, 6.47 A)
&rst
ixpk= 1188, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1061,1062,
igr2=1080,1081,
&end
#
# 72 GLN HG+ 73 ASN HD2- 6.00 (# 1189:17 Unique 2.37, 6.47 A)
&rst
ixpk= 1189, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1061,1062,
igr2=1080,1081,
&end
#
# 70 ALA MB 73 ASN HD2- 6.00 (# 1191:17 Unique 3.87, 6.43 A)
&rst
ixpk= 1191, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1029,1030,1031,
igr2=1080,1081,
&end
#
# 0 AMB 17-2:1192 26 ARG HE 6.00 (# 1192:17 Single Ambig)
&rst
ixpk= 1192, nxpk= 17, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 375, 376, 375, 376,
&end
#
# 26 ARG HB- 26 ARG HE 6.00 (# 1193:17 Unique 1.99, 3.50 A)
&rst
ixpk= 1193, nxpk= 17, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 372, 373,
&end
#
# 62 ALA HN 60 ASN HD2- 6.00 (# 1195:17 Unique 3.07, 4.03 A)
&rst
ixpk= 1195, nxpk= 17, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 889, 890,
&end
#
# 62 ALA HN 60 ASN HD2+ 6.00 (# 1196:17 Unique 3.07, 4.03 A)
&rst
ixpk= 1196, nxpk= 17, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 889, 890,
&end
#
# 63 GLU HG+ 60 ASN HD2+ 6.00 (# 1197:17 Unique 1.95, 3.11 A)
&rst
ixpk= 1197, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 926, 927,
igr2= 889, 890,
&end
#
# 63 GLU HB- 60 ASN HD2+ 6.00 (# 1198:17 Unique 2.62, 4.14 A)
&rst
ixpk= 1198, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 923, 924,
igr2= 889, 890,
&end
#
# 15 ASN HN 15 ASN HD2+ 6.00 (# 1200:17 Unique 4.66, 4.97 A)
&rst
ixpk= 1200, nxpk= 17, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 216, 217,
&end
#
# 0 AMB 17-2:1201 0 AMB 17-1:1201 6.00 (# 1201:17 Double Ambig)
&rst
ixpk= 1201, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 595, 596, 572, 573,
igr2= 589, 590, 589, 590,
&end
#
# 39 ASN HB- 41 GLN HE2+ 6.00 (# 1202:17 Unique 1.92, 5.06 A)
&rst
ixpk= 1202, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 560, 561,
igr2= 589, 590,
&end
#
# 45 GLY HN 8 GLN HE2+ 6.00 (# 1204:17 Unique 4.77, 5.82 A)
&rst
ixpk= 1204, nxpk= 17, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 107, 108,
&end
#
# 8 GLN HA 8 GLN HE2+ 6.00 (# 1205:17 Unique 4.68, 5.31 A)
&rst
ixpk= 1205, nxpk= 17, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 107, 108,
&end
#
# 8 GLN HA 8 GLN HE2- 6.00 (# 1206:17 Unique 4.68, 5.31 A)
&rst
ixpk= 1206, nxpk= 17, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 107, 108,
&end
#
# 68 LEU HB- 72 GLN HE2- 6.00 (# 1207:17 Unique 2.48, 6.08 A)
&rst
ixpk= 1207, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 998, 999,
igr2=1066,1067,
&end
#
# 18 LYS HB- 25 GLN HE2- 6.00 (# 1208:17 Unique 3.02, 4.21 A)
&rst
ixpk= 1208, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 252, 253,
igr2= 363, 364,
&end
#
# 18 LYS HB- 25 GLN HE2+ 6.00 (# 1209:17 Unique 3.02, 4.21 A)
&rst
ixpk= 1209, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 252, 253,
igr2= 363, 364,
&end
#
# 11 THR MG2 25 GLN HE2+ 6.00 (# 1210:17 Unique 3.48, 5.07 A)
&rst
ixpk= 1210, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 161, 162, 163,
igr2= 363, 364,
&end
#
# 11 THR MG2 25 GLN HE2- 6.00 (# 1211:17 Unique 3.48, 5.07 A)
&rst
ixpk= 1211, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 161, 162, 163,
igr2= 363, 364,
&end
#
# 10 ARG HD- 25 GLN HE2+ 6.00 (# 1212:17 Unique 5.54, 7.37 A)
&rst
ixpk= 1212, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 141, 142,
igr2= 363, 364,
&end
#
# 0 AMB 17-2:1213 0 AMB 17-1:1213 6.00 (# 1213:17 Double Ambig)
&rst
ixpk= 1213, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 261, 262, 261, 262,
igr2= 363, 364, 363, 364,
&end
#
# 0 AMB 17-2:1214 25 GLN HE2- 6.00 (# 1214:17 Single Ambig)
&rst
ixpk= 1214, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 261, 262, 261, 262,
igr2= 363, 364,
&end
#
# 10 ARG HD- 25 GLN HE2- 6.00 (# 1215:17 Unique 5.54, 7.37 A)
&rst
ixpk= 1215, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 141, 142,
igr2= 363, 364,
&end
#
# 10 ARG HD+ 25 GLN HE2- 6.00 (# 1216:17 Unique 5.54, 7.37 A)
&rst
ixpk= 1216, nxpk= 17, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 141, 142,
igr2= 363, 364,
&end
#
# 20 ASP HA 25 GLN HE2- 6.00 (# 1217:17 Unique 4.87, 5.33 A)
&rst
ixpk= 1217, nxpk= 17, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 25 GLN HA 25 GLN HE2- 6.00 (# 1218:17 Unique 4.55, 5.14 A)
&rst
ixpk= 1218, nxpk= 17, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 18 LYS HA 25 GLN HE2- 6.00 (# 1219:17 Unique 5.51, 6.25 A)
&rst
ixpk= 1219, nxpk= 17, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 18 LYS HA 25 GLN HE2+ 6.00 (# 1220:17 Unique 5.51, 6.25 A)
&rst
ixpk= 1220, nxpk= 17, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 20 ASP HA 25 GLN HE2+ 6.00 (# 1221:17 Unique 4.87, 5.33 A)
&rst
ixpk= 1221, nxpk= 17, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 25 GLN HA 25 GLN HE2+ 6.00 (# 1222:17 Unique 4.55, 5.14 A)
&rst
ixpk= 1222, nxpk= 17, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 59 ILE HG1- 48 VAL HN 6.00 (# 1223:17 Unique 3.91, 4.37 A)
&rst
ixpk= 1223, nxpk= 17, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 871, 872,
&end
#
# 8 GLN HN 48 VAL HN 6.00 (# 1224:17 Unique 5.00, 5.13 A)
&rst
ixpk= 1224, nxpk= 17, iat= 95, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 VAL HN 46 GLN HE2+ 6.00 (# 1225:17 Unique 4.77, 6.36 A)
&rst
ixpk= 1225, nxpk= 17, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 667, 668,
&end
#
# 44 VAL HN 46 GLN HE2- 6.00 (# 1226:17 Unique 4.77, 6.36 A)
&rst
ixpk= 1226, nxpk= 17, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 667, 668,
&end
#
# 46 GLN HN 46 GLN HE2+ 6.00 (# 1227:17 Unique 2.44, 4.23 A)
&rst
ixpk= 1227, nxpk= 17, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 667, 668,
&end
#
# 37 ASP HN 40 GLY HN 4.50 (# 1228:17 Unique 3.12, 3.70 A)
&rst
ixpk= 1228, nxpk= 17, iat= 529, 570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HN 11 THR HN 6.00 (# 1229:17 Unique 5.28, 5.39 A)
&rst
ixpk= 1229, nxpk= 17, iat= 286, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ARG HD+ 11 THR HN 6.00 (# 1231:17 Unique 5.41, 5.78 A)
&rst
ixpk= 1231, nxpk= 17, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 141, 142,
&end
#
# 49 LEU HG 57 SER HN 6.00 (# 1232:17 Unique 4.28, 4.72 A)
&rst
ixpk= 1232, nxpk= 17, iat= 719, 834, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 17-2:1233 57 SER HN 6.00 (# 1233:17 Single Ambig)
&rst
ixpk= 1233, nxpk= 17, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 700, 849,
&end
#
# 62 ALA HA 63 GLU HN 4.50 (# 1234:17 Unique 3.56, 3.57 A)
&rst
ixpk= 1234, nxpk= 17, iat= 911, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:1235 28 VAL HN 6.00 (# 1235:17 Single Ambig)
&rst
ixpk= 1235, nxpk= 17, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 441, 442, 443, 445, 446, 447, 276, 277, 278, 280,
281, 282,
&end
#
# 16 GLN HB+ 28 VAL HN 6.00 (# 1236:17 Unique 3.68, 4.89 A)
&rst
ixpk= 1236, nxpk= 17, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 225, 226,
&end
#
# 49 LEU HB+ 49 LEU HN 4.50 (# 1238:17 Unique 2.23, 3.03 A)
&rst
ixpk= 1238, nxpk= 17, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 716, 717,
&end
#
# 0 AMB 17-2:1239 73 ASN HN 6.00 (# 1239:17 Single Ambig)
&rst
ixpk= 1239, nxpk= 17, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1089,1090,1089,1090,
&end
#
# 0 AMB 17-2:1240 73 ASN HN 6.00 (# 1240:17 Single Ambig)
&rst
ixpk= 1240, nxpk= 17, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1029,1030,1031,1039,1040,
&end
#
# 69 ASP HA 73 ASN HN 6.00 (# 1241:17 Unique 4.12, 4.76 A)
&rst
ixpk= 1241, nxpk= 17, iat=1015,1071, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 MET HN 75 PHE HN 3.50 (# 1242:17 Unique 2.19, 2.38 A)
&rst
ixpk= 1242, nxpk= 17, iat=1085,1102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 GLU HN 75 PHE HN 6.00 (# 1243:17 Unique 4.63, 6.63 A)
&rst
ixpk= 1243, nxpk= 17, iat=1150,1102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 VAL MGY 23 GLY HN 6.00 (# 1244:17 Unique 2.04, 4.11 A)
&rst
ixpk= 1244, nxpk= 17, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 304, 305, 306, 308, 309, 310,
&end
#
# 13 ASP HN 12 ILE HN 4.50 (# 1245:17 Unique 3.96, 4.02 A)
&rst
ixpk= 1245, nxpk= 17, iat= 188, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE HG1+ 64 ALA HN 4.50 (# 1246:17 Unique 3.20, 4.30 A)
&rst
ixpk= 1246, nxpk= 17, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 871, 872,
&end
#
# 78 GLU HN 76 ASP HN 4.50 (# 1247:17 Unique 3.61, 5.57 A)
&rst
ixpk= 1247, nxpk= 17, iat=1150,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 17-2:1248 76 ASP HN 6.00 (# 1248:17 Single Ambig)
&rst
ixpk= 1248, nxpk= 17, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1061,1062,1092,1093,
&end
#
# 73 ASN HB+ 76 ASP HN 6.00 (# 1249:17 Unique 4.82, 5.81 A)
&rst
ixpk= 1249, nxpk= 17, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1075,1076,
&end
#
# 0 AMB 17-2:1250 76 ASP HN 6.00 (# 1250:17 Single Ambig)
&rst
ixpk= 1250, nxpk= 17, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1136,1037,
&end
#
# 76 ASP HB- 76 ASP HN 4.50 (# 1251:17 Unique 2.16, 2.83 A)
&rst
ixpk= 1251, nxpk= 17, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1126,1127,
&end
Contact the webmaster for help, if required. Saturday, May 4, 2024 2:05:28 AM GMT (wattos1)