NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15968 |
1z7t   |
6600 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# 51 VAL HN 48 VAL QG1 5.50 (# 0:25 Preassigned 3.80, 4.92 A)
&rst
ixpk= 0, nxpk= 25, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 724, 725, 726,
&end
#
# 14 VAL HN 13 LYS HA 2.80 (# 1:25 Preassigned 2.38, 2.41 A)
&rst
ixpk= 1, nxpk= 25, iat= 194, 174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 VAL HN 14 VAL HA 4.50 (# 2:25 Preassigned 2.95, 2.95 A)
&rst
ixpk= 2, nxpk= 25, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 VAL HN 55 GLU HG+ 4.50 (# 3:25 Preassigned 2.07, 2.87 A)
&rst
ixpk= 3, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 860, 861,
&end
#
# 14 VAL HN 14 VAL HB 4.50 (# 4:25 Preassigned 2.74, 2.78 A)
&rst
ixpk= 4, nxpk= 25, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 VAL HN 55 GLU HG- 4.50 (# 5:25 Preassigned 2.07, 2.87 A)
&rst
ixpk= 5, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 860, 861,
&end
#
# 14 VAL HN 55 GLU QB 5.50 (# 6:25 Preassigned 4.00, 4.98 A)
&rst
ixpk= 6, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 857, 858,
&end
#
# 14 VAL HN 55 GLU QB 5.50 (# 7:25 Preassigned 4.00, 4.98 A)
&rst
ixpk= 7, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 857, 858,
&end
#
# 14 VAL HN 13 LYS HD+ 5.50 (# 8:25 Preassigned 3.69, 4.66 A)
&rst
ixpk= 8, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 182, 183,
&end
#
# 14 VAL HN 13 LYS HB3 5.50 (# 9:25 Preassigned 2.42, 2.50 A)
&rst
ixpk= 9, nxpk= 25, iat= 194, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HN 13 LYS HB2 5.50 (# 10:25 Preassigned 3.71, 3.77 A)
&rst
ixpk= 10, nxpk= 25, iat= 194, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HN 14 VAL QG2 4.50 (# 12:25 Preassigned 3.08, 3.89 A)
&rst
ixpk= 12, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 204, 205, 206,
&end
#
# 38 ILE HN 38 ILE HA 4.50 (# 13:25 Preassigned 2.96, 2.97 A)
&rst
ixpk= 13, nxpk= 25, iat= 567, 569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 ILE HN 30 ILE HA 5.50 (# 14:25 Preassigned 4.38, 4.43 A)
&rst
ixpk= 14, nxpk= 25, iat= 567, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HN 49 LYS HA 4.50 (# 15:25 Preassigned 2.89, 2.93 A)
&rst
ixpk= 15, nxpk= 25, iat= 734, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LYS HN 48 VAL HA 2.80 (# 16:25 Preassigned 2.15, 2.17 A)
&rst
ixpk= 16, nxpk= 25, iat= 734, 720, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 ILE HN 38 ILE HB 4.50 (# 17:25 Preassigned 2.64, 2.72 A)
&rst
ixpk= 17, nxpk= 25, iat= 567, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 ILE HN 37 GLU HB2 5.50 (# 18:25 Preassigned 3.98, 4.03 A)
&rst
ixpk= 18, nxpk= 25, iat= 567, 556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ILE HN 37 GLU HB3 5.50 (# 19:25 Preassigned 2.92, 3.01 A)
&rst
ixpk= 19, nxpk= 25, iat= 567, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HN 49 LYS HB2 4.50 (# 20:25 Preassigned 2.48, 2.64 A)
&rst
ixpk= 20, nxpk= 25, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LYS HN 49 LYS HB3 4.50 (# 21:25 Preassigned 2.29, 2.45 A)
&rst
ixpk= 21, nxpk= 25, iat= 734, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:22 0 AMB 25-1:22 4.50 (# 22:25 Double Ambig)
&rst
ixpk= 22, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 567, 734,
igr2= 577, 578,1047,
&end
#
# 49 LYS HN 49 LYS HG- 5.50 (# 23:25 Preassigned 4.31, 4.49 A)
&rst
ixpk= 23, nxpk= 25, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 741, 742,
&end
#
# 38 ILE HN 38 ILE HG1- 5.50 (# 24:25 Preassigned 3.56, 4.02 A)
&rst
ixpk= 24, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 577, 578,
&end
#
# 38 ILE HN 30 ILE QG2 4.50 (# 25:25 Preassigned 2.89, 3.57 A)
&rst
ixpk= 25, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 438, 439, 440,
&end
#
# 49 LYS HN 48 VAL QG2 5.50 (# 26:25 Preassigned 4.53, 5.21 A)
&rst
ixpk= 26, nxpk= 25, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 728, 729, 730,
&end
#
# 38 ILE HN 38 ILE QG2 5.50 (# 27:25 Preassigned 4.39, 4.71 A)
&rst
ixpk= 27, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 573, 574, 575,
&end
#
# 38 ILE HN 38 ILE QD1 5.50 (# 28:25 Preassigned 2.45, 3.49 A)
&rst
ixpk= 28, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 580, 581, 582,
&end
#
# 49 LYS HN 48 VAL QG1 4.50 (# 29:25 Preassigned 3.43, 4.11 A)
&rst
ixpk= 29, nxpk= 25, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 724, 725, 726,
&end
#
# 49 LYS HN 68 LEU QD2 4.50 (# 30:25 Preassigned 2.92, 4.12 A)
&rst
ixpk= 30, nxpk= 25, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1053,1054,1055,
&end
#
# 32 GLU HN 31 LEU HB3 5.50 (# 31:25 Preassigned 4.26, 4.34 A)
&rst
ixpk= 31, nxpk= 25, iat= 470, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HN 31 LEU HG 5.50 (# 32:25 Preassigned 4.65, 4.76 A)
&rst
ixpk= 32, nxpk= 25, iat= 470, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HN 11 LEU HA 5.50 (# 33:25 Preassigned 3.21, 3.56 A)
&rst
ixpk= 33, nxpk= 25, iat= 470, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HN 12 TRP HB2 5.50 (# 34:25 Preassigned 2.95, 3.08 A)
&rst
ixpk= 34, nxpk= 25, iat= 470, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HN 32 GLU HB3 4.50 (# 35:25 Preassigned 2.45, 2.48 A)
&rst
ixpk= 35, nxpk= 25, iat= 470, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 LEU HN 68 LEU HB3 5.50 (# 36:25 Preassigned 3.65, 3.72 A)
&rst
ixpk= 36, nxpk= 25, iat=1040,1045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HN 32 GLU HB2 4.50 (# 37:25 Preassigned 2.87, 2.93 A)
&rst
ixpk= 37, nxpk= 25, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HN 31 LEU HB2 5.50 (# 38:25 Preassigned 4.17, 4.23 A)
&rst
ixpk= 38, nxpk= 25, iat= 470, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HN 0 AMB 25-1:40 4.50 (# 40:25 Single Ambig)
&rst
ixpk= 40, nxpk= 25, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 68 LEU HN 68 LEU QD1 5.50 (# 41:25 Preassigned 4.09, 4.95 A)
&rst
ixpk= 41, nxpk= 25, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1049,1050,1051,
&end
#
# 68 LEU HN 68 LEU QD2 5.50 (# 42:25 Preassigned 3.89, 4.79 A)
&rst
ixpk= 42, nxpk= 25, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1053,1054,1055,
&end
#
# 34 MET HN 34 MET HA 4.50 (# 43:25 Preassigned 2.26, 2.27 A)
&rst
ixpk= 43, nxpk= 25, iat= 496, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 MET HN 34 MET HG+ 5.50 (# 44:25 Preassigned 2.53, 3.52 A)
&rst
ixpk= 44, nxpk= 25, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 503, 504,
&end
#
# 34 MET HN 34 MET HG- 5.50 (# 45:25 Preassigned 2.53, 3.52 A)
&rst
ixpk= 45, nxpk= 25, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 503, 504,
&end
#
# 0 AMB 25-3:46 0 AMB 25-1:46 2.80 (# 46:25 Double Ambig)
&rst
ixpk= 46, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 868, 275,
igr2= 870, 871, 277, 278,
&end
#
# 6 GLN HN 6 GLN HA 4.50 (# 47:25 Preassigned 2.97, 2.98 A)
&rst
ixpk= 47, nxpk= 25, iat= 64, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 GLN HN 5 ILE HA 2.80 (# 48:25 Preassigned 2.35, 2.37 A)
&rst
ixpk= 48, nxpk= 25, iat= 64, 47, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 GLY HN 56 GLY HA- 3.50 (# 49:25 Preassigned 2.25, 2.58 A)
&rst
ixpk= 49, nxpk= 25, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 870, 871,
&end
#
# 56 GLY HN 55 GLU HA 2.80 (# 50:25 Preassigned 2.13, 2.18 A)
&rst
ixpk= 50, nxpk= 25, iat= 868, 855, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 GLN HN 6 GLN HG+ 5.50 (# 51:25 Preassigned 2.06, 3.29 A)
&rst
ixpk= 51, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 71, 72,
&end
#
# 6 GLN HN 6 GLN HB+ 5.50 (# 52:25 Preassigned 2.49, 3.29 A)
&rst
ixpk= 52, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 68, 69,
&end
#
# 6 GLN HN 6 GLN HG- 5.50 (# 53:25 Preassigned 2.06, 3.29 A)
&rst
ixpk= 53, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 71, 72,
&end
#
# 6 GLN HN 6 GLN HB+ 5.50 (# 54:25 Preassigned 2.49, 3.29 A)
&rst
ixpk= 54, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 68, 69,
&end
#
# 6 GLN HN 6 GLN HB- 4.50 (# 55:25 Preassigned 2.49, 3.29 A)
&rst
ixpk= 55, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 68, 69,
&end
#
# 56 GLY HN 55 GLU QB 4.50 (# 56:25 Preassigned 3.15, 3.70 A)
&rst
ixpk= 56, nxpk= 25, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 857, 858,
&end
#
# 56 GLY HN 11 LEU HB3 5.50 (# 57:25 Preassigned 3.08, 3.32 A)
&rst
ixpk= 57, nxpk= 25, iat= 868, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLY HN 11 LEU HB2 5.50 (# 58:25 Preassigned 3.07, 4.62 A)
&rst
ixpk= 58, nxpk= 25, iat= 868, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLN HN 5 ILE QG2 4.50 (# 59:25 Preassigned 2.28, 2.99 A)
&rst
ixpk= 59, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:60 0 AMB 25-1:60 5.50 (# 60:25 Double Ambig)
&rst
ixpk= 60, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 64, 868,
igr2= 458, 138, 139, 140, 142, 143, 144,
&end
#
# 31 LEU HN 30 ILE HA 2.80 (# 61:25 Preassigned 2.19, 2.22 A)
&rst
ixpk= 61, nxpk= 25, iat= 451, 434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 GLY HN 49 LYS HA 5.50 (# 62:25 Preassigned 3.77, 3.92 A)
&rst
ixpk= 62, nxpk= 25, iat= 275, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HN 18 ALA HA 2.80 (# 63:25 Preassigned 2.19, 2.21 A)
&rst
ixpk= 63, nxpk= 25, iat= 275, 267, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 GLY HN 19 GLY HA- 2.80 (# 64:25 Preassigned 2.29, 2.63 A)
&rst
ixpk= 64, nxpk= 25, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 277, 278,
&end
#
# 19 GLY HN 48 VAL HB 4.50 (# 65:25 Preassigned 2.76, 2.95 A)
&rst
ixpk= 65, nxpk= 25, iat= 275, 722, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HN 38 ILE HB 5.50 (# 66:25 Preassigned 3.60, 3.73 A)
&rst
ixpk= 66, nxpk= 25, iat= 451, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HN 31 LEU HB3 4.50 (# 67:25 Preassigned 2.33, 2.36 A)
&rst
ixpk= 67, nxpk= 25, iat= 451, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HN 29 ALA QB 5.50 (# 68:25 Preassigned 5.50, 6.20 A)
&rst
ixpk= 68, nxpk= 25, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 426, 427, 428,
&end
#
# 31 LEU HN 40 ILE HG1+ 5.50 (# 69:25 Preassigned 2.88, 3.55 A)
&rst
ixpk= 69, nxpk= 25, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 610, 611,
&end
#
# 31 LEU HN 40 ILE HG1+ 5.50 (# 70:25 Preassigned 2.88, 3.55 A)
&rst
ixpk= 70, nxpk= 25, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 610, 611,
&end
#
# 31 LEU HN 31 LEU HB2 4.50 (# 71:25 Preassigned 2.97, 3.02 A)
&rst
ixpk= 71, nxpk= 25, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 GLY HN 18 ALA QB 4.50 (# 72:25 Preassigned 3.18, 3.90 A)
&rst
ixpk= 72, nxpk= 25, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 269, 270, 271,
&end
#
# 31 LEU HN 30 ILE QD1 5.50 (# 73:25 Preassigned 5.51, 6.02 A)
&rst
ixpk= 73, nxpk= 25, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 445, 446, 447,
&end
#
# 31 LEU HN 30 ILE QG2 4.50 (# 74:25 Preassigned 2.60, 3.18 A)
&rst
ixpk= 74, nxpk= 25, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 438, 439, 440,
&end
#
# 19 GLY HN 48 VAL QG2 5.50 (# 75:25 Preassigned 4.97, 5.47 A)
&rst
ixpk= 75, nxpk= 25, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 728, 729, 730,
&end
#
# 31 LEU HN 38 ILE QG2 5.50 (# 76:25 Preassigned 4.72, 5.68 A)
&rst
ixpk= 76, nxpk= 25, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 573, 574, 575,
&end
#
# 19 GLY HN 51 VAL QG2 7.00 (# 77:25 Preassigned 5.47, 6.35 A)
&rst
ixpk= 77, nxpk= 25, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 781, 782, 783,
&end
#
# 0 AMB 25-3:78 39 ILE QD1 4.50 (# 78:25 Single Ambig)
&rst
ixpk= 78, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 64, 451,
igr2= 613, 614, 615,
&end
#
# 0 AMB 25-3:79 0 AMB 25-1:79 4.50 (# 79:25 Double Ambig)
&rst
ixpk= 79, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 275, 64,
igr2= 705, 706, 707, 606, 607, 608,
&end
#
# 19 GLY HN 48 VAL QG1 4.50 (# 80:25 Preassigned 3.53, 4.59 A)
&rst
ixpk= 80, nxpk= 25, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 724, 725, 726,
&end
#
# 31 LEU HN 31 LEU HG 5.50 (# 81:25 Preassigned 4.65, 4.69 A)
&rst
ixpk= 81, nxpk= 25, iat= 451, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:82 0 AMB 25-1:82 5.50 (# 82:25 Double Ambig)
&rst
ixpk= 82, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 451, 64,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 460, 461, 462, 464, 465, 466,
&end
#
# 28 VAL HN 27 GLU HB+ 5.50 (# 83:25 Preassigned 2.99, 4.14 A)
&rst
ixpk= 83, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 395, 396,
&end
#
# 28 VAL HN 27 GLU HG+ 5.50 (# 84:25 Preassigned 2.65, 3.09 A)
&rst
ixpk= 84, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 398, 399,
&end
#
# 28 VAL HN 41 VAL QG2 5.50 (# 85:25 Preassigned 5.88, 6.38 A)
&rst
ixpk= 85, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 28 VAL HN 27 GLU HA 2.80 (# 86:25 Preassigned 2.12, 2.17 A)
&rst
ixpk= 86, nxpk= 25, iat= 406, 393, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 VAL HN 50 GLU HA 2.80 (# 87:25 Preassigned 2.22, 2.40 A)
&rst
ixpk= 87, nxpk= 25, iat= 771, 758, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 VAL HN 51 VAL HA 4.50 (# 88:25 Preassigned 2.95, 2.98 A)
&rst
ixpk= 88, nxpk= 25, iat= 771, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL HN 27 GLU HG- 5.50 (# 89:25 Preassigned 2.65, 3.09 A)
&rst
ixpk= 89, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 398, 399,
&end
#
# 28 VAL HN 28 VAL HB 5.50 (# 90:25 Preassigned 2.39, 3.20 A)
&rst
ixpk= 90, nxpk= 25, iat= 406, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 VAL HN 50 GLU HG+ 5.50 (# 91:25 Preassigned 1.93, 2.69 A)
&rst
ixpk= 91, nxpk= 25, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 763, 764,
&end
#
# 51 VAL HN 51 VAL HB 3.50 (# 92:25 Preassigned 2.63, 2.72 A)
&rst
ixpk= 92, nxpk= 25, iat= 771, 775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 VAL HN 50 GLU HG- 5.50 (# 93:25 Preassigned 1.93, 2.69 A)
&rst
ixpk= 93, nxpk= 25, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 763, 764,
&end
#
# 51 VAL HN 50 GLU HB2 5.50 (# 94:25 Preassigned 3.98, 4.05 A)
&rst
ixpk= 94, nxpk= 25, iat= 771, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL HN 29 ALA QB 5.50 (# 95:25 Preassigned 4.62, 5.19 A)
&rst
ixpk= 95, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 426, 427, 428,
&end
#
# 51 VAL HN 18 ALA QB 5.50 (# 96:25 Preassigned 3.29, 5.01 A)
&rst
ixpk= 96, nxpk= 25, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 269, 270, 271,
&end
#
# 28 VAL HN 28 VAL QG2 3.50 (# 97:25 Preassigned 2.12, 3.47 A)
&rst
ixpk= 97, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 416, 417, 418,
&end
#
# 51 VAL HN 51 VAL QG2 4.50 (# 98:25 Preassigned 2.25, 3.55 A)
&rst
ixpk= 98, nxpk= 25, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 781, 782, 783,
&end
#
# 28 VAL HN 28 VAL QG1 4.50 (# 99:25 Preassigned 3.16, 4.28 A)
&rst
ixpk= 99, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 412, 413, 414,
&end
#
# 69 SER HN 69 SER HA 4.50 (# 100:25 Preassigned 2.78, 2.85 A)
&rst
ixpk= 100, nxpk= 25, iat=1059,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 SER HN 69 SER QB 3.50 (# 101:25 Preassigned 2.45, 3.03 A)
&rst
ixpk= 101, nxpk= 25, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1063,1064,
&end
#
# 51 VAL HN 50 GLU HB3 5.50 (# 102:25 Preassigned 3.22, 3.68 A)
&rst
ixpk= 102, nxpk= 25, iat= 771, 761, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 VAL HN 50 GLU HB3 5.50 (# 103:25 Preassigned 3.22, 3.68 A)
&rst
ixpk= 103, nxpk= 25, iat= 771, 761, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HN 68 LEU HB3 5.50 (# 104:25 Preassigned 2.20, 2.74 A)
&rst
ixpk= 104, nxpk= 25, iat=1059,1045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HN 47 ILE HB 5.50 (# 105:25 Preassigned 3.23, 3.37 A)
&rst
ixpk= 105, nxpk= 25, iat=1059, 703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HN 68 LEU HB2 4.50 (# 106:25 Preassigned 3.40, 3.85 A)
&rst
ixpk= 106, nxpk= 25, iat=1059,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 SER HN 68 LEU QD1 5.50 (# 108:25 Preassigned 4.48, 5.72 A)
&rst
ixpk= 108, nxpk= 25, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1049,1050,1051,
&end
#
# 69 SER HN 68 LEU QD2 4.50 (# 109:25 Preassigned 3.34, 4.44 A)
&rst
ixpk= 109, nxpk= 25, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1053,1054,1055,
&end
#
# 22 ILE HN 21 GLN HG- 5.50 (# 110:25 Preassigned 2.32, 3.25 A)
&rst
ixpk= 110, nxpk= 25, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 301, 302,
&end
#
# 22 ILE HN 21 GLN HG+ 5.50 (# 111:25 Preassigned 2.32, 3.25 A)
&rst
ixpk= 111, nxpk= 25, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 301, 302,
&end
#
# 0 AMB 25-3:112 20 GLN QB 4.50 (# 112:25 Single Ambig)
&rst
ixpk= 112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 311, 718,
igr2= 298, 299,
&end
#
# 22 ILE HN 22 ILE HB 4.50 (# 113:25 Preassigned 3.86, 3.88 A)
&rst
ixpk= 113, nxpk= 25, iat= 311, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HN 22 ILE HG1+ 4.50 (# 114:25 Preassigned 2.33, 2.91 A)
&rst
ixpk= 114, nxpk= 25, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 22 ILE HN 22 ILE HG1- 4.50 (# 115:25 Preassigned 2.33, 2.91 A)
&rst
ixpk= 115, nxpk= 25, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:116 21 ILE QG2 3.50 (# 116:25 Single Ambig)
&rst
ixpk= 116, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 311, 718,
igr2= 317, 318, 319,
&end
#
# 0 AMB 25-3:117 21 ILE QD1 4.50 (# 117:25 Single Ambig)
&rst
ixpk= 117, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 311, 718,
igr2= 324, 325, 326,
&end
#
# 48 VAL HN 48 VAL HA 4.50 (# 118:25 Preassigned 2.88, 2.90 A)
&rst
ixpk= 118, nxpk= 25, iat= 718, 720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 VAL HN 48 VAL HB 3.50 (# 119:25 Preassigned 2.36, 2.44 A)
&rst
ixpk= 119, nxpk= 25, iat= 718, 722, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 VAL HN 48 VAL QG2 2.80 (# 120:25 Preassigned 2.12, 3.05 A)
&rst
ixpk= 120, nxpk= 25, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 728, 729, 730,
&end
#
# 48 VAL HN 47 ILE QG2 3.50 (# 121:25 Preassigned 2.79, 3.48 A)
&rst
ixpk= 121, nxpk= 25, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 705, 706, 707,
&end
#
# 48 VAL HN 48 VAL QG1 5.50 (# 122:25 Preassigned 4.38, 4.52 A)
&rst
ixpk= 122, nxpk= 25, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 27 GLU HN 27 GLU HA 4.50 (# 123:25 Preassigned 2.82, 2.84 A)
&rst
ixpk= 123, nxpk= 25, iat= 391, 393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 GLY HN 6 GLN HA 4.50 (# 124:25 Preassigned 2.63, 2.87 A)
&rst
ixpk= 124, nxpk= 25, iat= 952, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HN 11 LEU HA 4.50 (# 125:25 Preassigned 2.87, 2.89 A)
&rst
ixpk= 125, nxpk= 25, iat= 129, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HN 26 GLN HA 2.80 (# 126:25 Preassigned 2.21, 2.24 A)
&rst
ixpk= 126, nxpk= 25, iat= 391, 376, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 LYS HN 34 MET HA 4.50 (# 127:25 Preassigned 2.64, 2.81 A)
&rst
ixpk= 127, nxpk= 25, iat= 513, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HN 35 LYS HA 2.80 (# 128:25 Preassigned 2.24, 2.24 A)
&rst
ixpk= 128, nxpk= 25, iat= 513, 515, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 GLY HN 62 GLY HA- 3.50 (# 129:25 Preassigned 2.30, 2.63 A)
&rst
ixpk= 129, nxpk= 25, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 954, 955,
&end
#
# 62 GLY HN 62 GLY HA- 3.50 (# 131:25 Preassigned 2.30, 2.63 A)
&rst
ixpk= 131, nxpk= 25, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 954, 955,
&end
#
# 62 GLY HN 61 GLU HA 2.80 (# 132:25 Preassigned 2.15, 2.17 A)
&rst
ixpk= 132, nxpk= 25, iat= 952, 939, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:133 0 AMB 25-1:133 5.50 (# 133:25 Double Ambig)
&rst
ixpk= 133, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 718, 129, 952,
igr2= 287, 119, 964,
&end
#
# 11 LEU HN 10 ASN HB3 4.50 (# 134:25 Preassigned 3.02, 3.09 A)
&rst
ixpk= 134, nxpk= 25, iat= 129, 120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HN 26 GLN HG- 4.50 (# 135:25 Preassigned 2.53, 3.33 A)
&rst
ixpk= 135, nxpk= 25, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 381, 382,
&end
#
# 27 GLU HN 27 GLU HG- 5.50 (# 136:25 Preassigned 3.59, 4.39 A)
&rst
ixpk= 136, nxpk= 25, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 398, 399,
&end
#
# 27 GLU HN 26 GLN HG+ 5.50 (# 137:25 Preassigned 2.53, 3.33 A)
&rst
ixpk= 137, nxpk= 25, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 381, 382,
&end
#
# 27 GLU HN 27 GLU HB+ 4.50 (# 138:25 Preassigned 2.30, 2.48 A)
&rst
ixpk= 138, nxpk= 25, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 395, 396,
&end
#
# 35 LYS HN 35 LYS HB2 5.50 (# 139:25 Preassigned 3.57, 3.60 A)
&rst
ixpk= 139, nxpk= 25, iat= 513, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY HN 61 GLU HG+ 5.50 (# 140:25 Preassigned 3.34, 3.69 A)
&rst
ixpk= 140, nxpk= 25, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 944, 945,
&end
#
# 27 GLU HN 27 GLU HB- 3.50 (# 141:25 Preassigned 2.30, 2.48 A)
&rst
ixpk= 141, nxpk= 25, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 395, 396,
&end
#
# 27 GLU HN 27 GLU HG+ 5.50 (# 142:25 Preassigned 3.59, 4.39 A)
&rst
ixpk= 142, nxpk= 25, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 398, 399,
&end
#
# 62 GLY HN 61 GLU HG- 5.50 (# 143:25 Preassigned 3.34, 3.69 A)
&rst
ixpk= 143, nxpk= 25, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 944, 945,
&end
#
# 27 GLU HN 26 GLN HB3 5.50 (# 144:25 Preassigned 3.87, 4.07 A)
&rst
ixpk= 144, nxpk= 25, iat= 391, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY HN 61 GLU HB3 5.50 (# 145:25 Preassigned 4.41, 4.48 A)
&rst
ixpk= 145, nxpk= 25, iat= 952, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY HN 61 GLU HB2 5.50 (# 146:25 Preassigned 4.37, 4.43 A)
&rst
ixpk= 146, nxpk= 25, iat= 952, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU HN 11 LEU HB3 4.50 (# 147:25 Preassigned 2.51, 2.71 A)
&rst
ixpk= 147, nxpk= 25, iat= 129, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HN 32 GLU HG+ 5.50 (# 148:25 Preassigned 4.62, 5.32 A)
&rst
ixpk= 148, nxpk= 25, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 477, 478,
&end
#
# 11 LEU HN 11 LEU HB2 4.50 (# 149:25 Preassigned 2.13, 2.34 A)
&rst
ixpk= 149, nxpk= 25, iat= 129, 133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HN 35 LYS HG+ 5.50 (# 150:25 Preassigned 2.79, 3.24 A)
&rst
ixpk= 150, nxpk= 25, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 520, 521,
&end
#
# 0 AMB 25-3:151 4 ILE QG2 5.50 (# 151:25 Single Ambig)
&rst
ixpk= 151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 952, 129,
igr2= 51, 52, 53,
&end
#
# 27 GLU HN 41 VAL QG2 7.00 (# 152:25 Preassigned 6.36, 6.74 A)
&rst
ixpk= 152, nxpk= 25, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 629, 630, 631,
&end
#
# 11 LEU HN 59 VAL QG1 5.50 (# 153:25 Preassigned 3.42, 4.45 A)
&rst
ixpk= 153, nxpk= 25, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 913, 914, 915,
&end
#
# 27 GLU HN 41 VAL QG1 5.50 (# 154:25 Preassigned 3.24, 4.43 A)
&rst
ixpk= 154, nxpk= 25, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 625, 626, 627,
&end
#
# 11 LEU HN 59 VAL QG2 5.50 (# 155:25 Preassigned 2.56, 3.59 A)
&rst
ixpk= 155, nxpk= 25, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 11 LEU HN 11 LEU QD+ 5.50 (# 156:25 Preassigned 3.74, 5.02 A)
&rst
ixpk= 156, nxpk= 25, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU HN 11 LEU QD- 5.50 (# 157:25 Preassigned 3.74, 5.02 A)
&rst
ixpk= 157, nxpk= 25, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU HN 0 AMB 25-1:158 5.50 (# 158:25 Single Ambig)
&rst
ixpk= 158, nxpk= 25, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 11 LEU HN 11 LEU HG 5.50 (# 159:25 Preassigned 2.90, 4.27 A)
&rst
ixpk= 159, nxpk= 25, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 SER HN 3 VAL HA 2.80 (# 160:25 Preassigned 2.17, 2.26 A)
&rst
ixpk= 160, nxpk= 25, iat= 34, 20, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 SER HN 0 AMB 25-1:161 4.50 (# 161:25 Single Ambig)
&rst
ixpk= 161, nxpk= 25, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 38, 39,
&end
#
# 4 SER HN 4 SER HB2 4.50 (# 162:25 Preassigned 2.63, 2.69 A)
&rst
ixpk= 162, nxpk= 25, iat= 34, 38, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 SER HN 3 VAL QG2 4.50 (# 164:25 Preassigned 4.41, 5.05 A)
&rst
ixpk= 164, nxpk= 25, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 28, 29, 30,
&end
#
# 43 ASP HN 42 ALA HA 3.50 (# 165:25 Preassigned 2.19, 2.20 A)
&rst
ixpk= 165, nxpk= 25, iat= 645, 637, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 ASP HN 43 ASP HB2 5.50 (# 166:25 Preassigned 2.52, 2.60 A)
&rst
ixpk= 166, nxpk= 25, iat= 645, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HN 43 ASP HB2 5.50 (# 167:25 Preassigned 2.52, 2.60 A)
&rst
ixpk= 167, nxpk= 25, iat= 645, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HN 43 ASP HB3 5.50 (# 168:25 Preassigned 2.32, 2.41 A)
&rst
ixpk= 168, nxpk= 25, iat= 645, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:169 2 VAL QG1 4.50 (# 169:25 Single Ambig)
&rst
ixpk= 169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 645, 34,
igr2= 24, 25, 26,
&end
#
# 0 AMB 25-3:170 39 ILE QG2 5.50 (# 170:25 Single Ambig)
&rst
ixpk= 170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 432, 645,
igr2= 606, 607, 608,
&end
#
# 30 ILE HN 30 ILE HA 4.50 (# 171:25 Preassigned 2.95, 2.96 A)
&rst
ixpk= 171, nxpk= 25, iat= 432, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLY HN 25 GLY HA+ 4.50 (# 172:25 Preassigned 2.29, 2.62 A)
&rst
ixpk= 172, nxpk= 25, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 369, 370,
&end
#
# 30 ILE HN 14 VAL HA 5.50 (# 173:25 Preassigned 3.65, 3.71 A)
&rst
ixpk= 173, nxpk= 25, iat= 432, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HN 29 ALA HA 2.80 (# 174:25 Preassigned 2.52, 2.56 A)
&rst
ixpk= 174, nxpk= 25, iat= 432, 424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 GLY HN 25 GLY HA- 4.50 (# 175:25 Preassigned 2.29, 2.62 A)
&rst
ixpk= 175, nxpk= 25, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 369, 370,
&end
#
# 25 GLY HN 24 LYS HA 2.80 (# 176:25 Preassigned 2.15, 2.17 A)
&rst
ixpk= 176, nxpk= 25, iat= 367, 347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 ILE HN 30 ILE HB 4.50 (# 177:25 Preassigned 2.68, 2.72 A)
&rst
ixpk= 177, nxpk= 25, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:178 41 ALA QB 4.50 (# 178:25 Single Ambig)
&rst
ixpk= 178, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 367, 645,
igr2= 639, 640, 641,
&end
#
# 25 GLY HN 24 LYS HB2 5.50 (# 179:25 Preassigned 4.26, 4.33 A)
&rst
ixpk= 179, nxpk= 25, iat= 367, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HN 29 ALA QB 3.50 (# 180:25 Preassigned 2.13, 3.04 A)
&rst
ixpk= 180, nxpk= 25, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 426, 427, 428,
&end
#
# 30 ILE HN 30 ILE HG1+ 4.50 (# 181:25 Preassigned 3.29, 3.83 A)
&rst
ixpk= 181, nxpk= 25, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 442, 443,
&end
#
# 30 ILE HN 13 LYS HB3 5.50 (# 182:25 Preassigned 4.81, 4.93 A)
&rst
ixpk= 182, nxpk= 25, iat= 432, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLY HN 24 LYS QG 4.50 (# 183:25 Preassigned 2.88, 3.20 A)
&rst
ixpk= 183, nxpk= 25, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 352, 353,
&end
#
# 30 ILE HN 13 LYS HB2 5.50 (# 184:25 Preassigned 3.76, 3.97 A)
&rst
ixpk= 184, nxpk= 25, iat= 432, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HN 30 ILE HG1- 5.50 (# 185:25 Preassigned 3.29, 3.83 A)
&rst
ixpk= 185, nxpk= 25, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 30 ILE HN 30 ILE QD1 5.50 (# 186:25 Preassigned 4.67, 5.29 A)
&rst
ixpk= 186, nxpk= 25, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 445, 446, 447,
&end
#
# 30 ILE HN 30 ILE QG2 5.50 (# 187:25 Preassigned 4.31, 4.72 A)
&rst
ixpk= 187, nxpk= 25, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 438, 439, 440,
&end
#
# 25 GLY HN 41 VAL QG1 5.50 (# 188:25 Preassigned 5.50, 6.06 A)
&rst
ixpk= 188, nxpk= 25, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 625, 626, 627,
&end
#
# 30 ILE HN 11 LEU QD+ 5.50 (# 189:25 Preassigned 3.29, 5.04 A)
&rst
ixpk= 189, nxpk= 25, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 65 LEU HN 65 LEU HA 4.50 (# 190:25 Preassigned 2.96, 2.98 A)
&rst
ixpk= 190, nxpk= 25, iat= 987, 989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HN 64 VAL HA 2.80 (# 191:25 Preassigned 2.14, 2.20 A)
&rst
ixpk= 191, nxpk= 25, iat= 987, 973, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 65 LEU HN 65 LEU HB3 4.50 (# 192:25 Preassigned 2.35, 2.48 A)
&rst
ixpk= 192, nxpk= 25, iat= 987, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HN 65 LEU HB2 4.50 (# 193:25 Preassigned 2.52, 2.87 A)
&rst
ixpk= 193, nxpk= 25, iat= 987, 991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HN 0 AMB 25-1:194 4.50 (# 194:25 Single Ambig)
&rst
ixpk= 194, nxpk= 25, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 981, 982, 983, 24, 25, 26,
&end
#
# 0 AMB 25-3:195 0 AMB 25-1:195 5.50 (# 195:25 Double Ambig)
&rst
ixpk= 195, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 987, 432,
igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
1001,1002,
&end
#
# 0 AMB 25-3:196 40 VAL QG2 5.50 (# 196:25 Single Ambig)
&rst
ixpk= 196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 367, 645,
igr2= 629, 630, 631,
&end
#
# 65 LEU HN 64 VAL QG1 4.50 (# 197:25 Preassigned 2.42, 3.23 A)
&rst
ixpk= 197, nxpk= 25, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 977, 978, 979,
&end
#
# 65 LEU HN 5 ILE QD1 5.50 (# 198:25 Preassigned 3.28, 5.38 A)
&rst
ixpk= 198, nxpk= 25, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 58, 59, 60,
&end
#
# 0 AMB 25-3:199 64 LEU QD- 5.50 (# 199:25 Single Ambig)
&rst
ixpk= 199, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 987, 432,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 54 LYS HN 54 LYS HA 4.50 (# 201:25 Preassigned 2.89, 2.92 A)
&rst
ixpk= 201, nxpk= 25, iat= 831, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LYS HN 53 LYS HD- 5.50 (# 202:25 Preassigned 3.53, 3.77 A)
&rst
ixpk= 202, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 819, 820,
&end
#
# 54 LYS HN 53 LYS HB3 4.50 (# 203:25 Preassigned 1.98, 2.13 A)
&rst
ixpk= 203, nxpk= 25, iat= 831, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LYS HN 54 LYS QB 4.50 (# 204:25 Preassigned 3.36, 3.68 A)
&rst
ixpk= 204, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 835, 836,
&end
#
# 54 LYS HN 54 LYS QD 5.50 (# 205:25 Preassigned 4.80, 5.06 A)
&rst
ixpk= 205, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 841, 842,
&end
#
# 54 LYS HN 54 LYS HG+ 4.50 (# 206:25 Preassigned 2.52, 2.95 A)
&rst
ixpk= 206, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 838, 839,
&end
#
# 54 LYS HN 53 LYS HB2 5.50 (# 207:25 Preassigned 3.21, 3.38 A)
&rst
ixpk= 207, nxpk= 25, iat= 831, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LYS HN 54 LYS HG- 5.50 (# 208:25 Preassigned 2.52, 2.95 A)
&rst
ixpk= 208, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 838, 839,
&end
#
# 54 LYS HN 14 VAL QG1 5.50 (# 209:25 Preassigned 5.16, 6.56 A)
&rst
ixpk= 209, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 200, 201, 202,
&end
#
# 54 LYS HN 57 ASP HB3 4.50 (# 211:25 Preassigned 2.57, 2.72 A)
&rst
ixpk= 211, nxpk= 25, iat= 831, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LYS HN 57 ASP HB2 5.50 (# 212:25 Preassigned 2.36, 2.86 A)
&rst
ixpk= 212, nxpk= 25, iat= 831, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LYS HN 57 ASP HB2 5.50 (# 213:25 Preassigned 2.36, 2.86 A)
&rst
ixpk= 213, nxpk= 25, iat= 831, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LYS HN 11 LEU QD+ 5.50 (# 215:25 Preassigned 2.91, 5.37 A)
&rst
ixpk= 215, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 54 LYS HN 11 LEU QD- 5.50 (# 216:25 Preassigned 2.91, 5.37 A)
&rst
ixpk= 216, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 17 LYS HN 17 LYS HA 4.50 (# 217:25 Preassigned 2.87, 2.88 A)
&rst
ixpk= 217, nxpk= 25, iat= 243, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 LYS HN 51 VAL HA 2.80 (# 218:25 Preassigned 2.18, 2.23 A)
&rst
ixpk= 218, nxpk= 25, iat= 787, 773, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 LYS HN 52 LYS HA 4.50 (# 219:25 Preassigned 2.96, 2.98 A)
&rst
ixpk= 219, nxpk= 25, iat= 787, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 LYS HN 52 LYS HB3 5.50 (# 220:25 Preassigned 3.62, 3.68 A)
&rst
ixpk= 220, nxpk= 25, iat= 787, 792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LYS HN 17 LYS QB 4.50 (# 221:25 Preassigned 3.47, 3.73 A)
&rst
ixpk= 221, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 247, 248,
&end
#
# 52 LYS HN 52 LYS HB2 4.50 (# 222:25 Preassigned 2.43, 2.52 A)
&rst
ixpk= 222, nxpk= 25, iat= 787, 791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LYS HN 17 LYS QD 5.50 (# 223:25 Preassigned 2.61, 4.94 A)
&rst
ixpk= 223, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 253, 254,
&end
#
# 52 LYS HN 52 LYS QD 5.50 (# 224:25 Preassigned 3.60, 4.27 A)
&rst
ixpk= 224, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 797, 798,
&end
#
# 17 LYS HN 17 LYS HG- 4.50 (# 225:25 Preassigned 2.68, 3.06 A)
&rst
ixpk= 225, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 250, 251,
&end
#
# 52 LYS HN 52 LYS HG- 4.50 (# 226:25 Preassigned 2.45, 3.28 A)
&rst
ixpk= 226, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 794, 795,
&end
#
# 17 LYS HN 17 LYS HG+ 5.50 (# 227:25 Preassigned 2.68, 3.06 A)
&rst
ixpk= 227, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 52 LYS HN 52 LYS HG+ 4.50 (# 228:25 Preassigned 2.45, 3.28 A)
&rst
ixpk= 228, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 794, 795,
&end
#
# 52 LYS HN 51 VAL QG1 4.50 (# 229:25 Preassigned 2.68, 3.44 A)
&rst
ixpk= 229, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 777, 778, 779,
&end
#
# 0 AMB 25-3:230 0 AMB 25-1:230 4.50 (# 230:25 Double Ambig)
&rst
ixpk= 230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 243, 635, 619,
igr2= 233, 234, 235, 24, 25, 26,
&end
#
# 52 LYS HN 65 LEU QD+ 5.50 (# 231:25 Preassigned 3.66, 5.87 A)
&rst
ixpk= 231, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:232 0 AMB 25-1:232 5.50 (# 232:25 Double Ambig)
&rst
ixpk= 232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 787, 243,
igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 0 AMB 25-3:233 50 VAL QG2 4.50 (# 233:25 Single Ambig)
&rst
ixpk= 233, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 243, 787,
igr2= 781, 782, 783,
&end
#
# 0 AMB 25-3:234 15 VAL QG2 4.50 (# 234:25 Single Ambig)
&rst
ixpk= 234, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 243, 787,
igr2= 237, 238, 239,
&end
#
# 17 LYS HN 48 VAL QG1 5.50 (# 235:25 Preassigned 3.10, 4.33 A)
&rst
ixpk= 235, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 0 AMB 25-3:236 26 GLU HA 4.50 (# 236:25 Single Ambig)
&rst
ixpk= 236, nxpk= 25, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 635, 600, 619,
&end
#
# 12 TRP HN 11 LEU HA 2.80 (# 237:25 Preassigned 2.13, 2.27 A)
&rst
ixpk= 237, nxpk= 25, iat= 148, 131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:238 39 ILE HA 2.80 (# 238:25 Single Ambig)
&rst
ixpk= 238, nxpk= 25, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 619, 600,
&end
#
# 42 ALA HN 42 ALA HA 4.50 (# 239:25 Preassigned 2.82, 2.83 A)
&rst
ixpk= 239, nxpk= 25, iat= 635, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 TRP HN 12 TRP HB2 4.50 (# 240:25 Preassigned 2.16, 2.26 A)
&rst
ixpk= 240, nxpk= 25, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 TRP HN 12 TRP HB3 4.50 (# 241:25 Preassigned 2.56, 2.78 A)
&rst
ixpk= 241, nxpk= 25, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ILE HN 39 PRO HB+ 4.50 (# 242:25 Preassigned 2.93, 3.33 A)
&rst
ixpk= 242, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 593, 594,
&end
#
# 0 AMB 25-3:243 40 VAL HB 3.50 (# 243:25 Single Ambig)
&rst
ixpk= 243, nxpk= 25, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 635, 619,
&end
#
# 40 ILE HN 39 PRO HB- 4.50 (# 244:25 Preassigned 2.93, 3.33 A)
&rst
ixpk= 244, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 593, 594,
&end
#
# 40 ILE HN 40 ILE HB 3.50 (# 245:25 Preassigned 2.52, 2.58 A)
&rst
ixpk= 245, nxpk= 25, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 ALA HN 42 ALA QB 3.50 (# 246:25 Preassigned 2.36, 2.82 A)
&rst
ixpk= 246, nxpk= 25, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 639, 640, 641,
&end
#
# 0 AMB 25-3:247 28 ALA QB 5.50 (# 247:25 Single Ambig)
&rst
ixpk= 247, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 600, 148, 619,
igr2= 426, 427, 428,
&end
#
# 40 ILE HN 40 ILE HG1+ 4.50 (# 248:25 Preassigned 2.86, 3.60 A)
&rst
ixpk= 248, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 610, 611,
&end
#
# 40 ILE HN 40 ILE HG1- 4.50 (# 249:25 Preassigned 2.86, 3.60 A)
&rst
ixpk= 249, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 610, 611,
&end
#
# 40 ILE HN 30 ILE QD1 5.50 (# 250:25 Unique 5.67, 6.09 A)
&rst
ixpk= 250, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 445, 446, 447,
&end
#
# 0 AMB 25-3:251 29 ILE QG2 5.50 (# 251:25 Single Ambig)
&rst
ixpk= 251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 148, 600,
igr2= 438, 439, 440,
&end
#
# 42 ALA HN 28 VAL QG2 4.50 (# 252:25 Preassigned 2.34, 3.47 A)
&rst
ixpk= 252, nxpk= 25, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 416, 417, 418,
&end
#
# 40 ILE HN 38 ILE QG2 5.50 (# 253:25 Unique 5.38, 6.59 A)
&rst
ixpk= 253, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 573, 574, 575,
&end
#
# 42 ALA HN 3 VAL QG2 5.50 (# 254:25 Preassigned 5.64, 6.85 A)
&rst
ixpk= 254, nxpk= 25, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 28, 29, 30,
&end
#
# 41 VAL HN 41 VAL QG2 3.50 (# 255:25 Preassigned 2.22, 3.04 A)
&rst
ixpk= 255, nxpk= 25, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 629, 630, 631,
&end
#
# 0 AMB 25-3:256 40 VAL QG1 3.50 (# 256:25 Single Ambig)
&rst
ixpk= 256, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 619, 600, 635,
igr2= 625, 626, 627,
&end
#
# 0 AMB 25-3:257 21 ILE QG2 5.50 (# 257:25 Single Ambig)
&rst
ixpk= 257, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 243, 635,
igr2= 317, 318, 319,
&end
#
# 42 ALA HN 28 VAL QG1 4.50 (# 258:25 Preassigned 3.12, 4.70 A)
&rst
ixpk= 258, nxpk= 25, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 412, 413, 414,
&end
#
# 0 AMB 25-3:259 39 ILE QG2 3.50 (# 259:25 Single Ambig)
&rst
ixpk= 259, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 619, 600,
igr2= 606, 607, 608,
&end
#
# 42 ALA HN 22 ILE QD1 5.50 (# 260:25 Preassigned 4.35, 5.56 A)
&rst
ixpk= 260, nxpk= 25, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 324, 325, 326,
&end
#
# 12 TRP HN 11 LEU QD+ 4.50 (# 261:25 Preassigned 3.08, 5.46 A)
&rst
ixpk= 261, nxpk= 25, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 12 TRP HN 11 LEU QD- 5.50 (# 262:25 Preassigned 3.08, 5.46 A)
&rst
ixpk= 262, nxpk= 25, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 40 ILE HN 30 ILE HA 4.50 (# 263:25 Preassigned 2.82, 2.89 A)
&rst
ixpk= 263, nxpk= 25, iat= 600, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ILE HN 5 ILE HA 4.50 (# 264:25 Preassigned 2.91, 2.93 A)
&rst
ixpk= 264, nxpk= 25, iat= 45, 47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ILE HN 64 VAL HA 5.50 (# 265:25 Preassigned 3.64, 3.75 A)
&rst
ixpk= 265, nxpk= 25, iat= 45, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HN 0 AMB 25-1:266 3.50 (# 266:25 Single Ambig)
&rst
ixpk= 266, nxpk= 25, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 39, 38,
&end
#
# 5 ILE HN 0 AMB 25-1:267 4.50 (# 267:25 Single Ambig)
&rst
ixpk= 267, nxpk= 25, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 39, 38,
&end
#
# 40 ILE HN 27 GLU HG- 5.50 (# 268:25 Preassigned 2.93, 3.81 A)
&rst
ixpk= 268, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 398, 399,
&end
#
# 5 ILE HN 5 ILE HB 3.50 (# 269:25 Preassigned 2.41, 2.49 A)
&rst
ixpk= 269, nxpk= 25, iat= 45, 49, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 ILE HN 30 ILE HG1+ 4.50 (# 270:25 Preassigned 3.61, 3.85 A)
&rst
ixpk= 270, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 442, 443,
&end
#
# 40 ILE HN 30 ILE HG1- 4.50 (# 271:25 Preassigned 3.61, 3.85 A)
&rst
ixpk= 271, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 442, 443,
&end
#
# 5 ILE HN 5 ILE QG2 4.50 (# 272:25 Preassigned 4.36, 4.55 A)
&rst
ixpk= 272, nxpk= 25, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 51, 52, 53,
&end
#
# 5 ILE HN 5 ILE QD1 4.50 (# 273:25 Preassigned 2.05, 3.77 A)
&rst
ixpk= 273, nxpk= 25, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 58, 59, 60,
&end
#
# 58 PHE HN 57 ASP HA 2.80 (# 274:25 Preassigned 2.30, 2.34 A)
&rst
ixpk= 274, nxpk= 25, iat= 887, 877, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 GLN HN 20 ASP HA 2.80 (# 275:25 Preassigned 2.42, 2.49 A)
&rst
ixpk= 275, nxpk= 25, iat= 294, 284, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 ASN HN 9 GLY HA+ 3.50 (# 276:25 Preassigned 2.24, 2.61 A)
&rst
ixpk= 276, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 110, 111,
&end
#
# 10 ASN HN 9 GLY HA- 3.50 (# 277:25 Preassigned 2.24, 2.61 A)
&rst
ixpk= 277, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 110, 111,
&end
#
# 58 PHE HN 58 PHE HB2 3.50 (# 278:25 Preassigned 2.59, 2.68 A)
&rst
ixpk= 278, nxpk= 25, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 PHE HN 58 PHE HB3 3.50 (# 279:25 Preassigned 2.26, 2.34 A)
&rst
ixpk= 279, nxpk= 25, iat= 887, 892, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 PHE HN 57 ASP HB3 5.50 (# 280:25 Preassigned 3.42, 3.65 A)
&rst
ixpk= 280, nxpk= 25, iat= 887, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HN 10 ASN HB2 3.50 (# 281:25 Preassigned 2.62, 2.65 A)
&rst
ixpk= 281, nxpk= 25, iat= 115, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 PHE HN 57 ASP HB2 4.50 (# 282:25 Preassigned 3.87, 3.98 A)
&rst
ixpk= 282, nxpk= 25, iat= 887, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:283 0 AMB 25-1:283 3.50 (# 283:25 Double Ambig)
&rst
ixpk= 283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 115, 294, 907,
igr2= 120, 286,
&end
#
# 21 GLN HN 21 GLN HG- 5.50 (# 284:25 Preassigned 4.32, 4.70 A)
&rst
ixpk= 284, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 301, 302,
&end
#
# 21 GLN HN 21 GLN HG+ 5.50 (# 285:25 Preassigned 4.32, 4.70 A)
&rst
ixpk= 285, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 301, 302,
&end
#
# 10 ASN HN 32 GLU HB3 5.50 (# 286:25 Preassigned 3.28, 3.42 A)
&rst
ixpk= 286, nxpk= 25, iat= 115, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLN HN 21 GLN QB 3.50 (# 287:25 Preassigned 2.44, 2.89 A)
&rst
ixpk= 287, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 298, 299,
&end
#
# 10 ASN HN 0 AMB 25-1:288 4.50 (# 288:25 Single Ambig)
&rst
ixpk= 288, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 0 AMB 25-3:289 7 ALA HA 5.50 (# 289:25 Single Ambig)
&rst
ixpk= 289, nxpk= 25, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 907, 115,
&end
#
# 59 VAL HN 59 VAL HA 4.50 (# 290:25 Preassigned 2.93, 2.93 A)
&rst
ixpk= 290, nxpk= 25, iat= 907, 909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:291 58 VAL HB 5.50 (# 291:25 Single Ambig)
&rst
ixpk= 291, nxpk= 25, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 907, 115,
&end
#
# 0 AMB 25-3:292 58 VAL QG1 4.50 (# 292:25 Single Ambig)
&rst
ixpk= 292, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 907, 887,
igr2= 913, 914, 915,
&end
#
# 0 AMB 25-3:293 58 VAL QG2 3.50 (# 293:25 Single Ambig)
&rst
ixpk= 293, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 907, 115,
igr2= 917, 918, 919,
&end
#
# 33 SER HN 33 SER HB2 4.50 (# 294:25 Preassigned 3.39, 3.44 A)
&rst
ixpk= 294, nxpk= 25, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 SER HN 33 SER HB3 4.50 (# 295:25 Preassigned 3.24, 3.26 A)
&rst
ixpk= 295, nxpk= 25, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:296 0 AMB 25-1:296 5.50 (# 296:25 Double Ambig)
&rst
ixpk= 296, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 485, 265,
igr2= 475, 775,
&end
#
# 33 SER HN 32 GLU HG+ 4.50 (# 297:25 Preassigned 3.09, 3.40 A)
&rst
ixpk= 297, nxpk= 25, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 477, 478,
&end
#
# 33 SER HN 32 GLU HB2 5.50 (# 298:25 Preassigned 4.28, 4.34 A)
&rst
ixpk= 298, nxpk= 25, iat= 485, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 SER HN 38 ILE QD1 5.50 (# 299:25 Preassigned 2.92, 3.44 A)
&rst
ixpk= 299, nxpk= 25, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 580, 581, 582,
&end
#
# 18 ALA HN 17 LYS HA 2.80 (# 300:25 Preassigned 2.44, 2.48 A)
&rst
ixpk= 300, nxpk= 25, iat= 265, 245, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 ALA HN 18 ALA HA 4.50 (# 301:25 Preassigned 2.85, 2.86 A)
&rst
ixpk= 301, nxpk= 25, iat= 265, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ALA HN 17 LYS QB 3.50 (# 302:25 Preassigned 2.53, 3.26 A)
&rst
ixpk= 302, nxpk= 25, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 247, 248,
&end
#
# 18 ALA HN 17 LYS HG- 5.50 (# 303:25 Preassigned 3.79, 4.33 A)
&rst
ixpk= 303, nxpk= 25, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 18 ALA HN 18 ALA QB 2.80 (# 304:25 Preassigned 2.48, 2.90 A)
&rst
ixpk= 304, nxpk= 25, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 269, 270, 271,
&end
#
# 18 ALA HN 17 LYS HG+ 5.50 (# 305:25 Preassigned 3.79, 4.33 A)
&rst
ixpk= 305, nxpk= 25, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 18 ALA HN 51 VAL QG2 4.50 (# 306:25 Preassigned 2.97, 4.02 A)
&rst
ixpk= 306, nxpk= 25, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 781, 782, 783,
&end
#
# 18 ALA HN 48 VAL QG1 4.50 (# 307:25 Preassigned 4.11, 5.02 A)
&rst
ixpk= 307, nxpk= 25, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 724, 725, 726,
&end
#
# 67 GLU HN 51 VAL HA 5.50 (# 308:25 Preassigned 3.26, 3.45 A)
&rst
ixpk= 308, nxpk= 25, iat=1025, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ILE HN 46 GLY HA- 3.50 (# 309:25 Preassigned 2.47, 2.56 A)
&rst
ixpk= 309, nxpk= 25, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 694, 695,
&end
#
# 60 ASN HN 63 ASP HB3 5.50 (# 310:25 Preassigned 1.89, 1.99 A)
&rst
ixpk= 310, nxpk= 25, iat= 923, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HN 63 ASP HB2 5.50 (# 311:25 Preassigned 2.25, 2.33 A)
&rst
ixpk= 311, nxpk= 25, iat= 923, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLU HN 67 GLU HG+ 5.50 (# 312:25 Preassigned 2.42, 4.42 A)
&rst
ixpk= 312, nxpk= 25, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1032,1033,
&end
#
# 67 GLU HN 67 GLU HB2 5.50 (# 313:25 Preassigned 2.47, 3.07 A)
&rst
ixpk= 313, nxpk= 25, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLU HN 67 GLU HB3 4.50 (# 314:25 Preassigned 2.55, 2.80 A)
&rst
ixpk= 314, nxpk= 25, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 GLU HN 66 LEU HB2 5.50 (# 315:25 Preassigned 2.18, 2.28 A)
&rst
ixpk= 315, nxpk= 25, iat=1025,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLU HN 66 LEU HB3 5.50 (# 316:25 Preassigned 3.60, 3.67 A)
&rst
ixpk= 316, nxpk= 25, iat=1025,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLU HN 51 VAL QG1 5.50 (# 317:25 Preassigned 5.24, 6.26 A)
&rst
ixpk= 317, nxpk= 25, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 777, 778, 779,
&end
#
# 47 ILE HN 47 ILE HG1- 5.50 (# 318:25 Preassigned 2.56, 3.33 A)
&rst
ixpk= 318, nxpk= 25, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 709, 710,
&end
#
# 0 AMB 25-3:319 47 VAL QG2 5.50 (# 319:25 Single Ambig)
&rst
ixpk= 319, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1025, 699,
igr2= 728, 729, 730,
&end
#
# 67 GLU HN 66 LEU QD+ 5.50 (# 320:25 Preassigned 2.93, 4.66 A)
&rst
ixpk= 320, nxpk= 25, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 67 GLU HN 66 LEU QD- 5.50 (# 321:25 Preassigned 2.93, 4.66 A)
&rst
ixpk= 321, nxpk= 25, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 47 ILE HN 47 ILE QG2 5.50 (# 322:25 Preassigned 4.22, 4.58 A)
&rst
ixpk= 322, nxpk= 25, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 705, 706, 707,
&end
#
# 0 AMB 25-3:323 7 ALA HA 5.50 (# 323:25 Single Ambig)
&rst
ixpk= 323, nxpk= 25, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 937, 923,
&end
#
# 55 GLU HN 54 LYS HA 2.80 (# 324:25 Preassigned 2.35, 2.45 A)
&rst
ixpk= 324, nxpk= 25, iat= 853, 833, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 ASN HN 59 VAL HA 2.80 (# 325:25 Preassigned 2.37, 2.39 A)
&rst
ixpk= 325, nxpk= 25, iat= 923, 909, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 ILE HN 46 GLY HA+ 3.50 (# 326:25 Preassigned 2.47, 2.56 A)
&rst
ixpk= 326, nxpk= 25, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 694, 695,
&end
#
# 47 ILE HN 69 SER QB 5.50 (# 329:25 Preassigned 2.86, 4.17 A)
&rst
ixpk= 329, nxpk= 25, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1064,
&end
#
# 55 GLU HN 55 GLU HA 4.50 (# 330:25 Preassigned 2.78, 2.82 A)
&rst
ixpk= 330, nxpk= 25, iat= 853, 855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLU HN 61 GLU HA 4.50 (# 331:25 Preassigned 2.85, 2.86 A)
&rst
ixpk= 331, nxpk= 25, iat= 937, 939, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:332 0 AMB 25-1:332 3.50 (# 332:25 Double Ambig)
&rst
ixpk= 332, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 923, 937,
igr2= 927, 928, 927, 928,
&end
#
# 0 AMB 25-3:333 59 ASN HB- 3.50 (# 333:25 Single Ambig)
&rst
ixpk= 333, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 923, 937,
igr2= 927, 928,
&end
#
# 55 GLU HN 55 GLU HG+ 3.50 (# 334:25 Preassigned 2.03, 2.94 A)
&rst
ixpk= 334, nxpk= 25, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 860, 861,
&end
#
# 60 ASN HN 63 ASP HB2 5.50 (# 335:25 Preassigned 2.25, 2.33 A)
&rst
ixpk= 335, nxpk= 25, iat= 923, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLU HN 61 GLU HG+ 4.50 (# 336:25 Preassigned 4.35, 4.42 A)
&rst
ixpk= 336, nxpk= 25, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 944, 945,
&end
#
# 60 ASN HN 59 VAL HB 3.50 (# 337:25 Preassigned 2.39, 2.45 A)
&rst
ixpk= 337, nxpk= 25, iat= 923, 911, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 GLU HN 55 GLU HG- 5.50 (# 338:25 Preassigned 2.03, 2.94 A)
&rst
ixpk= 338, nxpk= 25, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 860, 861,
&end
#
# 0 AMB 25-3:339 0 AMB 25-1:339 2.80 (# 339:25 Double Ambig)
&rst
ixpk= 339, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 937, 853,
igr2= 942, 857, 858,
&end
#
# 61 GLU HN 61 GLU HB2 3.50 (# 340:25 Preassigned 2.46, 2.52 A)
&rst
ixpk= 340, nxpk= 25, iat= 937, 941, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 GLU HN 54 LYS QB 3.50 (# 341:25 Preassigned 2.26, 3.09 A)
&rst
ixpk= 341, nxpk= 25, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 835, 836,
&end
#
# 55 GLU HN 54 LYS QD 5.50 (# 342:25 Preassigned 4.06, 5.05 A)
&rst
ixpk= 342, nxpk= 25, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 841, 842,
&end
#
# 47 ILE HN 47 ILE HB 3.50 (# 343:25 Preassigned 2.36, 2.43 A)
&rst
ixpk= 343, nxpk= 25, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 GLU HN 8 ALA QB 4.50 (# 344:25 Preassigned 3.12, 4.43 A)
&rst
ixpk= 344, nxpk= 25, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 102, 103, 104,
&end
#
# 55 GLU HN 54 LYS HG+ 5.50 (# 345:25 Preassigned 3.34, 4.12 A)
&rst
ixpk= 345, nxpk= 25, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 838, 839,
&end
#
# 55 GLU HN 54 LYS HG- 5.50 (# 346:25 Preassigned 3.34, 4.12 A)
&rst
ixpk= 346, nxpk= 25, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 838, 839,
&end
#
# 0 AMB 25-3:347 4 ILE QG2 5.50 (# 347:25 Single Ambig)
&rst
ixpk= 347, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 937,
igr2= 51, 52, 53,
&end
#
# 60 ASN HN 59 VAL QG1 4.50 (# 348:25 Preassigned 3.54, 4.30 A)
&rst
ixpk= 348, nxpk= 25, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 913, 914, 915,
&end
#
# 60 ASN HN 59 VAL QG2 5.50 (# 349:25 Preassigned 4.07, 4.63 A)
&rst
ixpk= 349, nxpk= 25, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 47 ILE HN 68 LEU QD1 5.50 (# 350:25 Unique 4.20, 5.64 A)
&rst
ixpk= 350, nxpk= 25, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1049,1050,1051,
&end
#
# 55 GLU HN 11 LEU QD- 7.00 (# 351:25 Preassigned 4.60, 7.20 A)
&rst
ixpk= 351, nxpk= 25, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:352 67 LEU QD2 5.50 (# 352:25 Single Ambig)
&rst
ixpk= 352, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 699,1025,
igr2=1053,1054,1055,
&end
#
# 71 SER HN 72 THR QG2 7.00 (# 354:25 Preassigned 4.27, 6.59 A)
&rst
ixpk= 354, nxpk= 25, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1101,1102,1103,
&end
#
# 64 VAL HN 63 ASP HA 2.80 (# 355:25 Preassigned 2.21, 2.24 A)
&rst
ixpk= 355, nxpk= 25, iat= 971, 961, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 VAL HN 64 VAL HA 4.50 (# 356:25 Preassigned 2.82, 2.84 A)
&rst
ixpk= 356, nxpk= 25, iat= 971, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 VAL HN 63 ASP HB3 5.50 (# 358:25 Preassigned 4.00, 4.08 A)
&rst
ixpk= 358, nxpk= 25, iat= 971, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL HN 63 ASP HB2 4.50 (# 359:25 Preassigned 4.31, 4.38 A)
&rst
ixpk= 359, nxpk= 25, iat= 971, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 VAL HN 63 ASP HB2 4.50 (# 360:25 Preassigned 4.31, 4.38 A)
&rst
ixpk= 360, nxpk= 25, iat= 971, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 VAL HN 64 VAL HB 3.50 (# 361:25 Preassigned 2.46, 2.56 A)
&rst
ixpk= 361, nxpk= 25, iat= 971, 975, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 VAL HN 64 VAL QG2 3.50 (# 362:25 Preassigned 1.97, 2.96 A)
&rst
ixpk= 362, nxpk= 25, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 981, 982, 983,
&end
#
# 64 VAL HN 64 VAL QG1 5.50 (# 363:25 Preassigned 4.39, 4.54 A)
&rst
ixpk= 363, nxpk= 25, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 977, 978, 979,
&end
#
# 3 VAL HN 2 THR HB 5.50 (# 364:25 Preassigned 2.20, 3.33 A)
&rst
ixpk= 364, nxpk= 25, iat= 18, 8, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HN 36 MET HA 2.80 (# 365:25 Preassigned 2.44, 2.51 A)
&rst
ixpk= 365, nxpk= 25, iat= 552, 537, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 ASP HN 56 GLY HA+ 4.50 (# 366:25 Preassigned 2.85, 3.39 A)
&rst
ixpk= 366, nxpk= 25, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 870, 871,
&end
#
# 57 ASP HN 56 GLY HA- 5.50 (# 367:25 Preassigned 2.85, 3.39 A)
&rst
ixpk= 367, nxpk= 25, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 870, 871,
&end
#
# 57 ASP HN 55 GLU HA 4.50 (# 368:25 Preassigned 3.52, 3.66 A)
&rst
ixpk= 368, nxpk= 25, iat= 875, 855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASP HN 57 ASP HB3 3.50 (# 369:25 Preassigned 2.57, 2.65 A)
&rst
ixpk= 369, nxpk= 25, iat= 875, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 ASP HN 57 ASP HB2 4.50 (# 370:25 Preassigned 2.30, 2.55 A)
&rst
ixpk= 370, nxpk= 25, iat= 875, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASP HN 57 ASP HB2 4.50 (# 371:25 Preassigned 2.30, 2.55 A)
&rst
ixpk= 371, nxpk= 25, iat= 875, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLU HN 36 MET HG+ 5.50 (# 372:25 Preassigned 3.89, 4.47 A)
&rst
ixpk= 372, nxpk= 25, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 542, 543,
&end
#
# 37 GLU HN 36 MET HG- 5.50 (# 373:25 Preassigned 3.89, 4.47 A)
&rst
ixpk= 373, nxpk= 25, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 542, 543,
&end
#
# 37 GLU HN 36 MET HB2 5.50 (# 374:25 Preassigned 3.47, 3.55 A)
&rst
ixpk= 374, nxpk= 25, iat= 552, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HN 36 MET HB3 4.50 (# 375:25 Preassigned 2.21, 2.27 A)
&rst
ixpk= 375, nxpk= 25, iat= 552, 540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLU HN 37 GLU HG+ 4.50 (# 376:25 Preassigned 3.34, 4.25 A)
&rst
ixpk= 376, nxpk= 25, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 559, 560,
&end
#
# 37 GLU HN 37 GLU HB2 4.50 (# 377:25 Preassigned 2.59, 2.75 A)
&rst
ixpk= 377, nxpk= 25, iat= 552, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLU HN 37 GLU HB3 4.50 (# 378:25 Preassigned 3.73, 3.81 A)
&rst
ixpk= 378, nxpk= 25, iat= 552, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASP HN 11 LEU HB3 5.50 (# 379:25 Preassigned 2.82, 3.08 A)
&rst
ixpk= 379, nxpk= 25, iat= 875, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HN 37 GLU HG- 5.50 (# 380:25 Preassigned 3.34, 4.25 A)
&rst
ixpk= 380, nxpk= 25, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 559, 560,
&end
#
# 57 ASP HN 11 LEU HB2 5.50 (# 381:25 Preassigned 2.56, 4.01 A)
&rst
ixpk= 381, nxpk= 25, iat= 875, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HN 30 ILE QG2 5.50 (# 382:25 Preassigned 5.89, 6.24 A)
&rst
ixpk= 382, nxpk= 25, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 438, 439, 440,
&end
#
# 15 HID HN 14 VAL HA 2.80 (# 385:25 Preassigned 2.23, 2.27 A)
&rst
ixpk= 385, nxpk= 25, iat= 210, 196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 HID HN 29 ALA HA 4.50 (# 386:25 Preassigned 3.03, 3.17 A)
&rst
ixpk= 386, nxpk= 25, iat= 210, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HN 15 HID HB3 4.50 (# 387:25 Preassigned 3.73, 3.76 A)
&rst
ixpk= 387, nxpk= 25, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HN 15 HID HB2 4.50 (# 388:25 Preassigned 2.71, 2.77 A)
&rst
ixpk= 388, nxpk= 25, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HN 29 ALA QB 4.50 (# 389:25 Preassigned 3.52, 4.53 A)
&rst
ixpk= 389, nxpk= 25, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 426, 427, 428,
&end
#
# 15 HID HN 51 VAL QG1 5.50 (# 390:25 Preassigned 5.74, 6.47 A)
&rst
ixpk= 390, nxpk= 25, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 777, 778, 779,
&end
#
# 15 HID HN 16 VAL QG1 4.50 (# 391:25 Preassigned 3.55, 4.80 A)
&rst
ixpk= 391, nxpk= 25, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 233, 234, 235,
&end
#
# 0 AMB 25-3:392 13 VAL QG2 5.50 (# 392:25 Single Ambig)
&rst
ixpk= 392, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 210, 875,
igr2= 204, 205, 206,
&end
#
# 15 HID HN 16 VAL QG2 5.50 (# 393:25 Preassigned 3.03, 4.28 A)
&rst
ixpk= 393, nxpk= 25, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 237, 238, 239,
&end
#
# 26 GLN HN 26 GLN HA 4.50 (# 394:25 Preassigned 2.88, 2.89 A)
&rst
ixpk= 394, nxpk= 25, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 GLN HN 25 GLY HA- 4.50 (# 395:25 Preassigned 3.30, 3.39 A)
&rst
ixpk= 395, nxpk= 25, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 369, 370,
&end
#
# 0 AMB 25-3:396 23 LYS HA 3.50 (# 396:25 Single Ambig)
&rst
ixpk= 396, nxpk= 25, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 345, 374, 681,
&end
#
# 0 AMB 25-3:397 22 GLU HB2 4.50 (# 397:25 Single Ambig)
&rst
ixpk= 397, nxpk= 25, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 345, 692, 374,
&end
#
# 24 LYS HN 24 LYS HB3 2.80 (# 398:25 Preassigned 2.60, 2.64 A)
&rst
ixpk= 398, nxpk= 25, iat= 345, 350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:399 23 LYS QD 5.50 (# 399:25 Single Ambig)
&rst
ixpk= 399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 681, 345,
igr2= 355, 356,
&end
#
# 26 GLN HN 42 ALA QB 4.50 (# 400:25 Preassigned 2.68, 3.77 A)
&rst
ixpk= 400, nxpk= 25, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 639, 640, 641,
&end
#
# 0 AMB 25-3:401 23 LYS HB2 3.50 (# 401:25 Single Ambig)
&rst
ixpk= 401, nxpk= 25, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 345, 681,
&end
#
# 0 AMB 25-3:402 23 LYS QG 4.50 (# 402:25 Single Ambig)
&rst
ixpk= 402, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 345, 681, 374,
igr2= 352, 353,
&end
#
# 0 AMB 25-3:403 23 LYS QG 5.50 (# 403:25 Single Ambig)
&rst
ixpk= 403, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 345, 681, 374,
igr2= 352, 353,
&end
#
# 26 GLN HN 41 VAL QG1 5.50 (# 404:25 Preassigned 5.03, 5.93 A)
&rst
ixpk= 404, nxpk= 25, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 625, 626, 627,
&end
#
# 45 SER HN 44 ARG HA 2.80 (# 405:25 Preassigned 2.34, 2.39 A)
&rst
ixpk= 405, nxpk= 25, iat= 681, 659, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 GLN HN 25 GLY HA+ 4.50 (# 406:25 Preassigned 3.30, 3.39 A)
&rst
ixpk= 406, nxpk= 25, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 369, 370,
&end
#
# 46 GLY HN 46 GLY HA+ 4.50 (# 407:25 Preassigned 2.70, 2.82 A)
&rst
ixpk= 407, nxpk= 25, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 694, 695,
&end
#
# 46 GLY HN 46 GLY HA- 4.50 (# 408:25 Preassigned 2.70, 2.82 A)
&rst
ixpk= 408, nxpk= 25, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 694, 695,
&end
#
# 0 AMB 25-3:409 44 SER HB3 3.50 (# 409:25 Single Ambig)
&rst
ixpk= 409, nxpk= 25, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 692, 345, 681,
&end
#
# 0 AMB 25-3:410 44 SER HB2 3.50 (# 410:25 Single Ambig)
&rst
ixpk= 410, nxpk= 25, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 681, 692,
&end
#
# 45 SER HN 44 ARG QD 5.50 (# 411:25 Preassigned 5.07, 5.67 A)
&rst
ixpk= 411, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 26 GLN HN 26 GLN HG- 5.50 (# 412:25 Preassigned 4.27, 4.46 A)
&rst
ixpk= 412, nxpk= 25, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 381, 382,
&end
#
# 26 GLN HN 26 GLN HB2 3.50 (# 413:25 Preassigned 2.26, 2.42 A)
&rst
ixpk= 413, nxpk= 25, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLN HN 26 GLN HG+ 5.50 (# 415:25 Preassigned 4.27, 4.46 A)
&rst
ixpk= 415, nxpk= 25, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 381, 382,
&end
#
# 26 GLN HN 26 GLN HB3 3.50 (# 416:25 Preassigned 2.47, 2.56 A)
&rst
ixpk= 416, nxpk= 25, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 SER HN 44 ARG HB2 4.50 (# 417:25 Preassigned 2.43, 2.66 A)
&rst
ixpk= 417, nxpk= 25, iat= 681, 661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 SER HN 44 ARG HB3 4.50 (# 418:25 Preassigned 3.76, 3.92 A)
&rst
ixpk= 418, nxpk= 25, iat= 681, 662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 GLY HN 22 ILE HG1+ 4.50 (# 419:25 Preassigned 2.78, 3.04 A)
&rst
ixpk= 419, nxpk= 25, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 46 GLY HN 22 ILE HG1- 4.50 (# 420:25 Preassigned 2.78, 3.04 A)
&rst
ixpk= 420, nxpk= 25, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:421 21 ILE QD1 4.50 (# 421:25 Single Ambig)
&rst
ixpk= 421, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 692, 374, 681,
igr2= 324, 325, 326,
&end
#
# 0 AMB 25-3:422 67 LEU QD1 5.50 (# 422:25 Single Ambig)
&rst
ixpk= 422, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 692, 681,
igr2=1049,1050,1051,
&end
#
# 46 GLY HN 68 LEU QD2 5.50 (# 423:25 Preassigned 3.85, 5.14 A)
&rst
ixpk= 423, nxpk= 25, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1053,1054,1055,
&end
#
# 0 AMB 25-3:424 0 AMB 25-1:424 4.50 (# 424:25 Double Ambig)
&rst
ixpk= 424, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 374, 330, 681, 692,
igr2= 337, 338, 337, 338, 337, 338, 337, 338,
&end
#
# 0 AMB 25-3:425 22 GLU HG- 4.50 (# 425:25 Single Ambig)
&rst
ixpk= 425, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 374, 330, 681, 692,
igr2= 337, 338,
&end
#
# 0 AMB 25-3:426 22 GLU HB3 3.50 (# 426:25 Single Ambig)
&rst
ixpk= 426, nxpk= 25, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 330, 374,
&end
#
# 23 GLU HN 22 ILE HB 3.50 (# 427:25 Preassigned 2.40, 2.48 A)
&rst
ixpk= 427, nxpk= 25, iat= 330, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 GLU HN 22 ILE QG2 4.50 (# 428:25 Preassigned 4.17, 4.70 A)
&rst
ixpk= 428, nxpk= 25, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 317, 318, 319,
&end
#
# 29 ALA HN 27 GLU HA 4.50 (# 429:25 Preassigned 3.64, 3.76 A)
&rst
ixpk= 429, nxpk= 25, iat= 422, 393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ALA HN 29 ALA HA 4.50 (# 430:25 Preassigned 2.88, 2.90 A)
&rst
ixpk= 430, nxpk= 25, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ALA HN 27 GLU HG- 5.50 (# 431:25 Preassigned 3.13, 3.55 A)
&rst
ixpk= 431, nxpk= 25, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 398, 399,
&end
#
# 29 ALA HN 27 GLU HG+ 4.50 (# 432:25 Preassigned 3.13, 3.55 A)
&rst
ixpk= 432, nxpk= 25, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 398, 399,
&end
#
# 29 ALA HN 40 ILE HB 4.50 (# 433:25 Preassigned 2.62, 2.74 A)
&rst
ixpk= 433, nxpk= 25, iat= 422, 604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ALA HN 29 ALA QB 4.50 (# 434:25 Preassigned 2.97, 3.50 A)
&rst
ixpk= 434, nxpk= 25, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 426, 427, 428,
&end
#
# 29 ALA HN 28 VAL QG2 5.50 (# 435:25 Preassigned 2.72, 4.28 A)
&rst
ixpk= 435, nxpk= 25, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 416, 417, 418,
&end
#
# 29 ALA HN 28 VAL QG1 4.50 (# 436:25 Preassigned 3.32, 4.85 A)
&rst
ixpk= 436, nxpk= 25, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 412, 413, 414,
&end
#
# 29 ALA HN 40 ILE QG2 5.50 (# 437:25 Preassigned 3.54, 4.48 A)
&rst
ixpk= 437, nxpk= 25, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 606, 607, 608,
&end
#
# 8 ALA HN 8 ALA HA 4.50 (# 438:25 Preassigned 2.87, 2.93 A)
&rst
ixpk= 438, nxpk= 25, iat= 98, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ALA HN 7 MET HA 2.80 (# 439:25 Preassigned 2.32, 2.38 A)
&rst
ixpk= 439, nxpk= 25, iat= 98, 83, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 8 ALA HN 7 MET QG 4.50 (# 440:25 Preassigned 3.66, 4.38 A)
&rst
ixpk= 440, nxpk= 25, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 88, 89,
&end
#
# 0 AMB 25-3:441 0 AMB 25-1:441 5.50 (# 441:25 Double Ambig)
&rst
ixpk= 441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 959, 98,
igr2= 944, 945, 944, 945,
&end
#
# 0 AMB 25-3:442 60 GLU HG- 5.50 (# 442:25 Single Ambig)
&rst
ixpk= 442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 959, 98,
igr2= 944, 945,
&end
#
# 8 ALA HN 7 MET HB3 4.50 (# 443:25 Preassigned 2.40, 3.56 A)
&rst
ixpk= 443, nxpk= 25, iat= 98, 86, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:444 60 GLU HB3 5.50 (# 444:25 Single Ambig)
&rst
ixpk= 444, nxpk= 25, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 98, 959,
&end
#
# 8 ALA HN 7 MET HB2 4.50 (# 445:25 Preassigned 2.54, 2.80 A)
&rst
ixpk= 445, nxpk= 25, iat= 98, 85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ALA HN 61 GLU HB2 5.50 (# 446:25 Preassigned 3.49, 3.72 A)
&rst
ixpk= 446, nxpk= 25, iat= 98, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ALA HN 8 ALA QB 2.80 (# 447:25 Preassigned 2.44, 2.92 A)
&rst
ixpk= 447, nxpk= 25, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 102, 103, 104,
&end
#
# 73 GLN HN 72 THR HA 4.50 (# 448:25 Preassigned 2.22, 3.06 A)
&rst
ixpk= 448, nxpk= 25, iat=1109,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 GLN HN 72 THR HB 5.50 (# 450:25 Preassigned 2.09, 3.66 A)
&rst
ixpk= 450, nxpk= 25, iat=1109,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 GLN HN 73 GLN HA 5.50 (# 451:25 Preassigned 2.24, 2.85 A)
&rst
ixpk= 451, nxpk= 25, iat=1109,1111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ASP HN 62 GLY HA- 5.50 (# 452:25 Preassigned 3.32, 3.40 A)
&rst
ixpk= 452, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 954, 955,
&end
#
# 0 AMB 25-3:453 60 GLU HA 4.50 (# 453:25 Single Ambig)
&rst
ixpk= 453, nxpk= 25, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 959, 98,
&end
#
# 63 ASP HN 63 ASP HB2 4.50 (# 454:25 Preassigned 2.43, 2.47 A)
&rst
ixpk= 454, nxpk= 25, iat= 959, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 MET HN 0 AMB 25-1:455 5.50 (# 455:25 Single Ambig)
&rst
ixpk= 455, nxpk= 25, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 500, 501, 517,
&end
#
# 63 ASP HN 5 ILE HB 5.50 (# 456:25 Preassigned 3.26, 3.34 A)
&rst
ixpk= 456, nxpk= 25, iat= 959, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:457 4 ILE QG2 5.50 (# 457:25 Single Ambig)
&rst
ixpk= 457, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 959, 98,
igr2= 51, 52, 53,
&end
#
# 36 MET HN 38 ILE QD1 5.50 (# 458:25 Preassigned 3.87, 4.59 A)
&rst
ixpk= 458, nxpk= 25, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 580, 581, 582,
&end
#
# 63 ASP HN 59 VAL QG1 7.00 (# 459:25 Preassigned 5.78, 6.70 A)
&rst
ixpk= 459, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 913, 914, 915,
&end
#
# 36 MET HN 35 LYS HA 4.50 (# 461:25 Preassigned 2.81, 2.86 A)
&rst
ixpk= 461, nxpk= 25, iat= 535, 515, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:462 0 AMB 25-1:462 2.80 (# 462:25 Double Ambig)
&rst
ixpk= 462, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 282, 959,
igr2= 287, 964,
&end
#
# 36 MET HN 36 MET HG+ 4.50 (# 463:25 Preassigned 3.36, 3.87 A)
&rst
ixpk= 463, nxpk= 25, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 542, 543,
&end
#
# 36 MET HN 36 MET HG- 4.50 (# 464:25 Preassigned 3.36, 3.87 A)
&rst
ixpk= 464, nxpk= 25, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 542, 543,
&end
#
# 36 MET HN 36 MET HB2 4.50 (# 465:25 Preassigned 2.63, 2.69 A)
&rst
ixpk= 465, nxpk= 25, iat= 535, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 MET HN 36 MET HB3 4.50 (# 466:25 Preassigned 3.74, 3.79 A)
&rst
ixpk= 466, nxpk= 25, iat= 535, 540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 MET HN 32 GLU HG+ 5.50 (# 467:25 Preassigned 3.89, 4.44 A)
&rst
ixpk= 467, nxpk= 25, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 477, 478,
&end
#
# 20 ASP HN 20 ASP HA 3.50 (# 468:25 Preassigned 2.90, 2.91 A)
&rst
ixpk= 468, nxpk= 25, iat= 282, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ASP HN 19 GLY HA+ 4.50 (# 469:25 Preassigned 3.27, 3.38 A)
&rst
ixpk= 469, nxpk= 25, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 277, 278,
&end
#
# 20 ASP HN 18 ALA HA 4.50 (# 470:25 Preassigned 3.32, 3.41 A)
&rst
ixpk= 470, nxpk= 25, iat= 282, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HN 19 GLY HA- 4.50 (# 471:25 Preassigned 3.27, 3.38 A)
&rst
ixpk= 471, nxpk= 25, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 277, 278,
&end
#
# 60 ASN HD2+ 60 ASN HB+ 4.50 (# 472:25 Preassigned 2.48, 3.47 A)
&rst
ixpk= 472, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 932, 933,
igr2= 927, 928,
&end
#
# 20 ASP HN 20 ASP HB2 4.50 (# 473:25 Preassigned 2.46, 2.51 A)
&rst
ixpk= 473, nxpk= 25, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASN HD2+ 60 ASN HB- 4.50 (# 474:25 Preassigned 2.48, 3.47 A)
&rst
ixpk= 474, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 932, 933,
igr2= 927, 928,
&end
#
# 20 ASP HN 20 ASP HB2 4.50 (# 475:25 Preassigned 2.46, 2.51 A)
&rst
ixpk= 475, nxpk= 25, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HN 48 VAL HB 4.50 (# 476:25 Preassigned 2.40, 2.53 A)
&rst
ixpk= 476, nxpk= 25, iat= 282, 722, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HN 18 ALA QB 5.50 (# 477:25 Preassigned 5.14, 5.37 A)
&rst
ixpk= 477, nxpk= 25, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 269, 270, 271,
&end
#
# 20 ASP HN 48 VAL QG2 5.50 (# 478:25 Preassigned 4.03, 4.55 A)
&rst
ixpk= 478, nxpk= 25, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 728, 729, 730,
&end
#
# 20 ASP HN 47 ILE QG2 5.50 (# 479:25 Preassigned 4.20, 5.14 A)
&rst
ixpk= 479, nxpk= 25, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 705, 706, 707,
&end
#
# 20 ASP HN 48 VAL QG1 5.50 (# 480:25 Preassigned 4.11, 4.73 A)
&rst
ixpk= 480, nxpk= 25, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 9 GLY HN 8 ALA HA 2.80 (# 481:25 Preassigned 2.21, 2.23 A)
&rst
ixpk= 481, nxpk= 25, iat= 108, 100, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 GLY HN 9 GLY HA- 4.50 (# 482:25 Preassigned 2.78, 2.84 A)
&rst
ixpk= 482, nxpk= 25, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 110, 111,
&end
#
# 9 GLY HN 8 ALA QB 4.50 (# 483:25 Preassigned 2.91, 3.84 A)
&rst
ixpk= 483, nxpk= 25, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 102, 103, 104,
&end
#
# 9 GLY HN 59 VAL QG2 4.50 (# 484:25 Preassigned 2.85, 3.99 A)
&rst
ixpk= 484, nxpk= 25, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 917, 918, 919,
&end
#
# 9 GLY HN 31 LEU HG 5.50 (# 485:25 Preassigned 5.38, 5.50 A)
&rst
ixpk= 485, nxpk= 25, iat= 108, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLY HN 0 AMB 25-1:486 5.50 (# 486:25 Single Ambig)
&rst
ixpk= 486, nxpk= 25, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 66 LEU HN 66 LEU HB2 5.50 (# 487:25 Preassigned 4.00, 4.03 A)
&rst
ixpk= 487, nxpk= 25, iat=1006,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HN 65 LEU HB2 5.50 (# 488:25 Preassigned 3.57, 3.84 A)
&rst
ixpk= 488, nxpk= 25, iat=1006, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HN 66 LEU QD+ 5.50 (# 489:25 Preassigned 2.45, 4.54 A)
&rst
ixpk= 489, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 66 LEU HN 65 LEU HA 5.50 (# 490:25 Preassigned 3.65, 3.65 A)
&rst
ixpk= 490, nxpk= 25, iat=1006, 989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HN 64 VAL HA 5.50 (# 491:25 Preassigned 3.87, 4.03 A)
&rst
ixpk= 491, nxpk= 25, iat=1006, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HN 66 LEU HB3 5.50 (# 492:25 Preassigned 3.43, 3.48 A)
&rst
ixpk= 492, nxpk= 25, iat=1006,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HN 65 LEU HB3 4.50 (# 493:25 Preassigned 2.32, 2.51 A)
&rst
ixpk= 493, nxpk= 25, iat=1006, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HN 0 AMB 25-1:494 5.50 (# 494:25 Single Ambig)
&rst
ixpk= 494, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 24, 25, 26, 981, 982, 983,
&end
#
# 66 LEU HN 3 VAL QG2 5.50 (# 495:25 Preassigned 4.60, 5.51 A)
&rst
ixpk= 495, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 28, 29, 30,
&end
#
# 66 LEU HN 65 LEU QD+ 5.50 (# 496:25 Preassigned 3.60, 5.07 A)
&rst
ixpk= 496, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 66 LEU HN 66 LEU QD- 5.50 (# 497:25 Preassigned 2.45, 4.54 A)
&rst
ixpk= 497, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 66 LEU HN 64 VAL QG1 4.50 (# 498:25 Preassigned 2.61, 3.38 A)
&rst
ixpk= 498, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 977, 978, 979,
&end
#
# 66 LEU HN 65 LEU QD- 5.50 (# 499:25 Preassigned 3.60, 5.07 A)
&rst
ixpk= 499, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 13 LYS HN 13 LYS HA 4.50 (# 500:25 Preassigned 2.91, 2.92 A)
&rst
ixpk= 500, nxpk= 25, iat= 172, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HN 11 LEU HA 5.50 (# 501:25 Preassigned 3.96, 4.24 A)
&rst
ixpk= 501, nxpk= 25, iat= 172, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HN 12 TRP HB2 4.50 (# 502:25 Preassigned 3.59, 3.62 A)
&rst
ixpk= 502, nxpk= 25, iat= 172, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HN 12 TRP HB3 4.50 (# 503:25 Preassigned 2.23, 2.27 A)
&rst
ixpk= 503, nxpk= 25, iat= 172, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HN 30 ILE HB 4.50 (# 504:25 Preassigned 2.63, 2.72 A)
&rst
ixpk= 504, nxpk= 25, iat= 172, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HN 29 ALA QB 5.50 (# 505:25 Preassigned 4.07, 5.18 A)
&rst
ixpk= 505, nxpk= 25, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 426, 427, 428,
&end
#
# 13 LYS HN 13 LYS HB3 5.50 (# 506:25 Preassigned 3.84, 3.87 A)
&rst
ixpk= 506, nxpk= 25, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HN 13 LYS HB2 4.50 (# 507:25 Preassigned 2.78, 2.85 A)
&rst
ixpk= 507, nxpk= 25, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HN 30 ILE QD1 5.50 (# 508:25 Preassigned 4.66, 5.61 A)
&rst
ixpk= 508, nxpk= 25, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 445, 446, 447,
&end
#
# 13 LYS HN 30 ILE QG2 5.50 (# 509:25 Preassigned 3.95, 4.69 A)
&rst
ixpk= 509, nxpk= 25, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 438, 439, 440,
&end
#
# 13 LYS HN 14 VAL QG2 5.50 (# 510:25 Preassigned 4.16, 4.99 A)
&rst
ixpk= 510, nxpk= 25, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 204, 205, 206,
&end
#
# 13 LYS HN 11 LEU QD+ 5.50 (# 511:25 Preassigned 3.83, 5.70 A)
&rst
ixpk= 511, nxpk= 25, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 26 GLN HE2+ 26 GLN HG- 4.50 (# 513:25 Preassigned 2.23, 3.34 A)
&rst
ixpk= 513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 386, 387,
igr2= 381, 382,
&end
#
# 26 GLN HE2+ 26 GLN HG+ 4.50 (# 514:25 Preassigned 2.23, 3.34 A)
&rst
ixpk= 514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 386, 387,
igr2= 381, 382,
&end
#
# 26 GLN HE2+ 16 VAL QG1 4.50 (# 515:25 Preassigned 3.69, 4.94 A)
&rst
ixpk= 515, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 386, 387,
igr2= 233, 234, 235,
&end
#
# 26 GLN HE2+ 28 VAL QG2 5.50 (# 516:25 Preassigned 3.00, 5.53 A)
&rst
ixpk= 516, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 386, 387,
igr2= 416, 417, 418,
&end
#
# 26 GLN HE2+ 22 ILE QG2 5.50 (# 517:25 Preassigned 2.26, 4.02 A)
&rst
ixpk= 517, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 386, 387,
igr2= 317, 318, 319,
&end
#
# 0 AMB 25-3:518 21 ILE QD1 5.50 (# 518:25 Single Ambig)
&rst
ixpk= 518, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 657, 386, 387,
igr2= 324, 325, 326,
&end
#
# 44 ARG HN 44 ARG HA 4.50 (# 519:25 Preassigned 2.87, 2.90 A)
&rst
ixpk= 519, nxpk= 25, iat= 657, 659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ARG HN 42 ALA HA 5.50 (# 520:25 Preassigned 3.49, 3.61 A)
&rst
ixpk= 520, nxpk= 25, iat= 657, 637, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ARG HN 24 LYS HA 5.50 (# 521:25 Preassigned 3.41, 3.56 A)
&rst
ixpk= 521, nxpk= 25, iat= 657, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ARG HN 44 ARG QD 5.50 (# 522:25 Preassigned 2.19, 4.84 A)
&rst
ixpk= 522, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 0 AMB 25-3:523 0 AMB 25-1:523 5.50 (# 523:25 Double Ambig)
&rst
ixpk= 523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 161, 220,
igr2= 185, 186, 185, 186,
&end
#
# 0 AMB 25-3:524 12 LYS HE- 5.50 (# 524:25 Single Ambig)
&rst
ixpk= 524, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 161, 220,
igr2= 185, 186,
&end
#
# 44 ARG HN 44 ARG HB2 5.50 (# 525:25 Preassigned 3.93, 3.97 A)
&rst
ixpk= 525, nxpk= 25, iat= 657, 661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ARG HN 44 ARG HB3 5.50 (# 526:25 Preassigned 3.39, 3.48 A)
&rst
ixpk= 526, nxpk= 25, iat= 657, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ARG HN 42 ALA QB 4.50 (# 527:25 Preassigned 2.71, 3.73 A)
&rst
ixpk= 527, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 639, 640, 641,
&end
#
# 44 ARG HN 44 ARG HG+ 5.50 (# 528:25 Preassigned 2.43, 3.09 A)
&rst
ixpk= 528, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 664, 665,
&end
#
# 15 HID HE1 13 LYS HD+ 5.50 (# 529:25 Preassigned 3.13, 4.08 A)
&rst
ixpk= 529, nxpk= 25, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 182, 183,
&end
#
# 15 HID HE1 13 LYS HD+ 5.50 (# 530:25 Preassigned 3.13, 4.08 A)
&rst
ixpk= 530, nxpk= 25, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 182, 183,
&end
#
# 15 HID HE1 30 ILE HG1+ 5.50 (# 531:25 Preassigned 3.13, 4.11 A)
&rst
ixpk= 531, nxpk= 25, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 15 HID HE1 13 LYS HB3 5.50 (# 532:25 Preassigned 2.37, 2.49 A)
&rst
ixpk= 532, nxpk= 25, iat= 220, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HE1 13 LYS HD- 5.50 (# 533:25 Preassigned 3.13, 4.08 A)
&rst
ixpk= 533, nxpk= 25, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 182, 183,
&end
#
# 44 ARG HN 44 ARG HG- 5.50 (# 534:25 Preassigned 2.43, 3.09 A)
&rst
ixpk= 534, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 664, 665,
&end
#
# 15 HID HE1 13 LYS HB2 5.50 (# 535:25 Preassigned 2.15, 2.25 A)
&rst
ixpk= 535, nxpk= 25, iat= 220, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HE1 30 ILE QD1 4.50 (# 536:25 Preassigned 2.72, 3.77 A)
&rst
ixpk= 536, nxpk= 25, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 445, 446, 447,
&end
#
# 44 ARG HN 68 LEU QD1 5.50 (# 537:25 Preassigned 3.87, 4.78 A)
&rst
ixpk= 537, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1049,1050,1051,
&end
#
# 10 ASN HD2- 10 ASN HB2 4.50 (# 538:25 Preassigned 3.02, 3.52 A)
&rst
ixpk= 538, nxpk= 25, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 124, 125,
&end
#
# 10 ASN HD2- 10 ASN HB3 5.50 (# 539:25 Preassigned 3.57, 3.86 A)
&rst
ixpk= 539, nxpk= 25, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 124, 125,
&end
#
# 6 GLN HE2+ 6 GLN HG+ 5.50 (# 540:25 Preassigned 2.27, 3.40 A)
&rst
ixpk= 540, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 76, 77,
igr2= 71, 72,
&end
#
# 0 AMB 25-3:541 0 AMB 25-1:541 4.50 (# 541:25 Double Ambig)
&rst
ixpk= 541, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 306, 307, 76, 77,
igr2= 301, 302, 71, 72,
&end
#
# 21 GLN HE2- 21 GLN HG+ 5.50 (# 542:25 Preassigned 2.22, 3.24 A)
&rst
ixpk= 542, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 306, 307,
igr2= 301, 302,
&end
#
# 6 GLN HE2+ 38 ILE QG2 5.50 (# 543:25 Preassigned 5.43, 7.28 A)
&rst
ixpk= 543, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 76, 77,
igr2= 573, 574, 575,
&end
#
# 12 TRP HE3 12 TRP HB2 5.50 (# 544:25 Preassigned 4.03, 4.06 A)
&rst
ixpk= 544, nxpk= 25, iat= 167, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HE3 12 TRP HB3 5.50 (# 545:25 Preassigned 2.58, 2.60 A)
&rst
ixpk= 545, nxpk= 25, iat= 167, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HE3 30 ILE HB 4.50 (# 546:25 Preassigned 2.21, 2.27 A)
&rst
ixpk= 546, nxpk= 25, iat= 167, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 TRP HE3 30 ILE QG2 4.50 (# 547:25 Preassigned 2.48, 3.34 A)
&rst
ixpk= 547, nxpk= 25, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 438, 439, 440,
&end
#
# 50 GLU HN 67 GLU HB2 5.50 (# 549:25 Preassigned 2.64, 4.40 A)
&rst
ixpk= 549, nxpk= 25, iat= 756,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HN 50 GLU HA 4.50 (# 550:25 Preassigned 2.90, 2.92 A)
&rst
ixpk= 550, nxpk= 25, iat= 756, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLU HN 49 LYS HA 5.50 (# 551:25 Preassigned 3.61, 3.64 A)
&rst
ixpk= 551, nxpk= 25, iat= 756, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HN 50 GLU HB2 5.50 (# 552:25 Preassigned 3.24, 3.32 A)
&rst
ixpk= 552, nxpk= 25, iat= 756, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HN 50 GLU HB3 5.50 (# 553:25 Preassigned 2.94, 3.04 A)
&rst
ixpk= 553, nxpk= 25, iat= 756, 761, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HN 67 GLU HB3 5.50 (# 554:25 Preassigned 2.65, 3.20 A)
&rst
ixpk= 554, nxpk= 25, iat= 756,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HN 49 LYS HB2 4.50 (# 555:25 Preassigned 3.75, 3.90 A)
&rst
ixpk= 555, nxpk= 25, iat= 756, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLU HN 49 LYS HB3 4.50 (# 556:25 Preassigned 2.44, 2.61 A)
&rst
ixpk= 556, nxpk= 25, iat= 756, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLU HN 49 LYS HG+ 5.50 (# 557:25 Preassigned 3.50, 4.36 A)
&rst
ixpk= 557, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 741, 742,
&end
#
# 50 GLU HN 49 LYS HG- 5.50 (# 558:25 Preassigned 3.50, 4.36 A)
&rst
ixpk= 558, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 741, 742,
&end
#
# 50 GLU HN 48 VAL QG1 4.50 (# 559:25 Preassigned 2.98, 3.75 A)
&rst
ixpk= 559, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 724, 725, 726,
&end
#
# 58 PHE HE 9 GLY HA+ 5.50 (# 560:25 Preassigned 4.96, 7.11 A)
&rst
ixpk= 560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 897, 901,
igr2= 110, 111,
&end
#
# 58 PHE HE 9 GLY HA- 5.50 (# 561:25 Preassigned 4.96, 7.11 A)
&rst
ixpk= 561, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 897, 901,
igr2= 110, 111,
&end
#
# 58 PHE HE 9 GLY HA- 5.50 (# 562:25 Preassigned 4.96, 7.11 A)
&rst
ixpk= 562, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 897, 901,
igr2= 110, 111,
&end
#
# 58 PHE HE 58 PHE HB2 5.50 (# 563:25 Preassigned 4.74, 5.10 A)
&rst
ixpk= 563, nxpk= 25, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 897, 901,
&end
#
# 58 PHE HE 58 PHE HB3 5.50 (# 564:25 Preassigned 4.67, 5.09 A)
&rst
ixpk= 564, nxpk= 25, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 897, 901,
&end
#
# 7 MET HN 7 MET HA 4.50 (# 565:25 Preassigned 2.87, 2.91 A)
&rst
ixpk= 565, nxpk= 25, iat= 81, 83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 MET HN 6 GLN HA 4.50 (# 566:25 Preassigned 2.97, 3.21 A)
&rst
ixpk= 566, nxpk= 25, iat= 81, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 MET HN 5 ILE HA 5.50 (# 567:25 Preassigned 4.08, 4.18 A)
&rst
ixpk= 567, nxpk= 25, iat= 81, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HN 61 GLU HA 5.50 (# 568:25 Preassigned 2.74, 2.97 A)
&rst
ixpk= 568, nxpk= 25, iat= 81, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HN 7 MET QG 4.50 (# 569:25 Preassigned 2.52, 3.70 A)
&rst
ixpk= 569, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 88, 89,
&end
#
# 7 MET HN 6 GLN HB- 5.50 (# 570:25 Preassigned 3.64, 4.33 A)
&rst
ixpk= 570, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 68, 69,
&end
#
# 7 MET HN 7 MET HB3 5.50 (# 571:25 Preassigned 3.40, 3.62 A)
&rst
ixpk= 571, nxpk= 25, iat= 81, 86, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HN 7 MET HB2 5.50 (# 572:25 Preassigned 2.82, 3.74 A)
&rst
ixpk= 572, nxpk= 25, iat= 81, 85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HN 5 ILE QG2 3.50 (# 573:25 Preassigned 1.75, 2.91 A)
&rst
ixpk= 573, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 51, 52, 53,
&end
#
# 7 MET HN 0 AMB 25-1:574 5.50 (# 574:25 Single Ambig)
&rst
ixpk= 574, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 613, 614, 615, 58, 59, 60,
&end
#
# 26 GLN HE2- 22 ILE QD1 5.50 (# 575:25 Preassigned 5.21, 6.52 A)
&rst
ixpk= 575, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 386, 387,
igr2= 324, 325, 326,
&end
#
# 7 MET HN 31 LEU HG 5.50 (# 576:25 Preassigned 3.94, 4.31 A)
&rst
ixpk= 576, nxpk= 25, iat= 81, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HN 0 AMB 25-1:577 5.50 (# 577:25 Single Ambig)
&rst
ixpk= 577, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 26 GLN HE2- 26 GLN HG- 5.50 (# 578:25 Preassigned 2.23, 3.34 A)
&rst
ixpk= 578, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 386, 387,
igr2= 381, 382,
&end
#
# 26 GLN HE2- 26 GLN HG+ 5.50 (# 579:25 Preassigned 2.23, 3.34 A)
&rst
ixpk= 579, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 386, 387,
igr2= 381, 382,
&end
#
# 0 AMB 25-3:580 7 ALA QB 4.50 (# 580:25 Single Ambig)
&rst
ixpk= 580, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 899, 81,
igr2= 102, 103, 104,
&end
#
# 26 GLN HE2- 16 VAL QG1 5.50 (# 581:25 Preassigned 3.69, 4.94 A)
&rst
ixpk= 581, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 386, 387,
igr2= 233, 234, 235,
&end
#
# 26 GLN HE2- 28 VAL QG2 5.50 (# 582:25 Preassigned 3.00, 5.53 A)
&rst
ixpk= 582, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 386, 387,
igr2= 416, 417, 418,
&end
#
# 26 GLN HE2- 22 ILE QG2 5.50 (# 583:25 Preassigned 2.26, 4.02 A)
&rst
ixpk= 583, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 386, 387,
igr2= 317, 318, 319,
&end
#
# 58 PHE HD 58 PHE HB2 4.50 (# 584:25 Preassigned 2.49, 3.09 A)
&rst
ixpk= 584, nxpk= 25, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 895, 903,
&end
#
# 58 PHE HD 58 PHE HB3 4.50 (# 585:25 Preassigned 2.38, 3.08 A)
&rst
ixpk= 585, nxpk= 25, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 895, 903,
&end
#
# 60 ASN HD2- 60 ASN HB+ 5.50 (# 586:25 Preassigned 2.48, 3.47 A)
&rst
ixpk= 586, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 932, 933,
igr2= 927, 928,
&end
#
# 60 ASN HD2- 60 ASN HB- 5.50 (# 587:25 Preassigned 2.48, 3.47 A)
&rst
ixpk= 587, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 932, 933,
igr2= 927, 928,
&end
#
# 12 TRP HD1 30 ILE HB 7.00 (# 588:25 Preassigned 6.04, 6.13 A)
&rst
ixpk= 588, nxpk= 25, iat= 156, 436, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 TRP HD1 12 TRP HB2 5.50 (# 590:25 Preassigned 2.70, 2.74 A)
&rst
ixpk= 590, nxpk= 25, iat= 156, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HD1 12 TRP HB3 5.50 (# 591:25 Preassigned 3.81, 3.82 A)
&rst
ixpk= 591, nxpk= 25, iat= 156, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HD1 30 ILE QG2 5.50 (# 592:25 Preassigned 4.93, 5.71 A)
&rst
ixpk= 592, nxpk= 25, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 438, 439, 440,
&end
#
# 12 TRP HD1 13 LYS HG- 5.50 (# 593:25 Preassigned 5.14, 6.00 A)
&rst
ixpk= 593, nxpk= 25, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 179, 180,
&end
#
# 53 LYS HN 65 LEU HA 5.50 (# 594:25 Preassigned 4.14, 4.43 A)
&rst
ixpk= 594, nxpk= 25, iat= 809, 989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HN 51 VAL HA 5.50 (# 595:25 Preassigned 3.81, 3.96 A)
&rst
ixpk= 595, nxpk= 25, iat= 809, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HN 52 LYS HA 4.50 (# 596:25 Preassigned 3.14, 3.27 A)
&rst
ixpk= 596, nxpk= 25, iat= 809, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LYS HN 53 LYS HB3 5.50 (# 597:25 Preassigned 3.77, 3.84 A)
&rst
ixpk= 597, nxpk= 25, iat= 809, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HN 52 LYS HB2 5.50 (# 598:25 Preassigned 3.51, 3.72 A)
&rst
ixpk= 598, nxpk= 25, iat= 809, 791, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HN 53 LYS HG+ 5.50 (# 599:25 Preassigned 3.27, 3.95 A)
&rst
ixpk= 599, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 816, 817,
&end
#
# 53 LYS HN 53 LYS HG+ 5.50 (# 600:25 Preassigned 3.27, 3.95 A)
&rst
ixpk= 600, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 816, 817,
&end
#
# 53 LYS HN 53 LYS HB2 4.50 (# 601:25 Preassigned 2.64, 2.76 A)
&rst
ixpk= 601, nxpk= 25, iat= 809, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LYS HN 14 VAL QG1 4.50 (# 602:25 Preassigned 4.52, 5.74 A)
&rst
ixpk= 602, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 200, 201, 202,
&end
#
# 53 LYS HN 65 LEU QD+ 4.50 (# 603:25 Preassigned 3.58, 6.11 A)
&rst
ixpk= 603, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 53 LYS HN 51 VAL QG2 5.50 (# 604:25 Preassigned 5.54, 5.78 A)
&rst
ixpk= 604, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 781, 782, 783,
&end
#
# 16 VAL HN 14 VAL HA 5.50 (# 605:25 Preassigned 3.99, 4.14 A)
&rst
ixpk= 605, nxpk= 25, iat= 227, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 VAL HN 15 HID HB3 5.50 (# 606:25 Preassigned 4.26, 4.44 A)
&rst
ixpk= 606, nxpk= 25, iat= 227, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 VAL HN 15 HID HB3 5.50 (# 607:25 Preassigned 4.26, 4.44 A)
&rst
ixpk= 607, nxpk= 25, iat= 227, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 VAL HN 15 HID HB2 5.50 (# 608:25 Preassigned 3.17, 3.61 A)
&rst
ixpk= 608, nxpk= 25, iat= 227, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 VAL HN 29 ALA QB 7.00 (# 609:25 Preassigned 4.68, 6.16 A)
&rst
ixpk= 609, nxpk= 25, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 426, 427, 428,
&end
#
# 16 VAL HN 51 VAL QG1 4.50 (# 610:25 Preassigned 4.41, 5.44 A)
&rst
ixpk= 610, nxpk= 25, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 777, 778, 779,
&end
#
# 16 VAL HN 16 VAL QG1 4.50 (# 611:25 Preassigned 2.48, 3.69 A)
&rst
ixpk= 611, nxpk= 25, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 233, 234, 235,
&end
#
# 16 VAL HN 14 VAL QG2 7.00 (# 612:25 Preassigned 5.41, 5.90 A)
&rst
ixpk= 612, nxpk= 25, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 204, 205, 206,
&end
#
# 16 VAL HN 16 VAL QG2 3.50 (# 613:25 Preassigned 2.03, 2.96 A)
&rst
ixpk= 613, nxpk= 25, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 237, 238, 239,
&end
#
# 6 GLN HE2- 40 ILE HA 5.50 (# 614:25 Preassigned 3.06, 4.33 A)
&rst
ixpk= 614, nxpk= 25, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 76, 77,
&end
#
# 10 ASN HD2+ 10 ASN HB2 5.50 (# 615:25 Preassigned 3.02, 3.52 A)
&rst
ixpk= 615, nxpk= 25, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 124, 125,
&end
#
# 6 GLN HE2- 38 ILE QG2 5.50 (# 616:25 Preassigned 5.43, 7.28 A)
&rst
ixpk= 616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 76, 77,
igr2= 573, 574, 575,
&end
#
# 0 AMB 25-3:617 0 AMB 25-1:617 5.50 (# 617:25 Double Ambig)
&rst
ixpk= 617, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 306, 307, 76, 77,
igr2= 301, 302, 71, 72,
&end
#
# 10 ASN HA 10 ASN HB2 4.50 (# 618:25 Preassigned 3.02, 3.03 A)
&rst
ixpk= 618, nxpk= 25, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HA 10 ASN HB3 4.50 (# 619:25 Preassigned 2.61, 2.64 A)
&rst
ixpk= 619, nxpk= 25, iat= 117, 120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HA 11 LEU HB2 5.50 (# 620:25 Preassigned 4.07, 4.13 A)
&rst
ixpk= 620, nxpk= 25, iat= 117, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HA 59 VAL QG2 5.50 (# 621:25 Preassigned 2.40, 3.40 A)
&rst
ixpk= 621, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 10 ASN HA 0 AMB 25-1:622 5.50 (# 622:25 Single Ambig)
&rst
ixpk= 622, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 32 GLU HA 32 GLU HB3 4.50 (# 624:25 Preassigned 3.05, 3.05 A)
&rst
ixpk= 624, nxpk= 25, iat= 472, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HA 32 GLU HG- 4.50 (# 625:25 Preassigned 2.47, 2.87 A)
&rst
ixpk= 625, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 477, 478,
&end
#
# 32 GLU HA 32 GLU HG+ 4.50 (# 626:25 Preassigned 2.47, 2.87 A)
&rst
ixpk= 626, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 477, 478,
&end
#
# 32 GLU HA 32 GLU HB2 4.50 (# 627:25 Preassigned 2.41, 2.46 A)
&rst
ixpk= 627, nxpk= 25, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HA 30 ILE QG2 5.50 (# 628:25 Preassigned 4.46, 5.27 A)
&rst
ixpk= 628, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 438, 439, 440,
&end
#
# 32 GLU HA 38 ILE QD1 5.50 (# 629:25 Preassigned 3.24, 4.17 A)
&rst
ixpk= 629, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 580, 581, 582,
&end
#
# 2 THR HA 2 THR HB 5.50 (# 630:25 Preassigned 2.50, 2.85 A)
&rst
ixpk= 630, nxpk= 25, iat= 6, 8, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU HA 69 SER QB 4.50 (# 631:25 Preassigned 4.49, 5.22 A)
&rst
ixpk= 631, nxpk= 25, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1063,1064,
&end
#
# 68 LEU HA 48 VAL HA 3.50 (# 632:25 Preassigned 2.52, 2.71 A)
&rst
ixpk= 632, nxpk= 25, iat=1042, 720, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 LEU HA 68 LEU HB3 4.50 (# 633:25 Preassigned 2.44, 2.50 A)
&rst
ixpk= 633, nxpk= 25, iat=1042,1045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:634 67 LEU HB2 4.50 (# 634:25 Single Ambig)
&rst
ixpk= 634, nxpk= 25, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1042, 6,
&end
#
# 0 AMB 25-3:636 67 LEU HG 5.50 (# 636:25 Single Ambig)
&rst
ixpk= 636, nxpk= 25, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 6,1042,
&end
#
# 2 THR HA 2 THR QG2 5.50 (# 637:25 Preassigned 2.36, 3.07 A)
&rst
ixpk= 637, nxpk= 25, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 10, 11, 12,
&end
#
# 0 AMB 25-3:638 47 VAL QG2 5.50 (# 638:25 Single Ambig)
&rst
ixpk= 638, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1042,1008,
igr2= 728, 729, 730,
&end
#
# 0 AMB 25-3:639 67 LEU QD1 5.50 (# 639:25 Single Ambig)
&rst
ixpk= 639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 6,1042,
igr2=1049,1050,1051,
&end
#
# 68 LEU HA 68 LEU QD2 3.50 (# 640:25 Preassigned 2.19, 3.02 A)
&rst
ixpk= 640, nxpk= 25, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1053,1054,1055,
&end
#
# 66 LEU HA 51 VAL HA 4.50 (# 641:25 Preassigned 2.17, 2.34 A)
&rst
ixpk= 641, nxpk= 25, iat=1008, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:642 0 AMB 25-1:642 5.50 (# 642:25 Double Ambig)
&rst
ixpk= 642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1008, 6,
igr2= 791,1030,
&end
#
# 66 LEU HA 66 LEU HB2 4.50 (# 643:25 Preassigned 2.34, 2.41 A)
&rst
ixpk= 643, nxpk= 25, iat=1008,1010, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HA 66 LEU HB3 4.50 (# 644:25 Preassigned 2.38, 2.42 A)
&rst
ixpk= 644, nxpk= 25, iat=1008,1011, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HA 52 LYS HG- 5.50 (# 645:25 Preassigned 2.07, 3.06 A)
&rst
ixpk= 645, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 794, 795,
&end
#
# 66 LEU HA 52 LYS HG+ 5.50 (# 646:25 Preassigned 2.07, 3.06 A)
&rst
ixpk= 646, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 794, 795,
&end
#
# 66 LEU HA 14 VAL QG1 7.00 (# 647:25 Preassigned 6.77, 7.47 A)
&rst
ixpk= 647, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 200, 201, 202,
&end
#
# 66 LEU HA 65 LEU QD+ 5.50 (# 648:25 Preassigned 3.93, 6.02 A)
&rst
ixpk= 648, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:649 0 AMB 25-1:649 4.50 (# 649:25 Double Ambig)
&rst
ixpk= 649, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 6,1042,1008,
igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,1015,1016,1017,1019,1020,1021,
&end
#
# 66 LEU HA 51 VAL QG2 5.50 (# 650:25 Preassigned 4.17, 5.26 A)
&rst
ixpk= 650, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 781, 782, 783,
&end
#
# 0 AMB 25-3:651 47 VAL QG1 5.50 (# 651:25 Single Ambig)
&rst
ixpk= 651, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1042,1008,
igr2= 724, 725, 726,
&end
#
# 66 LEU HA 64 VAL QG1 5.50 (# 652:25 Preassigned 3.29, 4.31 A)
&rst
ixpk= 652, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 977, 978, 979,
&end
#
# 4 SER HA 64 VAL HA 3.50 (# 653:25 Preassigned 2.26, 2.32 A)
&rst
ixpk= 653, nxpk= 25, iat= 36, 973, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 SER HA 0 AMB 25-1:654 4.50 (# 654:25 Single Ambig)
&rst
ixpk= 654, nxpk= 25, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 39, 38,
&end
#
# 4 SER HA 0 AMB 25-1:655 4.50 (# 655:25 Single Ambig)
&rst
ixpk= 655, nxpk= 25, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 39, 38,
&end
#
# 4 SER HA 5 ILE HB 5.50 (# 656:25 Preassigned 4.68, 4.78 A)
&rst
ixpk= 656, nxpk= 25, iat= 36, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ILE HA 22 ILE HB 3.50 (# 657:25 Preassigned 2.36, 2.38 A)
&rst
ixpk= 657, nxpk= 25, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ILE HA 22 ILE HG1+ 5.50 (# 658:25 Preassigned 3.72, 3.77 A)
&rst
ixpk= 658, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 321, 322,
&end
#
# 22 ILE HA 22 ILE HG1+ 5.50 (# 660:25 Preassigned 3.72, 3.77 A)
&rst
ixpk= 660, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 321, 322,
&end
#
# 22 ILE HA 22 ILE HG1- 5.50 (# 661:25 Preassigned 3.72, 3.77 A)
&rst
ixpk= 661, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:662 0 AMB 25-1:662 4.50 (# 662:25 Double Ambig)
&rst
ixpk= 662, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 36, 313,
igr2= 24, 25, 26, 981, 982, 983, 233, 234, 235,
&end
#
# 22 ILE HA 28 VAL QG2 7.00 (# 663:25 Unique 4.83, 6.64 A)
&rst
ixpk= 663, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 416, 417, 418,
&end
#
# 4 SER HA 3 VAL QG2 7.00 (# 664:25 Preassigned 6.64, 6.90 A)
&rst
ixpk= 664, nxpk= 25, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 28, 29, 30,
&end
#
# 4 SER HA 5 ILE QD1 5.50 (# 665:25 Preassigned 2.88, 4.77 A)
&rst
ixpk= 665, nxpk= 25, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 58, 59, 60,
&end
#
# 22 ILE HA 22 ILE QG2 3.50 (# 666:25 Preassigned 2.45, 3.16 A)
&rst
ixpk= 666, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 317, 318, 319,
&end
#
# 22 ILE HA 22 ILE QD1 4.50 (# 667:25 Preassigned 4.75, 5.13 A)
&rst
ixpk= 667, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 324, 325, 326,
&end
#
# 58 PHE HA 58 PHE HB2 4.50 (# 668:25 Preassigned 2.41, 2.45 A)
&rst
ixpk= 668, nxpk= 25, iat= 889, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 PHE HA 58 PHE HB3 4.50 (# 669:25 Preassigned 3.04, 3.04 A)
&rst
ixpk= 669, nxpk= 25, iat= 889, 892, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 PHE HA 59 VAL QG2 5.50 (# 670:25 Preassigned 3.53, 4.53 A)
&rst
ixpk= 670, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 58 PHE HA 59 VAL QG1 5.50 (# 671:25 Preassigned 4.15, 5.23 A)
&rst
ixpk= 671, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 913, 914, 915,
&end
#
# 16 VAL HA 17 LYS HA 4.50 (# 672:25 Preassigned 4.53, 4.54 A)
&rst
ixpk= 672, nxpk= 25, iat= 229, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL HA 17 LYS HG+ 5.50 (# 673:25 Preassigned 3.67, 4.51 A)
&rst
ixpk= 673, nxpk= 25, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 16 VAL HA 51 VAL QG1 5.50 (# 675:25 Preassigned 6.04, 6.83 A)
&rst
ixpk= 675, nxpk= 25, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 777, 778, 779,
&end
#
# 16 VAL HA 16 VAL QG1 3.50 (# 676:25 Preassigned 2.38, 3.04 A)
&rst
ixpk= 676, nxpk= 25, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 233, 234, 235,
&end
#
# 16 VAL HA 16 VAL QG2 4.50 (# 677:25 Preassigned 3.73, 3.97 A)
&rst
ixpk= 677, nxpk= 25, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 237, 238, 239,
&end
#
# 16 VAL HA 22 ILE QG2 5.50 (# 678:25 Preassigned 4.67, 5.05 A)
&rst
ixpk= 678, nxpk= 25, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 41 VAL HA 27 GLU HA 2.80 (# 679:25 Preassigned 2.09, 2.30 A)
&rst
ixpk= 679, nxpk= 25, iat= 621, 393, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 LEU HA 11 LEU HA 3.50 (# 680:25 Preassigned 2.26, 2.46 A)
&rst
ixpk= 680, nxpk= 25, iat= 453, 131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 HID HA 15 HID HB3 3.50 (# 681:25 Preassigned 2.34, 2.35 A)
&rst
ixpk= 681, nxpk= 25, iat= 212, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 HID HA 15 HID HB3 4.50 (# 682:25 Preassigned 2.34, 2.35 A)
&rst
ixpk= 682, nxpk= 25, iat= 212, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:683 14 HID HB2 4.50 (# 683:25 Single Ambig)
&rst
ixpk= 683, nxpk= 25, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 212, 229,
&end
#
# 41 VAL HA 41 VAL HB 4.50 (# 684:25 Preassigned 2.39, 2.45 A)
&rst
ixpk= 684, nxpk= 25, iat= 621, 623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HA 31 LEU HB3 4.50 (# 685:25 Preassigned 3.05, 3.05 A)
&rst
ixpk= 685, nxpk= 25, iat= 453, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 VAL HA 42 ALA QB 4.50 (# 686:25 Preassigned 4.38, 5.01 A)
&rst
ixpk= 686, nxpk= 25, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 639, 640, 641,
&end
#
# 0 AMB 25-3:687 28 ALA QB 5.50 (# 687:25 Single Ambig)
&rst
ixpk= 687, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 453, 621, 212,
igr2= 426, 427, 428,
&end
#
# 31 LEU HA 31 LEU HB2 4.50 (# 688:25 Preassigned 2.36, 2.39 A)
&rst
ixpk= 688, nxpk= 25, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HA 30 ILE QG2 5.50 (# 689:25 Preassigned 3.98, 4.97 A)
&rst
ixpk= 689, nxpk= 25, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 438, 439, 440,
&end
#
# 41 VAL HA 28 VAL QG2 4.50 (# 690:25 Preassigned 2.26, 3.63 A)
&rst
ixpk= 690, nxpk= 25, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 416, 417, 418,
&end
#
# 41 VAL HA 41 VAL QG2 4.50 (# 691:25 Preassigned 3.76, 3.96 A)
&rst
ixpk= 691, nxpk= 25, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 629, 630, 631,
&end
#
# 41 VAL HA 41 VAL QG1 3.50 (# 692:25 Preassigned 2.56, 3.17 A)
&rst
ixpk= 692, nxpk= 25, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 625, 626, 627,
&end
#
# 0 AMB 25-3:693 0 AMB 25-1:693 5.50 (# 693:25 Double Ambig)
&rst
ixpk= 693, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 453, 621,
igr2= 613, 614, 615, 58, 59, 60,
&end
#
# 0 AMB 25-3:694 27 VAL QG1 4.50 (# 694:25 Single Ambig)
&rst
ixpk= 694, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 621, 229,
igr2= 412, 413, 414,
&end
#
# 41 VAL HA 40 ILE QG2 5.50 (# 695:25 Preassigned 4.03, 5.09 A)
&rst
ixpk= 695, nxpk= 25, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 606, 607, 608,
&end
#
# 31 LEU HA 11 LEU QD+ 5.50 (# 696:25 Preassigned 2.55, 5.30 A)
&rst
ixpk= 696, nxpk= 25, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 31 LEU HA 31 LEU HG 5.50 (# 697:25 Preassigned 3.78, 3.81 A)
&rst
ixpk= 697, nxpk= 25, iat= 453, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HA 0 AMB 25-1:698 4.50 (# 698:25 Single Ambig)
&rst
ixpk= 698, nxpk= 25, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 138, 139, 140, 142, 143, 144, 458,
&end
#
# 31 LEU HA 0 AMB 25-1:699 4.50 (# 699:25 Single Ambig)
&rst
ixpk= 699, nxpk= 25, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 15 HID HA 13 LYS HA 7.00 (# 700:25 Preassigned 6.63, 6.85 A)
&rst
ixpk= 700, nxpk= 25, iat= 212, 174, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 TRP HA 12 TRP HB2 3.50 (# 701:25 Preassigned 2.54, 2.56 A)
&rst
ixpk= 701, nxpk= 25, iat= 150, 152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 TRP HA 12 TRP HB3 4.50 (# 702:25 Preassigned 3.03, 3.04 A)
&rst
ixpk= 702, nxpk= 25, iat= 150, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 SER HA 3 VAL HA 5.50 (# 703:25 Preassigned 4.49, 4.51 A)
&rst
ixpk= 703, nxpk= 25, iat= 36, 20, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ILE HA 48 VAL QG1 5.50 (# 710:25 Preassigned 6.43, 6.59 A)
&rst
ixpk= 710, nxpk= 25, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 47 ILE HA 68 LEU QD2 5.50 (# 712:25 Preassigned 4.02, 4.95 A)
&rst
ixpk= 712, nxpk= 25, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1053,1054,1055,
&end
#
# 0 AMB 25-3:713 0 AMB 25-1:713 5.50 (# 713:25 Double Ambig)
&rst
ixpk= 713, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1072, 683, 701,
igr2= 694, 695, 694, 695, 694, 695,
&end
#
# 45 SER HA 45 SER HB3 2.80 (# 714:25 Preassigned 2.38, 2.42 A)
&rst
ixpk= 714, nxpk= 25, iat= 683, 686, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:715 45 GLY HA- 5.50 (# 715:25 Single Ambig)
&rst
ixpk= 715, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 683, 701, 296,
igr2= 694, 695,
&end
#
# 45 SER HA 45 SER HB2 3.50 (# 716:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 716, nxpk= 25, iat= 683, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 ILE HA 48 VAL HB 5.50 (# 717:25 Preassigned 4.50, 4.61 A)
&rst
ixpk= 717, nxpk= 25, iat= 701, 722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:718 20 GLN HG- 4.50 (# 718:25 Single Ambig)
&rst
ixpk= 718, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 296, 701,
igr2= 301, 302,
&end
#
# 0 AMB 25-3:719 0 AMB 25-1:719 4.50 (# 719:25 Double Ambig)
&rst
ixpk= 719, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 296, 701,
igr2= 301, 302, 301, 302,
&end
#
# 0 AMB 25-3:720 20 GLN QB 2.80 (# 720:25 Single Ambig)
&rst
ixpk= 720, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 296, 701,
igr2= 298, 299,
&end
#
# 47 ILE HA 47 ILE HB 4.50 (# 721:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 721, nxpk= 25, iat= 701, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:722 21 ILE HB 5.50 (# 722:25 Single Ambig)
&rst
ixpk= 722, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 683, 296,
&end
#
# 45 SER HA 24 LYS HB2 5.50 (# 723:25 Preassigned 4.34, 4.48 A)
&rst
ixpk= 723, nxpk= 25, iat= 683, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:724 0 AMB 25-1:724 4.50 (# 724:25 Double Ambig)
&rst
ixpk= 724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 683, 296,
igr2= 321, 322, 321, 322,
&end
#
# 0 AMB 25-3:725 46 ILE HG1- 3.50 (# 725:25 Single Ambig)
&rst
ixpk= 725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 701, 296,
igr2= 709, 710,
&end
#
# 0 AMB 25-3:726 21 ILE HG1- 4.50 (# 726:25 Single Ambig)
&rst
ixpk= 726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 683, 296,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:727 47 VAL QG2 3.50 (# 727:25 Single Ambig)
&rst
ixpk= 727, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 296, 701,
igr2= 728, 729, 730,
&end
#
# 0 AMB 25-3:728 21 ILE QG2 4.50 (# 728:25 Single Ambig)
&rst
ixpk= 728, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 296, 701,
igr2= 317, 318, 319,
&end
#
# 47 ILE HA 47 ILE QG2 3.50 (# 729:25 Preassigned 2.58, 3.24 A)
&rst
ixpk= 729, nxpk= 25, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 705, 706, 707,
&end
#
# 0 AMB 25-3:730 21 ILE QD1 4.50 (# 730:25 Single Ambig)
&rst
ixpk= 730, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 683, 296, 701,
igr2= 324, 325, 326,
&end
#
# 0 AMB 25-3:731 23 LYS HA 4.50 (# 731:25 Single Ambig)
&rst
ixpk= 731, nxpk= 25, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 683, 647,
&end
#
# 43 ASP HA 43 ASP HB2 4.50 (# 732:25 Preassigned 2.42, 2.45 A)
&rst
ixpk= 732, nxpk= 25, iat= 647, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ASP HA 43 ASP HB2 4.50 (# 733:25 Preassigned 2.42, 2.45 A)
&rst
ixpk= 733, nxpk= 25, iat= 647, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ASP HA 43 ASP HB3 4.50 (# 734:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 734, nxpk= 25, iat= 647, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ASP HA 43 ASP HB3 4.50 (# 735:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 735, nxpk= 25, iat= 647, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:736 23 LYS QD 5.50 (# 736:25 Single Ambig)
&rst
ixpk= 736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 647, 683,
igr2= 355, 356,
&end
#
# 0 AMB 25-3:737 41 ALA QB 4.50 (# 737:25 Single Ambig)
&rst
ixpk= 737, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 683, 647,
igr2= 639, 640, 641,
&end
#
# 43 ASP HA 24 LYS QG 3.50 (# 738:25 Preassigned 3.36, 4.23 A)
&rst
ixpk= 738, nxpk= 25, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 352, 353,
&end
#
# 28 VAL HA 15 HID HB2 5.50 (# 739:25 Preassigned 2.31, 2.79 A)
&rst
ixpk= 739, nxpk= 25, iat= 408, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HA 60 ASN HB+ 3.50 (# 740:25 Preassigned 2.77, 2.87 A)
&rst
ixpk= 740, nxpk= 25, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 927, 928,
&end
#
# 60 ASN HA 60 ASN HB- 3.50 (# 741:25 Preassigned 2.77, 2.87 A)
&rst
ixpk= 741, nxpk= 25, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 927, 928,
&end
#
# 67 GLU HA 67 GLU HG+ 4.50 (# 742:25 Preassigned 2.39, 2.99 A)
&rst
ixpk= 742, nxpk= 25, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1032,1033,
&end
#
# 67 GLU HA 67 GLU HG- 5.50 (# 743:25 Preassigned 2.39, 2.99 A)
&rst
ixpk= 743, nxpk= 25, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1032,1033,
&end
#
# 67 GLU HA 67 GLU HG- 5.50 (# 744:25 Preassigned 2.39, 2.99 A)
&rst
ixpk= 744, nxpk= 25, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1032,1033,
&end
#
# 67 GLU HA 67 GLU HB2 4.50 (# 745:25 Preassigned 2.42, 2.55 A)
&rst
ixpk= 745, nxpk= 25, iat=1027,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LYS HA 53 LYS HD- 2.80 (# 746:25 Preassigned 2.10, 2.69 A)
&rst
ixpk= 746, nxpk= 25, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 819, 820,
&end
#
# 53 LYS HA 53 LYS HB3 4.50 (# 747:25 Preassigned 2.48, 2.54 A)
&rst
ixpk= 747, nxpk= 25, iat= 811, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 GLU HA 67 GLU HB3 4.50 (# 748:25 Preassigned 2.40, 2.96 A)
&rst
ixpk= 748, nxpk= 25, iat=1027,1030, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LYS HA 54 LYS QB 5.50 (# 749:25 Preassigned 4.24, 4.99 A)
&rst
ixpk= 749, nxpk= 25, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 835, 836,
&end
#
# 53 LYS HA 53 LYS HD+ 4.50 (# 750:25 Preassigned 2.10, 2.69 A)
&rst
ixpk= 750, nxpk= 25, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 819, 820,
&end
#
# 60 ASN HA 8 ALA QB 3.50 (# 751:25 Preassigned 2.85, 3.90 A)
&rst
ixpk= 751, nxpk= 25, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 102, 103, 104,
&end
#
# 53 LYS HA 0 AMB 25-1:752 5.50 (# 752:25 Single Ambig)
&rst
ixpk= 752, nxpk= 25, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 816, 817, 838, 839,
&end
#
# 53 LYS HA 53 LYS HB2 4.50 (# 753:25 Preassigned 3.05, 3.06 A)
&rst
ixpk= 753, nxpk= 25, iat= 811, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:755 13 VAL QG1 5.50 (# 755:25 Single Ambig)
&rst
ixpk= 755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 408, 811,
igr2= 200, 201, 202,
&end
#
# 28 VAL HA 65 LEU QD+ 5.50 (# 756:25 Preassigned 4.86, 6.70 A)
&rst
ixpk= 756, nxpk= 25, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 67 GLU HA 66 LEU QD- 5.50 (# 757:25 Preassigned 3.15, 5.58 A)
&rst
ixpk= 757, nxpk= 25, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 25-3:758 58 VAL QG1 5.50 (# 758:25 Single Ambig)
&rst
ixpk= 758, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 811, 925,
igr2= 913, 914, 915,
&end
#
# 67 GLU HA 64 VAL QG1 5.50 (# 759:25 Preassigned 4.45, 4.91 A)
&rst
ixpk= 759, nxpk= 25, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 977, 978, 979,
&end
#
# 60 ASN HA 59 VAL QG2 5.50 (# 760:25 Preassigned 4.35, 5.42 A)
&rst
ixpk= 760, nxpk= 25, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 33 SER HA 9 GLY HA+ 5.50 (# 762:25 Preassigned 3.76, 3.94 A)
&rst
ixpk= 762, nxpk= 25, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 8 ALA HA 9 GLY HA- 5.50 (# 763:25 Preassigned 4.34, 4.44 A)
&rst
ixpk= 763, nxpk= 25, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 33 SER HA 9 GLY HA- 5.50 (# 764:25 Preassigned 3.76, 3.94 A)
&rst
ixpk= 764, nxpk= 25, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 33 SER HA 33 SER HB2 3.50 (# 765:25 Preassigned 2.57, 2.59 A)
&rst
ixpk= 765, nxpk= 25, iat= 487, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 SER HA 33 SER HB3 4.50 (# 766:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 766, nxpk= 25, iat= 487, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL HA 15 HID HB3 5.50 (# 767:25 Preassigned 4.00, 4.51 A)
&rst
ixpk= 767, nxpk= 25, iat= 408, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL HA 15 HID HB2 4.50 (# 768:25 Preassigned 2.31, 2.79 A)
&rst
ixpk= 768, nxpk= 25, iat= 408, 214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL HA 29 ALA QB 5.50 (# 770:25 Preassigned 4.87, 5.62 A)
&rst
ixpk= 770, nxpk= 25, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 426, 427, 428,
&end
#
# 28 VAL HA 16 VAL QG1 3.50 (# 771:25 Unique 2.46, 3.73 A)
&rst
ixpk= 771, nxpk= 25, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 233, 234, 235,
&end
#
# 28 VAL HA 28 VAL QG2 3.50 (# 772:25 Preassigned 2.37, 3.52 A)
&rst
ixpk= 772, nxpk= 25, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 416, 417, 418,
&end
#
# 28 VAL HA 16 VAL QG2 5.50 (# 773:25 Preassigned 4.16, 5.35 A)
&rst
ixpk= 773, nxpk= 25, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 237, 238, 239,
&end
#
# 28 VAL HA 28 VAL QG1 4.50 (# 774:25 Preassigned 2.38, 3.19 A)
&rst
ixpk= 774, nxpk= 25, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 412, 413, 414,
&end
#
# 39 PRO HA 39 PRO HB+ 3.50 (# 775:25 Preassigned 2.30, 2.54 A)
&rst
ixpk= 775, nxpk= 25, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 593, 594,
&end
#
# 39 PRO HA 27 GLU HG- 5.50 (# 776:25 Preassigned 3.47, 4.48 A)
&rst
ixpk= 776, nxpk= 25, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 398, 399,
&end
#
# 39 PRO HA 39 PRO HB- 4.50 (# 777:25 Preassigned 2.30, 2.54 A)
&rst
ixpk= 777, nxpk= 25, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 593, 594,
&end
#
# 0 AMB 25-3:778 39 ILE HB 5.50 (# 778:25 Single Ambig)
&rst
ixpk= 778, nxpk= 25, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 596, 408,
&end
#
# 0 AMB 25-3:779 29 ILE QD1 4.50 (# 779:25 Single Ambig)
&rst
ixpk= 779, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 596, 554,
igr2= 445, 446, 447,
&end
#
# 39 PRO HA 41 VAL QG1 7.00 (# 780:25 Preassigned 4.78, 5.80 A)
&rst
ixpk= 780, nxpk= 25, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 625, 626, 627,
&end
#
# 39 PRO HA 40 ILE QD1 5.50 (# 781:25 Preassigned 4.97, 5.81 A)
&rst
ixpk= 781, nxpk= 25, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 613, 614, 615,
&end
#
# 39 PRO HA 30 ILE HA 3.50 (# 782:25 Preassigned 2.32, 2.45 A)
&rst
ixpk= 782, nxpk= 25, iat= 596, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ILE HA 39 PRO HD+ 2.80 (# 783:25 Preassigned 2.13, 2.40 A)
&rst
ixpk= 783, nxpk= 25, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 587, 588,
&end
#
# 38 ILE HA 39 PRO HD- 2.80 (# 784:25 Preassigned 2.13, 2.40 A)
&rst
ixpk= 784, nxpk= 25, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 587, 588,
&end
#
# 57 ASP HA 57 ASP HB3 4.50 (# 787:25 Preassigned 3.02, 3.04 A)
&rst
ixpk= 787, nxpk= 25, iat= 877, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASP HA 57 ASP HB2 3.50 (# 788:25 Preassigned 2.45, 2.52 A)
&rst
ixpk= 788, nxpk= 25, iat= 877, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 ASP HA 57 ASP HB2 3.50 (# 789:25 Preassigned 2.45, 2.52 A)
&rst
ixpk= 789, nxpk= 25, iat= 877, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:790 0 AMB 25-1:790 4.50 (# 790:25 Double Ambig)
&rst
ixpk= 790, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 596, 569,
igr2= 590, 591, 590, 591,
&end
#
# 0 AMB 25-3:791 38 PRO HG- 4.50 (# 791:25 Single Ambig)
&rst
ixpk= 791, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 596, 569,
igr2= 590, 591,
&end
#
# 37 GLU HA 37 GLU HG+ 4.50 (# 792:25 Preassigned 2.47, 3.05 A)
&rst
ixpk= 792, nxpk= 25, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 559, 560,
&end
#
# 0 AMB 25-3:793 37 ILE HB 4.50 (# 793:25 Single Ambig)
&rst
ixpk= 793, nxpk= 25, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 569, 554,
&end
#
# 37 GLU HA 37 GLU HB2 4.50 (# 794:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 794, nxpk= 25, iat= 554, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLU HA 37 GLU HB3 4.50 (# 795:25 Preassigned 2.43, 2.44 A)
&rst
ixpk= 795, nxpk= 25, iat= 554, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLU HA 37 GLU HG- 4.50 (# 796:25 Preassigned 2.47, 3.05 A)
&rst
ixpk= 796, nxpk= 25, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 559, 560,
&end
#
# 38 ILE HA 38 ILE HG1+ 4.50 (# 797:25 Preassigned 2.48, 3.11 A)
&rst
ixpk= 797, nxpk= 25, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 577, 578,
&end
#
# 38 ILE HA 38 ILE HG1- 4.50 (# 798:25 Preassigned 2.48, 3.11 A)
&rst
ixpk= 798, nxpk= 25, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 577, 578,
&end
#
# 39 PRO HA 30 ILE HG1- 5.50 (# 799:25 Preassigned 2.26, 2.93 A)
&rst
ixpk= 799, nxpk= 25, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 39 PRO HA 30 ILE HG1- 5.50 (# 800:25 Preassigned 2.26, 2.93 A)
&rst
ixpk= 800, nxpk= 25, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 0 AMB 25-3:801 29 ILE QG2 3.50 (# 801:25 Single Ambig)
&rst
ixpk= 801, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 596, 554, 569,
igr2= 438, 439, 440,
&end
#
# 38 ILE HA 38 ILE QG2 3.50 (# 802:25 Preassigned 2.41, 3.09 A)
&rst
ixpk= 802, nxpk= 25, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 573, 574, 575,
&end
#
# 37 GLU HA 38 ILE QD1 4.50 (# 803:25 Unique 2.49, 3.59 A)
&rst
ixpk= 803, nxpk= 25, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 580, 581, 582,
&end
#
# 57 ASP HA 59 VAL QG1 5.50 (# 804:25 Preassigned 5.27, 6.53 A)
&rst
ixpk= 804, nxpk= 25, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 913, 914, 915,
&end
#
# 36 MET HA 36 MET HG+ 4.50 (# 805:25 Preassigned 2.47, 3.00 A)
&rst
ixpk= 805, nxpk= 25, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 542, 543,
&end
#
# 36 MET HA 36 MET HB3 4.50 (# 806:25 Preassigned 2.53, 2.56 A)
&rst
ixpk= 806, nxpk= 25, iat= 537, 540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ALA HA 8 ALA QB 2.80 (# 807:25 Preassigned 2.44, 2.66 A)
&rst
ixpk= 807, nxpk= 25, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 102, 103, 104,
&end
#
# 8 ALA HA 5 ILE QG2 5.50 (# 808:25 Preassigned 4.35, 5.38 A)
&rst
ixpk= 808, nxpk= 25, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 8 ALA HA 59 VAL QG2 4.50 (# 809:25 Preassigned 3.84, 5.28 A)
&rst
ixpk= 809, nxpk= 25, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 917, 918, 919,
&end
#
# 8 ALA HA 0 AMB 25-1:810 5.50 (# 810:25 Single Ambig)
&rst
ixpk= 810, nxpk= 25, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 71 SER HA 71 SER QB 3.50 (# 811:25 Preassigned 2.33, 2.72 A)
&rst
ixpk= 811, nxpk= 25, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1088,1089,
&end
#
# 0 AMB 25-3:812 17 ALA HA 5.50 (# 812:25 Single Ambig)
&rst
ixpk= 812, nxpk= 25, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245, 284,
&end
#
# 20 ASP HA 20 ASP HB3 3.50 (# 813:25 Preassigned 3.04, 3.04 A)
&rst
ixpk= 813, nxpk= 25, iat= 284, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ASP HA 20 ASP HB2 3.50 (# 814:25 Preassigned 2.52, 2.53 A)
&rst
ixpk= 814, nxpk= 25, iat= 284, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 MET HA 36 MET HG- 4.50 (# 815:25 Preassigned 2.47, 3.00 A)
&rst
ixpk= 815, nxpk= 25, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 542, 543,
&end
#
# 27 GLU HA 27 GLU HG- 4.50 (# 816:25 Preassigned 2.44, 2.83 A)
&rst
ixpk= 816, nxpk= 25, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 398, 399,
&end
#
# 27 GLU HA 27 GLU HB+ 4.50 (# 817:25 Preassigned 2.33, 2.76 A)
&rst
ixpk= 817, nxpk= 25, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 395, 396,
&end
#
# 36 MET HA 36 MET HB2 4.50 (# 818:25 Preassigned 3.06, 3.06 A)
&rst
ixpk= 818, nxpk= 25, iat= 537, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HA 27 GLU HB- 4.50 (# 819:25 Preassigned 2.33, 2.76 A)
&rst
ixpk= 819, nxpk= 25, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 395, 396,
&end
#
# 27 GLU HA 27 GLU HG+ 4.50 (# 820:25 Preassigned 2.44, 2.83 A)
&rst
ixpk= 820, nxpk= 25, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 398, 399,
&end
#
# 20 ASP HA 21 GLN QB 5.50 (# 821:25 Preassigned 4.37, 4.52 A)
&rst
ixpk= 821, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 298, 299,
&end
#
# 20 ASP HA 21 GLN QB 5.50 (# 822:25 Preassigned 4.37, 4.52 A)
&rst
ixpk= 822, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 298, 299,
&end
#
# 17 LYS HA 17 LYS QB 2.80 (# 823:25 Preassigned 2.42, 2.46 A)
&rst
ixpk= 823, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 247, 248,
&end
#
# 0 AMB 25-3:824 16 LYS HG- 4.50 (# 824:25 Single Ambig)
&rst
ixpk= 824, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 284, 245,
igr2= 250, 251,
&end
#
# 17 LYS HA 18 ALA QB 4.50 (# 825:25 Preassigned 4.66, 5.24 A)
&rst
ixpk= 825, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 269, 270, 271,
&end
#
# 0 AMB 25-3:826 0 AMB 25-1:826 5.50 (# 826:25 Double Ambig)
&rst
ixpk= 826, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 284, 245,
igr2= 250, 251, 250, 251,
&end
#
# 27 GLU HA 28 VAL QG2 4.50 (# 827:25 Preassigned 3.43, 4.67 A)
&rst
ixpk= 827, nxpk= 25, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 416, 417, 418,
&end
#
# 27 GLU HA 41 VAL QG2 4.50 (# 828:25 Preassigned 5.11, 5.39 A)
&rst
ixpk= 828, nxpk= 25, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 629, 630, 631,
&end
#
# 17 LYS HA 51 VAL QG2 3.50 (# 829:25 Preassigned 2.35, 3.18 A)
&rst
ixpk= 829, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 781, 782, 783,
&end
#
# 27 GLU HA 41 VAL QG1 3.50 (# 830:25 Preassigned 2.04, 3.07 A)
&rst
ixpk= 830, nxpk= 25, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 625, 626, 627,
&end
#
# 17 LYS HA 16 VAL QG2 5.50 (# 831:25 Preassigned 3.82, 4.94 A)
&rst
ixpk= 831, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 237, 238, 239,
&end
#
# 20 ASP HA 22 ILE QG2 5.50 (# 832:25 Preassigned 5.69, 6.50 A)
&rst
ixpk= 832, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 27 GLU HA 28 VAL QG1 5.50 (# 833:25 Preassigned 4.02, 5.63 A)
&rst
ixpk= 833, nxpk= 25, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 412, 413, 414,
&end
#
# 0 AMB 25-3:834 0 AMB 25-1:834 5.50 (# 834:25 Double Ambig)
&rst
ixpk= 834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 284, 393,
igr2= 705, 706, 707, 606, 607, 608,
&end
#
# 17 LYS HA 48 VAL QG1 5.50 (# 835:25 Preassigned 3.89, 4.94 A)
&rst
ixpk= 835, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 54 LYS HA 54 LYS QB 2.80 (# 836:25 Preassigned 2.40, 2.46 A)
&rst
ixpk= 836, nxpk= 25, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 835, 836,
&end
#
# 0 AMB 25-3:837 0 AMB 25-1:837 4.50 (# 837:25 Double Ambig)
&rst
ixpk= 837, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 245, 284, 833,
igr2= 253, 254, 841, 842,
&end
#
# 54 LYS HA 54 LYS HG+ 4.50 (# 838:25 Preassigned 3.71, 3.81 A)
&rst
ixpk= 838, nxpk= 25, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 838, 839,
&end
#
# 54 LYS HA 54 LYS HG- 5.50 (# 839:25 Preassigned 3.71, 3.81 A)
&rst
ixpk= 839, nxpk= 25, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 838, 839,
&end
#
# 0 AMB 25-3:840 13 VAL QG1 4.50 (# 840:25 Single Ambig)
&rst
ixpk= 840, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 833, 245,
igr2= 200, 201, 202,
&end
#
# 13 LYS HA 55 GLU HA 5.50 (# 841:25 Unique 2.72, 3.07 A)
&rst
ixpk= 841, nxpk= 25, iat= 174, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HA 55 GLU HG+ 4.50 (# 842:25 Preassigned 2.08, 2.78 A)
&rst
ixpk= 842, nxpk= 25, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 860, 861,
&end
#
# 0 AMB 25-3:843 13 VAL HB 5.50 (# 843:25 Single Ambig)
&rst
ixpk= 843, nxpk= 25, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 833, 174,
&end
#
# 13 LYS HA 11 LEU QD+ 5.50 (# 844:25 Preassigned 5.12, 6.85 A)
&rst
ixpk= 844, nxpk= 25, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 54 LYS HA 11 LEU QD- 5.50 (# 845:25 Preassigned 3.94, 6.49 A)
&rst
ixpk= 845, nxpk= 25, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:846 13 VAL HA 5.50 (# 846:25 Single Ambig)
&rst
ixpk= 846, nxpk= 25, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 434,
&end
#
# 30 ILE HA 29 ALA HA 5.50 (# 847:25 Preassigned 4.57, 4.59 A)
&rst
ixpk= 847, nxpk= 25, iat= 434, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 VAL HA 4 SER HB2 5.50 (# 848:25 Preassigned 4.32, 4.36 A)
&rst
ixpk= 848, nxpk= 25, iat= 20, 38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ASP HA 63 ASP HB3 4.50 (# 849:25 Preassigned 3.04, 3.04 A)
&rst
ixpk= 849, nxpk= 25, iat= 961, 964, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ASP HA 63 ASP HB2 4.50 (# 850:25 Preassigned 2.55, 2.56 A)
&rst
ixpk= 850, nxpk= 25, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ASP HA 63 ASP HB2 4.50 (# 851:25 Preassigned 2.55, 2.56 A)
&rst
ixpk= 851, nxpk= 25, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HA 55 GLU HG- 4.50 (# 852:25 Preassigned 2.08, 2.78 A)
&rst
ixpk= 852, nxpk= 25, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 860, 861,
&end
#
# 13 LYS HA 55 GLU QB 4.50 (# 853:25 Preassigned 2.51, 3.73 A)
&rst
ixpk= 853, nxpk= 25, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 857, 858,
&end
#
# 30 ILE HA 30 ILE HB 5.50 (# 854:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 854, nxpk= 25, iat= 434, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HA 13 LYS HD+ 4.50 (# 855:25 Preassigned 2.18, 3.95 A)
&rst
ixpk= 855, nxpk= 25, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 182, 183,
&end
#
# 30 ILE HA 29 ALA QB 5.50 (# 856:25 Preassigned 4.41, 4.93 A)
&rst
ixpk= 856, nxpk= 25, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 426, 427, 428,
&end
#
# 30 ILE HA 30 ILE HG1+ 4.50 (# 857:25 Preassigned 2.51, 2.74 A)
&rst
ixpk= 857, nxpk= 25, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 442, 443,
&end
#
# 13 LYS HA 13 LYS HB3 4.50 (# 858:25 Preassigned 2.54, 2.56 A)
&rst
ixpk= 858, nxpk= 25, iat= 174, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HA 13 LYS HD- 4.50 (# 859:25 Preassigned 2.18, 3.95 A)
&rst
ixpk= 859, nxpk= 25, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 182, 183,
&end
#
# 13 LYS HA 13 LYS HB2 4.50 (# 860:25 Preassigned 3.05, 3.05 A)
&rst
ixpk= 860, nxpk= 25, iat= 174, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HA 30 ILE HG1- 4.50 (# 861:25 Preassigned 2.51, 2.74 A)
&rst
ixpk= 861, nxpk= 25, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 442, 443,
&end
#
# 0 AMB 25-3:862 29 ILE QD1 4.50 (# 862:25 Single Ambig)
&rst
ixpk= 862, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 434, 174,
igr2= 445, 446, 447,
&end
#
# 30 ILE HA 30 ILE QG2 3.50 (# 863:25 Preassigned 2.66, 3.28 A)
&rst
ixpk= 863, nxpk= 25, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 438, 439, 440,
&end
#
# 30 ILE HA 38 ILE QG2 5.50 (# 864:25 Preassigned 5.54, 6.63 A)
&rst
ixpk= 864, nxpk= 25, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 573, 574, 575,
&end
#
# 13 LYS HA 13 LYS HG- 5.50 (# 865:25 Preassigned 2.30, 2.97 A)
&rst
ixpk= 865, nxpk= 25, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 179, 180,
&end
#
# 30 ILE HA 40 ILE HA 5.50 (# 866:25 Preassigned 5.00, 5.09 A)
&rst
ixpk= 866, nxpk= 25, iat= 434, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:867 3 SER HB3 5.50 (# 867:25 Single Ambig)
&rst
ixpk= 867, nxpk= 25, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 961, 20,
&end
#
# 7 MET HA 61 GLU HA 4.50 (# 868:25 Preassigned 3.47, 3.65 A)
&rst
ixpk= 868, nxpk= 25, iat= 83, 939, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ARG HA 24 LYS HA 5.50 (# 869:25 Preassigned 3.05, 3.18 A)
&rst
ixpk= 869, nxpk= 25, iat= 659, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 VAL HA 53 LYS QE 4.50 (# 870:25 Preassigned 3.21, 3.90 A)
&rst
ixpk= 870, nxpk= 25, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 822, 823,
&end
#
# 0 AMB 25-3:871 0 AMB 25-1:871 5.50 (# 871:25 Double Ambig)
&rst
ixpk= 871, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 909, 961,
igr2= 927, 928, 927, 928,
&end
#
# 7 MET HA 7 MET QG 4.50 (# 872:25 Preassigned 2.54, 3.80 A)
&rst
ixpk= 872, nxpk= 25, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 88, 89,
&end
#
# 7 MET HA 61 GLU HG+ 4.50 (# 873:25 Preassigned 3.80, 4.50 A)
&rst
ixpk= 873, nxpk= 25, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 944, 945,
&end
#
# 59 VAL HA 59 VAL HB 3.50 (# 874:25 Preassigned 2.53, 2.55 A)
&rst
ixpk= 874, nxpk= 25, iat= 909, 911, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 MET HA 7 MET HB3 3.50 (# 875:25 Preassigned 2.38, 2.43 A)
&rst
ixpk= 875, nxpk= 25, iat= 83, 86, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 ARG HA 44 ARG HB2 3.50 (# 876:25 Preassigned 2.37, 2.46 A)
&rst
ixpk= 876, nxpk= 25, iat= 659, 661, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 MET HA 7 MET HB2 3.50 (# 877:25 Preassigned 2.43, 2.60 A)
&rst
ixpk= 877, nxpk= 25, iat= 83, 85, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 VAL HA 3 VAL HB 5.50 (# 878:25 Preassigned 3.01, 3.04 A)
&rst
ixpk= 878, nxpk= 25, iat= 20, 22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HA 61 GLU HB2 4.50 (# 879:25 Preassigned 2.33, 2.57 A)
&rst
ixpk= 879, nxpk= 25, iat= 83, 941, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ARG HA 42 ALA QB 5.50 (# 880:25 Preassigned 4.66, 5.47 A)
&rst
ixpk= 880, nxpk= 25, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 639, 640, 641,
&end
#
# 0 AMB 25-3:881 0 AMB 25-1:881 5.50 (# 881:25 Double Ambig)
&rst
ixpk= 881, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 659, 20,
igr2= 664, 665, 664, 665,
&end
#
# 0 AMB 25-3:882 0 AMB 25-1:882 5.50 (# 882:25 Double Ambig)
&rst
ixpk= 882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 659, 20,
igr2= 664, 665, 664, 665,
&end
#
# 44 ARG HA 24 LYS HB2 4.50 (# 884:25 Preassigned 2.24, 2.34 A)
&rst
ixpk= 884, nxpk= 25, iat= 659, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:885 43 ARG HG- 5.50 (# 885:25 Single Ambig)
&rst
ixpk= 885, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 659, 20,
igr2= 664, 665,
&end
#
# 0 AMB 25-3:887 0 AMB 25-1:887 3.50 (# 887:25 Double Ambig)
&rst
ixpk= 887, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 20, 961,
igr2= 24, 25, 26, 981, 982, 983,
&end
#
# 0 AMB 25-3:888 4 ILE QG2 5.50 (# 888:25 Single Ambig)
&rst
ixpk= 888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 83, 909,
igr2= 51, 52, 53,
&end
#
# 3 VAL HA 3 VAL QG2 3.50 (# 889:25 Preassigned 2.57, 3.26 A)
&rst
ixpk= 889, nxpk= 25, iat= 20, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 28, 29, 30,
&end
#
# 59 VAL HA 59 VAL QG1 2.80 (# 890:25 Preassigned 2.34, 2.98 A)
&rst
ixpk= 890, nxpk= 25, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 913, 914, 915,
&end
#
# 0 AMB 25-3:891 0 AMB 25-1:891 4.50 (# 891:25 Double Ambig)
&rst
ixpk= 891, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 909, 434,
igr2= 58, 59, 60, 613, 614, 615,
&end
#
# 59 VAL HA 59 VAL QG2 4.50 (# 892:25 Preassigned 3.73, 3.96 A)
&rst
ixpk= 892, nxpk= 25, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 917, 918, 919,
&end
#
# 0 AMB 25-3:893 67 LEU QD1 5.50 (# 893:25 Single Ambig)
&rst
ixpk= 893, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 20, 659,
igr2=1049,1050,1051,
&end
#
# 0 AMB 25-3:894 0 AMB 25-1:894 5.50 (# 894:25 Double Ambig)
&rst
ixpk= 894, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 83, 434,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 460, 461, 462, 464, 465, 466,
&end
#
# 44 ARG HA 45 SER HB3 7.00 (# 895:25 Preassigned 5.69, 5.74 A)
&rst
ixpk= 895, nxpk= 25, iat= 659, 686, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 44 ARG HA 45 SER HB2 5.50 (# 896:25 Preassigned 4.89, 4.93 A)
&rst
ixpk= 896, nxpk= 25, iat= 659, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HA 69 SER QB 3.50 (# 897:25 Preassigned 2.37, 2.73 A)
&rst
ixpk= 897, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1063,1064,
&end
#
# 0 AMB 25-3:899 43 ARG QD 5.50 (# 899:25 Single Ambig)
&rst
ixpk= 899, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 659, 20,
igr2= 667, 668,
&end
#
# 44 ARG HA 44 ARG HB3 3.50 (# 900:25 Preassigned 2.40, 2.45 A)
&rst
ixpk= 900, nxpk= 25, iat= 659, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:901 0 AMB 25-1:901 4.50 (# 901:25 Double Ambig)
&rst
ixpk= 901, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1061, 659,
igr2= 744, 745, 355, 356,
&end
#
# 69 SER HA 49 LYS HB2 5.50 (# 902:25 Preassigned 2.15, 2.83 A)
&rst
ixpk= 902, nxpk= 25, iat=1061, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HA 49 LYS HD- 5.50 (# 903:25 Preassigned 2.31, 3.77 A)
&rst
ixpk= 903, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 744, 745,
&end
#
# 44 ARG HA 24 LYS QG 4.50 (# 904:25 Preassigned 2.58, 3.69 A)
&rst
ixpk= 904, nxpk= 25, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 352, 353,
&end
#
# 44 ARG HA 24 LYS QG 5.50 (# 905:25 Preassigned 2.58, 3.69 A)
&rst
ixpk= 905, nxpk= 25, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 352, 353,
&end
#
# 19 GLY HA+ 47 ILE QG2 3.50 (# 908:25 Preassigned 2.59, 4.05 A)
&rst
ixpk= 908, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 277, 278,
igr2= 705, 706, 707,
&end
#
# 0 AMB 25-3:909 17 ALA HA 5.50 (# 909:25 Single Ambig)
&rst
ixpk= 909, nxpk= 25, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 758, 277, 278,
&end
#
# 50 GLU HA 50 GLU HB3 4.50 (# 910:25 Preassigned 3.04, 3.06 A)
&rst
ixpk= 910, nxpk= 25, iat= 758, 761, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLU HA 18 ALA QB 3.50 (# 911:25 Preassigned 2.52, 3.64 A)
&rst
ixpk= 911, nxpk= 25, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 269, 270, 271,
&end
#
# 6 GLN HA 5 ILE HA 5.50 (# 912:25 Preassigned 4.43, 4.46 A)
&rst
ixpk= 912, nxpk= 25, iat= 66, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLN HA 61 GLU HA 4.50 (# 913:25 Preassigned 2.32, 2.70 A)
&rst
ixpk= 913, nxpk= 25, iat= 66, 939, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 GLN HA 6 GLN HG+ 4.50 (# 914:25 Preassigned 2.54, 3.40 A)
&rst
ixpk= 914, nxpk= 25, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 71, 72,
&end
#
# 6 GLN HA 6 GLN HB+ 4.50 (# 915:25 Preassigned 2.29, 2.58 A)
&rst
ixpk= 915, nxpk= 25, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 68, 69,
&end
#
# 6 GLN HA 6 GLN HG- 4.50 (# 916:25 Preassigned 2.54, 3.40 A)
&rst
ixpk= 916, nxpk= 25, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 71, 72,
&end
#
# 6 GLN HA 6 GLN HG- 5.50 (# 917:25 Preassigned 2.54, 3.40 A)
&rst
ixpk= 917, nxpk= 25, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 71, 72,
&end
#
# 50 GLU HA 50 GLU HG+ 4.50 (# 918:25 Preassigned 2.32, 2.98 A)
&rst
ixpk= 918, nxpk= 25, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 763, 764,
&end
#
# 6 GLN HA 61 GLU HG+ 5.50 (# 919:25 Preassigned 2.52, 3.43 A)
&rst
ixpk= 919, nxpk= 25, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 944, 945,
&end
#
# 6 GLN HA 61 GLU HG+ 5.50 (# 920:25 Preassigned 2.52, 3.43 A)
&rst
ixpk= 920, nxpk= 25, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 944, 945,
&end
#
# 6 GLN HA 61 GLU HG- 5.50 (# 922:25 Preassigned 2.52, 3.43 A)
&rst
ixpk= 922, nxpk= 25, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 944, 945,
&end
#
# 6 GLN HA 6 GLN HB- 4.50 (# 923:25 Preassigned 2.29, 2.58 A)
&rst
ixpk= 923, nxpk= 25, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 68, 69,
&end
#
# 50 GLU HA 50 GLU HB2 4.50 (# 924:25 Preassigned 2.50, 2.55 A)
&rst
ixpk= 924, nxpk= 25, iat= 758, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLU HA 50 GLU HG- 5.50 (# 925:25 Preassigned 2.32, 2.98 A)
&rst
ixpk= 925, nxpk= 25, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 763, 764,
&end
#
# 6 GLN HA 5 ILE QG2 5.50 (# 926:25 Preassigned 4.05, 5.21 A)
&rst
ixpk= 926, nxpk= 25, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 50 GLU HA 51 VAL QG2 4.50 (# 928:25 Preassigned 3.45, 4.51 A)
&rst
ixpk= 928, nxpk= 25, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 781, 782, 783,
&end
#
# 50 GLU HA 48 VAL QG1 4.50 (# 929:25 Preassigned 3.34, 4.42 A)
&rst
ixpk= 929, nxpk= 25, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 724, 725, 726,
&end
#
# 72 THR HA 72 THR HB 3.50 (# 930:25 Preassigned 2.55, 2.80 A)
&rst
ixpk= 930, nxpk= 25, iat=1097,1099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HA 69 SER QB 5.50 (# 931:25 Preassigned 4.36, 5.34 A)
&rst
ixpk= 931, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1064,
&end
#
# 72 THR HA 72 THR QG2 4.50 (# 932:25 Preassigned 2.37, 3.05 A)
&rst
ixpk= 932, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1101,1102,1103,
&end
#
# 49 LYS HA 48 VAL HA 5.50 (# 933:25 Preassigned 4.45, 4.49 A)
&rst
ixpk= 933, nxpk= 25, iat= 736, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HA 49 LYS HD+ 5.50 (# 934:25 Preassigned 2.29, 4.43 A)
&rst
ixpk= 934, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 744, 745,
&end
#
# 49 LYS HA 49 LYS HB2 3.50 (# 935:25 Preassigned 2.40, 2.48 A)
&rst
ixpk= 935, nxpk= 25, iat= 736, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 LEU HA 65 LEU HB3 4.50 (# 936:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 936, nxpk= 25, iat= 989, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LYS HA 49 LYS HB3 4.50 (# 937:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 937, nxpk= 25, iat= 736, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LYS HA 49 LYS HG+ 4.50 (# 938:25 Preassigned 2.40, 2.90 A)
&rst
ixpk= 938, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 741, 742,
&end
#
# 65 LEU HA 0 AMB 25-1:939 5.50 (# 939:25 Single Ambig)
&rst
ixpk= 939, nxpk= 25, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 994, 55, 56,
&end
#
# 65 LEU HA 53 LYS HB2 5.50 (# 940:25 Preassigned 2.93, 3.17 A)
&rst
ixpk= 940, nxpk= 25, iat= 989, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HA 49 LYS HG- 4.50 (# 941:25 Preassigned 2.40, 2.90 A)
&rst
ixpk= 941, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 741, 742,
&end
#
# 65 LEU HA 65 LEU HB2 4.50 (# 942:25 Preassigned 2.42, 2.49 A)
&rst
ixpk= 942, nxpk= 25, iat= 989, 991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HA 53 LYS HG- 5.50 (# 943:25 Preassigned 2.43, 2.73 A)
&rst
ixpk= 943, nxpk= 25, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 816, 817,
&end
#
# 65 LEU HA 65 LEU QD+ 2.80 (# 944:25 Preassigned 2.26, 3.88 A)
&rst
ixpk= 944, nxpk= 25, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 65 LEU HA 65 LEU QD- 5.50 (# 945:25 Preassigned 2.26, 3.88 A)
&rst
ixpk= 945, nxpk= 25, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 62 GLY HA+ 4 SER HB2 5.50 (# 946:25 Preassigned 3.13, 4.19 A)
&rst
ixpk= 946, nxpk= 25, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 954, 955,
&end
#
# 25 GLY HA+ 24 LYS HA 5.50 (# 947:25 Preassigned 4.38, 4.43 A)
&rst
ixpk= 947, nxpk= 25, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 369, 370,
&end
#
# 11 LEU HA 11 LEU HB3 4.50 (# 948:25 Preassigned 2.68, 2.98 A)
&rst
ixpk= 948, nxpk= 25, iat= 131, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HA 29 ALA QB 5.50 (# 949:25 Preassigned 4.59, 5.67 A)
&rst
ixpk= 949, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 426, 427, 428,
&end
#
# 11 LEU HA 11 LEU HG 5.50 (# 951:25 Preassigned 2.56, 2.88 A)
&rst
ixpk= 951, nxpk= 25, iat= 131, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:953 58 VAL QG1 5.50 (# 953:25 Single Ambig)
&rst
ixpk= 953, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 131, 989,
igr2= 913, 914, 915,
&end
#
# 25 GLY HA+ 41 VAL QG1 4.50 (# 954:25 Preassigned 3.64, 5.12 A)
&rst
ixpk= 954, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 369, 370,
igr2= 625, 626, 627,
&end
#
# 11 LEU HA 59 VAL QG2 5.50 (# 955:25 Preassigned 3.07, 3.82 A)
&rst
ixpk= 955, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 49 LYS HA 48 VAL QG1 4.50 (# 956:25 Preassigned 4.54, 5.57 A)
&rst
ixpk= 956, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 724, 725, 726,
&end
#
# 11 LEU HA 11 LEU QD+ 3.50 (# 957:25 Preassigned 2.12, 3.75 A)
&rst
ixpk= 957, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU HA 11 LEU QD- 4.50 (# 958:25 Preassigned 2.12, 3.75 A)
&rst
ixpk= 958, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU HA 0 AMB 25-1:959 4.50 (# 959:25 Single Ambig)
&rst
ixpk= 959, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 11 LEU HA 32 GLU HB3 5.50 (# 960:25 Preassigned 5.02, 5.29 A)
&rst
ixpk= 960, nxpk= 25, iat= 131, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLY HA+ 41 VAL HB 4.50 (# 961:25 Preassigned 2.41, 3.33 A)
&rst
ixpk= 961, nxpk= 25, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 369, 370,
&end
#
# 40 ILE HA 40 ILE HB 4.50 (# 962:25 Preassigned 3.03, 3.04 A)
&rst
ixpk= 962, nxpk= 25, iat= 602, 604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 VAL HA 66 LEU HB3 5.50 (# 963:25 Preassigned 2.40, 2.67 A)
&rst
ixpk= 963, nxpk= 25, iat= 773,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:964 0 AMB 25-1:964 4.50 (# 964:25 Double Ambig)
&rst
ixpk= 964, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 602, 131,
igr2= 610, 611, 610, 611,
&end
#
# 0 AMB 25-3:965 39 ILE HG1- 4.50 (# 965:25 Single Ambig)
&rst
ixpk= 965, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 602, 131,
igr2= 610, 611,
&end
#
# 51 VAL HA 14 VAL QG1 5.50 (# 966:25 Preassigned 5.39, 6.29 A)
&rst
ixpk= 966, nxpk= 25, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 200, 201, 202,
&end
#
# 40 ILE HA 38 ILE QG2 5.50 (# 967:25 Preassigned 4.74, 6.05 A)
&rst
ixpk= 967, nxpk= 25, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 573, 574, 575,
&end
#
# 25 GLY HA+ 41 VAL QG2 4.50 (# 968:25 Preassigned 2.57, 4.29 A)
&rst
ixpk= 968, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 369, 370,
igr2= 629, 630, 631,
&end
#
# 51 VAL HA 51 VAL QG2 2.80 (# 969:25 Preassigned 2.62, 3.27 A)
&rst
ixpk= 969, nxpk= 25, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 781, 782, 783,
&end
#
# 40 ILE HA 40 ILE QD1 3.50 (# 970:25 Preassigned 2.28, 3.17 A)
&rst
ixpk= 970, nxpk= 25, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 613, 614, 615,
&end
#
# 40 ILE HA 40 ILE QG2 3.50 (# 972:25 Preassigned 2.53, 3.21 A)
&rst
ixpk= 972, nxpk= 25, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 606, 607, 608,
&end
#
# 72 THR HB 72 THR HA 3.50 (# 973:25 Preassigned 2.55, 2.80 A)
&rst
ixpk= 973, nxpk= 25, iat=1099,1097, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 LYS HA 52 LYS HE- 5.50 (# 974:25 Preassigned 2.49, 4.25 A)
&rst
ixpk= 974, nxpk= 25, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 800, 801,
&end
#
# 52 LYS HA 52 LYS HE+ 5.50 (# 975:25 Preassigned 2.49, 4.25 A)
&rst
ixpk= 975, nxpk= 25, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 800, 801,
&end
#
# 52 LYS HA 52 LYS HB3 3.50 (# 976:25 Preassigned 2.41, 2.46 A)
&rst
ixpk= 976, nxpk= 25, iat= 789, 792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:977 49 GLU HG- 5.50 (# 977:25 Single Ambig)
&rst
ixpk= 977, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 789, 773,
igr2= 763, 764,
&end
#
# 51 VAL HA 52 LYS HB2 4.50 (# 978:25 Preassigned 4.40, 4.52 A)
&rst
ixpk= 978, nxpk= 25, iat= 773, 791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 VAL HA 66 LEU HB2 5.50 (# 979:25 Preassigned 2.42, 2.78 A)
&rst
ixpk= 979, nxpk= 25, iat= 773,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 LYS HA 52 LYS QD 3.50 (# 980:25 Preassigned 2.27, 2.87 A)
&rst
ixpk= 980, nxpk= 25, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 797, 798,
&end
#
# 51 VAL HA 52 LYS HG- 4.50 (# 981:25 Preassigned 3.19, 4.29 A)
&rst
ixpk= 981, nxpk= 25, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 794, 795,
&end
#
# 0 AMB 25-3:982 0 AMB 25-1:982 4.50 (# 982:25 Double Ambig)
&rst
ixpk= 982, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 789, 773,
igr2= 794, 795, 794, 795,
&end
#
# 51 VAL HA 66 LEU QD+ 5.50 (# 983:25 Preassigned 4.33, 5.53 A)
&rst
ixpk= 983, nxpk= 25, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 72 THR HB 72 THR QG2 4.50 (# 984:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 984, nxpk= 25, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1101,1102,1103,
&end
#
# 0 AMB 25-3:985 26 GLU HA 5.50 (# 985:25 Single Ambig)
&rst
ixpk= 985, nxpk= 25, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 376, 637,
&end
#
# 42 ALA HA 42 ALA QB 2.80 (# 986:25 Preassigned 2.39, 2.67 A)
&rst
ixpk= 986, nxpk= 25, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 639, 640, 641,
&end
#
# 42 ALA HA 3 VAL QG1 4.50 (# 987:25 Preassigned 2.20, 3.26 A)
&rst
ixpk= 987, nxpk= 25, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 24, 25, 26,
&end
#
# 42 ALA HA 28 VAL QG2 5.50 (# 988:25 Preassigned 2.57, 3.62 A)
&rst
ixpk= 988, nxpk= 25, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 416, 417, 418,
&end
#
# 42 ALA HA 3 VAL QG2 4.50 (# 989:25 Preassigned 2.80, 4.10 A)
&rst
ixpk= 989, nxpk= 25, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 28, 29, 30,
&end
#
# 26 GLN HA 41 VAL QG1 5.50 (# 990:25 Unique 4.11, 5.33 A)
&rst
ixpk= 990, nxpk= 25, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 625, 626, 627,
&end
#
# 0 AMB 25-3:991 27 VAL QG1 5.50 (# 991:25 Single Ambig)
&rst
ixpk= 991, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 637, 376,
igr2= 412, 413, 414,
&end
#
# 42 ALA HA 22 ILE QD1 5.50 (# 992:25 Preassigned 2.91, 4.06 A)
&rst
ixpk= 992, nxpk= 25, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 324, 325, 326,
&end
#
# 26 GLN HA 26 GLN HG- 4.50 (# 993:25 Preassigned 2.47, 2.83 A)
&rst
ixpk= 993, nxpk= 25, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 381, 382,
&end
#
# 26 GLN HA 26 GLN HB2 4.50 (# 994:25 Preassigned 2.52, 2.57 A)
&rst
ixpk= 994, nxpk= 25, iat= 376, 378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 GLN HA 26 GLN HG+ 4.50 (# 995:25 Preassigned 2.47, 2.83 A)
&rst
ixpk= 995, nxpk= 25, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 381, 382,
&end
#
# 26 GLN HA 26 GLN HB3 4.50 (# 996:25 Preassigned 3.03, 3.05 A)
&rst
ixpk= 996, nxpk= 25, iat= 376, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ALA HA 22 ILE QG2 5.50 (# 997:25 Preassigned 5.08, 6.36 A)
&rst
ixpk= 997, nxpk= 25, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 73 GLN HA 73 GLN HB- 5.50 (# 1001:25 Preassigned 2.39, 2.70 A)
&rst
ixpk= 1001, nxpk= 25, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1113,1114,
&end
#
# 46 GLY HA+ 68 LEU QD1 4.50 (# 1002:25 Preassigned 2.24, 4.42 A)
&rst
ixpk= 1002, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 694, 695,
igr2=1049,1050,1051,
&end
#
# 46 GLY HA+ 68 LEU QD2 4.50 (# 1003:25 Preassigned 2.60, 4.66 A)
&rst
ixpk= 1003, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 694, 695,
igr2=1053,1054,1055,
&end
#
# 2 THR HB 2 THR QG2 4.50 (# 1004:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 1004, nxpk= 25, iat= 8, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 10, 11, 12,
&end
#
# 9 GLY HA+ 33 SER HB2 5.50 (# 1009:25 Preassigned 2.13, 2.59 A)
&rst
ixpk= 1009, nxpk= 25, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 110, 111,
&end
#
# 9 GLY HA+ 31 LEU HG 5.50 (# 1011:25 Preassigned 4.09, 5.07 A)
&rst
ixpk= 1011, nxpk= 25, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 110, 111,
&end
#
# 0 AMB 25-3:1012 0 AMB 25-1:1012 4.50 (# 1012:25 Double Ambig)
&rst
ixpk= 1012, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 110, 111, 110, 111,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 0 AMB 25-3:1013 32 SER HB3 5.50 (# 1013:25 Single Ambig)
&rst
ixpk= 1013, nxpk= 25, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 110, 111, 498,
&end
#
# 34 MET HA 34 MET HG+ 5.50 (# 1014:25 Preassigned 2.51, 3.33 A)
&rst
ixpk= 1014, nxpk= 25, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 503, 504,
&end
#
# 34 MET HA 34 MET HG- 4.50 (# 1015:25 Preassigned 2.51, 3.33 A)
&rst
ixpk= 1015, nxpk= 25, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 503, 504,
&end
#
# 34 MET HA 34 MET QB 3.50 (# 1016:25 Preassigned 2.34, 2.60 A)
&rst
ixpk= 1016, nxpk= 25, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 500, 501,
&end
#
# 14 VAL HA 13 LYS HA 5.50 (# 1018:25 Preassigned 4.52, 4.56 A)
&rst
ixpk= 1018, nxpk= 25, iat= 196, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1019 43 ARG HA 5.50 (# 1019:25 Single Ambig)
&rst
ixpk= 1019, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 686, 694, 695,
&end
#
# 14 VAL HA 14 VAL HB 4.50 (# 1022:25 Preassigned 3.05, 3.06 A)
&rst
ixpk= 1022, nxpk= 25, iat= 196, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 VAL HA 51 VAL QG1 5.50 (# 1023:25 Preassigned 5.96, 6.60 A)
&rst
ixpk= 1023, nxpk= 25, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 777, 778, 779,
&end
#
# 14 VAL HA 14 VAL QG2 3.50 (# 1024:25 Preassigned 2.45, 3.15 A)
&rst
ixpk= 1024, nxpk= 25, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 204, 205, 206,
&end
#
# 14 VAL HA 16 VAL QG2 5.50 (# 1025:25 Preassigned 4.46, 5.50 A)
&rst
ixpk= 1025, nxpk= 25, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 237, 238, 239,
&end
#
# 46 GLY HA- 68 LEU QD1 5.50 (# 1026:25 Preassigned 2.24, 4.42 A)
&rst
ixpk= 1026, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 694, 695,
igr2=1049,1050,1051,
&end
#
# 46 GLY HA- 68 LEU QD2 5.50 (# 1027:25 Preassigned 2.60, 4.66 A)
&rst
ixpk= 1027, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 694, 695,
igr2=1053,1054,1055,
&end
#
# 5 ILE HA 6 GLN HA 5.50 (# 1028:25 Preassigned 4.43, 4.46 A)
&rst
ixpk= 1028, nxpk= 25, iat= 47, 66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HA 29 ALA QB 2.80 (# 1029:25 Preassigned 2.46, 2.68 A)
&rst
ixpk= 1029, nxpk= 25, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 426, 427, 428,
&end
#
# 29 ALA HA 30 ILE HG1+ 4.50 (# 1030:25 Preassigned 3.65, 4.46 A)
&rst
ixpk= 1030, nxpk= 25, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 442, 443,
&end
#
# 29 ALA HA 30 ILE HG1- 4.50 (# 1031:25 Preassigned 3.65, 4.46 A)
&rst
ixpk= 1031, nxpk= 25, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 442, 443,
&end
#
# 0 AMB 25-3:1032 0 AMB 25-1:1032 5.50 (# 1032:25 Double Ambig)
&rst
ixpk= 1032, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 47, 196,
igr2= 24, 25, 26, 233, 234, 235,
&end
#
# 5 ILE HA 5 ILE QG2 3.50 (# 1033:25 Preassigned 2.47, 3.15 A)
&rst
ixpk= 1033, nxpk= 25, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 51, 52, 53,
&end
#
# 5 ILE HA 0 AMB 25-1:1035 4.50 (# 1035:25 Single Ambig)
&rst
ixpk= 1035, nxpk= 25, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 58, 59, 60, 613, 614, 615,
&end
#
# 29 ALA HA 28 VAL QG1 7.00 (# 1037:25 Preassigned 4.47, 6.25 A)
&rst
ixpk= 1037, nxpk= 25, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 412, 413, 414,
&end
#
# 5 ILE HA 40 ILE QG2 4.50 (# 1038:25 Preassigned 3.01, 3.98 A)
&rst
ixpk= 1038, nxpk= 25, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 606, 607, 608,
&end
#
# 0 AMB 25-3:1039 0 AMB 25-1:1039 5.50 (# 1039:25 Double Ambig)
&rst
ixpk= 1039, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 196, 47,
igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
143, 144,
&end
#
# 5 ILE HA 59 VAL QG2 5.50 (# 1040:25 Preassigned 5.71, 6.71 A)
&rst
ixpk= 1040, nxpk= 25, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 9 GLY HA- 8 ALA QB 5.50 (# 1041:25 Preassigned 4.24, 5.20 A)
&rst
ixpk= 1041, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 110, 111,
igr2= 102, 103, 104,
&end
#
# 29 ALA HA 30 ILE QG2 5.50 (# 1042:25 Preassigned 6.57, 6.67 A)
&rst
ixpk= 1042, nxpk= 25, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 438, 439, 440,
&end
#
# 9 GLY HA- 31 LEU HG 5.50 (# 1043:25 Preassigned 4.09, 5.07 A)
&rst
ixpk= 1043, nxpk= 25, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 110, 111,
&end
#
# 9 GLY HA- 0 AMB 25-1:1044 4.50 (# 1044:25 Single Ambig)
&rst
ixpk= 1044, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 110, 111,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 39 PRO HD+ 38 ILE HA 2.80 (# 1045:25 Preassigned 2.13, 2.40 A)
&rst
ixpk= 1045, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 587, 588,
&end
#
# 39 PRO HD+ 39 PRO HB+ 5.50 (# 1046:25 Preassigned 2.87, 3.70 A)
&rst
ixpk= 1046, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 587, 588,
igr2= 593, 594,
&end
#
# 39 PRO HD+ 39 PRO HG+ 4.50 (# 1047:25 Preassigned 2.33, 2.61 A)
&rst
ixpk= 1047, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 587, 588,
igr2= 590, 591,
&end
#
# 39 PRO HD+ 39 PRO HG- 3.50 (# 1048:25 Preassigned 2.33, 2.61 A)
&rst
ixpk= 1048, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 587, 588,
igr2= 590, 591,
&end
#
# 39 PRO HD+ 39 PRO HB- 5.50 (# 1049:25 Preassigned 2.87, 3.70 A)
&rst
ixpk= 1049, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 587, 588,
igr2= 593, 594,
&end
#
# 39 PRO HD+ 38 ILE QG2 4.50 (# 1050:25 Preassigned 2.35, 3.72 A)
&rst
ixpk= 1050, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 587, 588,
igr2= 573, 574, 575,
&end
#
# 0 AMB 25-3:1051 37 ILE QD1 5.50 (# 1051:25 Single Ambig)
&rst
ixpk= 1051, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 110, 111, 587, 588,
igr2= 580, 581, 582,
&end
#
# 71 SER QB 71 SER HA 3.50 (# 1052:25 Preassigned 2.33, 2.72 A)
&rst
ixpk= 1052, nxpk= 25, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1088,1089,
&end
#
# 64 VAL HA 0 AMB 25-1:1056 4.50 (# 1056:25 Single Ambig)
&rst
ixpk= 1056, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 39, 38,
&end
#
# 64 VAL HA 0 AMB 25-1:1057 4.50 (# 1057:25 Single Ambig)
&rst
ixpk= 1057, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 39, 38,
&end
#
# 64 VAL HA 64 VAL HB 4.50 (# 1058:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 1058, nxpk= 25, iat= 973, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 VAL HA 64 VAL QG2 3.50 (# 1059:25 Preassigned 2.48, 3.18 A)
&rst
ixpk= 1059, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 981, 982, 983,
&end
#
# 69 SER QB 69 SER HA 3.50 (# 1061:25 Preassigned 2.37, 2.73 A)
&rst
ixpk= 1061, nxpk= 25, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1063,1064,
&end
#
# 69 SER QB 49 LYS HA 5.50 (# 1062:25 Preassigned 4.36, 5.34 A)
&rst
ixpk= 1062, nxpk= 25, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 69 SER QB 49 LYS HB2 5.50 (# 1063:25 Preassigned 3.48, 4.26 A)
&rst
ixpk= 1063, nxpk= 25, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 69 SER QB 47 ILE HB 4.50 (# 1064:25 Preassigned 2.26, 3.12 A)
&rst
ixpk= 1064, nxpk= 25, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1063,1064,
&end
#
# 69 SER QB 49 LYS HB2 5.50 (# 1065:25 Preassigned 3.48, 4.26 A)
&rst
ixpk= 1065, nxpk= 25, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 69 SER QB 49 LYS HB3 5.50 (# 1066:25 Preassigned 5.19, 5.92 A)
&rst
ixpk= 1066, nxpk= 25, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 69 SER QB 49 LYS HB3 5.50 (# 1067:25 Preassigned 5.19, 5.92 A)
&rst
ixpk= 1067, nxpk= 25, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 69 SER QB 47 ILE QG2 4.50 (# 1068:25 Preassigned 2.72, 4.98 A)
&rst
ixpk= 1068, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1063,1064,
igr2= 705, 706, 707,
&end
#
# 39 PRO HD- 38 ILE HA 2.80 (# 1069:25 Preassigned 2.13, 2.40 A)
&rst
ixpk= 1069, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 587, 588,
&end
#
# 39 PRO HD- 39 PRO HB+ 5.50 (# 1070:25 Preassigned 2.87, 3.70 A)
&rst
ixpk= 1070, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 587, 588,
igr2= 593, 594,
&end
#
# 39 PRO HD- 39 PRO HG+ 3.50 (# 1071:25 Preassigned 2.33, 2.61 A)
&rst
ixpk= 1071, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 587, 588,
igr2= 590, 591,
&end
#
# 39 PRO HD- 39 PRO HG- 4.50 (# 1072:25 Preassigned 2.33, 2.61 A)
&rst
ixpk= 1072, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 587, 588,
igr2= 590, 591,
&end
#
# 39 PRO HD- 39 PRO HB- 4.50 (# 1073:25 Preassigned 2.87, 3.70 A)
&rst
ixpk= 1073, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 587, 588,
igr2= 593, 594,
&end
#
# 39 PRO HD- 38 ILE QG2 4.50 (# 1074:25 Preassigned 2.35, 3.72 A)
&rst
ixpk= 1074, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 587, 588,
igr2= 573, 574, 575,
&end
#
# 39 PRO HD- 38 ILE QD1 5.50 (# 1075:25 Preassigned 5.93, 6.59 A)
&rst
ixpk= 1075, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 587, 588,
igr2= 580, 581, 582,
&end
#
# 56 GLY HA- 55 GLU HA 4.50 (# 1077:25 Preassigned 4.35, 4.43 A)
&rst
ixpk= 1077, nxpk= 25, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 870, 871,
&end
#
# 48 VAL HA 48 VAL QG2 3.50 (# 1078:25 Preassigned 2.49, 3.15 A)
&rst
ixpk= 1078, nxpk= 25, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 728, 729, 730,
&end
#
# 48 VAL HA 66 LEU QD- 5.50 (# 1080:25 Preassigned 2.88, 4.95 A)
&rst
ixpk= 1080, nxpk= 25, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 48 VAL HA 68 LEU QD1 7.00 (# 1081:25 Preassigned 5.16, 5.78 A)
&rst
ixpk= 1081, nxpk= 25, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1049,1050,1051,
&end
#
# 48 VAL HA 68 LEU QD2 3.50 (# 1082:25 Preassigned 1.98, 2.85 A)
&rst
ixpk= 1082, nxpk= 25, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1053,1054,1055,
&end
#
# 48 VAL HA 49 LYS HA 5.50 (# 1083:25 Preassigned 4.45, 4.49 A)
&rst
ixpk= 1083, nxpk= 25, iat= 720, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 SER HB2 9 GLY HA+ 5.50 (# 1084:25 Preassigned 2.13, 2.59 A)
&rst
ixpk= 1084, nxpk= 25, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 33 SER HB2 9 GLY HA- 5.50 (# 1085:25 Preassigned 2.13, 2.59 A)
&rst
ixpk= 1085, nxpk= 25, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 48 VAL HA 68 LEU HG 5.50 (# 1086:25 Preassigned 4.02, 4.31 A)
&rst
ixpk= 1086, nxpk= 25, iat= 720,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 VAL HA 68 LEU HG 5.50 (# 1087:25 Preassigned 4.02, 4.31 A)
&rst
ixpk= 1087, nxpk= 25, iat= 720,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 SER HB2 38 ILE QD1 4.50 (# 1090:25 Preassigned 3.94, 4.75 A)
&rst
ixpk= 1090, nxpk= 25, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 580, 581, 582,
&end
#
# 48 VAL HA 47 ILE QG2 5.50 (# 1092:25 Preassigned 4.44, 5.31 A)
&rst
ixpk= 1092, nxpk= 25, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 705, 706, 707,
&end
#
# 33 SER HB2 31 LEU HG 5.50 (# 1093:25 Preassigned 4.41, 4.49 A)
&rst
ixpk= 1093, nxpk= 25, iat= 489, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 SER HB2 0 AMB 25-1:1094 5.50 (# 1094:25 Single Ambig)
&rst
ixpk= 1094, nxpk= 25, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 35 LYS HA 34 MET HA 5.50 (# 1095:25 Preassigned 4.69, 4.84 A)
&rst
ixpk= 1095, nxpk= 25, iat= 515, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ALA HA 48 VAL HB 3.50 (# 1096:25 Preassigned 2.87, 3.09 A)
&rst
ixpk= 1096, nxpk= 25, iat= 267, 722, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 LYS HA 35 LYS HB2 4.50 (# 1097:25 Preassigned 3.04, 3.04 A)
&rst
ixpk= 1097, nxpk= 25, iat= 515, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1098 0 AMB 25-1:1098 5.50 (# 1098:25 Double Ambig)
&rst
ixpk= 1098, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 515, 489, 267,
igr2= 477, 478, 763, 764,
&end
#
# 35 LYS HA 35 LYS HB3 3.50 (# 1099:25 Preassigned 2.44, 2.45 A)
&rst
ixpk= 1099, nxpk= 25, iat= 515, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1100 0 AMB 25-1:1100 4.50 (# 1100:25 Double Ambig)
&rst
ixpk= 1100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 515, 489,
igr2= 477, 478, 477, 478,
&end
#
# 35 LYS HA 35 LYS HD+ 5.50 (# 1101:25 Preassigned 2.28, 4.05 A)
&rst
ixpk= 1101, nxpk= 25, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 523, 524,
&end
#
# 35 LYS HA 35 LYS HD- 5.50 (# 1102:25 Preassigned 2.28, 4.05 A)
&rst
ixpk= 1102, nxpk= 25, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 523, 524,
&end
#
# 35 LYS HA 35 LYS HG+ 4.50 (# 1103:25 Preassigned 2.46, 3.02 A)
&rst
ixpk= 1103, nxpk= 25, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 520, 521,
&end
#
# 35 LYS HA 35 LYS HG- 4.50 (# 1104:25 Preassigned 2.46, 3.02 A)
&rst
ixpk= 1104, nxpk= 25, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 520, 521,
&end
#
# 18 ALA HA 51 VAL QG2 4.50 (# 1105:25 Preassigned 3.31, 4.42 A)
&rst
ixpk= 1105, nxpk= 25, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 781, 782, 783,
&end
#
# 0 AMB 25-3:1106 47 VAL QG1 2.80 (# 1106:25 Single Ambig)
&rst
ixpk= 1106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 267, 720,
igr2= 724, 725, 726,
&end
#
# 18 ALA HA 18 ALA QB 2.80 (# 1108:25 Preassigned 2.45, 2.66 A)
&rst
ixpk= 1108, nxpk= 25, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 269, 270, 271,
&end
#
# 55 GLU HA 56 GLY HA- 4.50 (# 1110:25 Preassigned 4.35, 4.43 A)
&rst
ixpk= 1110, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 870, 871,
&end
#
# 55 GLU HA 55 GLU HG+ 4.50 (# 1111:25 Preassigned 2.48, 2.99 A)
&rst
ixpk= 1111, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 860, 861,
&end
#
# 55 GLU HA 55 GLU HG- 4.50 (# 1112:25 Preassigned 2.48, 2.99 A)
&rst
ixpk= 1112, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 860, 861,
&end
#
# 55 GLU HA 55 GLU QB 3.50 (# 1113:25 Preassigned 2.40, 2.75 A)
&rst
ixpk= 1113, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 857, 858,
&end
#
# 55 GLU HA 11 LEU HB3 5.50 (# 1114:25 Preassigned 2.64, 3.60 A)
&rst
ixpk= 1114, nxpk= 25, iat= 855, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HA 11 LEU HB2 5.50 (# 1115:25 Preassigned 3.45, 5.17 A)
&rst
ixpk= 1115, nxpk= 25, iat= 855, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HA 11 LEU HG 7.00 (# 1116:25 Preassigned 3.63, 4.32 A)
&rst
ixpk= 1116, nxpk= 25, iat= 855, 136, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 55 GLU HA 14 VAL QG2 4.50 (# 1117:25 Preassigned 2.50, 3.94 A)
&rst
ixpk= 1117, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 204, 205, 206,
&end
#
# 55 GLU HA 11 LEU QD+ 5.50 (# 1118:25 Preassigned 3.89, 5.82 A)
&rst
ixpk= 1118, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 55 GLU HA 11 LEU QD- 5.50 (# 1119:25 Preassigned 3.89, 5.82 A)
&rst
ixpk= 1119, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:1122 63 VAL HA 5.50 (# 1122:25 Single Ambig)
&rst
ixpk= 1122, nxpk= 25, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 39, 38,
&end
#
# 0 AMB 25-3:1123 60 GLU HA 4.50 (# 1123:25 Single Ambig)
&rst
ixpk= 1123, nxpk= 25, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 954, 955, 39, 38,
&end
#
# 0 AMB 25-3:1124 0 AMB 25-1:1124 5.50 (# 1124:25 Double Ambig)
&rst
ixpk= 1124, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 39, 38, 954, 955,
igr2= 981, 982, 983, 24, 25, 26,
&end
#
# 0 AMB 25-3:1125 0 AMB 25-1:1125 5.50 (# 1125:25 Double Ambig)
&rst
ixpk= 1125, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 490, 38,
igr2= 577, 578, 55, 56,
&end
#
# 33 SER HB3 38 ILE QD1 4.50 (# 1126:25 Preassigned 2.79, 3.68 A)
&rst
ixpk= 1126, nxpk= 25, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 580, 581, 582,
&end
#
# 33 SER HB3 31 LEU HG 5.50 (# 1127:25 Preassigned 4.95, 5.01 A)
&rst
ixpk= 1127, nxpk= 25, iat= 490, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLY HA- 41 VAL HB 5.50 (# 1128:25 Preassigned 2.41, 3.33 A)
&rst
ixpk= 1128, nxpk= 25, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 369, 370,
&end
#
# 25 GLY HA- 41 VAL QG2 5.50 (# 1129:25 Preassigned 2.57, 4.29 A)
&rst
ixpk= 1129, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 369, 370,
igr2= 629, 630, 631,
&end
#
# 25 GLY HA- 41 VAL QG1 3.50 (# 1130:25 Preassigned 3.64, 5.12 A)
&rst
ixpk= 1130, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 369, 370,
igr2= 625, 626, 627,
&end
#
# 19 GLY HA- 18 ALA HA 4.50 (# 1131:25 Preassigned 4.42, 4.48 A)
&rst
ixpk= 1131, nxpk= 25, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 277, 278,
&end
#
# 19 GLY HA- 18 ALA QB 5.50 (# 1132:25 Preassigned 4.53, 5.31 A)
&rst
ixpk= 1132, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 277, 278,
igr2= 269, 270, 271,
&end
#
# 19 GLY HA- 47 ILE QG2 4.50 (# 1133:25 Preassigned 2.59, 4.05 A)
&rst
ixpk= 1133, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 277, 278,
igr2= 705, 706, 707,
&end
#
# 61 GLU HA 6 GLN HA 4.50 (# 1134:25 Preassigned 2.32, 2.70 A)
&rst
ixpk= 1134, nxpk= 25, iat= 939, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLU HA 61 GLU HG+ 4.50 (# 1135:25 Preassigned 2.52, 2.89 A)
&rst
ixpk= 1135, nxpk= 25, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 944, 945,
&end
#
# 61 GLU HA 61 GLU HG- 4.50 (# 1136:25 Preassigned 2.52, 2.89 A)
&rst
ixpk= 1136, nxpk= 25, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 944, 945,
&end
#
# 61 GLU HA 61 GLU HB3 4.50 (# 1137:25 Preassigned 3.05, 3.05 A)
&rst
ixpk= 1137, nxpk= 25, iat= 939, 942, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLU HA 61 GLU HB2 4.50 (# 1138:25 Preassigned 2.41, 2.44 A)
&rst
ixpk= 1138, nxpk= 25, iat= 939, 941, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLU HA 5 ILE QG2 5.50 (# 1139:25 Preassigned 3.64, 4.97 A)
&rst
ixpk= 1139, nxpk= 25, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 61 GLU HA 7 MET HA 5.50 (# 1140:25 Preassigned 3.47, 3.65 A)
&rst
ixpk= 1140, nxpk= 25, iat= 939, 83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HA 24 LYS HB3 4.50 (# 1141:25 Preassigned 3.05, 3.05 A)
&rst
ixpk= 1141, nxpk= 25, iat= 347, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LYS HA 24 LYS QD 5.50 (# 1142:25 Preassigned 4.17, 4.54 A)
&rst
ixpk= 1142, nxpk= 25, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 355, 356,
&end
#
# 24 LYS HA 42 ALA QB 4.50 (# 1143:25 Preassigned 2.62, 3.58 A)
&rst
ixpk= 1143, nxpk= 25, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 639, 640, 641,
&end
#
# 24 LYS HA 24 LYS HB2 4.50 (# 1144:25 Preassigned 2.47, 2.49 A)
&rst
ixpk= 1144, nxpk= 25, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LYS HA 24 LYS QG 4.50 (# 1145:25 Preassigned 2.41, 2.80 A)
&rst
ixpk= 1145, nxpk= 25, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 352, 353,
&end
#
# 15 HID HB3 16 VAL QG1 5.50 (# 1146:25 Preassigned 4.78, 5.99 A)
&rst
ixpk= 1146, nxpk= 25, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 233, 234, 235,
&end
#
# 12 TRP HB2 11 LEU HA 5.50 (# 1147:25 Preassigned 4.29, 4.36 A)
&rst
ixpk= 1147, nxpk= 25, iat= 152, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HB2 32 GLU HB3 5.50 (# 1148:25 Preassigned 3.04, 3.43 A)
&rst
ixpk= 1148, nxpk= 25, iat= 152, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HB2 30 ILE HB 5.50 (# 1149:25 Preassigned 3.90, 4.06 A)
&rst
ixpk= 1149, nxpk= 25, iat= 152, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HB2 32 GLU HB2 4.50 (# 1150:25 Preassigned 2.30, 2.41 A)
&rst
ixpk= 1150, nxpk= 25, iat= 152, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 TRP HB2 30 ILE QG2 5.50 (# 1151:25 Preassigned 2.69, 3.78 A)
&rst
ixpk= 1151, nxpk= 25, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 438, 439, 440,
&end
#
# 44 ARG QD 44 ARG HB2 4.50 (# 1152:25 Preassigned 2.65, 3.39 A)
&rst
ixpk= 1152, nxpk= 25, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 667, 668,
&end
#
# 44 ARG QD 44 ARG HB3 4.50 (# 1153:25 Preassigned 2.32, 3.28 A)
&rst
ixpk= 1153, nxpk= 25, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 667, 668,
&end
#
# 44 ARG QD 68 LEU QD1 4.50 (# 1154:25 Preassigned 2.28, 3.98 A)
&rst
ixpk= 1154, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 667, 668,
igr2=1049,1050,1051,
&end
#
# 44 ARG QD 44 ARG HG+ 4.50 (# 1155:25 Preassigned 2.25, 2.60 A)
&rst
ixpk= 1155, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 667, 668,
igr2= 664, 665,
&end
#
# 44 ARG QD 44 ARG HG- 4.50 (# 1156:25 Preassigned 2.25, 2.60 A)
&rst
ixpk= 1156, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 667, 668,
igr2= 664, 665,
&end
#
# 54 LYS QE 54 LYS QB 5.50 (# 1158:25 Preassigned 2.13, 4.29 A)
&rst
ixpk= 1158, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 844, 845,
igr2= 835, 836,
&end
#
# 0 AMB 25-3:1159 0 AMB 25-1:1159 2.80 (# 1159:25 Double Ambig)
&rst
ixpk= 1159, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 256, 257, 844, 845,
igr2= 253, 254, 841, 842,
&end
#
# 17 LYS QE 17 LYS HG- 5.50 (# 1160:25 Preassigned 2.39, 2.99 A)
&rst
ixpk= 1160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 256, 257,
igr2= 250, 251,
&end
#
# 54 LYS QE 54 LYS HG+ 4.50 (# 1161:25 Preassigned 2.47, 3.19 A)
&rst
ixpk= 1161, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 844, 845,
igr2= 838, 839,
&end
#
# 54 LYS QE 54 LYS HG- 4.50 (# 1162:25 Preassigned 2.47, 3.19 A)
&rst
ixpk= 1162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 844, 845,
igr2= 838, 839,
&end
#
# 17 LYS QE 17 LYS HG+ 5.50 (# 1163:25 Preassigned 2.39, 2.99 A)
&rst
ixpk= 1163, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 256, 257,
igr2= 250, 251,
&end
#
# 12 TRP HB3 11 LEU HA 5.50 (# 1164:25 Preassigned 4.60, 4.67 A)
&rst
ixpk= 1164, nxpk= 25, iat= 153, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HB3 32 GLU HB2 5.50 (# 1165:25 Preassigned 3.89, 4.08 A)
&rst
ixpk= 1165, nxpk= 25, iat= 153, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HB3 30 ILE QG2 4.50 (# 1166:25 Preassigned 2.24, 3.12 A)
&rst
ixpk= 1166, nxpk= 25, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 438, 439, 440,
&end
#
# 24 LYS QE 44 ARG HA 5.50 (# 1169:25 Preassigned 2.75, 4.67 A)
&rst
ixpk= 1169, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 358, 359,
&end
#
# 0 AMB 25-3:1170 0 AMB 25-1:1170 2.80 (# 1170:25 Double Ambig)
&rst
ixpk= 1170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 358, 359, 747, 748,
igr2= 355, 356, 744, 745,
&end
#
# 0 AMB 25-3:1172 0 AMB 25-1:1172 3.50 (# 1172:25 Double Ambig)
&rst
ixpk= 1172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 800, 801, 358, 359,
igr2= 794, 795, 352, 353,
&end
#
# 53 LYS QE 59 VAL HA 5.50 (# 1173:25 Preassigned 3.21, 3.90 A)
&rst
ixpk= 1173, nxpk= 25, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 822, 823,
&end
#
# 53 LYS QE 63 ASP HB2 4.50 (# 1174:25 Preassigned 4.39, 4.94 A)
&rst
ixpk= 1174, nxpk= 25, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 822, 823,
&end
#
# 53 LYS QE 63 ASP HB2 4.50 (# 1175:25 Preassigned 4.39, 4.94 A)
&rst
ixpk= 1175, nxpk= 25, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 822, 823,
&end
#
# 52 LYS HE- 0 AMB 25-1:1176 5.50 (# 1176:25 Single Ambig)
&rst
ixpk= 1176, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 800, 801,
igr2=1029, 792,
&end
#
# 53 LYS QE 53 LYS HD- 4.50 (# 1177:25 Preassigned 2.38, 2.72 A)
&rst
ixpk= 1177, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 822, 823,
igr2= 819, 820,
&end
#
# 52 LYS HE- 67 GLU HB3 5.50 (# 1178:25 Unique 2.18, 4.49 A)
&rst
ixpk= 1178, nxpk= 25, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 800, 801,
&end
#
# 53 LYS QE 53 LYS HD+ 2.80 (# 1179:25 Preassigned 2.38, 2.72 A)
&rst
ixpk= 1179, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 822, 823,
igr2= 819, 820,
&end
#
# 52 LYS HE- 52 LYS QD 5.50 (# 1180:25 Preassigned 2.37, 2.74 A)
&rst
ixpk= 1180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 800, 801,
igr2= 797, 798,
&end
#
# 53 LYS QE 53 LYS HG+ 4.50 (# 1181:25 Preassigned 2.40, 2.97 A)
&rst
ixpk= 1181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 822, 823,
igr2= 816, 817,
&end
#
# 49 LYS QE 49 LYS HG+ 5.50 (# 1182:25 Preassigned 2.30, 3.20 A)
&rst
ixpk= 1182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 747, 748,
igr2= 741, 742,
&end
#
# 52 LYS HE- 52 LYS HG- 5.50 (# 1183:25 Preassigned 2.26, 3.02 A)
&rst
ixpk= 1183, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 800, 801,
igr2= 794, 795,
&end
#
# 53 LYS QE 59 VAL QG1 4.50 (# 1184:25 Preassigned 1.96, 3.68 A)
&rst
ixpk= 1184, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 822, 823,
igr2= 913, 914, 915,
&end
#
# 52 LYS HE- 64 VAL QG1 5.50 (# 1185:25 Preassigned 2.92, 5.00 A)
&rst
ixpk= 1185, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 800, 801,
igr2= 977, 978, 979,
&end
#
# 53 LYS QE 5 ILE QD1 5.50 (# 1186:25 Preassigned 2.86, 6.53 A)
&rst
ixpk= 1186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823,
igr2= 58, 59, 60,
&end
#
# 53 LYS QE 59 VAL QG2 5.50 (# 1187:25 Preassigned 5.60, 6.55 A)
&rst
ixpk= 1187, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823,
igr2= 917, 918, 919,
&end
#
# 49 LYS QE 49 LYS HD- 4.50 (# 1188:25 Preassigned 2.39, 2.68 A)
&rst
ixpk= 1188, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 747, 748,
igr2= 744, 745,
&end
#
# 49 LYS QE 49 LYS HG- 4.50 (# 1189:25 Preassigned 2.30, 3.20 A)
&rst
ixpk= 1189, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 747, 748,
igr2= 741, 742,
&end
#
# 57 ASP HB3 57 ASP HA 4.50 (# 1190:25 Preassigned 3.02, 3.04 A)
&rst
ixpk= 1190, nxpk= 25, iat= 880, 877, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASP HB3 53 LYS HB3 5.50 (# 1191:25 Preassigned 2.82, 3.18 A)
&rst
ixpk= 1191, nxpk= 25, iat= 880, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ASP HB3 11 LEU QD+ 5.50 (# 1192:25 Preassigned 2.56, 5.59 A)
&rst
ixpk= 1192, nxpk= 25, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 57 ASP HB3 11 LEU QD- 5.50 (# 1193:25 Preassigned 2.56, 5.59 A)
&rst
ixpk= 1193, nxpk= 25, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 57 ASP HB3 59 VAL QG1 4.50 (# 1194:25 Preassigned 3.09, 4.32 A)
&rst
ixpk= 1194, nxpk= 25, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 913, 914, 915,
&end
#
# 20 ASP HB3 20 ASP HA 4.50 (# 1195:25 Preassigned 3.04, 3.04 A)
&rst
ixpk= 1195, nxpk= 25, iat= 287, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ASP HB3 63 ASP HA 4.50 (# 1196:25 Preassigned 3.04, 3.04 A)
&rst
ixpk= 1196, nxpk= 25, iat= 964, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HB3 48 VAL HB 5.50 (# 1197:25 Preassigned 2.68, 2.81 A)
&rst
ixpk= 1197, nxpk= 25, iat= 287, 722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ASP HB3 5 ILE HB 5.50 (# 1198:25 Preassigned 2.90, 3.06 A)
&rst
ixpk= 1198, nxpk= 25, iat= 964, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1199 0 AMB 25-1:1199 4.50 (# 1199:25 Double Ambig)
&rst
ixpk= 1199, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 287, 214, 800, 801,
igr2= 233, 234, 235, 981, 982, 983,
&end
#
# 20 ASP HB3 48 VAL QG2 4.50 (# 1200:25 Preassigned 2.39, 3.18 A)
&rst
ixpk= 1200, nxpk= 25, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 728, 729, 730,
&end
#
# 0 AMB 25-3:1201 15 VAL QG2 5.50 (# 1201:25 Single Ambig)
&rst
ixpk= 1201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 214, 287,
igr2= 237, 238, 239,
&end
#
# 63 ASP HB3 5 ILE QD1 5.50 (# 1202:25 Preassigned 2.58, 5.61 A)
&rst
ixpk= 1202, nxpk= 25, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 58, 59, 60,
&end
#
# 20 ASP HB3 22 ILE QG2 5.50 (# 1203:25 Preassigned 3.60, 4.46 A)
&rst
ixpk= 1203, nxpk= 25, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 63 ASP HB3 59 VAL HB 4.50 (# 1204:25 Preassigned 3.10, 3.24 A)
&rst
ixpk= 1204, nxpk= 25, iat= 964, 911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1205 0 AMB 25-1:1205 5.50 (# 1205:25 Double Ambig)
&rst
ixpk= 1205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 800, 801, 800, 801,
igr2=1029, 792,
&end
#
# 0 AMB 25-3:1206 0 AMB 25-1:1206 5.50 (# 1206:25 Double Ambig)
&rst
ixpk= 1206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 800, 801, 800, 801,
igr2=1029, 792,
&end
#
# 52 LYS HE+ 52 LYS QD 4.50 (# 1207:25 Preassigned 2.37, 2.74 A)
&rst
ixpk= 1207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 800, 801,
igr2= 797, 798,
&end
#
# 63 ASP HB3 5 ILE QG2 5.50 (# 1208:25 Preassigned 4.69, 5.33 A)
&rst
ixpk= 1208, nxpk= 25, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 10 ASN HB2 32 GLU HB3 5.50 (# 1209:25 Preassigned 2.84, 3.06 A)
&rst
ixpk= 1209, nxpk= 25, iat= 119, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HB2 32 GLU HB2 5.50 (# 1210:25 Preassigned 4.51, 4.77 A)
&rst
ixpk= 1210, nxpk= 25, iat= 119, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 MET HG+ 34 MET HA 5.50 (# 1211:25 Preassigned 2.51, 3.33 A)
&rst
ixpk= 1211, nxpk= 25, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 503, 504,
&end
#
# 34 MET HG+ 34 MET QB 3.50 (# 1214:25 Preassigned 2.28, 2.73 A)
&rst
ixpk= 1214, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 503, 504,
igr2= 500, 501,
&end
#
# 57 ASP HB2 57 ASP HA 3.50 (# 1215:25 Preassigned 2.45, 2.52 A)
&rst
ixpk= 1215, nxpk= 25, iat= 879, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 ASP HB2 53 LYS HD+ 5.50 (# 1216:25 Preassigned 3.83, 4.51 A)
&rst
ixpk= 1216, nxpk= 25, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 819, 820,
&end
#
# 0 AMB 25-3:1217 58 VAL QG1 5.50 (# 1217:25 Single Ambig)
&rst
ixpk= 1217, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 879, 927, 928,
igr2= 913, 914, 915,
&end
#
# 60 ASN HB+ 59 VAL HA 5.50 (# 1219:25 Preassigned 3.74, 4.39 A)
&rst
ixpk= 1219, nxpk= 25, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 928,
&end
#
# 60 ASN HB+ 8 ALA QB 5.50 (# 1221:25 Preassigned 4.81, 5.89 A)
&rst
ixpk= 1221, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 927, 928,
igr2= 102, 103, 104,
&end
#
# 36 MET HG+ 36 MET HB2 3.50 (# 1222:25 Preassigned 2.39, 2.65 A)
&rst
ixpk= 1222, nxpk= 25, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 542, 543,
&end
#
# 36 MET HG+ 38 ILE QD1 5.50 (# 1223:25 Preassigned 4.33, 5.97 A)
&rst
ixpk= 1223, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 542, 543,
igr2= 580, 581, 582,
&end
#
# 20 ASP HB2 20 ASP HA 2.80 (# 1224:25 Preassigned 2.52, 2.53 A)
&rst
ixpk= 1224, nxpk= 25, iat= 286, 284, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 ASN HB- 59 VAL HA 5.50 (# 1225:25 Preassigned 3.74, 4.39 A)
&rst
ixpk= 1225, nxpk= 25, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 928,
&end
#
# 34 MET HG- 34 MET HA 4.50 (# 1226:25 Preassigned 2.51, 3.33 A)
&rst
ixpk= 1226, nxpk= 25, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 503, 504,
&end
#
# 36 MET HG- 36 MET HB3 4.50 (# 1228:25 Unique 2.45, 2.75 A)
&rst
ixpk= 1228, nxpk= 25, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 542, 543,
&end
#
# 20 ASP HB2 48 VAL QG2 5.50 (# 1230:25 Preassigned 4.01, 4.87 A)
&rst
ixpk= 1230, nxpk= 25, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 728, 729, 730,
&end
#
# 20 ASP HB2 22 ILE QG2 5.50 (# 1232:25 Preassigned 5.21, 5.95 A)
&rst
ixpk= 1232, nxpk= 25, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 0 AMB 25-3:1234 0 AMB 25-1:1234 3.50 (# 1234:25 Double Ambig)
&rst
ixpk= 1234, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 503, 504, 542, 543,
igr2= 500, 501, 517,
&end
#
# 0 AMB 25-3:1235 0 AMB 25-1:1235 3.50 (# 1235:25 Double Ambig)
&rst
ixpk= 1235, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 503, 504, 542, 543,
igr2= 500, 501, 517,
&end
#
# 6 GLN HG+ 6 GLN HA 5.50 (# 1236:25 Preassigned 2.54, 3.40 A)
&rst
ixpk= 1236, nxpk= 25, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 71, 72,
&end
#
# 6 GLN HG+ 6 GLN HB+ 2.80 (# 1237:25 Preassigned 2.28, 2.72 A)
&rst
ixpk= 1237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 71, 72,
igr2= 68, 69,
&end
#
# 6 GLN HG+ 6 GLN HB- 3.50 (# 1240:25 Preassigned 2.28, 2.72 A)
&rst
ixpk= 1240, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 71, 72,
igr2= 68, 69,
&end
#
# 39 PRO HB+ 39 PRO HD+ 5.50 (# 1241:25 Preassigned 2.87, 3.70 A)
&rst
ixpk= 1241, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 593, 594,
igr2= 587, 588,
&end
#
# 39 PRO HB+ 39 PRO HD- 5.50 (# 1242:25 Preassigned 2.87, 3.70 A)
&rst
ixpk= 1242, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 593, 594,
igr2= 587, 588,
&end
#
# 39 PRO HB+ 39 PRO HG+ 3.50 (# 1243:25 Preassigned 2.34, 2.63 A)
&rst
ixpk= 1243, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 593, 594,
igr2= 590, 591,
&end
#
# 39 PRO HB+ 39 PRO HG- 3.50 (# 1244:25 Preassigned 2.34, 2.63 A)
&rst
ixpk= 1244, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 593, 594,
igr2= 590, 591,
&end
#
# 0 AMB 25-3:1245 29 ILE QD1 5.50 (# 1245:25 Single Ambig)
&rst
ixpk= 1245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 593, 594, 185, 186,
igr2= 445, 446, 447,
&end
#
# 39 PRO HB+ 41 VAL QG2 5.50 (# 1246:25 Preassigned 4.49, 6.57 A)
&rst
ixpk= 1246, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 593, 594,
igr2= 629, 630, 631,
&end
#
# 39 PRO HB+ 41 VAL QG1 5.50 (# 1247:25 Preassigned 2.75, 4.19 A)
&rst
ixpk= 1247, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 593, 594,
igr2= 625, 626, 627,
&end
#
# 13 LYS HE+ 13 LYS HD+ 5.50 (# 1249:25 Preassigned 2.36, 2.72 A)
&rst
ixpk= 1249, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 185, 186,
igr2= 182, 183,
&end
#
# 13 LYS HE+ 13 LYS HD- 5.50 (# 1250:25 Preassigned 2.36, 2.72 A)
&rst
ixpk= 1250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 185, 186,
igr2= 182, 183,
&end
#
# 13 LYS HE+ 13 LYS HG+ 5.50 (# 1251:25 Preassigned 2.43, 2.92 A)
&rst
ixpk= 1251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 185, 186,
igr2= 179, 180,
&end
#
# 26 GLN HG- 26 GLN HA 3.50 (# 1253:25 Preassigned 2.47, 2.83 A)
&rst
ixpk= 1253, nxpk= 25, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 381, 382,
&end
#
# 26 GLN HG- 26 GLN HB3 2.80 (# 1255:25 Preassigned 2.39, 2.82 A)
&rst
ixpk= 1255, nxpk= 25, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 381, 382,
&end
#
# 27 GLU HG- 27 GLU HA 4.50 (# 1256:25 Preassigned 2.44, 2.83 A)
&rst
ixpk= 1256, nxpk= 25, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 398, 399,
&end
#
# 27 GLU HG- 27 GLU HB+ 2.80 (# 1257:25 Preassigned 2.40, 2.76 A)
&rst
ixpk= 1257, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 398, 399,
igr2= 395, 396,
&end
#
# 27 GLU HG- 39 PRO HG+ 5.50 (# 1258:25 Preassigned 4.52, 6.18 A)
&rst
ixpk= 1258, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 398, 399,
igr2= 590, 591,
&end
#
# 27 GLU HG- 27 GLU HB- 2.80 (# 1259:25 Preassigned 2.40, 2.76 A)
&rst
ixpk= 1259, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 398, 399,
igr2= 395, 396,
&end
#
# 27 GLU HG- 41 VAL QG1 5.50 (# 1262:25 Preassigned 3.03, 4.89 A)
&rst
ixpk= 1262, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 398, 399,
igr2= 625, 626, 627,
&end
#
# 7 MET QG 7 MET HA 4.50 (# 1263:25 Preassigned 2.54, 3.80 A)
&rst
ixpk= 1263, nxpk= 25, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 88, 89,
&end
#
# 48 VAL HB 48 VAL HA 5.50 (# 1264:25 Preassigned 3.02, 3.03 A)
&rst
ixpk= 1264, nxpk= 25, iat= 722, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET QG 7 MET HB3 4.50 (# 1265:25 Preassigned 2.26, 2.72 A)
&rst
ixpk= 1265, nxpk= 25, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 88, 89,
&end
#
# 7 MET QG 7 MET HB2 4.50 (# 1266:25 Preassigned 2.30, 2.56 A)
&rst
ixpk= 1266, nxpk= 25, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 88, 89,
&end
#
# 7 MET QG 5 ILE QG2 5.50 (# 1267:25 Preassigned 2.98, 4.87 A)
&rst
ixpk= 1267, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 88, 89,
igr2= 51, 52, 53,
&end
#
# 7 MET QG 38 ILE QG2 5.50 (# 1268:25 Preassigned 4.04, 6.11 A)
&rst
ixpk= 1268, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 88, 89,
igr2= 573, 574, 575,
&end
#
# 7 MET QG 38 ILE QD1 5.50 (# 1269:25 Preassigned 3.71, 5.70 A)
&rst
ixpk= 1269, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 88, 89,
igr2= 580, 581, 582,
&end
#
# 7 MET QG 31 LEU HG 4.50 (# 1270:25 Preassigned 2.33, 3.38 A)
&rst
ixpk= 1270, nxpk= 25, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 88, 89,
&end
#
# 7 MET QG 0 AMB 25-1:1271 5.50 (# 1271:25 Single Ambig)
&rst
ixpk= 1271, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 88, 89,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 48 VAL HB 18 ALA HA 3.50 (# 1272:25 Preassigned 2.87, 3.09 A)
&rst
ixpk= 1272, nxpk= 25, iat= 722, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 VAL HB 18 ALA QB 5.50 (# 1273:25 Preassigned 5.19, 5.64 A)
&rst
ixpk= 1273, nxpk= 25, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 269, 270, 271,
&end
#
# 48 VAL HB 48 VAL QG2 2.80 (# 1274:25 Preassigned 2.44, 2.67 A)
&rst
ixpk= 1274, nxpk= 25, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 728, 729, 730,
&end
#
# 48 VAL HB 47 ILE QG2 4.50 (# 1275:25 Preassigned 4.27, 5.03 A)
&rst
ixpk= 1275, nxpk= 25, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 705, 706, 707,
&end
#
# 48 VAL HB 48 VAL QG1 2.80 (# 1276:25 Preassigned 2.45, 2.68 A)
&rst
ixpk= 1276, nxpk= 25, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 724, 725, 726,
&end
#
# 48 VAL HB 68 LEU QD2 5.50 (# 1277:25 Preassigned 4.72, 5.33 A)
&rst
ixpk= 1277, nxpk= 25, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1053,1054,1055,
&end
#
# 0 AMB 25-3:1278 19 ASP HA 5.50 (# 1278:25 Single Ambig)
&rst
ixpk= 1278, nxpk= 25, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 722, 231, 301, 302,
&end
#
# 0 AMB 25-3:1279 19 ASP HB2 4.50 (# 1279:25 Single Ambig)
&rst
ixpk= 1279, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 722, 231,
&end
#
# 16 VAL HB 20 ASP HB2 4.50 (# 1280:25 Preassigned 3.89, 4.24 A)
&rst
ixpk= 1280, nxpk= 25, iat= 231, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL HB 29 ALA QB 5.50 (# 1282:25 Preassigned 4.28, 5.08 A)
&rst
ixpk= 1282, nxpk= 25, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 426, 427, 428,
&end
#
# 73 GLN QG 72 THR QG2 5.50 (# 1283:25 Preassigned 3.19, 6.74 A)
&rst
ixpk= 1283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1116,1117,
igr2=1101,1102,1103,
&end
#
# 0 AMB 25-3:1284 15 VAL QG1 2.80 (# 1284:25 Single Ambig)
&rst
ixpk= 1284, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 410, 231,
igr2= 233, 234, 235,
&end
#
# 0 AMB 25-3:1285 0 AMB 25-1:1285 2.80 (# 1285:25 Double Ambig)
&rst
ixpk= 1285, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 231, 410, 722,
igr2= 728, 729, 730, 416, 417, 418,
&end
#
# 0 AMB 25-3:1286 0 AMB 25-1:1286 5.50 (# 1286:25 Double Ambig)
&rst
ixpk= 1286, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 410, 231,
igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 0 AMB 25-3:1287 65 LEU QD- 5.50 (# 1287:25 Single Ambig)
&rst
ixpk= 1287, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 410, 231,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 25-3:1288 15 VAL QG2 2.80 (# 1288:25 Single Ambig)
&rst
ixpk= 1288, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 231, 410,
igr2= 237, 238, 239,
&end
#
# 0 AMB 25-3:1289 21 ILE QG2 3.50 (# 1289:25 Single Ambig)
&rst
ixpk= 1289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 410, 231, 301, 302,
igr2= 317, 318, 319,
&end
#
# 28 VAL HB 65 LEU QD- 5.50 (# 1290:25 Preassigned 2.85, 5.10 A)
&rst
ixpk= 1290, nxpk= 25, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 28 VAL HB 28 VAL QG1 2.80 (# 1291:25 Preassigned 2.40, 2.65 A)
&rst
ixpk= 1291, nxpk= 25, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 412, 413, 414,
&end
#
# 0 AMB 25-3:1292 21 ILE QD1 4.50 (# 1292:25 Single Ambig)
&rst
ixpk= 1292, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 410, 231,
igr2= 324, 325, 326,
&end
#
# 55 GLU HG+ 13 LYS HA 4.50 (# 1293:25 Preassigned 2.08, 2.78 A)
&rst
ixpk= 1293, nxpk= 25, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 860, 861,
&end
#
# 0 AMB 25-3:1294 5 GLN HA 2.80 (# 1294:25 Single Ambig)
&rst
ixpk= 1294, nxpk= 25, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 68, 69, 71, 72,
&end
#
# 26 GLN HB2 26 GLN HA 3.50 (# 1295:25 Preassigned 2.52, 2.57 A)
&rst
ixpk= 1295, nxpk= 25, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1296 4 ILE HA 5.50 (# 1296:25 Single Ambig)
&rst
ixpk= 1296, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 71, 72, 68, 69,
&end
#
# 55 GLU HG+ 55 GLU HA 4.50 (# 1297:25 Preassigned 2.48, 2.99 A)
&rst
ixpk= 1297, nxpk= 25, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 860, 861,
&end
#
# 73 GLN QG 73 GLN HB- 2.80 (# 1299:25 Preassigned 2.22, 2.76 A)
&rst
ixpk= 1299, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1116,1117,
igr2=1113,1114,
&end
#
# 55 GLU HG+ 55 GLU QB 2.80 (# 1300:25 Preassigned 2.26, 2.71 A)
&rst
ixpk= 1300, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 860, 861,
igr2= 857, 858,
&end
#
# 0 AMB 25-3:1301 21 ILE HB 5.50 (# 1301:25 Single Ambig)
&rst
ixpk= 1301, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 378, 410, 301, 302,
&end
#
# 0 AMB 25-3:1302 41 ALA QB 5.50 (# 1302:25 Single Ambig)
&rst
ixpk= 1302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 378, 410,
igr2= 639, 640, 641,
&end
#
# 0 AMB 25-3:1303 0 AMB 25-1:1303 4.50 (# 1303:25 Double Ambig)
&rst
ixpk= 1303, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 185, 186, 860, 861,
igr2= 182, 183, 182, 183,
&end
#
# 0 AMB 25-3:1304 12 LYS HD- 5.50 (# 1304:25 Single Ambig)
&rst
ixpk= 1304, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 185, 186, 860, 861,
igr2= 182, 183,
&end
#
# 16 VAL HB 51 VAL QG1 4.50 (# 1305:25 Unique 4.59, 5.34 A)
&rst
ixpk= 1305, nxpk= 25, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 777, 778, 779,
&end
#
# 21 GLN HG- 47 ILE HG1- 5.50 (# 1306:25 Preassigned 3.74, 5.40 A)
&rst
ixpk= 1306, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 301, 302,
igr2= 709, 710,
&end
#
# 0 AMB 25-3:1307 0 AMB 25-1:1307 5.50 (# 1307:25 Double Ambig)
&rst
ixpk= 1307, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 185, 186, 860, 861,
igr2= 179, 180, 179, 180,
&end
#
# 0 AMB 25-3:1308 0 AMB 25-1:1308 5.50 (# 1308:25 Double Ambig)
&rst
ixpk= 1308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 185, 186, 860, 861,
igr2= 179, 180, 179, 180,
&end
#
# 55 GLU HG+ 14 VAL QG2 4.50 (# 1309:25 Preassigned 2.53, 4.72 A)
&rst
ixpk= 1309, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 860, 861,
igr2= 204, 205, 206,
&end
#
# 0 AMB 25-3:1310 12 LYS HG- 5.50 (# 1310:25 Single Ambig)
&rst
ixpk= 1310, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 185, 186, 860, 861,
igr2= 179, 180,
&end
#
# 63 ASP HB2 63 ASP HA 3.50 (# 1311:25 Preassigned 2.55, 2.56 A)
&rst
ixpk= 1311, nxpk= 25, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 ASP HB2 53 LYS QE 4.50 (# 1312:25 Preassigned 4.39, 4.94 A)
&rst
ixpk= 1312, nxpk= 25, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 822, 823,
&end
#
# 0 AMB 25-3:1313 0 AMB 25-1:1313 3.50 (# 1313:25 Double Ambig)
&rst
ixpk= 1313, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 68, 69, 68, 69, 71, 72,
igr2= 944, 945, 944, 945,
&end
#
# 67 GLU HG+ 67 GLU HB2 2.80 (# 1314:25 Preassigned 2.30, 2.73 A)
&rst
ixpk= 1314, nxpk= 25, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1032,1033,
&end
#
# 0 AMB 25-3:1315 0 AMB 25-1:1315 2.80 (# 1315:25 Double Ambig)
&rst
ixpk= 1315, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 337, 338, 337, 338, 378,1032,1033,
igr2= 335,1030,
&end
#
# 55 GLU HG+ 54 LYS QB 5.50 (# 1316:25 Preassigned 3.99, 5.88 A)
&rst
ixpk= 1316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 860, 861,
igr2= 835, 836,
&end
#
# 67 GLU HG+ 52 LYS QD 5.50 (# 1317:25 Preassigned 2.48, 6.34 A)
&rst
ixpk= 1317, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1032,1033,
igr2= 797, 798,
&end
#
# 16 VAL HB 17 LYS HG+ 5.50 (# 1318:25 Preassigned 4.95, 5.36 A)
&rst
ixpk= 1318, nxpk= 25, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 0 AMB 25-3:1319 4 ILE QG2 5.50 (# 1319:25 Single Ambig)
&rst
ixpk= 1319, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 71, 72, 68, 69,
igr2= 51, 52, 53,
&end
#
# 63 ASP HB2 59 VAL QG1 4.50 (# 1320:25 Preassigned 4.78, 5.74 A)
&rst
ixpk= 1320, nxpk= 25, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 913, 914, 915,
&end
#
# 0 AMB 25-3:1321 39 ILE QD1 5.50 (# 1321:25 Single Ambig)
&rst
ixpk= 1321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 71, 72, 68, 69,
igr2= 613, 614, 615,
&end
#
# 0 AMB 25-3:1322 22 GLU HB2 2.80 (# 1322:25 Single Ambig)
&rst
ixpk= 1322, nxpk= 25, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 337, 338, 378,
&end
#
# 21 GLN HG+ 21 GLN QB 2.80 (# 1323:25 Preassigned 2.23, 2.69 A)
&rst
ixpk= 1323, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 301, 302,
igr2= 298, 299,
&end
#
# 27 GLU HB+ 27 GLU HA 4.50 (# 1324:25 Preassigned 2.33, 2.76 A)
&rst
ixpk= 1324, nxpk= 25, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 395, 396,
&end
#
# 27 GLU HB+ 27 GLU HG- 2.80 (# 1325:25 Unique 2.40, 2.76 A)
&rst
ixpk= 1325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 395, 396,
igr2= 398, 399,
&end
#
# 27 GLU HB+ 27 GLU HG+ 2.80 (# 1326:25 Preassigned 2.40, 2.76 A)
&rst
ixpk= 1326, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 395, 396,
igr2= 398, 399,
&end
#
# 27 GLU HB+ 41 VAL QG1 4.50 (# 1329:25 Preassigned 2.73, 4.66 A)
&rst
ixpk= 1329, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 395, 396,
igr2= 625, 626, 627,
&end
#
# 50 GLU HG+ 50 GLU HA 4.50 (# 1330:25 Preassigned 2.32, 2.98 A)
&rst
ixpk= 1330, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 763, 764,
&end
#
# 34 MET QB 34 MET HA 2.80 (# 1331:25 Preassigned 2.34, 2.60 A)
&rst
ixpk= 1331, nxpk= 25, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 500, 501,
&end
#
# 35 LYS HB2 35 LYS HA 4.50 (# 1332:25 Preassigned 3.04, 3.04 A)
&rst
ixpk= 1332, nxpk= 25, iat= 517, 515, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1333 0 AMB 25-1:1333 2.80 (# 1333:25 Double Ambig)
&rst
ixpk= 1333, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 500, 501, 539,
igr2= 503, 504, 503, 504,
&end
#
# 0 AMB 25-3:1334 0 AMB 25-1:1334 3.50 (# 1334:25 Double Ambig)
&rst
ixpk= 1334, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 539, 517,
igr2= 542, 543, 542, 543,
&end
#
# 34 MET QB 34 MET HG- 2.80 (# 1335:25 Preassigned 2.28, 2.73 A)
&rst
ixpk= 1335, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 500, 501,
igr2= 503, 504,
&end
#
# 36 MET HB2 36 MET HG- 2.80 (# 1336:25 Preassigned 2.39, 2.65 A)
&rst
ixpk= 1336, nxpk= 25, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 542, 543,
&end
#
# 50 GLU HG+ 50 GLU HB2 2.80 (# 1338:25 Preassigned 2.39, 2.76 A)
&rst
ixpk= 1338, nxpk= 25, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 763, 764,
&end
#
# 50 GLU HG+ 50 GLU HB3 3.50 (# 1341:25 Preassigned 2.41, 2.65 A)
&rst
ixpk= 1341, nxpk= 25, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 763, 764,
&end
#
# 35 LYS HB2 35 LYS HD+ 4.50 (# 1342:25 Preassigned 2.49, 3.18 A)
&rst
ixpk= 1342, nxpk= 25, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 523, 524,
&end
#
# 35 LYS HB2 35 LYS HD- 5.50 (# 1343:25 Preassigned 2.49, 3.18 A)
&rst
ixpk= 1343, nxpk= 25, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 523, 524,
&end
#
# 35 LYS HB2 35 LYS HG+ 4.50 (# 1344:25 Unique 2.41, 2.69 A)
&rst
ixpk= 1344, nxpk= 25, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 520, 521,
&end
#
# 35 LYS HB2 35 LYS HG- 4.50 (# 1345:25 Preassigned 2.41, 2.69 A)
&rst
ixpk= 1345, nxpk= 25, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 520, 521,
&end
#
# 0 AMB 25-3:1346 37 ILE HA 5.50 (# 1346:25 Single Ambig)
&rst
ixpk= 1346, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 590, 591, 539,
&end
#
# 36 MET HB2 36 MET HA 4.50 (# 1347:25 Preassigned 3.06, 3.06 A)
&rst
ixpk= 1347, nxpk= 25, iat= 539, 537, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 PRO HG+ 39 PRO HD+ 4.50 (# 1348:25 Preassigned 2.33, 2.61 A)
&rst
ixpk= 1348, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 590, 591,
igr2= 587, 588,
&end
#
# 39 PRO HG+ 39 PRO HD- 3.50 (# 1349:25 Preassigned 2.33, 2.61 A)
&rst
ixpk= 1349, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 590, 591,
igr2= 587, 588,
&end
#
# 39 PRO HG+ 39 PRO HB+ 2.80 (# 1350:25 Preassigned 2.34, 2.63 A)
&rst
ixpk= 1350, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 590, 591,
igr2= 593, 594,
&end
#
# 0 AMB 25-3:1352 37 ILE QD1 4.50 (# 1352:25 Single Ambig)
&rst
ixpk= 1352, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 539, 500, 501,
igr2= 580, 581, 582,
&end
#
# 61 GLU HG+ 6 GLN HA 4.50 (# 1353:25 Preassigned 2.52, 3.43 A)
&rst
ixpk= 1353, nxpk= 25, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 944, 945,
&end
#
# 39 PRO HG+ 39 PRO HB- 2.80 (# 1354:25 Preassigned 2.34, 2.63 A)
&rst
ixpk= 1354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 590, 591,
igr2= 593, 594,
&end
#
# 39 PRO HG+ 38 ILE QG2 5.50 (# 1355:25 Preassigned 3.55, 5.02 A)
&rst
ixpk= 1355, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 590, 591,
igr2= 573, 574, 575,
&end
#
# 39 PRO HG+ 41 VAL QG2 5.50 (# 1356:25 Preassigned 5.20, 6.88 A)
&rst
ixpk= 1356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 590, 591,
igr2= 629, 630, 631,
&end
#
# 61 GLU HG+ 7 MET HA 4.50 (# 1357:25 Preassigned 3.80, 4.50 A)
&rst
ixpk= 1357, nxpk= 25, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 944, 945,
&end
#
# 51 VAL HB 51 VAL HA 4.50 (# 1358:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 1358, nxpk= 25, iat= 775, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 GLN HB- 73 GLN HA 5.50 (# 1359:25 Preassigned 2.39, 2.70 A)
&rst
ixpk= 1359, nxpk= 25, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1113,1114,
&end
#
# 14 VAL HB 14 VAL HA 4.50 (# 1360:25 Preassigned 3.05, 3.06 A)
&rst
ixpk= 1360, nxpk= 25, iat= 198, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLU HG+ 61 GLU HA 4.50 (# 1361:25 Preassigned 2.52, 2.89 A)
&rst
ixpk= 1361, nxpk= 25, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 944, 945,
&end
#
# 32 GLU HB3 12 TRP HB2 5.50 (# 1362:25 Preassigned 3.04, 3.43 A)
&rst
ixpk= 1362, nxpk= 25, iat= 475, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HB3 10 ASN HB2 3.50 (# 1363:25 Preassigned 2.84, 3.06 A)
&rst
ixpk= 1363, nxpk= 25, iat= 475, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 GLU HB3 10 ASN HB3 5.50 (# 1364:25 Preassigned 3.75, 3.92 A)
&rst
ixpk= 1364, nxpk= 25, iat= 475, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HB 55 GLU HG+ 4.50 (# 1366:25 Preassigned 2.56, 3.72 A)
&rst
ixpk= 1366, nxpk= 25, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 860, 861,
&end
#
# 34 MET QE 7 MET HB2 4.50 (# 1367:25 Unique 3.89, 5.01 A)
&rst
ixpk= 1367, nxpk= 25, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 507, 508, 509,
&end
#
# 32 GLU HB3 32 GLU HG+ 3.50 (# 1368:25 Preassigned 2.52, 2.80 A)
&rst
ixpk= 1368, nxpk= 25, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 477, 478,
&end
#
# 14 VAL HB 29 ALA QB 5.50 (# 1369:25 Preassigned 4.73, 5.53 A)
&rst
ixpk= 1369, nxpk= 25, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 426, 427, 428,
&end
#
# 51 VAL HB 51 VAL QG1 2.80 (# 1370:25 Preassigned 2.45, 2.67 A)
&rst
ixpk= 1370, nxpk= 25, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 777, 778, 779,
&end
#
# 14 VAL HB 65 LEU QD+ 5.50 (# 1371:25 Preassigned 4.72, 6.68 A)
&rst
ixpk= 1371, nxpk= 25, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 51 VAL HB 51 VAL QG2 2.80 (# 1372:25 Preassigned 2.45, 2.66 A)
&rst
ixpk= 1372, nxpk= 25, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 781, 782, 783,
&end
#
# 0 AMB 25-3:1373 15 VAL QG2 5.50 (# 1373:25 Single Ambig)
&rst
ixpk= 1373, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 775, 198,
igr2= 237, 238, 239,
&end
#
# 14 VAL HB 11 LEU QD- 5.50 (# 1374:25 Preassigned 4.57, 6.21 A)
&rst
ixpk= 1374, nxpk= 25, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:1375 26 GLU HA 3.50 (# 1375:25 Single Ambig)
&rst
ixpk= 1375, nxpk= 25, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 395, 396, 398, 399,
&end
#
# 59 VAL HB 59 VAL HA 3.50 (# 1376:25 Preassigned 2.53, 2.55 A)
&rst
ixpk= 1376, nxpk= 25, iat= 911, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 VAL HB 63 ASP HB2 5.50 (# 1377:25 Preassigned 4.35, 4.49 A)
&rst
ixpk= 1377, nxpk= 25, iat= 911, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 VAL HB 63 ASP HB2 5.50 (# 1379:25 Preassigned 4.35, 4.49 A)
&rst
ixpk= 1379, nxpk= 25, iat= 911, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 VAL HB 48 VAL QG1 5.50 (# 1381:25 Preassigned 5.01, 5.37 A)
&rst
ixpk= 1381, nxpk= 25, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 59 VAL HB 5 ILE HB 5.50 (# 1382:25 Preassigned 2.66, 2.87 A)
&rst
ixpk= 1382, nxpk= 25, iat= 911, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLU HG- 61 GLU HB3 2.80 (# 1383:25 Preassigned 2.52, 2.80 A)
&rst
ixpk= 1383, nxpk= 25, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 944, 945,
&end
#
# 61 GLU HG- 61 GLU HB2 2.80 (# 1384:25 Preassigned 2.30, 2.72 A)
&rst
ixpk= 1384, nxpk= 25, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 944, 945,
&end
#
# 59 VAL HB 5 ILE HG1+ 5.50 (# 1385:25 Preassigned 2.19, 2.96 A)
&rst
ixpk= 1385, nxpk= 25, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 55, 56,
&end
#
# 27 GLU HG+ 30 ILE QD1 5.50 (# 1386:25 Preassigned 4.36, 5.55 A)
&rst
ixpk= 1386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 398, 399,
igr2= 445, 446, 447,
&end
#
# 59 VAL HB 59 VAL QG1 2.80 (# 1388:25 Preassigned 2.41, 2.64 A)
&rst
ixpk= 1388, nxpk= 25, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 913, 914, 915,
&end
#
# 59 VAL HB 5 ILE QD1 4.50 (# 1389:25 Preassigned 2.59, 4.52 A)
&rst
ixpk= 1389, nxpk= 25, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 58, 59, 60,
&end
#
# 27 GLU HG+ 28 VAL QG1 5.50 (# 1390:25 Preassigned 5.51, 6.83 A)
&rst
ixpk= 1390, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 398, 399,
igr2= 412, 413, 414,
&end
#
# 59 VAL HB 59 VAL QG2 3.50 (# 1391:25 Preassigned 2.42, 2.65 A)
&rst
ixpk= 1391, nxpk= 25, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 917, 918, 919,
&end
#
# 0 AMB 25-3:1392 0 AMB 25-1:1392 5.50 (# 1392:25 Double Ambig)
&rst
ixpk= 1392, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 507, 508, 509, 911,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 460, 461, 462, 464, 465, 466,
&end
#
# 26 GLN HB3 26 GLN HA 3.50 (# 1393:25 Preassigned 3.03, 3.05 A)
&rst
ixpk= 1393, nxpk= 25, iat= 379, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLN HB3 26 GLN HG- 3.50 (# 1394:25 Preassigned 2.39, 2.82 A)
&rst
ixpk= 1394, nxpk= 25, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 381, 382,
&end
#
# 26 GLN HB3 26 GLN HG+ 2.80 (# 1395:25 Preassigned 2.39, 2.82 A)
&rst
ixpk= 1395, nxpk= 25, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 381, 382,
&end
#
# 67 GLU HB2 49 LYS HB3 5.50 (# 1396:25 Preassigned 2.81, 4.54 A)
&rst
ixpk= 1396, nxpk= 25, iat=1029, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HB3 28 VAL QG2 4.50 (# 1397:25 Preassigned 3.24, 5.04 A)
&rst
ixpk= 1397, nxpk= 25, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 416, 417, 418,
&end
#
# 26 GLN HB3 41 VAL QG2 7.00 (# 1398:25 Preassigned 6.69, 7.48 A)
&rst
ixpk= 1398, nxpk= 25, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 629, 630, 631,
&end
#
# 52 LYS HB3 52 LYS HA 3.50 (# 1400:25 Preassigned 2.41, 2.46 A)
&rst
ixpk= 1400, nxpk= 25, iat= 792, 789, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 PRO HG- 39 PRO HD+ 3.50 (# 1401:25 Preassigned 2.33, 2.61 A)
&rst
ixpk= 1401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 590, 591,
igr2= 587, 588,
&end
#
# 39 PRO HG- 39 PRO HD- 4.50 (# 1402:25 Preassigned 2.33, 2.61 A)
&rst
ixpk= 1402, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 590, 591,
igr2= 587, 588,
&end
#
# 39 PRO HG- 39 PRO HB+ 2.80 (# 1403:25 Preassigned 2.34, 2.63 A)
&rst
ixpk= 1403, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 590, 591,
igr2= 593, 594,
&end
#
# 21 GLN QB 21 GLN HG- 2.80 (# 1404:25 Preassigned 2.23, 2.69 A)
&rst
ixpk= 1404, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 298, 299,
igr2= 301, 302,
&end
#
# 21 GLN QB 21 GLN HG+ 2.80 (# 1405:25 Preassigned 2.23, 2.69 A)
&rst
ixpk= 1405, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 298, 299,
igr2= 301, 302,
&end
#
# 26 GLN HB3 22 ILE HB 5.50 (# 1406:25 Preassigned 2.68, 3.10 A)
&rst
ixpk= 1406, nxpk= 25, iat= 379, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HB3 42 ALA QB 4.50 (# 1407:25 Preassigned 3.05, 3.71 A)
&rst
ixpk= 1407, nxpk= 25, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 639, 640, 641,
&end
#
# 0 AMB 25-3:1408 51 LYS QD 3.50 (# 1408:25 Single Ambig)
&rst
ixpk= 1408, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1029, 792,
igr2= 797, 798,
&end
#
# 0 AMB 25-3:1409 51 LYS HG- 4.50 (# 1409:25 Single Ambig)
&rst
ixpk= 1409, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 792,1029,
igr2= 794, 795,
&end
#
# 0 AMB 25-3:1410 0 AMB 25-1:1410 4.50 (# 1410:25 Double Ambig)
&rst
ixpk= 1410, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 792,1029,
igr2= 794, 795, 794, 795,
&end
#
# 21 GLN QB 47 ILE HG1- 5.50 (# 1411:25 Preassigned 4.34, 5.77 A)
&rst
ixpk= 1411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 298, 299,
igr2= 709, 710,
&end
#
# 7 MET QE 38 ILE QG2 4.50 (# 1412:25 Preassigned 2.25, 3.69 A)
&rst
ixpk= 1412, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 92, 93, 94,
igr2= 573, 574, 575,
&end
#
# 36 MET HB3 38 ILE QD1 4.50 (# 1413:25 Preassigned 2.96, 4.06 A)
&rst
ixpk= 1413, nxpk= 25, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 580, 581, 582,
&end
#
# 26 GLN HB3 22 ILE QG2 4.50 (# 1414:25 Preassigned 4.17, 5.11 A)
&rst
ixpk= 1414, nxpk= 25, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 317, 318, 319,
&end
#
# 26 GLN HB3 22 ILE QD1 5.50 (# 1415:25 Preassigned 4.51, 5.85 A)
&rst
ixpk= 1415, nxpk= 25, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 324, 325, 326,
&end
#
# 0 AMB 25-3:1416 37 ILE HA 5.50 (# 1416:25 Single Ambig)
&rst
ixpk= 1416, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 590, 591, 92, 93, 94, 540,
&end
#
# 36 MET HB3 36 MET HA 3.50 (# 1417:25 Preassigned 2.53, 2.56 A)
&rst
ixpk= 1417, nxpk= 25, iat= 540, 537, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LYS HD- 53 LYS QE 3.50 (# 1418:25 Preassigned 2.38, 2.72 A)
&rst
ixpk= 1418, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 819, 820,
igr2= 822, 823,
&end
#
# 36 MET HB3 36 MET HG+ 4.50 (# 1419:25 Preassigned 2.45, 2.75 A)
&rst
ixpk= 1419, nxpk= 25, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 542, 543,
&end
#
# 36 MET HB3 36 MET HG- 4.50 (# 1420:25 Preassigned 2.45, 2.75 A)
&rst
ixpk= 1420, nxpk= 25, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 542, 543,
&end
#
# 0 AMB 25-3:1421 0 AMB 25-1:1421 2.80 (# 1421:25 Double Ambig)
&rst
ixpk= 1421, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1029, 334,
igr2=1032,1033, 337, 338,
&end
#
# 0 AMB 25-3:1422 0 AMB 25-1:1422 4.50 (# 1422:25 Double Ambig)
&rst
ixpk= 1422, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 819, 820, 792,
igr2= 816, 817, 816, 817,
&end
#
# 0 AMB 25-3:1423 52 LYS HG- 4.50 (# 1423:25 Single Ambig)
&rst
ixpk= 1423, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 819, 820, 792,
igr2= 816, 817,
&end
#
# 0 AMB 25-3:1424 0 AMB 25-1:1424 5.50 (# 1424:25 Double Ambig)
&rst
ixpk= 1424, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 860, 861, 819, 820,
igr2= 177, 813,
&end
#
# 53 LYS HD- 53 LYS HB2 5.50 (# 1425:25 Preassigned 3.62, 3.74 A)
&rst
ixpk= 1425, nxpk= 25, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 819, 820,
&end
#
# 21 GLN QB 47 ILE QG2 5.50 (# 1427:25 Preassigned 4.24, 6.24 A)
&rst
ixpk= 1427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 298, 299,
igr2= 705, 706, 707,
&end
#
# 6 GLN HB- 6 GLN HA 3.50 (# 1428:25 Preassigned 2.29, 2.58 A)
&rst
ixpk= 1428, nxpk= 25, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 68, 69,
&end
#
# 6 GLN HB- 5 ILE HA 5.50 (# 1429:25 Preassigned 4.07, 4.95 A)
&rst
ixpk= 1429, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 68, 69,
&end
#
# 55 GLU HG- 55 GLU HA 4.50 (# 1430:25 Preassigned 2.48, 2.99 A)
&rst
ixpk= 1430, nxpk= 25, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 860, 861,
&end
#
# 0 AMB 25-3:1431 0 AMB 25-1:1431 2.80 (# 1431:25 Double Ambig)
&rst
ixpk= 1431, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 68, 69, 86,
igr2= 71, 72, 71, 72,
&end
#
# 7 MET HB3 7 MET QG 3.50 (# 1432:25 Preassigned 2.26, 2.72 A)
&rst
ixpk= 1432, nxpk= 25, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 88, 89,
&end
#
# 37 GLU HG+ 37 GLU HB2 2.80 (# 1433:25 Preassigned 2.58, 2.82 A)
&rst
ixpk= 1433, nxpk= 25, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 559, 560,
&end
#
# 55 GLU HG- 55 GLU QB 2.80 (# 1434:25 Preassigned 2.26, 2.71 A)
&rst
ixpk= 1434, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 860, 861,
igr2= 857, 858,
&end
#
# 37 GLU HG+ 37 GLU HB3 2.80 (# 1435:25 Preassigned 2.30, 2.45 A)
&rst
ixpk= 1435, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 559, 560,
&end
#
# 37 GLU HG+ 30 ILE QG2 4.50 (# 1436:25 Preassigned 3.49, 4.34 A)
&rst
ixpk= 1436, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 559, 560,
igr2= 438, 439, 440,
&end
#
# 55 GLU HG- 14 VAL QG2 3.50 (# 1437:25 Preassigned 2.53, 4.72 A)
&rst
ixpk= 1437, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 860, 861,
igr2= 204, 205, 206,
&end
#
# 7 MET HB3 31 LEU HG 5.50 (# 1438:25 Unique 3.80, 5.08 A)
&rst
ixpk= 1438, nxpk= 25, iat= 86, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HB3 0 AMB 25-1:1439 5.50 (# 1439:25 Single Ambig)
&rst
ixpk= 1439, nxpk= 25, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 7 MET HB3 7 MET HA 3.50 (# 1440:25 Preassigned 2.38, 2.43 A)
&rst
ixpk= 1440, nxpk= 25, iat= 86, 83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 LYS HB3 35 LYS HA 2.80 (# 1441:25 Preassigned 2.44, 2.45 A)
&rst
ixpk= 1441, nxpk= 25, iat= 518, 515, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 LYS HB3 35 LYS HG- 4.50 (# 1444:25 Unique 2.29, 2.74 A)
&rst
ixpk= 1444, nxpk= 25, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 520, 521,
&end
#
# 0 AMB 25-3:1445 49 GLU HA 3.50 (# 1445:25 Single Ambig)
&rst
ixpk= 1445, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 763, 764, 760,
&end
#
# 50 GLU HG- 52 LYS QD 4.50 (# 1446:25 Preassigned 2.29, 4.04 A)
&rst
ixpk= 1446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 763, 764,
igr2= 797, 798,
&end
#
# 50 GLU HB2 49 LYS HB3 5.50 (# 1447:25 Preassigned 3.73, 4.01 A)
&rst
ixpk= 1447, nxpk= 25, iat= 760, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HG- 32 GLU HB2 3.50 (# 1448:25 Preassigned 2.30, 2.68 A)
&rst
ixpk= 1448, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 477, 478,
&end
#
# 35 LYS HB3 35 LYS HG+ 3.50 (# 1449:25 Preassigned 2.29, 2.74 A)
&rst
ixpk= 1449, nxpk= 25, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 520, 521,
&end
#
# 50 GLU HG- 52 LYS HG+ 5.50 (# 1450:25 Preassigned 3.61, 5.60 A)
&rst
ixpk= 1450, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 763, 764,
igr2= 794, 795,
&end
#
# 44 ARG HB2 44 ARG HA 3.50 (# 1451:25 Preassigned 2.37, 2.46 A)
&rst
ixpk= 1451, nxpk= 25, iat= 661, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 ARG HB2 44 ARG QD 4.50 (# 1452:25 Preassigned 2.65, 3.39 A)
&rst
ixpk= 1452, nxpk= 25, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 667, 668,
&end
#
# 44 ARG HB2 44 ARG HG+ 4.50 (# 1453:25 Preassigned 2.31, 2.73 A)
&rst
ixpk= 1453, nxpk= 25, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 664, 665,
&end
#
# 44 ARG HB2 68 LEU QD1 5.50 (# 1454:25 Preassigned 4.56, 4.99 A)
&rst
ixpk= 1454, nxpk= 25, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1049,1050,1051,
&end
#
# 64 VAL HB 64 VAL HA 4.50 (# 1455:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 1455, nxpk= 25, iat= 975, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1456 3 SER HB2 5.50 (# 1456:25 Single Ambig)
&rst
ixpk= 1456, nxpk= 25, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 49, 975,
&end
#
# 0 AMB 25-3:1457 0 AMB 25-1:1457 4.50 (# 1457:25 Double Ambig)
&rst
ixpk= 1457, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 49, 975,
igr2= 964, 800, 801,
&end
#
# 5 ILE HB 63 ASP HB2 5.50 (# 1458:25 Preassigned 4.21, 4.35 A)
&rst
ixpk= 1458, nxpk= 25, iat= 49, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HB 63 ASP HB2 5.50 (# 1459:25 Preassigned 4.21, 4.35 A)
&rst
ixpk= 1459, nxpk= 25, iat= 49, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL HB 64 VAL QG2 2.80 (# 1460:25 Preassigned 2.45, 2.67 A)
&rst
ixpk= 1460, nxpk= 25, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 981, 982, 983,
&end
#
# 64 VAL HB 64 VAL QG1 2.80 (# 1461:25 Preassigned 2.42, 2.67 A)
&rst
ixpk= 1461, nxpk= 25, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 977, 978, 979,
&end
#
# 38 ILE HB 38 ILE HA 4.50 (# 1462:25 Preassigned 3.06, 3.06 A)
&rst
ixpk= 1462, nxpk= 25, iat= 571, 569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ILE HB 5 ILE HA 4.50 (# 1463:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 1463, nxpk= 25, iat= 49, 47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 ILE HB 31 LEU HB3 3.50 (# 1464:25 Preassigned 2.75, 2.85 A)
&rst
ixpk= 1464, nxpk= 25, iat= 571, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1465 0 AMB 25-1:1465 3.50 (# 1465:25 Double Ambig)
&rst
ixpk= 1465, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 49, 571,
igr2= 55, 56, 577, 578,
&end
#
# 0 AMB 25-3:1466 30 LEU HB2 4.50 (# 1466:25 Single Ambig)
&rst
ixpk= 1466, nxpk= 25, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 571, 49,
&end
#
# 38 ILE HB 38 ILE HG1- 4.50 (# 1467:25 Preassigned 2.69, 2.86 A)
&rst
ixpk= 1467, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 577, 578,
&end
#
# 38 ILE HB 30 ILE HG1- 7.00 (# 1468:25 Preassigned 6.52, 7.30 A)
&rst
ixpk= 1468, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 442, 443,
&end
#
# 5 ILE HB 5 ILE QG2 2.80 (# 1469:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 1469, nxpk= 25, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 51, 52, 53,
&end
#
# 38 ILE HB 38 ILE QG2 2.80 (# 1470:25 Preassigned 2.44, 2.67 A)
&rst
ixpk= 1470, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 573, 574, 575,
&end
#
# 38 ILE HB 38 ILE QD1 3.50 (# 1471:25 Preassigned 2.51, 3.01 A)
&rst
ixpk= 1471, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 580, 581, 582,
&end
#
# 5 ILE HB 5 ILE QD1 3.50 (# 1472:25 Preassigned 2.43, 3.78 A)
&rst
ixpk= 1472, nxpk= 25, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 58, 59, 60,
&end
#
# 5 ILE HB 59 VAL QG2 5.50 (# 1473:25 Preassigned 4.13, 4.95 A)
&rst
ixpk= 1473, nxpk= 25, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 55 GLU QB 55 GLU HA 2.80 (# 1474:25 Preassigned 2.40, 2.75 A)
&rst
ixpk= 1474, nxpk= 25, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 857, 858,
&end
#
# 7 MET HB2 7 MET QG 4.50 (# 1475:25 Preassigned 2.30, 2.56 A)
&rst
ixpk= 1475, nxpk= 25, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 88, 89,
&end
#
# 55 GLU QB 55 GLU HG+ 3.50 (# 1476:25 Preassigned 2.26, 2.71 A)
&rst
ixpk= 1476, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 857, 858,
igr2= 860, 861,
&end
#
# 61 GLU HB3 61 GLU HG+ 2.80 (# 1477:25 Preassigned 2.52, 2.80 A)
&rst
ixpk= 1477, nxpk= 25, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 944, 945,
&end
#
# 41 VAL HB 27 GLU HB- 5.50 (# 1478:25 Preassigned 4.91, 5.66 A)
&rst
ixpk= 1478, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 395, 396,
&end
#
# 61 GLU HB3 61 GLU HG- 2.80 (# 1479:25 Preassigned 2.52, 2.80 A)
&rst
ixpk= 1479, nxpk= 25, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 944, 945,
&end
#
# 55 GLU QB 55 GLU HG- 2.80 (# 1480:25 Preassigned 2.26, 2.71 A)
&rst
ixpk= 1480, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 857, 858,
igr2= 860, 861,
&end
#
# 53 LYS HB3 59 VAL QG1 3.50 (# 1481:25 Preassigned 3.74, 4.05 A)
&rst
ixpk= 1481, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 913, 914, 915,
&end
#
# 38 ILE HB 0 AMB 25-1:1482 4.50 (# 1482:25 Single Ambig)
&rst
ixpk= 1482, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 0 AMB 25-3:1483 26 GLU HA 5.50 (# 1483:25 Single Ambig)
&rst
ixpk= 1483, nxpk= 25, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 623, 593, 594,
&end
#
# 3 VAL HB 3 VAL HA 5.50 (# 1484:25 Preassigned 3.01, 3.04 A)
&rst
ixpk= 1484, nxpk= 25, iat= 22, 20, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HB2 7 MET HA 3.50 (# 1485:25 Preassigned 2.43, 2.60 A)
&rst
ixpk= 1485, nxpk= 25, iat= 85, 83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 VAL HB 40 ILE HA 7.00 (# 1486:25 Preassigned 5.57, 5.61 A)
&rst
ixpk= 1486, nxpk= 25, iat= 623, 602, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 41 VAL HB 25 GLY HA- 5.50 (# 1487:25 Preassigned 2.41, 3.33 A)
&rst
ixpk= 1487, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 369, 370,
&end
#
# 53 LYS HB3 57 ASP HB3 5.50 (# 1488:25 Preassigned 2.82, 3.18 A)
&rst
ixpk= 1488, nxpk= 25, iat= 814, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HB3 57 ASP HB3 5.50 (# 1489:25 Preassigned 2.82, 3.18 A)
&rst
ixpk= 1489, nxpk= 25, iat= 814, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HB3 57 ASP HB2 5.50 (# 1490:25 Preassigned 3.73, 4.26 A)
&rst
ixpk= 1490, nxpk= 25, iat= 814, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PRO HB- 39 PRO HG+ 3.50 (# 1491:25 Preassigned 2.34, 2.63 A)
&rst
ixpk= 1491, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 593, 594,
igr2= 590, 591,
&end
#
# 39 PRO HB- 39 PRO HG- 2.80 (# 1492:25 Preassigned 2.34, 2.63 A)
&rst
ixpk= 1492, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 593, 594,
igr2= 590, 591,
&end
#
# 3 VAL HB 65 LEU HB3 5.50 (# 1493:25 Preassigned 3.11, 3.35 A)
&rst
ixpk= 1493, nxpk= 25, iat= 22, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1494 41 ALA QB 5.50 (# 1494:25 Single Ambig)
&rst
ixpk= 1494, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 623, 22,
igr2= 639, 640, 641,
&end
#
# 7 MET HB2 8 ALA QB 5.50 (# 1495:25 Preassigned 4.49, 5.41 A)
&rst
ixpk= 1495, nxpk= 25, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 102, 103, 104,
&end
#
# 53 LYS HB3 53 LYS HG+ 3.50 (# 1496:25 Preassigned 2.46, 2.76 A)
&rst
ixpk= 1496, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 816, 817,
&end
#
# 53 LYS HB3 53 LYS HG+ 4.50 (# 1497:25 Preassigned 2.46, 2.76 A)
&rst
ixpk= 1497, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 816, 817,
&end
#
# 53 LYS HB3 53 LYS HG- 3.50 (# 1498:25 Preassigned 2.46, 2.76 A)
&rst
ixpk= 1498, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 816, 817,
&end
#
# 3 VAL HB 3 VAL QG1 2.80 (# 1499:25 Preassigned 2.45, 2.66 A)
&rst
ixpk= 1499, nxpk= 25, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 24, 25, 26,
&end
#
# 3 VAL HB 3 VAL QG2 2.80 (# 1500:25 Preassigned 2.42, 2.66 A)
&rst
ixpk= 1500, nxpk= 25, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 28, 29, 30,
&end
#
# 0 AMB 25-3:1501 0 AMB 25-1:1501 4.50 (# 1501:25 Double Ambig)
&rst
ixpk= 1501, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 22, 814,
igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
1001,1002,
&end
#
# 41 VAL HB 41 VAL QG2 2.80 (# 1502:25 Preassigned 2.40, 2.64 A)
&rst
ixpk= 1502, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 629, 630, 631,
&end
#
# 3 VAL HB 66 LEU QD+ 5.50 (# 1503:25 Preassigned 2.18, 3.61 A)
&rst
ixpk= 1503, nxpk= 25, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 3 VAL HB 66 LEU QD- 4.50 (# 1504:25 Preassigned 2.18, 3.61 A)
&rst
ixpk= 1504, nxpk= 25, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 41 VAL HB 41 VAL QG1 2.80 (# 1505:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 1505, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 625, 626, 627,
&end
#
# 0 AMB 25-3:1506 64 LEU QD- 5.50 (# 1506:25 Single Ambig)
&rst
ixpk= 1506, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 22, 814,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:1507 39 ILE QG2 5.50 (# 1507:25 Single Ambig)
&rst
ixpk= 1507, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 22, 623,
igr2= 606, 607, 608,
&end
#
# 53 LYS HB3 11 LEU QD+ 4.50 (# 1508:25 Preassigned 2.17, 4.09 A)
&rst
ixpk= 1508, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:1509 0 AMB 25-1:1509 3.50 (# 1509:25 Double Ambig)
&rst
ixpk= 1509, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 814, 85,
igr2= 138, 139, 140, 142, 143, 144, 458,
&end
#
# 39 PRO HB- 39 PRO HD+ 4.50 (# 1510:25 Preassigned 2.87, 3.70 A)
&rst
ixpk= 1510, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 593, 594,
igr2= 587, 588,
&end
#
# 39 PRO HB- 39 PRO HD- 4.50 (# 1511:25 Preassigned 2.87, 3.70 A)
&rst
ixpk= 1511, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 593, 594,
igr2= 587, 588,
&end
#
# 61 GLU HB2 61 GLU HA 3.50 (# 1512:25 Preassigned 2.41, 2.44 A)
&rst
ixpk= 1512, nxpk= 25, iat= 941, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LYS HB3 53 LYS QE 5.50 (# 1513:25 Preassigned 4.28, 4.52 A)
&rst
ixpk= 1513, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 822, 823,
&end
#
# 39 PRO HB- 27 GLU HG- 5.50 (# 1514:25 Preassigned 2.62, 4.07 A)
&rst
ixpk= 1514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 593, 594,
igr2= 398, 399,
&end
#
# 0 AMB 25-3:1515 27 VAL QG1 5.50 (# 1515:25 Single Ambig)
&rst
ixpk= 1515, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 22, 623,
igr2= 412, 413, 414,
&end
#
# 17 LYS QB 17 LYS HA 2.80 (# 1516:25 Preassigned 2.42, 2.46 A)
&rst
ixpk= 1516, nxpk= 25, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 247, 248,
&end
#
# 0 AMB 25-3:1517 49 GLU HA 4.50 (# 1517:25 Single Ambig)
&rst
ixpk= 1517, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 761,1030,
&end
#
# 0 AMB 25-3:1518 0 AMB 25-1:1518 4.50 (# 1518:25 Double Ambig)
&rst
ixpk= 1518, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1030, 761,
igr2= 800, 801, 800, 801,
&end
#
# 39 PRO HB- 27 GLU HB- 5.50 (# 1519:25 Preassigned 3.41, 5.07 A)
&rst
ixpk= 1519, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 593, 594,
igr2= 395, 396,
&end
#
# 50 GLU HB3 52 LYS QD 3.50 (# 1520:25 Preassigned 2.57, 3.88 A)
&rst
ixpk= 1520, nxpk= 25, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 797, 798,
&end
#
# 17 LYS QB 17 LYS HG- 2.80 (# 1521:25 Preassigned 2.27, 2.76 A)
&rst
ixpk= 1521, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 247, 248,
igr2= 250, 251,
&end
#
# 0 AMB 25-3:1522 17 ALA QB 4.50 (# 1522:25 Single Ambig)
&rst
ixpk= 1522, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 247, 248, 761,
igr2= 269, 270, 271,
&end
#
# 17 LYS QB 17 LYS HG+ 2.80 (# 1523:25 Preassigned 2.27, 2.76 A)
&rst
ixpk= 1523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 247, 248,
igr2= 250, 251,
&end
#
# 0 AMB 25-3:1524 29 ILE QD1 5.50 (# 1524:25 Single Ambig)
&rst
ixpk= 1524, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 557, 593, 594,
igr2= 445, 446, 447,
&end
#
# 37 GLU HB3 30 ILE QG2 2.80 (# 1525:25 Preassigned 2.48, 2.71 A)
&rst
ixpk= 1525, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 438, 439, 440,
&end
#
# 17 LYS QB 16 VAL QG2 5.50 (# 1526:25 Preassigned 5.41, 6.83 A)
&rst
ixpk= 1526, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 247, 248,
igr2= 237, 238, 239,
&end
#
# 52 LYS HB2 52 LYS HA 4.50 (# 1527:25 Preassigned 3.03, 3.04 A)
&rst
ixpk= 1527, nxpk= 25, iat= 791, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HB3 38 ILE HB 3.50 (# 1528:25 Preassigned 2.75, 2.85 A)
&rst
ixpk= 1528, nxpk= 25, iat= 456, 571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 LYS HB2 52 LYS HG- 3.50 (# 1529:25 Preassigned 2.40, 2.44 A)
&rst
ixpk= 1529, nxpk= 25, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 794, 795,
&end
#
# 0 AMB 25-3:1530 0 AMB 25-1:1530 2.80 (# 1530:25 Double Ambig)
&rst
ixpk= 1530, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 791,1030,
igr2= 794, 795, 794, 795,
&end
#
# 0 AMB 25-3:1531 37 ILE QD1 4.50 (# 1531:25 Single Ambig)
&rst
ixpk= 1531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 456, 557,
igr2= 580, 581, 582,
&end
#
# 0 AMB 25-3:1532 50 VAL QG2 4.50 (# 1532:25 Single Ambig)
&rst
ixpk= 1532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 247, 248, 761,
igr2= 781, 782, 783,
&end
#
# 52 LYS HB2 64 VAL QG1 3.50 (# 1533:25 Unique 2.42, 3.84 A)
&rst
ixpk= 1533, nxpk= 25, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 977, 978, 979,
&end
#
# 31 LEU HB3 40 ILE QD1 4.50 (# 1534:25 Preassigned 2.47, 3.60 A)
&rst
ixpk= 1534, nxpk= 25, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 613, 614, 615,
&end
#
# 0 AMB 25-3:1535 58 VAL QG2 5.50 (# 1535:25 Single Ambig)
&rst
ixpk= 1535, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 134, 456,
igr2= 917, 918, 919,
&end
#
# 31 LEU HB3 0 AMB 25-1:1536 4.50 (# 1536:25 Single Ambig)
&rst
ixpk= 1536, nxpk= 25, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 54 LYS QB 54 LYS HA 2.80 (# 1537:25 Preassigned 2.40, 2.46 A)
&rst
ixpk= 1537, nxpk= 25, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 835, 836,
&end
#
# 11 LEU HB3 11 LEU HA 4.50 (# 1538:25 Preassigned 2.68, 2.98 A)
&rst
ixpk= 1538, nxpk= 25, iat= 134, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HB2 51 VAL HA 4.50 (# 1539:25 Unique 2.42, 2.78 A)
&rst
ixpk= 1539, nxpk= 25, iat=1010, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HB3 55 GLU HA 4.50 (# 1540:25 Preassigned 2.64, 3.60 A)
&rst
ixpk= 1540, nxpk= 25, iat= 134, 855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1542 0 AMB 25-1:1542 2.80 (# 1542:25 Double Ambig)
&rst
ixpk= 1542, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 761, 335,1030,
igr2=1032,1033, 337, 338,1032,1033,
&end
#
# 23 GLU HB3 26 GLN HB2 5.50 (# 1543:25 Preassigned 2.38, 2.70 A)
&rst
ixpk= 1543, nxpk= 25, iat= 335, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1544 0 AMB 25-1:1544 2.80 (# 1544:25 Double Ambig)
&rst
ixpk= 1544, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 761, 335,1030,
igr2=1032,1033, 337, 338,1032,1033,
&end
#
# 23 GLU HB3 26 GLN HB3 5.50 (# 1545:25 Preassigned 3.53, 3.98 A)
&rst
ixpk= 1545, nxpk= 25, iat= 335, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HB3 26 GLN HB3 5.50 (# 1546:25 Preassigned 3.53, 3.98 A)
&rst
ixpk= 1546, nxpk= 25, iat= 335, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1548 13 VAL QG1 5.50 (# 1548:25 Single Ambig)
&rst
ixpk= 1548, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 835, 836, 134,1010,
igr2= 200, 201, 202,
&end
#
# 11 LEU HB3 11 LEU QD+ 4.50 (# 1549:25 Preassigned 2.35, 3.44 A)
&rst
ixpk= 1549, nxpk= 25, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:1550 0 AMB 25-1:1550 2.80 (# 1550:25 Double Ambig)
&rst
ixpk= 1550, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 134, 456,
igr2= 138, 139, 140, 142, 143, 144, 458,
&end
#
# 66 LEU HB2 66 LEU QD+ 4.50 (# 1551:25 Preassigned 2.34, 3.25 A)
&rst
ixpk= 1551, nxpk= 25, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 66 LEU HB2 66 LEU QD- 4.50 (# 1552:25 Preassigned 2.34, 3.25 A)
&rst
ixpk= 1552, nxpk= 25, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 66 LEU HB2 48 VAL QG1 4.50 (# 1553:25 Preassigned 2.37, 3.35 A)
&rst
ixpk= 1553, nxpk= 25, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 724, 725, 726,
&end
#
# 44 ARG HB3 44 ARG HA 2.80 (# 1554:25 Preassigned 2.40, 2.45 A)
&rst
ixpk= 1554, nxpk= 25, iat= 662, 659, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 ARG HB3 44 ARG QD 4.50 (# 1555:25 Preassigned 2.32, 3.28 A)
&rst
ixpk= 1555, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 667, 668,
&end
#
# 44 ARG HB3 44 ARG HG+ 2.80 (# 1556:25 Preassigned 2.34, 2.79 A)
&rst
ixpk= 1556, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 664, 665,
&end
#
# 54 LYS QD 54 LYS HG- 2.80 (# 1557:25 Preassigned 2.36, 2.72 A)
&rst
ixpk= 1557, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 841, 842,
igr2= 838, 839,
&end
#
# 68 LEU HB3 68 LEU QD1 3.50 (# 1558:25 Preassigned 2.46, 3.12 A)
&rst
ixpk= 1558, nxpk= 25, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1049,1050,1051,
&end
#
# 30 ILE HB 30 ILE HA 4.50 (# 1559:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 1559, nxpk= 25, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 LEU HB3 46 GLY HA- 5.50 (# 1560:25 Preassigned 2.68, 3.73 A)
&rst
ixpk= 1560, nxpk= 25, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 694, 695,
&end
#
# 30 ILE HB 29 ALA HA 5.50 (# 1561:25 Preassigned 4.44, 4.48 A)
&rst
ixpk= 1561, nxpk= 25, iat= 436, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1562 23 LYS HA 4.50 (# 1562:25 Single Ambig)
&rst
ixpk= 1562, nxpk= 25, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 350, 355, 356,
&end
#
# 0 AMB 25-3:1563 11 TRP HB2 5.50 (# 1563:25 Single Ambig)
&rst
ixpk= 1563, nxpk= 25, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 559, 560, 436,
&end
#
# 0 AMB 25-3:1564 0 AMB 25-1:1564 2.80 (# 1564:25 Double Ambig)
&rst
ixpk= 1564, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 253, 254, 841, 842,
igr2= 256, 257, 844, 845,
&end
#
# 30 ILE HB 12 TRP HB3 5.50 (# 1565:25 Preassigned 2.35, 2.47 A)
&rst
ixpk= 1565, nxpk= 25, iat= 436, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HG- 37 GLU HB2 2.80 (# 1566:25 Preassigned 2.58, 2.82 A)
&rst
ixpk= 1566, nxpk= 25, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 559, 560,
&end
#
# 37 GLU HG- 37 GLU HB3 2.80 (# 1567:25 Preassigned 2.30, 2.45 A)
&rst
ixpk= 1567, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 559, 560,
&end
#
# 17 LYS QD 17 LYS HG- 2.80 (# 1568:25 Preassigned 2.38, 2.73 A)
&rst
ixpk= 1568, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 253, 254,
igr2= 250, 251,
&end
#
# 54 LYS QD 54 LYS HG+ 2.80 (# 1569:25 Preassigned 2.36, 2.72 A)
&rst
ixpk= 1569, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 841, 842,
igr2= 838, 839,
&end
#
# 30 ILE HB 30 ILE HG1+ 2.80 (# 1570:25 Preassigned 2.49, 2.78 A)
&rst
ixpk= 1570, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 442, 443,
&end
#
# 30 ILE HB 13 LYS HB3 4.50 (# 1571:25 Preassigned 4.42, 4.51 A)
&rst
ixpk= 1571, nxpk= 25, iat= 436, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LYS QD 17 LYS HG+ 2.80 (# 1572:25 Preassigned 2.38, 2.73 A)
&rst
ixpk= 1572, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 253, 254,
igr2= 250, 251,
&end
#
# 30 ILE HB 13 LYS HB2 4.50 (# 1573:25 Preassigned 2.73, 2.85 A)
&rst
ixpk= 1573, nxpk= 25, iat= 436, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HB 30 ILE QD1 3.50 (# 1574:25 Preassigned 2.53, 3.18 A)
&rst
ixpk= 1574, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 445, 446, 447,
&end
#
# 0 AMB 25-3:1575 29 ILE QG2 2.80 (# 1575:25 Single Ambig)
&rst
ixpk= 1575, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 436, 559, 560,
igr2= 438, 439, 440,
&end
#
# 0 AMB 25-3:1577 68 SER HA 4.50 (# 1577:25 Single Ambig)
&rst
ixpk= 1577, nxpk= 25, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 738, 744, 745,
&end
#
# 0 AMB 25-3:1578 48 LYS HA 3.50 (# 1578:25 Single Ambig)
&rst
ixpk= 1578, nxpk= 25, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 744, 745, 738,
&end
#
# 68 LEU HB3 46 GLY HA+ 5.50 (# 1579:25 Preassigned 2.68, 3.73 A)
&rst
ixpk= 1579, nxpk= 25, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 694, 695,
&end
#
# 0 AMB 25-3:1580 68 SER QB 3.50 (# 1580:25 Single Ambig)
&rst
ixpk= 1580, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 703, 738,
igr2=1063,1064,
&end
#
# 0 AMB 25-3:1581 47 VAL HA 5.50 (# 1581:25 Single Ambig)
&rst
ixpk= 1581, nxpk= 25, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1045, 738, 703,
&end
#
# 0 AMB 25-3:1582 23 LYS QE 2.80 (# 1582:25 Single Ambig)
&rst
ixpk= 1582, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 350, 355, 356,
igr2= 358, 359,
&end
#
# 0 AMB 25-3:1583 48 LYS HG- 2.80 (# 1583:25 Single Ambig)
&rst
ixpk= 1583, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 738, 744, 745,
igr2= 741, 742,
&end
#
# 0 AMB 25-3:1584 23 LYS QG 2.80 (# 1584:25 Single Ambig)
&rst
ixpk= 1584, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 355, 356, 350,
igr2= 352, 353,
&end
#
# 47 ILE HB 47 ILE HG1- 3.50 (# 1585:25 Preassigned 2.38, 2.44 A)
&rst
ixpk= 1585, nxpk= 25, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 709, 710,
&end
#
# 22 ILE HB 22 ILE HG1- 4.50 (# 1586:25 Preassigned 2.38, 2.73 A)
&rst
ixpk= 1586, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 68 LEU HB3 68 LEU QD2 3.50 (# 1587:25 Preassigned 2.46, 3.13 A)
&rst
ixpk= 1587, nxpk= 25, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1053,1054,1055,
&end
#
# 35 LYS HD+ 35 LYS HA 4.50 (# 1588:25 Preassigned 2.28, 4.05 A)
&rst
ixpk= 1588, nxpk= 25, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 523, 524,
&end
#
# 53 LYS HD+ 57 ASP HB2 5.50 (# 1589:25 Preassigned 3.83, 4.51 A)
&rst
ixpk= 1589, nxpk= 25, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 819, 820,
&end
#
# 0 AMB 25-3:1590 56 ASP HB2 5.50 (# 1590:25 Single Ambig)
&rst
ixpk= 1590, nxpk= 25, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 841, 842, 819, 820,
&end
#
# 32 GLU HG+ 32 GLU HB3 4.50 (# 1591:25 Preassigned 2.52, 2.80 A)
&rst
ixpk= 1591, nxpk= 25, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 477, 478,
&end
#
# 53 LYS HD+ 53 LYS HB3 4.50 (# 1592:25 Preassigned 2.36, 2.72 A)
&rst
ixpk= 1592, nxpk= 25, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 819, 820,
&end
#
# 32 GLU HG+ 32 GLU HB2 2.80 (# 1593:25 Preassigned 2.30, 2.68 A)
&rst
ixpk= 1593, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 477, 478,
&end
#
# 53 LYS HD+ 59 VAL QG1 4.50 (# 1594:25 Preassigned 2.52, 3.74 A)
&rst
ixpk= 1594, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 819, 820,
igr2= 913, 914, 915,
&end
#
# 22 ILE HB 22 ILE QG2 2.80 (# 1595:25 Preassigned 2.40, 2.65 A)
&rst
ixpk= 1595, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 317, 318, 319,
&end
#
# 47 ILE HB 47 ILE QG2 2.80 (# 1596:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 1596, nxpk= 25, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 705, 706, 707,
&end
#
# 53 LYS HD+ 11 LEU QD- 4.50 (# 1597:25 Preassigned 2.93, 5.94 A)
&rst
ixpk= 1597, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 819, 820,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:1598 64 LEU HA 4.50 (# 1598:25 Single Ambig)
&rst
ixpk= 1598, nxpk= 25, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 992,1011,
&end
#
# 40 ILE HB 40 ILE HA 4.50 (# 1599:25 Preassigned 3.03, 3.04 A)
&rst
ixpk= 1599, nxpk= 25, iat= 604, 602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HB3 51 VAL HA 4.50 (# 1600:25 Preassigned 2.40, 2.67 A)
&rst
ixpk= 1600, nxpk= 25, iat=1011, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1601 34 LYS HB2 4.50 (# 1601:25 Single Ambig)
&rst
ixpk= 1601, nxpk= 25, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 523, 524, 523, 524,
&end
#
# 35 LYS HD+ 35 LYS HB3 4.50 (# 1602:25 Preassigned 2.45, 2.98 A)
&rst
ixpk= 1602, nxpk= 25, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 523, 524,
&end
#
# 65 LEU HB3 3 VAL HB 4.50 (# 1603:25 Preassigned 3.11, 3.35 A)
&rst
ixpk= 1603, nxpk= 25, iat= 992, 22, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ILE HB 29 ALA QB 2.80 (# 1604:25 Preassigned 2.13, 3.21 A)
&rst
ixpk= 1604, nxpk= 25, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 426, 427, 428,
&end
#
# 40 ILE HB 40 ILE HG1+ 2.80 (# 1605:25 Preassigned 2.37, 2.42 A)
&rst
ixpk= 1605, nxpk= 25, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 610, 611,
&end
#
# 0 AMB 25-3:1606 13 VAL QG1 4.50 (# 1606:25 Single Ambig)
&rst
ixpk= 1606, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1011, 992,
igr2= 200, 201, 202,
&end
#
# 0 AMB 25-3:1607 0 AMB 25-1:1607 3.50 (# 1607:25 Double Ambig)
&rst
ixpk= 1607, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1011, 992,
igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
1001,1002,
&end
#
# 66 LEU HB3 51 VAL QG2 4.50 (# 1608:25 Preassigned 2.97, 4.21 A)
&rst
ixpk= 1608, nxpk= 25, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 781, 782, 783,
&end
#
# 66 LEU HB3 16 VAL QG2 5.50 (# 1609:25 Preassigned 2.55, 3.82 A)
&rst
ixpk= 1609, nxpk= 25, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 237, 238, 239,
&end
#
# 0 AMB 25-3:1610 0 AMB 25-1:1610 3.50 (# 1610:25 Double Ambig)
&rst
ixpk= 1610, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 992, 604, 819, 820,
igr2= 58, 59, 60, 613, 614, 615,
&end
#
# 0 AMB 25-3:1611 64 LEU QD- 3.50 (# 1611:25 Single Ambig)
&rst
ixpk= 1611, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1011, 992,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:1612 27 VAL QG1 5.50 (# 1612:25 Single Ambig)
&rst
ixpk= 1612, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 604, 992,1011,
igr2= 412, 413, 414,
&end
#
# 66 LEU HB3 48 VAL QG1 4.50 (# 1613:25 Preassigned 3.61, 4.40 A)
&rst
ixpk= 1613, nxpk= 25, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 724, 725, 726,
&end
#
# 42 ALA QB 26 GLN HB3 5.50 (# 1614:25 Preassigned 3.05, 3.71 A)
&rst
ixpk= 1614, nxpk= 25, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 639, 640, 641,
&end
#
# 0 AMB 25-3:1615 0 AMB 25-1:1615 3.50 (# 1615:25 Double Ambig)
&rst
ixpk= 1615, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 992, 639, 640, 641,1011,
igr2= 24, 25, 26, 233, 234, 235,
&end
#
# 42 ALA QB 28 VAL QG2 3.50 (# 1616:25 Unique 2.25, 4.31 A)
&rst
ixpk= 1616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 639, 640, 641,
igr2= 416, 417, 418,
&end
#
# 42 ALA QB 3 VAL QG2 4.50 (# 1617:25 Preassigned 3.14, 5.42 A)
&rst
ixpk= 1617, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 639, 640, 641,
igr2= 28, 29, 30,
&end
#
# 0 AMB 25-3:1618 40 VAL QG2 5.50 (# 1618:25 Single Ambig)
&rst
ixpk= 1618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 639, 640, 641, 604,
igr2= 629, 630, 631,
&end
#
# 0 AMB 25-3:1619 0 AMB 25-1:1619 3.50 (# 1619:25 Double Ambig)
&rst
ixpk= 1619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 992,1011,
igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 0 AMB 25-3:1620 40 VAL QG1 4.50 (# 1620:25 Single Ambig)
&rst
ixpk= 1620, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 604, 639, 640, 641,
igr2= 625, 626, 627,
&end
#
# 42 ALA QB 22 ILE QD1 2.80 (# 1621:25 Preassigned 2.23, 3.70 A)
&rst
ixpk= 1621, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 639, 640, 641,
igr2= 324, 325, 326,
&end
#
# 0 AMB 25-3:1622 67 LEU QD2 4.50 (# 1622:25 Single Ambig)
&rst
ixpk= 1622, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 639, 640, 641,1011,
igr2=1053,1054,1055,
&end
#
# 42 ALA QB 42 ALA HA 2.80 (# 1623:25 Preassigned 2.39, 2.67 A)
&rst
ixpk= 1623, nxpk= 25, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 639, 640, 641,
&end
#
# 49 LYS HG+ 69 SER HA 5.50 (# 1625:25 Unique 2.85, 4.64 A)
&rst
ixpk= 1625, nxpk= 25, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 741, 742,
&end
#
# 44 ARG HG+ 44 ARG QD 3.50 (# 1626:25 Preassigned 2.25, 2.60 A)
&rst
ixpk= 1626, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 664, 665,
igr2= 667, 668,
&end
#
# 52 LYS QD 52 LYS HE+ 5.50 (# 1627:25 Preassigned 2.37, 2.74 A)
&rst
ixpk= 1627, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 797, 798,
igr2= 800, 801,
&end
#
# 44 ARG HG+ 44 ARG HB2 3.50 (# 1628:25 Preassigned 2.31, 2.73 A)
&rst
ixpk= 1628, nxpk= 25, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 664, 665,
&end
#
# 8 ALA QB 61 GLU HB3 4.50 (# 1629:25 Preassigned 4.75, 5.82 A)
&rst
ixpk= 1629, nxpk= 25, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 102, 103, 104,
&end
#
# 8 ALA QB 61 GLU HB2 4.50 (# 1630:25 Preassigned 4.16, 5.33 A)
&rst
ixpk= 1630, nxpk= 25, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 102, 103, 104,
&end
#
# 8 ALA QB 8 ALA HA 2.80 (# 1631:25 Preassigned 2.44, 2.66 A)
&rst
ixpk= 1631, nxpk= 25, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 102, 103, 104,
&end
#
# 24 LYS HB2 44 ARG HA 3.50 (# 1632:25 Preassigned 2.24, 2.34 A)
&rst
ixpk= 1632, nxpk= 25, iat= 349, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HB3 49 LYS HA 3.50 (# 1633:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 1633, nxpk= 25, iat= 739, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 LYS QD 52 LYS HA 3.50 (# 1634:25 Preassigned 2.27, 2.87 A)
&rst
ixpk= 1634, nxpk= 25, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 797, 798,
&end
#
# 0 AMB 25-3:1635 68 SER QB 4.50 (# 1635:25 Single Ambig)
&rst
ixpk= 1635, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 709, 710, 739,
igr2=1063,1064,
&end
#
# 8 ALA QB 60 ASN HB+ 5.50 (# 1636:25 Preassigned 4.81, 5.89 A)
&rst
ixpk= 1636, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 102, 103, 104,
igr2= 927, 928,
&end
#
# 0 AMB 25-3:1637 66 GLU HG- 5.50 (# 1637:25 Single Ambig)
&rst
ixpk= 1637, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 739, 797, 798,
igr2=1032,1033,
&end
#
# 52 LYS QD 0 AMB 25-1:1639 3.50 (# 1639:25 Single Ambig)
&rst
ixpk= 1639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 797, 798,
igr2=1029, 792,
&end
#
# 0 AMB 25-3:1640 49 GLU HB2 5.50 (# 1640:25 Single Ambig)
&rst
ixpk= 1640, nxpk= 25, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 739, 797, 798,
&end
#
# 66 LEU HG 3 VAL HB 4.50 (# 1641:25 Preassigned 2.12, 2.60 A)
&rst
ixpk= 1641, nxpk= 25, iat=1013, 22, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LYS HG- 17 LYS QB 2.80 (# 1642:25 Preassigned 2.27, 2.76 A)
&rst
ixpk= 1642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 250, 251,
igr2= 247, 248,
&end
#
# 52 LYS QD 52 LYS HG- 2.80 (# 1643:25 Preassigned 2.32, 2.70 A)
&rst
ixpk= 1643, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 797, 798,
igr2= 794, 795,
&end
#
# 52 LYS QD 64 VAL QG1 4.50 (# 1644:25 Preassigned 4.14, 5.48 A)
&rst
ixpk= 1644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 797, 798,
igr2= 977, 978, 979,
&end
#
# 0 AMB 25-3:1645 47 VAL HA 5.50 (# 1645:25 Single Ambig)
&rst
ixpk= 1645, nxpk= 25, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1013, 739,
&end
#
# 24 LYS HB2 24 LYS HA 4.50 (# 1646:25 Preassigned 2.47, 2.49 A)
&rst
ixpk= 1646, nxpk= 25, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1647 0 AMB 25-1:1647 4.50 (# 1647:25 Double Ambig)
&rst
ixpk= 1647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 250, 251, 838, 839,
igr2= 256, 257, 844, 845,
&end
#
# 53 LYS HG+ 53 LYS HD- 4.50 (# 1648:25 Preassigned 2.43, 2.77 A)
&rst
ixpk= 1648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 816, 817,
igr2= 819, 820,
&end
#
# 53 LYS HG+ 53 LYS HB3 3.50 (# 1649:25 Preassigned 2.46, 2.76 A)
&rst
ixpk= 1649, nxpk= 25, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 816, 817,
&end
#
# 47 ILE HG1+ 47 ILE HB 3.50 (# 1650:25 Preassigned 2.38, 2.44 A)
&rst
ixpk= 1650, nxpk= 25, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 709, 710,
&end
#
# 0 AMB 25-3:1651 0 AMB 25-1:1651 2.80 (# 1651:25 Double Ambig)
&rst
ixpk= 1651, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 797, 798, 349,
igr2= 794, 795, 352, 353,
&end
#
# 66 LEU HG 66 LEU QD- 2.80 (# 1652:25 Preassigned 2.35, 2.65 A)
&rst
ixpk= 1652, nxpk= 25, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 66 LEU HG 48 VAL QG1 4.50 (# 1653:25 Preassigned 2.69, 5.38 A)
&rst
ixpk= 1653, nxpk= 25, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 724, 725, 726,
&end
#
# 13 LYS HD+ 13 LYS HA 4.50 (# 1654:25 Preassigned 2.18, 3.95 A)
&rst
ixpk= 1654, nxpk= 25, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 182, 183,
&end
#
# 68 LEU HB2 46 GLY HA+ 5.50 (# 1655:25 Preassigned 4.04, 5.18 A)
&rst
ixpk= 1655, nxpk= 25, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 694, 695,
&end
#
# 0 AMB 25-3:1656 45 GLY HA- 5.50 (# 1656:25 Single Ambig)
&rst
ixpk= 1656, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 709, 710,1044,
igr2= 694, 695,
&end
#
# 53 LYS HG+ 53 LYS QE 3.50 (# 1657:25 Preassigned 2.40, 2.97 A)
&rst
ixpk= 1657, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 816, 817,
igr2= 822, 823,
&end
#
# 13 LYS HD+ 13 LYS HE+ 4.50 (# 1658:25 Preassigned 2.36, 2.72 A)
&rst
ixpk= 1658, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 182, 183,
igr2= 185, 186,
&end
#
# 13 LYS HD+ 13 LYS HE- 4.50 (# 1659:25 Preassigned 2.36, 2.72 A)
&rst
ixpk= 1659, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 182, 183,
igr2= 185, 186,
&end
#
# 54 LYS HG+ 54 LYS QB 2.80 (# 1660:25 Preassigned 2.42, 2.78 A)
&rst
ixpk= 1660, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 838, 839,
igr2= 835, 836,
&end
#
# 29 ALA QB 28 VAL QG2 5.50 (# 1661:25 Preassigned 3.54, 6.12 A)
&rst
ixpk= 1661, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 426, 427, 428,
igr2= 416, 417, 418,
&end
#
# 29 ALA QB 16 VAL QG2 5.50 (# 1663:25 Preassigned 4.23, 6.33 A)
&rst
ixpk= 1663, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 426, 427, 428,
igr2= 237, 238, 239,
&end
#
# 13 LYS HD+ 13 LYS HG- 5.50 (# 1664:25 Preassigned 2.40, 2.77 A)
&rst
ixpk= 1664, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 182, 183,
igr2= 179, 180,
&end
#
# 29 ALA QB 28 VAL QG1 5.50 (# 1665:25 Preassigned 2.93, 6.17 A)
&rst
ixpk= 1665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 426, 427, 428,
igr2= 412, 413, 414,
&end
#
# 0 AMB 25-3:1666 0 AMB 25-1:1666 2.80 (# 1666:25 Double Ambig)
&rst
ixpk= 1666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 709, 710, 426, 427, 428,
igr2= 705, 706, 707, 606, 607, 608,
&end
#
# 66 LEU HG 22 ILE QD1 5.50 (# 1667:25 Preassigned 3.15, 4.67 A)
&rst
ixpk= 1667, nxpk= 25, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 324, 325, 326,
&end
#
# 30 ILE HG1+ 30 ILE HA 4.50 (# 1668:25 Preassigned 2.51, 2.74 A)
&rst
ixpk= 1668, nxpk= 25, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 442, 443,
&end
#
# 29 ALA QB 14 VAL HA 3.50 (# 1669:25 Preassigned 2.52, 3.26 A)
&rst
ixpk= 1669, nxpk= 25, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 426, 427, 428,
&end
#
# 29 ALA QB 29 ALA HA 2.80 (# 1670:25 Preassigned 2.46, 2.68 A)
&rst
ixpk= 1670, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 426, 427, 428,
&end
#
# 32 GLU HB2 12 TRP HB2 4.50 (# 1671:25 Preassigned 2.30, 2.41 A)
&rst
ixpk= 1671, nxpk= 25, iat= 474, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1672 11 TRP HB3 5.50 (# 1672:25 Single Ambig)
&rst
ixpk= 1672, nxpk= 25, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 474, 442, 443, 182, 183, 426, 427, 428,
&end
#
# 0 AMB 25-3:1673 9 ASN HB2 5.50 (# 1673:25 Single Ambig)
&rst
ixpk= 1673, nxpk= 25, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 474, 133,
&end
#
# 32 GLU HB2 32 GLU HG- 2.80 (# 1674:25 Preassigned 2.30, 2.68 A)
&rst
ixpk= 1674, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 477, 478,
&end
#
# 30 ILE HG1+ 30 ILE HB 2.80 (# 1675:25 Preassigned 2.49, 2.78 A)
&rst
ixpk= 1675, nxpk= 25, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 442, 443,
&end
#
# 32 GLU HB2 32 GLU HG+ 2.80 (# 1676:25 Preassigned 2.30, 2.68 A)
&rst
ixpk= 1676, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 477, 478,
&end
#
# 29 ALA QB 40 ILE HB 3.50 (# 1677:25 Preassigned 2.13, 3.21 A)
&rst
ixpk= 1677, nxpk= 25, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 426, 427, 428,
&end
#
# 0 AMB 25-3:1678 50 VAL QG1 5.50 (# 1678:25 Single Ambig)
&rst
ixpk= 1678, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 816, 817, 426, 427, 428,
igr2= 777, 778, 779,
&end
#
# 30 ILE HG1+ 30 ILE QD1 2.80 (# 1679:25 Preassigned 2.37, 2.65 A)
&rst
ixpk= 1679, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 442, 443,
igr2= 445, 446, 447,
&end
#
# 30 ILE HG1+ 30 ILE QG2 4.50 (# 1680:25 Preassigned 2.48, 3.53 A)
&rst
ixpk= 1680, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 442, 443,
igr2= 438, 439, 440,
&end
#
# 29 ALA QB 14 VAL QG2 2.80 (# 1681:25 Preassigned 2.51, 4.07 A)
&rst
ixpk= 1681, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 426, 427, 428,
igr2= 204, 205, 206,
&end
#
# 11 LEU HB2 59 VAL QG1 3.50 (# 1682:25 Preassigned 2.33, 3.17 A)
&rst
ixpk= 1682, nxpk= 25, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 913, 914, 915,
&end
#
# 0 AMB 25-3:1683 0 AMB 25-1:1683 3.50 (# 1683:25 Double Ambig)
&rst
ixpk= 1683, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 426, 427, 428, 133,
igr2= 58, 59, 60, 613, 614, 615,
&end
#
# 29 ALA QB 11 LEU QD+ 2.80 (# 1684:25 Preassigned 2.21, 4.19 A)
&rst
ixpk= 1684, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 426, 427, 428,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:1685 10 LEU QD- 2.80 (# 1685:25 Single Ambig)
&rst
ixpk= 1685, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 426, 427, 428, 133,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 49 LYS HG+ 49 LYS HA 4.50 (# 1686:25 Preassigned 2.40, 2.90 A)
&rst
ixpk= 1686, nxpk= 25, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 741, 742,
&end
#
# 0 AMB 25-3:1687 64 LEU HA 3.50 (# 1687:25 Single Ambig)
&rst
ixpk= 1687, nxpk= 25, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 994, 55, 56,
&end
#
# 11 LEU HB2 11 LEU HA 3.50 (# 1688:25 Preassigned 2.53, 2.63 A)
&rst
ixpk= 1688, nxpk= 25, iat= 133, 131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE HG1+ 5 ILE HA 4.50 (# 1689:25 Preassigned 2.42, 3.47 A)
&rst
ixpk= 1689, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 55, 56,
&end
#
# 11 LEU HB2 55 GLU HA 5.50 (# 1690:25 Preassigned 3.45, 5.17 A)
&rst
ixpk= 1690, nxpk= 25, iat= 133, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HG1+ 59 VAL HB 5.50 (# 1691:25 Preassigned 2.19, 2.96 A)
&rst
ixpk= 1691, nxpk= 25, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 56,
&end
#
# 5 ILE HG1+ 5 ILE HB 3.50 (# 1692:25 Preassigned 2.39, 2.53 A)
&rst
ixpk= 1692, nxpk= 25, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 55, 56,
&end
#
# 65 LEU HG 65 LEU HB3 3.50 (# 1693:25 Preassigned 2.45, 2.65 A)
&rst
ixpk= 1693, nxpk= 25, iat= 994, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HG+ 49 LYS HD- 2.80 (# 1694:25 Preassigned 2.39, 2.73 A)
&rst
ixpk= 1694, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 741, 742,
igr2= 744, 745,
&end
#
# 5 ILE HG1+ 5 ILE QG2 4.50 (# 1695:25 Preassigned 2.22, 3.39 A)
&rst
ixpk= 1695, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 55, 56,
igr2= 51, 52, 53,
&end
#
# 68 LEU HG 66 LEU QD+ 3.50 (# 1696:25 Preassigned 2.44, 4.32 A)
&rst
ixpk= 1696, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 25-3:1697 64 LEU QD- 2.80 (# 1697:25 Single Ambig)
&rst
ixpk= 1697, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 426, 427, 428, 994, 55, 56,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:1698 58 VAL QG2 4.50 (# 1698:25 Single Ambig)
&rst
ixpk= 1698, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 55, 56, 133,
igr2= 917, 918, 919,
&end
#
# 0 AMB 25-3:1699 0 AMB 25-1:1699 3.50 (# 1699:25 Double Ambig)
&rst
ixpk= 1699, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 55, 56, 55, 56, 133, 577, 578, 577, 578, 474,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 460, 461, 462, 464, 465, 466, 460, 461,
462, 464, 465, 466, 460, 461, 462, 464, 465, 466,
&end
#
# 38 ILE HG1+ 38 ILE HA 4.50 (# 1700:25 Preassigned 2.48, 3.11 A)
&rst
ixpk= 1700, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 577, 578,
&end
#
# 38 ILE HG1+ 33 SER HB3 5.50 (# 1701:25 Preassigned 4.86, 5.60 A)
&rst
ixpk= 1701, nxpk= 25, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 577, 578,
&end
#
# 38 ILE HG1+ 36 MET HB3 5.50 (# 1702:25 Preassigned 3.07, 4.02 A)
&rst
ixpk= 1702, nxpk= 25, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 577, 578,
&end
#
# 38 ILE HG1+ 38 ILE HB 3.50 (# 1703:25 Preassigned 2.69, 2.86 A)
&rst
ixpk= 1703, nxpk= 25, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 577, 578,
&end
#
# 0 AMB 25-3:1704 64 LEU HB2 3.50 (# 1704:25 Single Ambig)
&rst
ixpk= 1704, nxpk= 25, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 994, 55, 56,
&end
#
# 0 AMB 25-3:1705 0 AMB 25-1:1705 4.50 (# 1705:25 Double Ambig)
&rst
ixpk= 1705, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 994,1047,
igr2= 24, 25, 26, 233, 234, 235,
&end
#
# 38 ILE HG1+ 38 ILE QG2 3.50 (# 1706:25 Preassigned 2.25, 3.12 A)
&rst
ixpk= 1706, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 577, 578,
igr2= 573, 574, 575,
&end
#
# 0 AMB 25-3:1707 0 AMB 25-1:1707 2.80 (# 1707:25 Double Ambig)
&rst
ixpk= 1707, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 994, 55, 56,
igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
1001,1002,
&end
#
# 38 ILE HG1+ 38 ILE QD1 3.50 (# 1708:25 Preassigned 2.38, 2.66 A)
&rst
ixpk= 1708, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 577, 578,
igr2= 580, 581, 582,
&end
#
# 68 LEU HG 22 ILE QD1 5.50 (# 1709:25 Preassigned 3.81, 4.75 A)
&rst
ixpk= 1709, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 324, 325, 326,
&end
#
# 68 LEU HG 68 LEU QD1 2.80 (# 1710:25 Preassigned 2.42, 2.65 A)
&rst
ixpk= 1710, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1049,1050,1051,
&end
#
# 68 LEU HG 68 LEU QD2 2.80 (# 1711:25 Preassigned 2.40, 2.65 A)
&rst
ixpk= 1711, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1053,1054,1055,
&end
#
# 0 AMB 25-3:1712 12 LYS HA 3.50 (# 1712:25 Single Ambig)
&rst
ixpk= 1712, nxpk= 25, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 182, 183, 177,
&end
#
# 40 ILE HG1+ 40 ILE HA 4.50 (# 1713:25 Preassigned 3.13, 3.51 A)
&rst
ixpk= 1713, nxpk= 25, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 610, 611,
&end
#
# 0 AMB 25-3:1714 13 VAL HA 5.50 (# 1714:25 Single Ambig)
&rst
ixpk= 1714, nxpk= 25, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 177, 182, 183, 813,
&end
#
# 44 ARG HG- 44 ARG QD 3.50 (# 1715:25 Preassigned 2.25, 2.60 A)
&rst
ixpk= 1715, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 664, 665,
igr2= 667, 668,
&end
#
# 13 LYS HD- 13 LYS HE+ 4.50 (# 1716:25 Preassigned 2.36, 2.72 A)
&rst
ixpk= 1716, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 182, 183,
igr2= 185, 186,
&end
#
# 13 LYS HD- 13 LYS HE- 4.50 (# 1717:25 Preassigned 2.36, 2.72 A)
&rst
ixpk= 1717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 182, 183,
igr2= 185, 186,
&end
#
# 44 ARG HG- 44 ARG HB2 4.50 (# 1718:25 Preassigned 2.31, 2.73 A)
&rst
ixpk= 1718, nxpk= 25, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 664, 665,
&end
#
# 44 ARG HG- 44 ARG HB3 4.50 (# 1719:25 Preassigned 2.34, 2.79 A)
&rst
ixpk= 1719, nxpk= 25, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 664, 665,
&end
#
# 0 AMB 25-3:1720 29 ILE HB 4.50 (# 1720:25 Single Ambig)
&rst
ixpk= 1720, nxpk= 25, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 182, 183, 177, 610, 611,
&end
#
# 40 ILE HG1+ 40 ILE HB 3.50 (# 1721:25 Preassigned 2.37, 2.42 A)
&rst
ixpk= 1721, nxpk= 25, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 610, 611,
&end
#
# 13 LYS HD- 30 ILE QD1 4.50 (# 1722:25 Preassigned 3.20, 5.95 A)
&rst
ixpk= 1722, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 182, 183,
igr2= 445, 446, 447,
&end
#
# 0 AMB 25-3:1723 29 ILE QG2 4.50 (# 1723:25 Single Ambig)
&rst
ixpk= 1723, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 610, 611, 182, 183, 177,
igr2= 438, 439, 440,
&end
#
# 0 AMB 25-3:1724 12 LYS HG- 4.50 (# 1724:25 Single Ambig)
&rst
ixpk= 1724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 182, 183, 177,
igr2= 179, 180,
&end
#
# 40 ILE HG1+ 40 ILE QG2 3.50 (# 1726:25 Preassigned 2.44, 3.55 A)
&rst
ixpk= 1726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 610, 611,
igr2= 606, 607, 608,
&end
#
# 40 ILE HG1+ 30 ILE HA 5.50 (# 1727:25 Unique 2.71, 3.43 A)
&rst
ixpk= 1727, nxpk= 25, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 610, 611,
&end
#
# 31 LEU HB2 9 GLY HA+ 5.50 (# 1728:25 Preassigned 5.51, 6.44 A)
&rst
ixpk= 1728, nxpk= 25, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 31 LEU HB2 9 GLY HA- 7.00 (# 1729:25 Preassigned 5.51, 6.44 A)
&rst
ixpk= 1729, nxpk= 25, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 110, 111,
&end
#
# 31 LEU HB2 33 SER HB2 7.00 (# 1730:25 Preassigned 5.86, 5.93 A)
&rst
ixpk= 1730, nxpk= 25, iat= 455, 489, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 LYS HG+ 35 LYS HB2 3.50 (# 1731:25 Preassigned 2.41, 2.69 A)
&rst
ixpk= 1731, nxpk= 25, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 520, 521,
&end
#
# 0 AMB 25-3:1732 0 AMB 25-1:1732 7.00 (# 1732:25 Double Ambig)
&rst
ixpk= 1732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 813, 455,
igr2= 775, 475,
&end
#
# 53 LYS HB2 53 LYS HD- 5.50 (# 1733:25 Preassigned 3.62, 3.74 A)
&rst
ixpk= 1733, nxpk= 25, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 819, 820,
&end
#
# 53 LYS HB2 53 LYS HD- 5.50 (# 1734:25 Preassigned 3.62, 3.74 A)
&rst
ixpk= 1734, nxpk= 25, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 819, 820,
&end
#
# 35 LYS HG+ 35 LYS HB3 4.50 (# 1735:25 Preassigned 2.29, 2.74 A)
&rst
ixpk= 1735, nxpk= 25, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 520, 521,
&end
#
# 35 LYS HG+ 35 LYS HD+ 2.80 (# 1736:25 Unique 2.39, 2.73 A)
&rst
ixpk= 1736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 520, 521,
igr2= 523, 524,
&end
#
# 35 LYS HG+ 35 LYS HD- 2.80 (# 1737:25 Preassigned 2.39, 2.73 A)
&rst
ixpk= 1737, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 520, 521,
igr2= 523, 524,
&end
#
# 53 LYS HB2 53 LYS HG- 2.80 (# 1738:25 Preassigned 2.37, 2.46 A)
&rst
ixpk= 1738, nxpk= 25, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 816, 817,
&end
#
# 0 AMB 25-3:1739 4 ILE QG2 4.50 (# 1739:25 Single Ambig)
&rst
ixpk= 1739, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 455, 610, 611,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:1740 0 AMB 25-1:1740 2.80 (# 1740:25 Double Ambig)
&rst
ixpk= 1740, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 610, 611, 455, 610, 611,
igr2= 58, 59, 60, 613, 614, 615,
&end
#
# 31 LEU HB2 31 LEU HG 3.50 (# 1741:25 Preassigned 2.24, 2.27 A)
&rst
ixpk= 1741, nxpk= 25, iat= 455, 458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HG- 49 LYS HA 4.50 (# 1742:25 Preassigned 2.40, 2.90 A)
&rst
ixpk= 1742, nxpk= 25, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 741, 742,
&end
#
# 49 LYS HG- 69 SER QB 5.50 (# 1743:25 Preassigned 4.41, 6.08 A)
&rst
ixpk= 1743, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 741, 742,
igr2=1063,1064,
&end
#
# 31 LEU HB2 32 GLU HB3 7.00 (# 1745:25 Preassigned 6.64, 6.70 A)
&rst
ixpk= 1745, nxpk= 25, iat= 455, 475, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 49 LYS HG- 50 GLU HB2 5.50 (# 1746:25 Preassigned 2.64, 3.86 A)
&rst
ixpk= 1746, nxpk= 25, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 741, 742,
&end
#
# 49 LYS HG- 49 LYS HB2 3.50 (# 1747:25 Preassigned 2.31, 2.74 A)
&rst
ixpk= 1747, nxpk= 25, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 741, 742,
&end
#
# 49 LYS HG- 49 LYS HB3 3.50 (# 1748:25 Preassigned 2.39, 2.75 A)
&rst
ixpk= 1748, nxpk= 25, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 741, 742,
&end
#
# 31 LEU HB2 59 VAL QG1 5.50 (# 1749:25 Preassigned 5.57, 6.75 A)
&rst
ixpk= 1749, nxpk= 25, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 913, 914, 915,
&end
#
# 31 LEU HB2 0 AMB 25-1:1750 2.80 (# 1750:25 Single Ambig)
&rst
ixpk= 1750, nxpk= 25, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 0 AMB 25-3:1751 0 AMB 25-1:1751 4.50 (# 1751:25 Double Ambig)
&rst
ixpk= 1751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 838, 839, 269, 270, 271,
igr2= 833, 245,
&end
#
# 0 AMB 25-3:1752 0 AMB 25-1:1752 5.50 (# 1752:25 Double Ambig)
&rst
ixpk= 1752, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 269, 270, 271, 838, 839, 136,
igr2= 277, 278, 870, 871, 870, 871,
&end
#
# 18 ALA QB 50 GLU HA 4.50 (# 1753:25 Preassigned 2.52, 3.64 A)
&rst
ixpk= 1753, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 269, 270, 271,
&end
#
# 0 AMB 25-3:1754 10 LEU HA 4.50 (# 1754:25 Single Ambig)
&rst
ixpk= 1754, nxpk= 25, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 136, 455,
&end
#
# 18 ALA QB 18 ALA HA 2.80 (# 1755:25 Preassigned 2.45, 2.66 A)
&rst
ixpk= 1755, nxpk= 25, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 269, 270, 271,
&end
#
# 0 AMB 25-3:1756 54 GLU HA 4.50 (# 1756:25 Single Ambig)
&rst
ixpk= 1756, nxpk= 25, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 136, 838, 839,
&end
#
# 18 ALA QB 48 VAL HB 5.50 (# 1757:25 Preassigned 5.19, 5.64 A)
&rst
ixpk= 1757, nxpk= 25, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 269, 270, 271,
&end
#
# 0 AMB 25-3:1758 49 GLU HG- 5.50 (# 1758:25 Single Ambig)
&rst
ixpk= 1758, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 269, 270, 271, 741, 742,
igr2= 763, 764,
&end
#
# 49 LYS HG- 50 GLU HB3 5.50 (# 1759:25 Preassigned 3.31, 4.88 A)
&rst
ixpk= 1759, nxpk= 25, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 741, 742,
&end
#
# 11 LEU HG 11 LEU HB3 4.50 (# 1760:25 Preassigned 2.50, 2.60 A)
&rst
ixpk= 1760, nxpk= 25, iat= 136, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LYS HG- 54 LYS QB 2.80 (# 1761:25 Preassigned 2.42, 2.78 A)
&rst
ixpk= 1761, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 838, 839,
igr2= 835, 836,
&end
#
# 0 AMB 25-3:1762 0 AMB 25-1:1762 2.80 (# 1762:25 Double Ambig)
&rst
ixpk= 1762, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 838, 839, 741, 742,
igr2= 841, 842, 744, 745,
&end
#
# 11 LEU HG 11 LEU HB2 3.50 (# 1763:25 Preassigned 2.56, 2.97 A)
&rst
ixpk= 1763, nxpk= 25, iat= 136, 133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1765 0 AMB 25-1:1765 2.80 (# 1765:25 Double Ambig)
&rst
ixpk= 1765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 136, 269, 270, 271,
igr2= 204, 205, 206, 781, 782, 783,
&end
#
# 11 LEU HG 59 VAL QG2 4.50 (# 1766:25 Preassigned 2.44, 5.28 A)
&rst
ixpk= 1766, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 917, 918, 919,
&end
#
# 18 ALA QB 48 VAL QG1 4.50 (# 1767:25 Preassigned 3.79, 5.68 A)
&rst
ixpk= 1767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 269, 270, 271,
igr2= 724, 725, 726,
&end
#
# 0 AMB 25-3:1768 0 AMB 25-1:1768 2.80 (# 1768:25 Double Ambig)
&rst
ixpk= 1768, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 136, 455,
igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
143, 144,
&end
#
# 35 LYS HG- 35 LYS HA 3.50 (# 1770:25 Preassigned 2.46, 3.02 A)
&rst
ixpk= 1770, nxpk= 25, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 520, 521,
&end
#
# 54 LYS HG- 54 LYS QE 3.50 (# 1771:25 Preassigned 2.47, 3.19 A)
&rst
ixpk= 1771, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 838, 839,
igr2= 844, 845,
&end
#
# 35 LYS HG- 35 LYS HB3 4.50 (# 1772:25 Preassigned 2.29, 2.74 A)
&rst
ixpk= 1772, nxpk= 25, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 520, 521,
&end
#
# 40 ILE HG1- 40 ILE HB 4.50 (# 1773:25 Preassigned 2.37, 2.42 A)
&rst
ixpk= 1773, nxpk= 25, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 610, 611,
&end
#
# 52 LYS HG- 52 LYS QD 2.80 (# 1774:25 Preassigned 2.32, 2.70 A)
&rst
ixpk= 1774, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 794, 795,
igr2= 797, 798,
&end
#
# 52 LYS HG- 51 VAL HA 5.50 (# 1775:25 Preassigned 3.19, 4.29 A)
&rst
ixpk= 1775, nxpk= 25, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 794, 795,
&end
#
# 40 ILE HG1- 40 ILE HA 4.50 (# 1776:25 Preassigned 3.13, 3.51 A)
&rst
ixpk= 1776, nxpk= 25, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 610, 611,
&end
#
# 0 AMB 25-3:1777 63 VAL HA 5.50 (# 1777:25 Single Ambig)
&rst
ixpk= 1777, nxpk= 25, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 991, 794, 795,
&end
#
# 52 LYS HG- 52 LYS HE+ 5.50 (# 1780:25 Preassigned 2.26, 3.02 A)
&rst
ixpk= 1780, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 794, 795,
igr2= 800, 801,
&end
#
# 52 LYS HG- 0 AMB 25-1:1784 3.50 (# 1784:25 Single Ambig)
&rst
ixpk= 1784, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 794, 795,
igr2= 792,1029,
&end
#
# 17 LYS HG+ 17 LYS QB 2.80 (# 1785:25 Preassigned 2.27, 2.76 A)
&rst
ixpk= 1785, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 250, 251,
igr2= 247, 248,
&end
#
# 52 LYS HG- 52 LYS HB2 2.80 (# 1786:25 Preassigned 2.40, 2.44 A)
&rst
ixpk= 1786, nxpk= 25, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 794, 795,
&end
#
# 22 ILE HG1+ 22 ILE HB 3.50 (# 1787:25 Preassigned 2.38, 2.73 A)
&rst
ixpk= 1787, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 321, 322,
&end
#
# 40 ILE HG1- 30 ILE HG1- 4.50 (# 1789:25 Preassigned 5.04, 5.87 A)
&rst
ixpk= 1789, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 610, 611,
igr2= 442, 443,
&end
#
# 22 ILE HG1+ 48 VAL QG2 3.50 (# 1791:25 Preassigned 3.27, 4.71 A)
&rst
ixpk= 1791, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 321, 322,
igr2= 728, 729, 730,
&end
#
# 40 ILE HG1- 5 ILE QG2 4.50 (# 1792:25 Preassigned 3.05, 4.99 A)
&rst
ixpk= 1792, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 610, 611,
igr2= 51, 52, 53,
&end
#
# 65 LEU HB2 65 LEU QD+ 3.50 (# 1793:25 Preassigned 2.37, 3.37 A)
&rst
ixpk= 1793, nxpk= 25, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:1794 0 AMB 25-1:1794 4.50 (# 1794:25 Double Ambig)
&rst
ixpk= 1794, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 991, 321, 322,
igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 0 AMB 25-3:1795 65 LEU QD- 5.50 (# 1795:25 Single Ambig)
&rst
ixpk= 1795, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 991, 321, 322,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 52 LYS HG- 64 VAL QG1 3.50 (# 1796:25 Preassigned 2.31, 3.35 A)
&rst
ixpk= 1796, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 794, 795,
igr2= 977, 978, 979,
&end
#
# 22 ILE HG1+ 22 ILE QG2 4.50 (# 1797:25 Preassigned 2.66, 3.62 A)
&rst
ixpk= 1797, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 321, 322,
igr2= 317, 318, 319,
&end
#
# 40 ILE HG1- 0 AMB 25-1:1798 2.80 (# 1798:25 Single Ambig)
&rst
ixpk= 1798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 610, 611,
igr2= 58, 59, 60, 613, 614, 615,
&end
#
# 65 LEU HB2 65 LEU QD- 4.50 (# 1799:25 Preassigned 2.37, 3.37 A)
&rst
ixpk= 1799, nxpk= 25, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 40 ILE HG1- 40 ILE QG2 3.50 (# 1800:25 Preassigned 2.44, 3.55 A)
&rst
ixpk= 1800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 610, 611,
igr2= 606, 607, 608,
&end
#
# 65 LEU HB2 65 LEU HA 3.50 (# 1801:25 Preassigned 2.42, 2.49 A)
&rst
ixpk= 1801, nxpk= 25, iat= 991, 989, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 LYS HG- 64 VAL HB 5.50 (# 1802:25 Preassigned 2.56, 3.78 A)
&rst
ixpk= 1802, nxpk= 25, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 794, 795,
&end
#
# 22 ILE HG1+ 22 ILE QD1 2.80 (# 1804:25 Preassigned 2.33, 2.66 A)
&rst
ixpk= 1804, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 321, 322,
igr2= 324, 325, 326,
&end
#
# 22 ILE HG1+ 68 LEU QD2 4.50 (# 1805:25 Preassigned 2.64, 4.02 A)
&rst
ixpk= 1805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 321, 322,
igr2=1053,1054,1055,
&end
#
# 72 THR QG2 72 THR HA 4.50 (# 1806:25 Preassigned 2.37, 3.05 A)
&rst
ixpk= 1806, nxpk= 25, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1101,1102,1103,
&end
#
# 72 THR QG2 72 THR HB 4.50 (# 1807:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 1807, nxpk= 25, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1101,1102,1103,
&end
#
# 2 THR QG2 2 THR HB 4.50 (# 1808:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 1808, nxpk= 25, iat= -1, 8, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 10, 11, 12,
&end
#
# 52 LYS HG+ 52 LYS HA 3.50 (# 1809:25 Preassigned 3.10, 3.57 A)
&rst
ixpk= 1809, nxpk= 25, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 794, 795,
&end
#
# 24 LYS QG 24 LYS HB3 2.80 (# 1810:25 Preassigned 2.42, 2.76 A)
&rst
ixpk= 1810, nxpk= 25, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 352, 353,
&end
#
# 24 LYS QG 24 LYS QD 2.80 (# 1811:25 Preassigned 2.37, 2.71 A)
&rst
ixpk= 1811, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 352, 353,
igr2= 355, 356,
&end
#
# 24 LYS QG 24 LYS HB2 2.80 (# 1812:25 Preassigned 2.46, 2.79 A)
&rst
ixpk= 1812, nxpk= 25, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 352, 353,
&end
#
# 13 LYS HB2 13 LYS HA 3.50 (# 1814:25 Preassigned 3.05, 3.05 A)
&rst
ixpk= 1814, nxpk= 25, iat= 176, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LYS QG 24 LYS HA 3.50 (# 1815:25 Preassigned 2.41, 2.80 A)
&rst
ixpk= 1815, nxpk= 25, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 352, 353,
&end
#
# 13 LYS HB2 30 ILE HB 4.50 (# 1816:25 Preassigned 2.73, 2.85 A)
&rst
ixpk= 1816, nxpk= 25, iat= 176, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HB2 13 LYS HG- 4.50 (# 1817:25 Preassigned 2.39, 2.66 A)
&rst
ixpk= 1817, nxpk= 25, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 179, 180,
&end
#
# 38 ILE HG1- 38 ILE HA 4.50 (# 1818:25 Preassigned 2.48, 3.11 A)
&rst
ixpk= 1818, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 577, 578,
&end
#
# 53 LYS HG- 65 LEU HA 4.50 (# 1819:25 Preassigned 2.43, 2.73 A)
&rst
ixpk= 1819, nxpk= 25, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 816, 817,
&end
#
# 51 VAL QG1 51 VAL HA 3.50 (# 1820:25 Preassigned 2.45, 3.07 A)
&rst
ixpk= 1820, nxpk= 25, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 777, 778, 779,
&end
#
# 14 VAL QG1 14 VAL HA 3.50 (# 1821:25 Preassigned 2.51, 3.17 A)
&rst
ixpk= 1821, nxpk= 25, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 200, 201, 202,
&end
#
# 0 AMB 25-3:1822 28 ALA HA 5.50 (# 1822:25 Single Ambig)
&rst
ixpk= 1822, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 200, 201, 202, 176,
&end
#
# 38 ILE HG1- 39 PRO HD+ 5.50 (# 1823:25 Preassigned 4.22, 5.05 A)
&rst
ixpk= 1823, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 577, 578,
igr2= 587, 588,
&end
#
# 14 VAL QG1 14 VAL HB 2.80 (# 1824:25 Preassigned 2.44, 2.67 A)
&rst
ixpk= 1824, nxpk= 25, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 200, 201, 202,
&end
#
# 51 VAL QG1 51 VAL HB 2.80 (# 1825:25 Preassigned 2.45, 2.67 A)
&rst
ixpk= 1825, nxpk= 25, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 777, 778, 779,
&end
#
# 53 LYS HG- 53 LYS HD- 4.50 (# 1826:25 Preassigned 2.43, 2.77 A)
&rst
ixpk= 1826, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 816, 817,
igr2= 819, 820,
&end
#
# 38 ILE HG1- 38 ILE HB 4.50 (# 1827:25 Preassigned 2.69, 2.86 A)
&rst
ixpk= 1827, nxpk= 25, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 577, 578,
&end
#
# 53 LYS HG- 53 LYS HB3 3.50 (# 1828:25 Preassigned 2.46, 2.76 A)
&rst
ixpk= 1828, nxpk= 25, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 816, 817,
&end
#
# 53 LYS HG- 53 LYS HD+ 3.50 (# 1829:25 Preassigned 2.43, 2.77 A)
&rst
ixpk= 1829, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 816, 817,
igr2= 819, 820,
&end
#
# 14 VAL QG1 29 ALA QB 3.50 (# 1830:25 Preassigned 2.53, 4.69 A)
&rst
ixpk= 1830, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 200, 201, 202,
igr2= 426, 427, 428,
&end
#
# 38 ILE HG1- 38 ILE QG2 3.50 (# 1831:25 Preassigned 2.25, 3.12 A)
&rst
ixpk= 1831, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 577, 578,
igr2= 573, 574, 575,
&end
#
# 0 AMB 25-3:1832 0 AMB 25-1:1832 2.80 (# 1832:25 Double Ambig)
&rst
ixpk= 1832, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 200, 201, 202, 816, 817, 777, 778, 779,
igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
1001,1002, 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:1833 0 AMB 25-1:1833 4.50 (# 1833:25 Double Ambig)
&rst
ixpk= 1833, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 777, 778, 779, 200, 201, 202,
igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 0 AMB 25-3:1834 15 VAL QG2 3.50 (# 1834:25 Single Ambig)
&rst
ixpk= 1834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 777, 778, 779, 200, 201, 202,
igr2= 237, 238, 239,
&end
#
# 0 AMB 25-3:1835 64 LEU QD- 4.50 (# 1835:25 Single Ambig)
&rst
ixpk= 1835, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 200, 201, 202, 816, 817, 777, 778, 779,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 51 VAL QG1 48 VAL QG1 4.50 (# 1836:25 Preassigned 4.48, 5.72 A)
&rst
ixpk= 1836, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 777, 778, 779,
igr2= 724, 725, 726,
&end
#
# 0 AMB 25-3:1837 0 AMB 25-1:1837 4.50 (# 1837:25 Double Ambig)
&rst
ixpk= 1837, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 816, 817, 200, 201, 202,
igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
143, 144,
&end
#
# 0 AMB 25-3:1838 10 LEU QD- 3.50 (# 1838:25 Single Ambig)
&rst
ixpk= 1838, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 816, 817, 200, 201, 202,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 38 ILE HG1- 38 ILE QD1 2.80 (# 1839:25 Preassigned 2.38, 2.66 A)
&rst
ixpk= 1839, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 577, 578,
igr2= 580, 581, 582,
&end
#
# 30 ILE HG1- 30 ILE HA 4.50 (# 1840:25 Preassigned 2.51, 2.74 A)
&rst
ixpk= 1840, nxpk= 25, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 442, 443,
&end
#
# 5 ILE HG1- 5 ILE HA 4.50 (# 1841:25 Preassigned 2.42, 3.47 A)
&rst
ixpk= 1841, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 55, 56,
&end
#
# 0 AMB 25-3:1842 20 GLN QB 5.50 (# 1842:25 Single Ambig)
&rst
ixpk= 1842, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 709, 710, 321, 322,
igr2= 298, 299,
&end
#
# 0 AMB 25-3:1843 20 GLN QB 5.50 (# 1843:25 Single Ambig)
&rst
ixpk= 1843, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 709, 710, 321, 322,
igr2= 298, 299,
&end
#
# 5 ILE HG1- 5 ILE HB 4.50 (# 1844:25 Preassigned 2.39, 2.53 A)
&rst
ixpk= 1844, nxpk= 25, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 55, 56,
&end
#
# 30 ILE HG1- 30 ILE HB 3.50 (# 1845:25 Preassigned 2.49, 2.78 A)
&rst
ixpk= 1845, nxpk= 25, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 442, 443,
&end
#
# 47 ILE HG1- 47 ILE HB 4.50 (# 1846:25 Preassigned 2.38, 2.44 A)
&rst
ixpk= 1846, nxpk= 25, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 709, 710,
&end
#
# 22 ILE HG1- 22 ILE HB 4.50 (# 1847:25 Preassigned 2.38, 2.73 A)
&rst
ixpk= 1847, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 321, 322,
&end
#
# 5 ILE HG1- 65 LEU HB2 5.50 (# 1848:25 Preassigned 2.48, 3.47 A)
&rst
ixpk= 1848, nxpk= 25, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 56,
&end
#
# 5 ILE HG1- 5 ILE QG2 3.50 (# 1849:25 Preassigned 2.22, 3.39 A)
&rst
ixpk= 1849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 55, 56,
igr2= 51, 52, 53,
&end
#
# 5 ILE HG1- 0 AMB 25-1:1850 2.80 (# 1850:25 Single Ambig)
&rst
ixpk= 1850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 55, 56,
igr2= 58, 59, 60, 613, 614, 615,
&end
#
# 0 AMB 25-3:1851 0 AMB 25-1:1851 3.50 (# 1851:25 Double Ambig)
&rst
ixpk= 1851, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 709, 710, 55, 56,
igr2= 705, 706, 707, 606, 607, 608,
&end
#
# 22 ILE HG1- 68 LEU QD2 4.50 (# 1852:25 Preassigned 2.64, 4.02 A)
&rst
ixpk= 1852, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 321, 322,
igr2=1053,1054,1055,
&end
#
# 5 ILE HG1- 65 LEU QD+ 4.50 (# 1853:25 Preassigned 2.80, 5.56 A)
&rst
ixpk= 1853, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 55, 56,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 5 ILE HG1- 59 VAL QG2 4.50 (# 1854:25 Preassigned 2.49, 4.45 A)
&rst
ixpk= 1854, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 55, 56,
igr2= 917, 918, 919,
&end
#
# 22 ILE HG1- 22 ILE QD1 2.80 (# 1855:25 Preassigned 2.33, 2.66 A)
&rst
ixpk= 1855, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 321, 322,
igr2= 324, 325, 326,
&end
#
# 53 LYS HG- 59 VAL QG1 4.50 (# 1856:25 Preassigned 2.57, 3.89 A)
&rst
ixpk= 1856, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 816, 817,
igr2= 913, 914, 915,
&end
#
# 30 ILE QG2 38 ILE HA 5.50 (# 1858:25 Preassigned 4.33, 5.33 A)
&rst
ixpk= 1858, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 438, 439, 440,
&end
#
# 3 VAL QG1 3 VAL HA 3.50 (# 1860:25 Preassigned 2.44, 3.11 A)
&rst
ixpk= 1860, nxpk= 25, iat= -1, 20, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 24, 25, 26,
&end
#
# 3 VAL QG1 42 ALA HA 4.50 (# 1861:25 Preassigned 2.20, 3.26 A)
&rst
ixpk= 1861, nxpk= 25, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 24, 25, 26,
&end
#
# 30 ILE QD1 29 ALA HA 5.50 (# 1862:25 Preassigned 5.35, 5.93 A)
&rst
ixpk= 1862, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 445, 446, 447,
&end
#
# 0 AMB 25-3:1863 0 AMB 25-1:1863 5.50 (# 1863:25 Double Ambig)
&rst
ixpk= 1863, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 438, 439, 440, 445, 446, 447,
igr2= 587, 588, 587, 588,
&end
#
# 64 VAL QG2 64 VAL HA 3.50 (# 1864:25 Preassigned 2.48, 3.18 A)
&rst
ixpk= 1864, nxpk= 25, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 981, 982, 983,
&end
#
# 0 AMB 25-3:1865 0 AMB 25-1:1865 5.50 (# 1865:25 Double Ambig)
&rst
ixpk= 1865, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 981, 982, 983, 24, 25, 26,
igr2= 39, 38,
&end
#
# 0 AMB 25-3:1866 3 SER HB2 5.50 (# 1866:25 Single Ambig)
&rst
ixpk= 1866, nxpk= 25, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 981, 982, 983, 24, 25, 26,
&end
#
# 16 VAL QG1 15 HID HB3 5.50 (# 1867:25 Preassigned 4.78, 5.99 A)
&rst
ixpk= 1867, nxpk= 25, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 233, 234, 235,
&end
#
# 16 VAL QG1 15 HID HB3 5.50 (# 1868:25 Preassigned 4.78, 5.99 A)
&rst
ixpk= 1868, nxpk= 25, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 233, 234, 235,
&end
#
# 3 VAL QG1 44 ARG QD 5.50 (# 1869:25 Preassigned 4.45, 7.46 A)
&rst
ixpk= 1869, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 24, 25, 26,
igr2= 667, 668,
&end
#
# 16 VAL QG1 15 HID HB2 4.50 (# 1870:25 Preassigned 3.45, 4.66 A)
&rst
ixpk= 1870, nxpk= 25, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 233, 234, 235,
&end
#
# 16 VAL QG1 20 ASP HB2 5.50 (# 1871:25 Preassigned 4.41, 5.55 A)
&rst
ixpk= 1871, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 233, 234, 235,
&end
#
# 16 VAL QG1 20 ASP HB2 5.50 (# 1872:25 Preassigned 4.41, 5.55 A)
&rst
ixpk= 1872, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 233, 234, 235,
&end
#
# 0 AMB 25-3:1873 0 AMB 25-1:1873 5.50 (# 1873:25 Double Ambig)
&rst
ixpk= 1873, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 445, 446, 447, 438, 439, 440,
igr2= 593, 594, 593, 594,
&end
#
# 30 ILE QG2 39 PRO HG- 5.50 (# 1874:25 Unique 4.92, 7.34 A)
&rst
ixpk= 1874, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 438, 439, 440,
igr2= 590, 591,
&end
#
# 64 VAL QG2 64 VAL HB 2.80 (# 1875:25 Preassigned 2.45, 2.67 A)
&rst
ixpk= 1875, nxpk= 25, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 981, 982, 983,
&end
#
# 0 AMB 25-3:1876 65 LEU HB2 5.50 (# 1876:25 Single Ambig)
&rst
ixpk= 1876, nxpk= 25, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 233, 234, 235, 24, 25, 26,
&end
#
# 0 AMB 25-3:1877 29 ILE HB 2.80 (# 1877:25 Single Ambig)
&rst
ixpk= 1877, nxpk= 25, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 438, 439, 440, 445, 446, 447,
&end
#
# 0 AMB 25-3:1878 65 LEU HB3 5.50 (# 1878:25 Single Ambig)
&rst
ixpk= 1878, nxpk= 25, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 233, 234, 235, 24, 25, 26,
&end
#
# 30 ILE QD1 30 ILE HG1+ 2.80 (# 1879:25 Preassigned 2.37, 2.65 A)
&rst
ixpk= 1879, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 445, 446, 447,
igr2= 442, 443,
&end
#
# 30 ILE QD1 13 LYS HB3 4.50 (# 1880:25 Preassigned 4.26, 5.52 A)
&rst
ixpk= 1880, nxpk= 25, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 445, 446, 447,
&end
#
# 30 ILE QD1 13 LYS HD- 5.50 (# 1881:25 Preassigned 3.20, 5.95 A)
&rst
ixpk= 1881, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 445, 446, 447,
igr2= 182, 183,
&end
#
# 3 VAL QG1 44 ARG HG- 5.50 (# 1882:25 Preassigned 4.70, 6.40 A)
&rst
ixpk= 1882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 24, 25, 26,
igr2= 664, 665,
&end
#
# 16 VAL QG1 17 LYS HG+ 5.50 (# 1883:25 Preassigned 5.69, 7.07 A)
&rst
ixpk= 1883, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 233, 234, 235,
igr2= 250, 251,
&end
#
# 30 ILE QD1 13 LYS HB2 4.50 (# 1884:25 Preassigned 2.85, 4.13 A)
&rst
ixpk= 1884, nxpk= 25, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 445, 446, 447,
&end
#
# 30 ILE QG2 38 ILE QD1 4.50 (# 1885:25 Preassigned 5.36, 6.89 A)
&rst
ixpk= 1885, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 438, 439, 440,
igr2= 580, 581, 582,
&end
#
# 16 VAL QG1 51 VAL QG2 4.50 (# 1886:25 Preassigned 4.71, 5.94 A)
&rst
ixpk= 1886, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 233, 234, 235,
igr2= 781, 782, 783,
&end
#
# 0 AMB 25-3:1887 65 LEU QD- 2.80 (# 1887:25 Single Ambig)
&rst
ixpk= 1887, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 233, 234, 235, 24, 25, 26,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 25-3:1888 12 LYS HG- 5.50 (# 1888:25 Single Ambig)
&rst
ixpk= 1888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 445, 446, 447, 438, 439, 440,
igr2= 179, 180,
&end
#
# 16 VAL QG1 22 ILE QG2 2.80 (# 1889:25 Preassigned 2.31, 3.30 A)
&rst
ixpk= 1889, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 233, 234, 235,
igr2= 317, 318, 319,
&end
#
# 3 VAL QG1 68 LEU QD1 4.50 (# 1890:25 Preassigned 4.84, 6.76 A)
&rst
ixpk= 1890, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 24, 25, 26,
igr2=1049,1050,1051,
&end
#
# 16 VAL QG1 68 LEU QD2 5.50 (# 1891:25 Preassigned 5.21, 6.89 A)
&rst
ixpk= 1891, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 233, 234, 235,
igr2=1053,1054,1055,
&end
#
# 30 ILE QG2 30 ILE HA 3.50 (# 1892:25 Preassigned 2.66, 3.28 A)
&rst
ixpk= 1892, nxpk= 25, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 438, 439, 440,
&end
#
# 30 ILE QG2 12 TRP HB2 5.50 (# 1893:25 Preassigned 2.69, 3.78 A)
&rst
ixpk= 1893, nxpk= 25, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 438, 439, 440,
&end
#
# 30 ILE QG2 12 TRP HB3 4.50 (# 1894:25 Preassigned 2.24, 3.12 A)
&rst
ixpk= 1894, nxpk= 25, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 438, 439, 440,
&end
#
# 0 AMB 25-3:1895 0 AMB 25-1:1895 4.50 (# 1895:25 Double Ambig)
&rst
ixpk= 1895, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 438, 439, 440, 445, 446, 447,
igr2= 559, 560, 559, 560,
&end
#
# 0 AMB 25-3:1896 36 GLU HB2 4.50 (# 1896:25 Single Ambig)
&rst
ixpk= 1896, nxpk= 25, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 438, 439, 440, 445, 446, 447,
&end
#
# 30 ILE QG2 37 GLU HB3 4.50 (# 1897:25 Preassigned 2.48, 2.71 A)
&rst
ixpk= 1897, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 438, 439, 440,
&end
#
# 0 AMB 25-3:1898 36 GLU HG- 4.50 (# 1898:25 Single Ambig)
&rst
ixpk= 1898, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 438, 439, 440, 445, 446, 447,
igr2= 559, 560,
&end
#
# 16 VAL QG1 29 ALA QB 5.50 (# 1899:25 Preassigned 5.28, 7.40 A)
&rst
ixpk= 1899, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 233, 234, 235,
igr2= 426, 427, 428,
&end
#
# 28 VAL QG2 28 VAL HB 2.80 (# 1901:25 Preassigned 2.42, 2.66 A)
&rst
ixpk= 1901, nxpk= 25, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 416, 417, 418,
&end
#
# 28 VAL QG2 26 GLN HG+ 5.50 (# 1902:25 Preassigned 3.79, 6.66 A)
&rst
ixpk= 1902, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 416, 417, 418,
igr2= 381, 382,
&end
#
# 28 VAL QG2 26 GLN HB3 5.50 (# 1903:25 Preassigned 3.24, 5.04 A)
&rst
ixpk= 1903, nxpk= 25, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 416, 417, 418,
&end
#
# 28 VAL QG2 42 ALA QB 4.50 (# 1904:25 Preassigned 2.25, 4.31 A)
&rst
ixpk= 1904, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 416, 417, 418,
igr2= 639, 640, 641,
&end
#
# 28 VAL QG2 27 GLU HA 5.50 (# 1906:25 Preassigned 3.43, 4.67 A)
&rst
ixpk= 1906, nxpk= 25, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 416, 417, 418,
&end
#
# 28 VAL QG2 26 GLN HG- 5.50 (# 1907:25 Preassigned 3.79, 6.66 A)
&rst
ixpk= 1907, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 416, 417, 418,
igr2= 381, 382,
&end
#
# 48 VAL QG2 48 VAL HB 2.80 (# 1908:25 Preassigned 2.44, 2.67 A)
&rst
ixpk= 1908, nxpk= 25, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 728, 729, 730,
&end
#
# 28 VAL QG2 22 ILE HB 4.50 (# 1909:25 Preassigned 3.11, 4.63 A)
&rst
ixpk= 1909, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 416, 417, 418,
&end
#
# 48 VAL QG2 22 ILE HG1+ 4.50 (# 1910:25 Preassigned 3.27, 4.71 A)
&rst
ixpk= 1910, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 728, 729, 730,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:1911 21 ILE QD1 2.80 (# 1911:25 Single Ambig)
&rst
ixpk= 1911, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 416, 417, 418, 728, 729, 730,
igr2= 324, 325, 326,
&end
#
# 38 ILE QG2 38 ILE HA 3.50 (# 1912:25 Preassigned 2.41, 3.09 A)
&rst
ixpk= 1912, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 573, 574, 575,
&end
#
# 5 ILE QG2 5 ILE HA 3.50 (# 1913:25 Preassigned 2.47, 3.15 A)
&rst
ixpk= 1913, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 51, 52, 53,
&end
#
# 38 ILE QG2 39 PRO HD+ 4.50 (# 1914:25 Preassigned 2.35, 3.72 A)
&rst
ixpk= 1914, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 573, 574, 575,
igr2= 587, 588,
&end
#
# 38 ILE QG2 39 PRO HD- 4.50 (# 1915:25 Preassigned 2.35, 3.72 A)
&rst
ixpk= 1915, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 573, 574, 575,
igr2= 587, 588,
&end
#
# 48 VAL QG2 48 VAL HA 3.50 (# 1916:25 Preassigned 2.49, 3.15 A)
&rst
ixpk= 1916, nxpk= 25, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 728, 729, 730,
&end
#
# 48 VAL QG2 18 ALA HA 5.50 (# 1917:25 Preassigned 4.89, 5.48 A)
&rst
ixpk= 1917, nxpk= 25, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 5 ILE QG2 61 GLU HA 4.50 (# 1918:25 Preassigned 3.64, 4.97 A)
&rst
ixpk= 1918, nxpk= 25, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 51, 52, 53,
&end
#
# 48 VAL QG2 20 ASP HB3 4.50 (# 1919:25 Preassigned 2.39, 3.18 A)
&rst
ixpk= 1919, nxpk= 25, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 728, 729, 730,
&end
#
# 48 VAL QG2 20 ASP HB2 5.50 (# 1920:25 Preassigned 4.01, 4.87 A)
&rst
ixpk= 1920, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 48 VAL QG2 20 ASP HB2 5.50 (# 1921:25 Preassigned 4.01, 4.87 A)
&rst
ixpk= 1921, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 5 ILE QG2 5 ILE HB 2.80 (# 1922:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 1922, nxpk= 25, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 51, 52, 53,
&end
#
# 38 ILE QG2 38 ILE HB 2.80 (# 1923:25 Preassigned 2.44, 2.67 A)
&rst
ixpk= 1923, nxpk= 25, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 573, 574, 575,
&end
#
# 0 AMB 25-3:1924 30 LEU HB3 5.50 (# 1924:25 Single Ambig)
&rst
ixpk= 1924, nxpk= 25, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 51, 52, 53, 573, 574, 575,
&end
#
# 0 AMB 25-3:1925 0 AMB 25-1:1925 2.80 (# 1925:25 Double Ambig)
&rst
ixpk= 1925, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 51, 52, 53, 573, 574, 575,
igr2= 55, 56, 577, 578,
&end
#
# 5 ILE QG2 31 LEU HB2 5.50 (# 1926:25 Preassigned 2.96, 4.11 A)
&rst
ixpk= 1926, nxpk= 25, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 51, 52, 53,
&end
#
# 38 ILE QG2 38 ILE HG1- 2.80 (# 1927:25 Preassigned 2.25, 3.12 A)
&rst
ixpk= 1927, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 573, 574, 575,
igr2= 577, 578,
&end
#
# 48 VAL QG2 22 ILE HG1- 4.50 (# 1929:25 Preassigned 3.27, 4.71 A)
&rst
ixpk= 1929, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 728, 729, 730,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:1930 15 VAL QG2 3.50 (# 1930:25 Single Ambig)
&rst
ixpk= 1930, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 728, 729, 730, 416, 417, 418,
igr2= 237, 238, 239,
&end
#
# 48 VAL QG2 68 LEU QD1 4.50 (# 1931:25 Preassigned 5.15, 6.83 A)
&rst
ixpk= 1931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 728, 729, 730,
igr2=1049,1050,1051,
&end
#
# 5 ILE QG2 0 AMB 25-1:1932 3.50 (# 1932:25 Single Ambig)
&rst
ixpk= 1932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 51, 52, 53,
igr2= 458, 138, 139, 140, 142, 143, 144,
&end
#
# 48 VAL QG2 68 LEU QD2 3.50 (# 1933:25 Preassigned 2.69, 4.07 A)
&rst
ixpk= 1933, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 728, 729, 730,
igr2=1053,1054,1055,
&end
#
# 0 AMB 25-3:1934 0 AMB 25-1:1934 3.50 (# 1934:25 Double Ambig)
&rst
ixpk= 1934, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 51, 52, 53, 573, 574, 575,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 460, 461, 462, 464, 465, 466,
&end
#
# 3 VAL QG2 3 VAL HA 3.50 (# 1935:25 Preassigned 2.57, 3.26 A)
&rst
ixpk= 1935, nxpk= 25, iat= -1, 20, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 28, 29, 30,
&end
#
# 3 VAL QG2 42 ALA HA 4.50 (# 1936:25 Preassigned 2.80, 4.10 A)
&rst
ixpk= 1936, nxpk= 25, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 28, 29, 30,
&end
#
# 5 ILE QG2 7 MET HB2 5.50 (# 1938:25 Unique 3.38, 5.52 A)
&rst
ixpk= 1938, nxpk= 25, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 51, 52, 53,
&end
#
# 0 AMB 25-3:1939 0 AMB 25-1:1939 5.50 (# 1939:25 Double Ambig)
&rst
ixpk= 1939, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 51, 52, 53, 573, 574, 575,
igr2= 610, 611, 610, 611,
&end
#
# 5 ILE QG2 0 AMB 25-1:1940 2.80 (# 1940:25 Single Ambig)
&rst
ixpk= 1940, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 51, 52, 53,
igr2= 58, 59, 60, 613, 614, 615,
&end
#
# 65 LEU QD+ 65 LEU HA 3.50 (# 1942:25 Preassigned 2.26, 3.88 A)
&rst
ixpk= 1942, nxpk= 25, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 996, 997, 998,1000,1001,1002,
&end
#
# 13 LYS HG+ 13 LYS HE+ 5.50 (# 1943:25 Preassigned 2.43, 2.92 A)
&rst
ixpk= 1943, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 179, 180,
igr2= 185, 186,
&end
#
# 13 LYS HG+ 13 LYS HE- 5.50 (# 1944:25 Preassigned 2.43, 2.92 A)
&rst
ixpk= 1944, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 179, 180,
igr2= 185, 186,
&end
#
# 65 LEU QD+ 65 LEU HB3 2.80 (# 1945:25 Preassigned 2.41, 3.41 A)
&rst
ixpk= 1945, nxpk= 25, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:1946 0 AMB 25-1:1946 3.50 (# 1946:25 Double Ambig)
&rst
ixpk= 1946, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 996, 997, 998,1000,1001,1002, 179, 180,
igr2= 813, 177,
&end
#
# 65 LEU QD+ 65 LEU HB2 3.50 (# 1947:25 Preassigned 2.37, 3.37 A)
&rst
ixpk= 1947, nxpk= 25, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 996, 997, 998,1000,1001,1002,
&end
#
# 13 LYS HG+ 13 LYS HB2 3.50 (# 1948:25 Preassigned 2.39, 2.66 A)
&rst
ixpk= 1948, nxpk= 25, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 179, 180,
&end
#
# 41 VAL QG2 40 ILE HA 4.50 (# 1949:25 Preassigned 3.62, 4.75 A)
&rst
ixpk= 1949, nxpk= 25, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 629, 630, 631,
&end
#
# 38 ILE QD1 39 PRO HD- 5.50 (# 1950:25 Preassigned 5.93, 6.59 A)
&rst
ixpk= 1950, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 580, 581, 582,
igr2= 587, 588,
&end
#
# 38 ILE QD1 36 MET HG- 5.50 (# 1951:25 Preassigned 4.33, 5.97 A)
&rst
ixpk= 1951, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 580, 581, 582,
igr2= 542, 543,
&end
#
# 41 VAL QG2 39 PRO HB+ 4.50 (# 1952:25 Preassigned 4.49, 6.57 A)
&rst
ixpk= 1952, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 629, 630, 631,
igr2= 593, 594,
&end
#
# 41 VAL QG2 39 PRO HG+ 5.50 (# 1954:25 Preassigned 5.20, 6.88 A)
&rst
ixpk= 1954, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 629, 630, 631,
igr2= 590, 591,
&end
#
# 41 VAL QG2 39 PRO HG- 5.50 (# 1955:25 Preassigned 5.20, 6.88 A)
&rst
ixpk= 1955, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 629, 630, 631,
igr2= 590, 591,
&end
#
# 0 AMB 25-3:1956 52 LYS HB3 4.50 (# 1956:25 Single Ambig)
&rst
ixpk= 1956, nxpk= 25, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 204, 205, 206, 996, 997, 998,1000,1001,1002,
&end
#
# 41 VAL QG2 39 PRO HB- 4.50 (# 1957:25 Preassigned 4.49, 6.57 A)
&rst
ixpk= 1957, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 629, 630, 631,
igr2= 593, 594,
&end
#
# 0 AMB 25-3:1958 0 AMB 25-1:1958 2.80 (# 1958:25 Double Ambig)
&rst
ixpk= 1958, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1015,1016,1017,1019,1020,1021, 580, 581, 582, 996,
997, 998,1000,1001,1002,1015,1016,1017,1019,1020,
1021, 996, 997, 998,1000,1001,1002,
igr2= 994, 577, 578,1047, 55, 56,
&end
#
# 38 ILE QD1 38 ILE HG1- 2.80 (# 1959:25 Preassigned 2.38, 2.66 A)
&rst
ixpk= 1959, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 580, 581, 582,
igr2= 577, 578,
&end
#
# 66 LEU QD+ 22 ILE HG1- 5.50 (# 1960:25 Preassigned 4.34, 5.88 A)
&rst
ixpk= 1960, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1015,1016,1017,1019,1020,1021,
igr2= 321, 322,
&end
#
# 38 ILE QD1 38 ILE HA 4.50 (# 1961:25 Preassigned 3.84, 4.44 A)
&rst
ixpk= 1961, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 580, 581, 582,
&end
#
# 51 VAL QG2 17 LYS HA 3.50 (# 1962:25 Preassigned 2.35, 3.18 A)
&rst
ixpk= 1962, nxpk= 25, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 781, 782, 783,
&end
#
# 51 VAL QG2 50 GLU HA 4.50 (# 1963:25 Preassigned 3.45, 4.51 A)
&rst
ixpk= 1963, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 781, 782, 783,
&end
#
# 0 AMB 25-3:1964 50 VAL HA 2.80 (# 1964:25 Single Ambig)
&rst
ixpk= 1964, nxpk= 25, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 781, 782, 783, 996, 997, 998,1000,1001,1002,1015,
1016,1017,1019,1020,1021,
&end
#
# 14 VAL QG2 14 VAL HA 3.50 (# 1965:25 Preassigned 2.45, 3.15 A)
&rst
ixpk= 1965, nxpk= 25, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 204, 205, 206,
&end
#
# 14 VAL QG2 29 ALA HA 4.50 (# 1966:25 Preassigned 3.76, 4.73 A)
&rst
ixpk= 1966, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 204, 205, 206,
&end
#
# 38 ILE QD1 39 PRO HD+ 5.50 (# 1967:25 Preassigned 5.93, 6.59 A)
&rst
ixpk= 1967, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 580, 581, 582,
igr2= 587, 588,
&end
#
# 38 ILE QD1 33 SER HB2 4.50 (# 1968:25 Preassigned 3.94, 4.75 A)
&rst
ixpk= 1968, nxpk= 25, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 580, 581, 582,
&end
#
# 51 VAL QG2 18 ALA HA 4.50 (# 1969:25 Preassigned 3.31, 4.42 A)
&rst
ixpk= 1969, nxpk= 25, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 781, 782, 783,
&end
#
# 14 VAL QG2 55 GLU HA 4.50 (# 1970:25 Preassigned 2.50, 3.94 A)
&rst
ixpk= 1970, nxpk= 25, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 204, 205, 206,
&end
#
# 38 ILE QD1 33 SER HB3 4.50 (# 1971:25 Preassigned 2.79, 3.68 A)
&rst
ixpk= 1971, nxpk= 25, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 580, 581, 582,
&end
#
# 38 ILE QD1 7 MET QG 4.50 (# 1972:25 Preassigned 3.71, 5.70 A)
&rst
ixpk= 1972, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 580, 581, 582,
igr2= 88, 89,
&end
#
# 0 AMB 25-3:1973 47 VAL HB 4.50 (# 1973:25 Single Ambig)
&rst
ixpk= 1973, nxpk= 25, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 781, 782, 783,1015,1016,1017,1019,1020,1021,1015,
1016,1017,1019,1020,1021, 712, 713, 714,
&end
#
# 14 VAL QG2 55 GLU HG+ 4.50 (# 1974:25 Preassigned 2.53, 4.72 A)
&rst
ixpk= 1974, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 204, 205, 206,
igr2= 860, 861,
&end
#
# 47 ILE QD1 21 GLN HG+ 5.50 (# 1975:25 Preassigned 2.38, 3.98 A)
&rst
ixpk= 1975, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 712, 713, 714,
igr2= 301, 302,
&end
#
# 38 ILE QD1 36 MET HB2 4.50 (# 1976:25 Preassigned 2.35, 3.48 A)
&rst
ixpk= 1976, nxpk= 25, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 580, 581, 582,
&end
#
# 14 VAL QG2 14 VAL HB 2.80 (# 1977:25 Preassigned 2.42, 2.66 A)
&rst
ixpk= 1977, nxpk= 25, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 204, 205, 206,
&end
#
# 51 VAL QG2 51 VAL HB 2.80 (# 1978:25 Preassigned 2.45, 2.66 A)
&rst
ixpk= 1978, nxpk= 25, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 781, 782, 783,
&end
#
# 47 ILE QD1 21 GLN QB 4.50 (# 1979:25 Preassigned 2.33, 3.70 A)
&rst
ixpk= 1979, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 712, 713, 714,
igr2= 298, 299,
&end
#
# 38 ILE QD1 36 MET HB3 4.50 (# 1980:25 Preassigned 2.96, 4.06 A)
&rst
ixpk= 1980, nxpk= 25, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 580, 581, 582,
&end
#
# 14 VAL QG2 55 GLU HG- 4.50 (# 1981:25 Preassigned 2.53, 4.72 A)
&rst
ixpk= 1981, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 204, 205, 206,
igr2= 860, 861,
&end
#
# 38 ILE QD1 38 ILE HB 4.50 (# 1982:25 Preassigned 2.51, 3.01 A)
&rst
ixpk= 1982, nxpk= 25, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 580, 581, 582,
&end
#
# 14 VAL QG2 55 GLU QB 5.50 (# 1983:25 Preassigned 4.34, 6.11 A)
&rst
ixpk= 1983, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206,
igr2= 857, 858,
&end
#
# 14 VAL QG2 55 GLU QB 5.50 (# 1984:25 Preassigned 4.34, 6.11 A)
&rst
ixpk= 1984, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206,
igr2= 857, 858,
&end
#
# 0 AMB 25-3:1985 2 VAL HB 2.80 (# 1985:25 Single Ambig)
&rst
ixpk= 1985, nxpk= 25, iat= -1, 22, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 51 VAL QG2 17 LYS QB 5.50 (# 1986:25 Preassigned 4.61, 5.48 A)
&rst
ixpk= 1986, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 781, 782, 783,
igr2= 247, 248,
&end
#
# 38 ILE QD1 31 LEU HB3 5.50 (# 1987:25 Preassigned 3.96, 4.70 A)
&rst
ixpk= 1987, nxpk= 25, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582,
&end
#
# 0 AMB 25-3:1988 10 LEU HB3 4.50 (# 1988:25 Single Ambig)
&rst
ixpk= 1988, nxpk= 25, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 204, 205, 206, 913, 914, 915,
&end
#
# 0 AMB 25-3:1989 65 LEU HB2 3.50 (# 1989:25 Single Ambig)
&rst
ixpk= 1989, nxpk= 25, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021, 781, 782, 783,
&end
#
# 47 ILE QD1 47 ILE HB 4.50 (# 1990:25 Preassigned 3.81, 3.98 A)
&rst
ixpk= 1990, nxpk= 25, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 712, 713, 714,
&end
#
# 0 AMB 25-3:1991 65 LEU HB3 3.50 (# 1991:25 Single Ambig)
&rst
ixpk= 1991, nxpk= 25, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021, 781, 782, 783,
&end
#
# 0 AMB 25-3:1993 65 LEU HG 3.50 (# 1993:25 Single Ambig)
&rst
ixpk= 1993, nxpk= 25, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021, 237, 238, 239,
&end
#
# 14 VAL QG2 29 ALA QB 2.80 (# 1994:25 Preassigned 2.51, 4.07 A)
&rst
ixpk= 1994, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 204, 205, 206,
igr2= 426, 427, 428,
&end
#
# 51 VAL QG2 18 ALA QB 4.50 (# 1995:25 Preassigned 3.06, 5.64 A)
&rst
ixpk= 1995, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 781, 782, 783,
igr2= 269, 270, 271,
&end
#
# 0 AMB 25-3:1996 10 LEU HG 4.50 (# 1996:25 Single Ambig)
&rst
ixpk= 1996, nxpk= 25, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 913, 914, 915, 204, 205, 206,
&end
#
# 47 ILE QD1 47 ILE HG1- 2.80 (# 1997:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 1997, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 712, 713, 714,
igr2= 709, 710,
&end
#
# 0 AMB 25-3:1998 47 VAL QG1 2.80 (# 1998:25 Single Ambig)
&rst
ixpk= 1998, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021, 781, 782, 783,
igr2= 724, 725, 726,
&end
#
# 14 VAL QG2 11 LEU QD+ 2.80 (# 1999:25 Preassigned 2.23, 4.01 A)
&rst
ixpk= 1999, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 204, 205, 206,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:2000 10 LEU QD- 2.80 (# 2000:25 Single Ambig)
&rst
ixpk= 2000, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 204, 205, 206, 996, 997, 998,1000,1001,1002,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:2001 67 LEU QD2 2.80 (# 2001:25 Single Ambig)
&rst
ixpk= 2001, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
igr2=1053,1054,1055,
&end
#
# 41 VAL QG1 27 GLU HA 3.50 (# 2002:25 Preassigned 2.04, 3.07 A)
&rst
ixpk= 2002, nxpk= 25, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 625, 626, 627,
&end
#
# 59 VAL QG1 59 VAL HA 3.50 (# 2003:25 Preassigned 2.34, 2.98 A)
&rst
ixpk= 2003, nxpk= 25, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 913, 914, 915,
&end
#
# 41 VAL QG1 25 GLY HA+ 4.50 (# 2004:25 Preassigned 3.64, 5.12 A)
&rst
ixpk= 2004, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 625, 626, 627,
igr2= 369, 370,
&end
#
# 0 AMB 25-3:2005 41 ALA HA 5.50 (# 2005:25 Single Ambig)
&rst
ixpk= 2005, nxpk= 25, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 41 VAL QG1 26 GLN HA 5.50 (# 2006:25 Preassigned 4.11, 5.33 A)
&rst
ixpk= 2006, nxpk= 25, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 625, 626, 627,
&end
#
# 64 VAL QG1 2 THR HB 5.50 (# 2007:25 Preassigned 2.20, 4.78 A)
&rst
ixpk= 2007, nxpk= 25, iat= -1, 8, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 977, 978, 979,
&end
#
# 0 AMB 25-3:2008 0 AMB 25-1:2008 3.50 (# 2008:25 Double Ambig)
&rst
ixpk= 2008, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 625, 626, 627, 712, 713, 714,
igr2= 369, 370, 277, 278,
&end
#
# 59 VAL QG1 53 LYS QE 4.50 (# 2009:25 Preassigned 1.96, 3.68 A)
&rst
ixpk= 2009, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 913, 914, 915,
igr2= 822, 823,
&end
#
# 59 VAL QG1 57 ASP HB3 5.50 (# 2010:25 Preassigned 3.09, 4.32 A)
&rst
ixpk= 2010, nxpk= 25, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 0 AMB 25-3:2011 56 ASP HB2 5.50 (# 2011:25 Single Ambig)
&rst
ixpk= 2011, nxpk= 25, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 913, 914, 915, 204, 205, 206,
&end
#
# 0 AMB 25-3:2012 56 ASP HB2 5.50 (# 2012:25 Single Ambig)
&rst
ixpk= 2012, nxpk= 25, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 913, 914, 915, 204, 205, 206,
&end
#
# 0 AMB 25-3:2013 27 VAL HB 4.50 (# 2013:25 Single Ambig)
&rst
ixpk= 2013, nxpk= 25, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 237, 238, 239,1015,1016,1017,1019,1020,1021,1015,
1016,1017,1019,1020,1021,
&end
#
# 59 VAL QG1 59 VAL HB 2.80 (# 2014:25 Preassigned 2.41, 2.64 A)
&rst
ixpk= 2014, nxpk= 25, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 913, 914, 915,
&end
#
# 59 VAL QG1 53 LYS HD- 5.50 (# 2015:25 Preassigned 2.52, 3.74 A)
&rst
ixpk= 2015, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 913, 914, 915,
igr2= 819, 820,
&end
#
# 59 VAL QG1 53 LYS HD+ 4.50 (# 2016:25 Preassigned 2.52, 3.74 A)
&rst
ixpk= 2016, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 913, 914, 915,
igr2= 819, 820,
&end
#
# 59 VAL QG1 53 LYS HG+ 4.50 (# 2017:25 Preassigned 2.57, 3.89 A)
&rst
ixpk= 2017, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 913, 914, 915,
igr2= 816, 817,
&end
#
# 59 VAL QG1 11 LEU HB2 4.50 (# 2018:25 Preassigned 2.33, 3.17 A)
&rst
ixpk= 2018, nxpk= 25, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 913, 914, 915,
&end
#
# 64 VAL QG1 2 THR QG2 4.50 (# 2019:25 Preassigned 2.34, 3.97 A)
&rst
ixpk= 2019, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 977, 978, 979,
igr2= 10, 11, 12,
&end
#
# 64 VAL QG1 52 LYS HG+ 3.50 (# 2020:25 Preassigned 2.31, 3.35 A)
&rst
ixpk= 2020, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 977, 978, 979,
igr2= 794, 795,
&end
#
# 59 VAL QG1 53 LYS HG- 4.50 (# 2021:25 Preassigned 2.57, 3.89 A)
&rst
ixpk= 2021, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 913, 914, 915,
igr2= 816, 817,
&end
#
# 0 AMB 25-3:2022 62 ASP HA 5.50 (# 2022:25 Single Ambig)
&rst
ixpk= 2022, nxpk= 25, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 913, 914, 915, 977, 978, 979,
&end
#
# 64 VAL QG1 64 VAL HA 3.50 (# 2023:25 Preassigned 2.40, 3.11 A)
&rst
ixpk= 2023, nxpk= 25, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 977, 978, 979,
&end
#
# 0 AMB 25-3:2024 0 AMB 25-1:2024 4.50 (# 2024:25 Double Ambig)
&rst
ixpk= 2024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 977, 978, 979, 913, 914, 915,
igr2= 800, 801, 964,
&end
#
# 13 LYS HG- 13 LYS HE+ 5.50 (# 2025:25 Preassigned 2.43, 2.92 A)
&rst
ixpk= 2025, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 179, 180,
igr2= 185, 186,
&end
#
# 13 LYS HG- 13 LYS HE- 4.50 (# 2026:25 Preassigned 2.43, 2.92 A)
&rst
ixpk= 2026, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 179, 180,
igr2= 185, 186,
&end
#
# 59 VAL QG1 63 ASP HB2 5.50 (# 2027:25 Preassigned 4.78, 5.74 A)
&rst
ixpk= 2027, nxpk= 25, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 64 VAL QG1 64 VAL HB 2.80 (# 2028:25 Preassigned 2.42, 2.67 A)
&rst
ixpk= 2028, nxpk= 25, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 977, 978, 979,
&end
#
# 13 LYS HG- 13 LYS HB2 4.50 (# 2030:25 Preassigned 2.39, 2.66 A)
&rst
ixpk= 2030, nxpk= 25, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 179, 180,
&end
#
# 5 ILE QD1 65 LEU HA 4.50 (# 2031:25 Preassigned 2.57, 4.45 A)
&rst
ixpk= 2031, nxpk= 25, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 58, 59, 60,
&end
#
# 22 ILE QG2 20 ASP HB2 5.50 (# 2032:25 Preassigned 5.21, 5.95 A)
&rst
ixpk= 2032, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 317, 318, 319,
&end
#
# 22 ILE QG2 26 GLN HB3 5.50 (# 2033:25 Preassigned 4.17, 5.11 A)
&rst
ixpk= 2033, nxpk= 25, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 317, 318, 319,
&end
#
# 5 ILE QD1 5 ILE HB 3.50 (# 2034:25 Preassigned 2.43, 3.78 A)
&rst
ixpk= 2034, nxpk= 25, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 58, 59, 60,
&end
#
# 22 ILE QG2 22 ILE HB 2.80 (# 2035:25 Preassigned 2.40, 2.65 A)
&rst
ixpk= 2035, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 317, 318, 319,
&end
#
# 0 AMB 25-3:2036 0 AMB 25-1:2036 2.80 (# 2036:25 Double Ambig)
&rst
ixpk= 2036, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 58, 59, 60, 613, 614, 615,
igr2= 55, 56, 55, 56,
&end
#
# 22 ILE QG2 22 ILE HG1- 2.80 (# 2037:25 Preassigned 2.66, 3.62 A)
&rst
ixpk= 2037, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 317, 318, 319,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:2038 4 ILE QG2 3.50 (# 2038:25 Single Ambig)
&rst
ixpk= 2038, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 58, 59, 60, 613, 614, 615,
igr2= 51, 52, 53,
&end
#
# 40 ILE QD1 30 ILE HA 5.50 (# 2039:25 Preassigned 4.83, 5.36 A)
&rst
ixpk= 2039, nxpk= 25, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 613, 614, 615,
&end
#
# 65 LEU QD- 14 VAL HA 5.50 (# 2040:25 Preassigned 4.13, 5.75 A)
&rst
ixpk= 2040, nxpk= 25, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:2041 4 ILE HA 4.50 (# 2041:25 Single Ambig)
&rst
ixpk= 2041, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 58, 59, 60, 613, 614, 615,
&end
#
# 40 ILE QD1 31 LEU HB3 4.50 (# 2042:25 Preassigned 2.47, 3.60 A)
&rst
ixpk= 2042, nxpk= 25, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 613, 614, 615,
&end
#
# 0 AMB 25-3:2043 64 LEU HB3 3.50 (# 2043:25 Single Ambig)
&rst
ixpk= 2043, nxpk= 25, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 996, 997, 998,1000,1001,1002, 58, 59, 60,
&end
#
# 22 ILE QG2 66 LEU HG 5.50 (# 2044:25 Preassigned 4.26, 6.60 A)
&rst
ixpk= 2044, nxpk= 25, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 317, 318, 319,
&end
#
# 0 AMB 25-3:2045 64 LEU HG 2.80 (# 2045:25 Single Ambig)
&rst
ixpk= 2045, nxpk= 25, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 58, 59, 60, 996, 997, 998,1000,1001,1002, 606,
607, 608,
&end
#
# 0 AMB 25-3:2046 0 AMB 25-1:2046 2.80 (# 2046:25 Double Ambig)
&rst
ixpk= 2046, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 58, 59, 60, 613, 614, 615,
igr2= 610, 611, 610, 611,
&end
#
# 0 AMB 25-3:2047 30 LEU HB2 4.50 (# 2047:25 Single Ambig)
&rst
ixpk= 2047, nxpk= 25, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 613, 614, 615, 58, 59, 60,
&end
#
# 0 AMB 25-3:2048 39 ILE HG1- 2.80 (# 2048:25 Single Ambig)
&rst
ixpk= 2048, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 58, 59, 60, 613, 614, 615,
igr2= 610, 611,
&end
#
# 0 AMB 25-3:2049 64 LEU HB2 3.50 (# 2049:25 Single Ambig)
&rst
ixpk= 2049, nxpk= 25, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 58, 59, 60, 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:2050 4 ILE HG1- 2.80 (# 2050:25 Single Ambig)
&rst
ixpk= 2050, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 58, 59, 60, 996, 997, 998,1000,1001,1002, 613,
614, 615,
igr2= 55, 56,
&end
#
# 28 VAL QG1 27 GLU HA 5.50 (# 2051:25 Preassigned 4.02, 5.63 A)
&rst
ixpk= 2051, nxpk= 25, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 412, 413, 414,
&end
#
# 47 ILE QG2 19 GLY HA+ 4.50 (# 2053:25 Preassigned 2.59, 4.05 A)
&rst
ixpk= 2053, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 705, 706, 707,
igr2= 277, 278,
&end
#
# 0 AMB 25-3:2054 39 ILE HA 2.80 (# 2054:25 Single Ambig)
&rst
ixpk= 2054, nxpk= 25, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 613, 614, 615, 606, 607, 608,
&end
#
# 0 AMB 25-3:2055 41 ALA HA 4.50 (# 2055:25 Single Ambig)
&rst
ixpk= 2055, nxpk= 25, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 412, 413, 414, 996, 997, 998,1000,1001,1002, 606,
607, 608,
&end
#
# 65 LEU QD- 29 ALA HA 5.50 (# 2056:25 Preassigned 4.44, 5.95 A)
&rst
ixpk= 2056, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 996, 997, 998,1000,1001,1002,
&end
#
# 47 ILE QG2 69 SER QB 4.50 (# 2057:25 Preassigned 2.72, 4.98 A)
&rst
ixpk= 2057, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 705, 706, 707,
igr2=1063,1064,
&end
#
# 47 ILE QG2 19 GLY HA- 4.50 (# 2058:25 Preassigned 2.59, 4.05 A)
&rst
ixpk= 2058, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 705, 706, 707,
igr2= 277, 278,
&end
#
# 0 AMB 25-3:2059 27 VAL HB 2.80 (# 2059:25 Single Ambig)
&rst
ixpk= 2059, nxpk= 25, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 412, 413, 414, 996, 997, 998,1000,1001,1002, 606,
607, 608,
&end
#
# 65 LEU QD- 3 VAL HB 4.50 (# 2060:25 Preassigned 3.23, 5.61 A)
&rst
ixpk= 2060, nxpk= 25, iat= -1, 22, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 996, 997, 998,1000,1001,1002,
&end
#
# 47 ILE QG2 47 ILE HB 2.80 (# 2061:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 2061, nxpk= 25, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 705, 706, 707,
&end
#
# 40 ILE QG2 40 ILE HB 2.80 (# 2062:25 Preassigned 2.39, 2.65 A)
&rst
ixpk= 2062, nxpk= 25, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 606, 607, 608,
&end
#
# 65 LEU QD- 29 ALA QB 2.80 (# 2064:25 Preassigned 2.34, 4.14 A)
&rst
ixpk= 2064, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 996, 997, 998,1000,1001,1002,
igr2= 426, 427, 428,
&end
#
# 28 VAL QG1 3 VAL QG2 4.50 (# 2065:25 Preassigned 4.53, 6.96 A)
&rst
ixpk= 2065, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 412, 413, 414,
igr2= 28, 29, 30,
&end
#
# 59 VAL QG2 8 ALA HA 5.50 (# 2066:25 Preassigned 3.84, 5.28 A)
&rst
ixpk= 2066, nxpk= 25, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 917, 918, 919,
&end
#
# 59 VAL QG2 59 VAL HA 4.50 (# 2067:25 Preassigned 3.73, 3.96 A)
&rst
ixpk= 2067, nxpk= 25, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 917, 918, 919,
&end
#
# 0 AMB 25-3:2068 48 LYS HA 5.50 (# 2068:25 Single Ambig)
&rst
ixpk= 2068, nxpk= 25, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 705, 706, 707, 724, 725, 726,
&end
#
# 59 VAL QG2 53 LYS QE 5.50 (# 2069:25 Preassigned 5.60, 6.55 A)
&rst
ixpk= 2069, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 917, 918, 919,
igr2= 822, 823,
&end
#
# 22 ILE QG2 20 ASP HB2 5.50 (# 2070:25 Preassigned 5.21, 5.95 A)
&rst
ixpk= 2070, nxpk= 25, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 317, 318, 319,
&end
#
# 59 VAL QG2 59 VAL HB 2.80 (# 2071:25 Preassigned 2.42, 2.65 A)
&rst
ixpk= 2071, nxpk= 25, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 917, 918, 919,
&end
#
# 48 VAL QG1 17 LYS HG+ 5.50 (# 2072:25 Preassigned 5.41, 6.64 A)
&rst
ixpk= 2072, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 724, 725, 726,
igr2= 250, 251,
&end
#
# 65 LEU QD- 53 LYS HG- 5.50 (# 2073:25 Preassigned 2.77, 5.63 A)
&rst
ixpk= 2073, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 996, 997, 998,1000,1001,1002,
igr2= 816, 817,
&end
#
# 0 AMB 25-3:2074 0 AMB 25-1:2074 5.50 (# 2074:25 Double Ambig)
&rst
ixpk= 2074, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 724, 725, 726, 138, 139, 140, 142, 143, 144,
igr2= 245, 833,
&end
#
# 48 VAL QG1 50 GLU HA 5.50 (# 2075:25 Preassigned 3.34, 4.42 A)
&rst
ixpk= 2075, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 724, 725, 726,
&end
#
# 0 AMB 25-3:2076 10 LEU HA 3.50 (# 2076:25 Single Ambig)
&rst
ixpk= 2076, nxpk= 25, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 138, 139, 140, 142, 143, 144, 917, 918, 919,
&end
#
# 48 VAL QG1 51 VAL HA 5.50 (# 2077:25 Preassigned 3.96, 4.43 A)
&rst
ixpk= 2077, nxpk= 25, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 724, 725, 726,
&end
#
# 48 VAL QG1 48 VAL HA 3.50 (# 2078:25 Preassigned 2.47, 3.09 A)
&rst
ixpk= 2078, nxpk= 25, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 724, 725, 726,
&end
#
# 48 VAL QG1 18 ALA HA 2.80 (# 2079:25 Preassigned 2.26, 3.46 A)
&rst
ixpk= 2079, nxpk= 25, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 724, 725, 726,
&end
#
# 11 LEU QD+ 55 GLU HA 5.50 (# 2080:25 Preassigned 3.89, 5.82 A)
&rst
ixpk= 2080, nxpk= 25, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU QD+ 57 ASP HB3 5.50 (# 2081:25 Preassigned 2.56, 5.59 A)
&rst
ixpk= 2081, nxpk= 25, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 48 VAL QG1 48 VAL HB 2.80 (# 2082:25 Preassigned 2.45, 2.68 A)
&rst
ixpk= 2082, nxpk= 25, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 724, 725, 726,
&end
#
# 11 LEU QD+ 53 LYS HB3 4.50 (# 2083:25 Preassigned 2.17, 4.09 A)
&rst
ixpk= 2083, nxpk= 25, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU QD+ 11 LEU HB3 4.50 (# 2084:25 Preassigned 2.35, 3.44 A)
&rst
ixpk= 2084, nxpk= 25, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 48 VAL QG1 66 LEU HB2 4.50 (# 2085:25 Preassigned 2.37, 3.35 A)
&rst
ixpk= 2085, nxpk= 25, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 724, 725, 726,
&end
#
# 22 ILE QD1 22 ILE HB 3.50 (# 2086:25 Preassigned 2.52, 3.23 A)
&rst
ixpk= 2086, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 324, 325, 326,
&end
#
# 0 AMB 25-3:2087 65 LEU HB3 4.50 (# 2087:25 Single Ambig)
&rst
ixpk= 2087, nxpk= 25, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 724, 725, 726, 324, 325, 326,
&end
#
# 22 ILE QD1 42 ALA QB 2.80 (# 2088:25 Preassigned 2.23, 3.70 A)
&rst
ixpk= 2088, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 324, 325, 326,
igr2= 639, 640, 641,
&end
#
# 0 AMB 25-3:2089 10 LEU HB2 3.50 (# 2089:25 Single Ambig)
&rst
ixpk= 2089, nxpk= 25, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 138, 139, 140, 142, 143, 144, 917, 918, 919,
&end
#
# 11 LEU QD+ 53 LYS HB2 4.50 (# 2090:25 Preassigned 2.56, 4.26 A)
&rst
ixpk= 2090, nxpk= 25, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 48 VAL QG1 18 ALA QB 4.50 (# 2091:25 Preassigned 3.79, 5.68 A)
&rst
ixpk= 2091, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 724, 725, 726,
igr2= 269, 270, 271,
&end
#
# 22 ILE QD1 22 ILE HG1+ 2.80 (# 2092:25 Preassigned 2.33, 2.66 A)
&rst
ixpk= 2092, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 324, 325, 326,
igr2= 321, 322,
&end
#
# 22 ILE QD1 22 ILE HG1- 2.80 (# 2093:25 Preassigned 2.33, 2.66 A)
&rst
ixpk= 2093, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 324, 325, 326,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:2094 0 AMB 25-1:2094 3.50 (# 2094:25 Double Ambig)
&rst
ixpk= 2094, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 324, 325, 326, 724, 725, 726,
igr2= 233, 234, 235, 24, 25, 26,
&end
#
# 48 VAL QG1 51 VAL QG2 2.80 (# 2095:25 Preassigned 2.26, 3.33 A)
&rst
ixpk= 2095, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 724, 725, 726,
igr2= 781, 782, 783,
&end
#
# 0 AMB 25-3:2096 0 AMB 25-1:2096 2.80 (# 2096:25 Double Ambig)
&rst
ixpk= 2096, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 917, 918, 919, 138, 139, 140, 142, 143, 144, 138,
139, 140, 142, 143, 144,
igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 460, 461, 462, 464, 465, 466,
&end
#
# 0 AMB 25-3:2097 0 AMB 25-1:2097 3.50 (# 2097:25 Double Ambig)
&rst
ixpk= 2097, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
143, 144,
igr2= 55, 56, 994,
&end
#
# 0 AMB 25-3:2098 0 AMB 25-1:2098 4.50 (# 2098:25 Double Ambig)
&rst
ixpk= 2098, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
143, 144,1049,1050,1051,
igr2= 55, 56, 994,1047,
&end
#
# 68 LEU QD1 46 GLY HA+ 4.50 (# 2099:25 Preassigned 2.24, 4.42 A)
&rst
ixpk= 2099, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1049,1050,1051,
igr2= 694, 695,
&end
#
# 68 LEU QD1 46 GLY HA- 5.50 (# 2100:25 Preassigned 2.24, 4.42 A)
&rst
ixpk= 2100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1049,1050,1051,
igr2= 694, 695,
&end
#
# 68 LEU QD1 44 ARG QD 4.50 (# 2101:25 Preassigned 2.28, 3.98 A)
&rst
ixpk= 2101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1049,1050,1051,
igr2= 667, 668,
&end
#
# 68 LEU QD1 44 ARG HB2 5.50 (# 2102:25 Preassigned 4.56, 4.99 A)
&rst
ixpk= 2102, nxpk= 25, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1049,1050,1051,
&end
#
# 68 LEU QD1 68 LEU HB3 4.50 (# 2103:25 Preassigned 2.46, 3.12 A)
&rst
ixpk= 2103, nxpk= 25, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1049,1050,1051,
&end
#
# 68 LEU QD1 44 ARG HG+ 5.50 (# 2104:25 Preassigned 2.31, 3.21 A)
&rst
ixpk= 2104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1049,1050,1051,
igr2= 664, 665,
&end
#
# 68 LEU QD1 68 LEU HB2 4.50 (# 2105:25 Preassigned 2.40, 3.05 A)
&rst
ixpk= 2105, nxpk= 25, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1049,1050,1051,
&end
#
# 31 LEU HG 33 SER HB3 5.50 (# 2107:25 Preassigned 4.95, 5.01 A)
&rst
ixpk= 2107, nxpk= 25, iat= 458, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HG 7 MET QG 3.50 (# 2108:25 Preassigned 2.33, 3.38 A)
&rst
ixpk= 2108, nxpk= 25, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 88, 89,
&end
#
# 31 LEU HG 7 MET HB3 5.50 (# 2109:25 Preassigned 3.80, 5.08 A)
&rst
ixpk= 2109, nxpk= 25, iat= 458, 86, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HG 38 ILE HB 4.50 (# 2110:25 Preassigned 4.47, 4.53 A)
&rst
ixpk= 2110, nxpk= 25, iat= 458, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HG 7 MET HB2 5.50 (# 2111:25 Preassigned 2.37, 4.46 A)
&rst
ixpk= 2111, nxpk= 25, iat= 458, 85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HG 31 LEU HB3 3.50 (# 2112:25 Preassigned 2.46, 2.48 A)
&rst
ixpk= 2112, nxpk= 25, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:2114 0 AMB 25-1:2114 2.80 (# 2114:25 Double Ambig)
&rst
ixpk= 2114, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 138, 139, 140, 142, 143, 144, 458,
igr2= 610, 611, 610, 611,
&end
#
# 31 LEU HG 38 ILE QG2 5.50 (# 2115:25 Preassigned 5.70, 6.44 A)
&rst
ixpk= 2115, nxpk= 25, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 573, 574, 575,
&end
#
# 31 LEU HG 38 ILE QD1 4.50 (# 2116:25 Preassigned 4.67, 5.66 A)
&rst
ixpk= 2116, nxpk= 25, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 580, 581, 582,
&end
#
# 0 AMB 25-3:2117 7 ALA HA 5.50 (# 2117:25 Single Ambig)
&rst
ixpk= 2117, nxpk= 25, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 458,
&end
#
# 11 LEU QD- 54 LYS HA 5.50 (# 2118:25 Preassigned 3.94, 6.49 A)
&rst
ixpk= 2118, nxpk= 25, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU QD- 11 LEU HA 3.50 (# 2119:25 Preassigned 2.12, 3.75 A)
&rst
ixpk= 2119, nxpk= 25, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 68 LEU QD2 46 GLY HA+ 5.50 (# 2120:25 Preassigned 2.60, 4.66 A)
&rst
ixpk= 2120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1053,1054,1055,
igr2= 694, 695,
&end
#
# 0 AMB 25-3:2121 0 AMB 25-1:2121 4.50 (# 2121:25 Double Ambig)
&rst
ixpk= 2121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
igr2= 110, 111, 110, 111,
&end
#
# 0 AMB 25-3:2122 8 GLY HA- 4.50 (# 2122:25 Single Ambig)
&rst
ixpk= 2122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
igr2= 110, 111,
&end
#
# 68 LEU QD2 48 VAL HA 3.50 (# 2123:25 Preassigned 1.98, 2.85 A)
&rst
ixpk= 2123, nxpk= 25, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1053,1054,1055,
&end
#
# 11 LEU QD- 55 GLU HA 5.50 (# 2124:25 Preassigned 3.89, 5.82 A)
&rst
ixpk= 2124, nxpk= 25, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:2126 58 VAL HB 5.50 (# 2126:25 Single Ambig)
&rst
ixpk= 2126, nxpk= 25, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
465, 466, 460, 461, 462, 464, 465, 466,
&end
#
# 11 LEU QD- 53 LYS HB3 4.50 (# 2127:25 Preassigned 2.17, 4.09 A)
&rst
ixpk= 2127, nxpk= 25, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU QD- 11 LEU HB3 4.50 (# 2128:25 Preassigned 2.35, 3.44 A)
&rst
ixpk= 2128, nxpk= 25, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 68 LEU QD2 66 LEU HB2 5.50 (# 2129:25 Preassigned 3.75, 5.13 A)
&rst
ixpk= 2129, nxpk= 25, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1053,1054,1055,
&end
#
# 68 LEU QD2 68 LEU HB3 4.50 (# 2130:25 Preassigned 2.46, 3.13 A)
&rst
ixpk= 2130, nxpk= 25, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1053,1054,1055,
&end
#
# 68 LEU QD2 22 ILE HB 5.50 (# 2131:25 Preassigned 5.14, 6.06 A)
&rst
ixpk= 2131, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1053,1054,1055,
&end
#
# 68 LEU QD2 66 LEU HB3 5.50 (# 2132:25 Preassigned 5.22, 6.39 A)
&rst
ixpk= 2132, nxpk= 25, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1053,1054,1055,
&end
#
# 68 LEU QD2 68 LEU HB2 4.50 (# 2133:25 Preassigned 3.70, 3.94 A)
&rst
ixpk= 2133, nxpk= 25, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1053,1054,1055,
&end
#
# 11 LEU QD- 29 ALA QB 4.50 (# 2134:25 Preassigned 2.21, 4.19 A)
&rst
ixpk= 2134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 138, 139, 140, 142, 143, 144,
igr2= 426, 427, 428,
&end
#
# 11 LEU QD- 11 LEU HB2 4.50 (# 2135:25 Preassigned 2.35, 3.16 A)
&rst
ixpk= 2135, nxpk= 25, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:2136 0 AMB 25-1:2136 3.50 (# 2136:25 Double Ambig)
&rst
ixpk= 2136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 138, 139, 140, 142, 143, 144,1053,1054,1055,
igr2= 55, 56, 994,1047,
&end
#
# 11 LEU QD- 53 LYS HB2 4.50 (# 2137:25 Preassigned 2.56, 4.26 A)
&rst
ixpk= 2137, nxpk= 25, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:2138 30 LEU HB2 3.50 (# 2138:25 Single Ambig)
&rst
ixpk= 2138, nxpk= 25, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 458, 460, 461, 462, 464, 465, 466, 460, 461, 462,
464, 465, 466, 138, 139, 140, 142, 143, 144,
&end
#
# 68 LEU QD2 22 ILE HG1+ 4.50 (# 2140:25 Preassigned 2.64, 4.02 A)
&rst
ixpk= 2140, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1053,1054,1055,
igr2= 321, 322,
&end
#
# 11 LEU QD- 14 VAL QG1 5.50 (# 2141:25 Preassigned 3.83, 6.07 A)
&rst
ixpk= 2141, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 138, 139, 140, 142, 143, 144,
igr2= 200, 201, 202,
&end
#
# 68 LEU QD2 22 ILE HG1- 4.50 (# 2142:25 Preassigned 2.64, 4.02 A)
&rst
ixpk= 2142, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1053,1054,1055,
igr2= 321, 322,
&end
#
# 68 LEU QD2 16 VAL QG1 4.50 (# 2143:25 Preassigned 5.21, 6.89 A)
&rst
ixpk= 2143, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1053,1054,1055,
igr2= 233, 234, 235,
&end
#
# 68 LEU QD2 48 VAL QG2 2.80 (# 2144:25 Preassigned 2.69, 4.07 A)
&rst
ixpk= 2144, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1053,1054,1055,
igr2= 728, 729, 730,
&end
#
# 0 AMB 25-3:2145 4 ILE QG2 3.50 (# 2145:25 Single Ambig)
&rst
ixpk= 2145, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 458, 138, 139, 140, 142, 143, 144,
igr2= 51, 52, 53,
&end
#
# 11 LEU QD- 65 LEU QD+ 3.50 (# 2146:25 Preassigned 2.25, 5.04 A)
&rst
ixpk= 2146, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 138, 139, 140, 142, 143, 144,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 68 LEU QD2 66 LEU QD+ 4.50 (# 2147:25 Preassigned 2.30, 4.39 A)
&rst
ixpk= 2147, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1053,1054,1055,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 68 LEU QD2 66 LEU QD- 3.50 (# 2148:25 Preassigned 2.30, 4.39 A)
&rst
ixpk= 2148, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1053,1054,1055,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 11 LEU QD- 14 VAL QG2 2.80 (# 2149:25 Preassigned 2.23, 4.01 A)
&rst
ixpk= 2149, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 138, 139, 140, 142, 143, 144,
igr2= 204, 205, 206,
&end
#
# 11 LEU QD- 59 VAL QG1 2.80 (# 2150:25 Preassigned 2.35, 4.36 A)
&rst
ixpk= 2150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 138, 139, 140, 142, 143, 144,
igr2= 913, 914, 915,
&end
#
# 0 AMB 25-3:2151 0 AMB 25-1:2151 2.80 (# 2151:25 Double Ambig)
&rst
ixpk= 2151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 138, 139, 140, 142, 143, 144, 458,
igr2= 58, 59, 60, 613, 614, 615,
&end
#
# 0 AMB 25-3:2152 58 VAL QG2 2.80 (# 2152:25 Single Ambig)
&rst
ixpk= 2152, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 138, 139, 140, 142, 143, 144,
igr2= 917, 918, 919,
&end
#
# 68 LEU QD2 46 GLY HA- 4.50 (# 2153:25 Preassigned 2.60, 4.66 A)
&rst
ixpk= 2153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1053,1054,1055,
igr2= 694, 695,
&end
#
# 49 LYS HN 68 LEU HA 4.50 (# 2155:25 Preassigned 1.93, 2.04 A)
&rst
ixpk= 2155, nxpk= 25, iat= 734,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HN 32 GLU HA 4.50 (# 2156:25 Preassigned 2.97, 2.97 A)
&rst
ixpk= 2156, nxpk= 25, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HN 31 LEU HA 3.50 (# 2157:25 Preassigned 2.20, 2.21 A)
&rst
ixpk= 2157, nxpk= 25, iat= 470, 453, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 LEU HN 68 LEU HA 5.50 (# 2158:25 Preassigned 2.98, 2.98 A)
&rst
ixpk= 2158, nxpk= 25, iat=1040,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL HN 41 VAL HA 4.50 (# 2159:25 Preassigned 2.41, 2.64 A)
&rst
ixpk= 2159, nxpk= 25, iat= 406, 621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 SER HN 68 LEU HA 2.80 (# 2160:25 Preassigned 2.20, 2.27 A)
&rst
ixpk= 2160, nxpk= 25, iat=1059,1042, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 ILE HN 22 ILE HA 4.50 (# 2161:25 Preassigned 2.95, 2.97 A)
&rst
ixpk= 2161, nxpk= 25, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HN 10 ASN HA 2.80 (# 2162:25 Preassigned 2.16, 2.22 A)
&rst
ixpk= 2162, nxpk= 25, iat= 129, 117, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 LEU HN 58 PHE HA 4.50 (# 2163:25 Preassigned 3.77, 3.87 A)
&rst
ixpk= 2163, nxpk= 25, iat= 129, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HN 4 SER HA 3.50 (# 2164:25 Preassigned 1.92, 2.12 A)
&rst
ixpk= 2164, nxpk= 25, iat= 987, 36, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 LYS HN 66 LEU HA 4.50 (# 2165:25 Preassigned 2.21, 2.54 A)
&rst
ixpk= 2165, nxpk= 25, iat= 787,1008, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LYS HN 16 VAL HA 2.80 (# 2166:25 Preassigned 2.34, 2.37 A)
&rst
ixpk= 2166, nxpk= 25, iat= 243, 229, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 TRP HN 31 LEU HA 4.50 (# 2167:25 Preassigned 2.28, 2.54 A)
&rst
ixpk= 2167, nxpk= 25, iat= 148, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2168 40 VAL HA 3.50 (# 2168:25 Single Ambig)
&rst
ixpk= 2168, nxpk= 25, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 635, 619,
&end
#
# 5 ILE HN 4 SER HA 2.80 (# 2169:25 Preassigned 2.29, 2.32 A)
&rst
ixpk= 2169, nxpk= 25, iat= 45, 36, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:2170 9 ASN HA 4.50 (# 2170:25 Single Ambig)
&rst
ixpk= 2170, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 115, 907,
&end
#
# 0 AMB 25-3:2171 57 PHE HA 2.80 (# 2171:25 Single Ambig)
&rst
ixpk= 2171, nxpk= 25, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 907, 887,
&end
#
# 33 SER HN 32 GLU HA 2.80 (# 2172:25 Preassigned 2.16, 2.19 A)
&rst
ixpk= 2172, nxpk= 25, iat= 485, 472, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 SER HN 31 LEU HA 7.00 (# 2173:25 Preassigned 5.91, 5.94 A)
&rst
ixpk= 2173, nxpk= 25, iat= 485, 453, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 67 GLU HN 66 LEU HA 2.80 (# 2174:25 Preassigned 2.31, 2.42 A)
&rst
ixpk= 2174, nxpk= 25, iat=1025,1008, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 VAL HN 2 THR HA 4.50 (# 2175:25 Preassigned 2.20, 2.57 A)
&rst
ixpk= 2175, nxpk= 25, iat= 18, 6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HN 15 HID HA 4.50 (# 2176:25 Preassigned 2.98, 2.99 A)
&rst
ixpk= 2176, nxpk= 25, iat= 210, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 GLU HN 22 ILE HA 2.80 (# 2177:25 Preassigned 2.35, 2.41 A)
&rst
ixpk= 2177, nxpk= 25, iat= 330, 313, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 MET HN 32 GLU HA 5.50 (# 2178:25 Preassigned 4.27, 4.44 A)
&rst
ixpk= 2178, nxpk= 25, iat= 535, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HN 66 LEU HA 4.50 (# 2179:25 Preassigned 2.90, 2.92 A)
&rst
ixpk= 2179, nxpk= 25, iat=1006,1008, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HN 4 SER HA 5.50 (# 2180:25 Preassigned 3.90, 3.95 A)
&rst
ixpk= 2180, nxpk= 25, iat=1006, 36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HN 68 LEU HA 5.50 (# 2181:25 Preassigned 3.94, 4.04 A)
&rst
ixpk= 2181, nxpk= 25, iat= 756,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 PHE HE 58 PHE HA 5.50 (# 2182:25 Preassigned 5.00, 5.47 A)
&rst
ixpk= 2182, nxpk= 25, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 897, 901,
&end
#
# 58 PHE HD 10 ASN HA 5.50 (# 2183:25 Preassigned 4.55, 5.59 A)
&rst
ixpk= 2183, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 895, 903,
&end
#
# 58 PHE HD 58 PHE HA 4.50 (# 2184:25 Preassigned 2.88, 3.62 A)
&rst
ixpk= 2184, nxpk= 25, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 895, 903,
&end
#
# 16 VAL HN 16 VAL HA 4.50 (# 2185:25 Preassigned 2.90, 2.93 A)
&rst
ixpk= 2185, nxpk= 25, iat= 227, 229, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HA 58 PHE HA 3.50 (# 2186:25 Preassigned 2.51, 2.52 A)
&rst
ixpk= 2186, nxpk= 25, iat= 117, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 PHE HA 10 ASN HA 3.50 (# 2187:25 Preassigned 2.51, 2.52 A)
&rst
ixpk= 2187, nxpk= 25, iat= 889, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 GLU HA 32 GLU HA 3.50 (# 2188:25 Preassigned 2.27, 2.29 A)
&rst
ixpk= 2188, nxpk= 25, iat= 554, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 GLU HA 41 VAL HA 3.50 (# 2189:25 Preassigned 2.09, 2.30 A)
&rst
ixpk= 2189, nxpk= 25, iat= 393, 621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 VAL HA 66 LEU HA 4.50 (# 2190:25 Preassigned 2.17, 2.34 A)
&rst
ixpk= 2190, nxpk= 25, iat= 773,1008, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 THR HB 2 THR HA 5.50 (# 2191:25 Preassigned 2.50, 2.85 A)
&rst
ixpk= 2191, nxpk= 25, iat= 8, 6, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HA 4 SER HA 5.50 (# 2192:25 Preassigned 4.38, 4.40 A)
&rst
ixpk= 2192, nxpk= 25, iat= 47, 36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL HA 4 SER HA 2.80 (# 2193:25 Preassigned 2.26, 2.32 A)
&rst
ixpk= 2193, nxpk= 25, iat= 973, 36, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 SER QB 68 LEU HA 5.50 (# 2194:25 Preassigned 4.49, 5.22 A)
&rst
ixpk= 2194, nxpk= 25, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 48 VAL HA 68 LEU HA 4.50 (# 2195:25 Preassigned 2.52, 2.71 A)
&rst
ixpk= 2195, nxpk= 25, iat= 720,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2196 3 SER HA 3.50 (# 2196:25 Single Ambig)
&rst
ixpk= 2196, nxpk= 25, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 39, 38,
&end
#
# 15 HID HB3 15 HID HA 4.50 (# 2197:25 Preassigned 2.34, 2.35 A)
&rst
ixpk= 2197, nxpk= 25, iat= 215, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 PHE HB2 58 PHE HA 3.50 (# 2198:25 Preassigned 2.41, 2.45 A)
&rst
ixpk= 2198, nxpk= 25, iat= 891, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 PHE HB3 58 PHE HA 4.50 (# 2199:25 Preassigned 3.04, 3.04 A)
&rst
ixpk= 2199, nxpk= 25, iat= 892, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HB2 15 HID HA 4.50 (# 2200:25 Preassigned 3.01, 3.01 A)
&rst
ixpk= 2200, nxpk= 25, iat= 214, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HB2 10 ASN HA 4.50 (# 2201:25 Preassigned 3.02, 3.03 A)
&rst
ixpk= 2201, nxpk= 25, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HB3 58 PHE HA 5.50 (# 2202:25 Preassigned 4.32, 4.38 A)
&rst
ixpk= 2202, nxpk= 25, iat= 120, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HB3 10 ASN HA 3.50 (# 2203:25 Preassigned 2.61, 2.64 A)
&rst
ixpk= 2203, nxpk= 25, iat= 120, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 VAL HB 16 VAL HA 3.50 (# 2204:25 Preassigned 2.47, 2.49 A)
&rst
ixpk= 2204, nxpk= 25, iat= 231, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:2205 21 ILE HA 4.50 (# 2205:25 Single Ambig)
&rst
ixpk= 2205, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 378, 337, 338,
&end
#
# 32 GLU HB3 32 GLU HA 4.50 (# 2206:25 Preassigned 3.05, 3.05 A)
&rst
ixpk= 2206, nxpk= 25, iat= 475, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2207 21 ILE HA 5.50 (# 2207:25 Single Ambig)
&rst
ixpk= 2207, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 379, 298, 299,
&end
#
# 32 GLU HG- 32 GLU HA 4.50 (# 2208:25 Preassigned 2.47, 2.87 A)
&rst
ixpk= 2208, nxpk= 25, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 477, 478,
&end
#
# 0 AMB 25-3:2209 3 SER HA 5.50 (# 2209:25 Single Ambig)
&rst
ixpk= 2209, nxpk= 25, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 49, 975,
&end
#
# 41 VAL HB 41 VAL HA 4.50 (# 2210:25 Preassigned 2.39, 2.45 A)
&rst
ixpk= 2210, nxpk= 25, iat= 623, 621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2211 65 LEU HA 3.50 (# 2211:25 Single Ambig)
&rst
ixpk= 2211, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1010, 791,
&end
#
# 31 LEU HB3 31 LEU HA 5.50 (# 2212:25 Unique 3.05, 3.05 A)
&rst
ixpk= 2212, nxpk= 25, iat= 456, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU HB3 68 LEU HA 3.50 (# 2213:25 Preassigned 2.44, 2.50 A)
&rst
ixpk= 2213, nxpk= 25, iat=1045,1042, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ILE HB 22 ILE HA 3.50 (# 2214:25 Preassigned 2.36, 2.38 A)
&rst
ixpk= 2214, nxpk= 25, iat= 315, 313, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 GLU HG+ 32 GLU HA 4.50 (# 2215:25 Preassigned 2.47, 2.87 A)
&rst
ixpk= 2215, nxpk= 25, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 477, 478,
&end
#
# 66 LEU HB3 66 LEU HA 3.50 (# 2216:25 Preassigned 2.38, 2.42 A)
&rst
ixpk= 2216, nxpk= 25, iat=1011,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 ALA QB 41 VAL HA 5.50 (# 2217:25 Preassigned 4.38, 5.01 A)
&rst
ixpk= 2217, nxpk= 25, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 639, 640, 641,
&end
#
# 0 AMB 25-3:2218 65 LEU HA 4.50 (# 2218:25 Single Ambig)
&rst
ixpk= 2218, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1013, 797, 798,
&end
#
# 17 LYS HG- 16 VAL HA 5.50 (# 2219:25 Preassigned 3.67, 4.51 A)
&rst
ixpk= 2219, nxpk= 25, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 250, 251,
&end
#
# 68 LEU HB2 68 LEU HA 3.50 (# 2220:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 2220, nxpk= 25, iat=1044,1042, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 GLU HB2 32 GLU HA 3.50 (# 2221:25 Preassigned 2.41, 2.46 A)
&rst
ixpk= 2221, nxpk= 25, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 LEU HB2 10 ASN HA 5.50 (# 2222:25 Preassigned 4.07, 4.13 A)
&rst
ixpk= 2222, nxpk= 25, iat= 133, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2223 3 SER HA 5.50 (# 2223:25 Single Ambig)
&rst
ixpk= 2223, nxpk= 25, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 55, 56, 994,
&end
#
# 31 LEU HB2 31 LEU HA 4.50 (# 2224:25 Preassigned 2.36, 2.39 A)
&rst
ixpk= 2224, nxpk= 25, iat= 455, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 LYS HG- 66 LEU HA 5.50 (# 2225:25 Preassigned 2.07, 3.06 A)
&rst
ixpk= 2225, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 794, 795,
&end
#
# 65 LEU HB2 4 SER HA 5.50 (# 2226:25 Preassigned 2.66, 3.02 A)
&rst
ixpk= 2226, nxpk= 25, iat= 991, 36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ILE HG1+ 22 ILE HA 5.50 (# 2227:25 Preassigned 3.72, 3.77 A)
&rst
ixpk= 2227, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 321, 322,
&end
#
# 2 THR QG2 2 THR HA 5.50 (# 2228:25 Preassigned 2.36, 3.07 A)
&rst
ixpk= 2228, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 10, 11, 12,
&end
#
# 52 LYS HG+ 66 LEU HA 5.50 (# 2229:25 Preassigned 2.07, 3.06 A)
&rst
ixpk= 2229, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 794, 795,
&end
#
# 0 AMB 25-3:2230 15 VAL HA 5.50 (# 2230:25 Single Ambig)
&rst
ixpk= 2230, nxpk= 25, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 200, 201, 202, 777, 778, 779,
&end
#
# 0 AMB 25-3:2231 3 SER HA 4.50 (# 2231:25 Single Ambig)
&rst
ixpk= 2231, nxpk= 25, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 24, 25, 26, 981, 982, 983,
&end
#
# 16 VAL QG1 16 VAL HA 3.50 (# 2232:25 Preassigned 2.38, 3.04 A)
&rst
ixpk= 2232, nxpk= 25, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 233, 234, 235,
&end
#
# 48 VAL QG2 22 ILE HA 5.50 (# 2233:25 Preassigned 5.18, 5.82 A)
&rst
ixpk= 2233, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 48 VAL QG2 16 VAL HA 5.50 (# 2234:25 Preassigned 3.85, 5.03 A)
&rst
ixpk= 2234, nxpk= 25, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 0 AMB 25-3:2235 3 SER HA 5.50 (# 2235:25 Single Ambig)
&rst
ixpk= 2235, nxpk= 25, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 51, 52, 53, 28, 29, 30,
&end
#
# 0 AMB 25-3:2236 65 LEU HA 3.50 (# 2236:25 Single Ambig)
&rst
ixpk= 2236, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021, 781, 782, 783,
&end
#
# 59 VAL QG1 58 PHE HA 5.50 (# 2238:25 Preassigned 4.15, 5.23 A)
&rst
ixpk= 2238, nxpk= 25, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 0 AMB 25-3:2239 15 VAL HA 4.50 (# 2239:25 Single Ambig)
&rst
ixpk= 2239, nxpk= 25, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 237, 238, 239, 781, 782, 783,1015,1016,1017,1019,
1020,1021,
&end
#
# 22 ILE QG2 22 ILE HA 2.80 (# 2240:25 Preassigned 2.45, 3.16 A)
&rst
ixpk= 2240, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 317, 318, 319,
&end
#
# 0 AMB 25-3:2241 40 VAL HA 4.50 (# 2241:25 Single Ambig)
&rst
ixpk= 2241, nxpk= 25, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 412, 413, 414, 606, 607, 608,
&end
#
# 59 VAL QG2 10 ASN HA 5.50 (# 2242:25 Preassigned 2.40, 3.40 A)
&rst
ixpk= 2242, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 917, 918, 919,
&end
#
# 59 VAL QG2 58 PHE HA 4.50 (# 2243:25 Preassigned 3.53, 4.53 A)
&rst
ixpk= 2243, nxpk= 25, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 917, 918, 919,
&end
#
# 22 ILE QD1 22 ILE HA 4.50 (# 2244:25 Preassigned 4.75, 5.13 A)
&rst
ixpk= 2244, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 324, 325, 326,
&end
#
# 0 AMB 25-3:2245 67 LEU HA 5.50 (# 2245:25 Single Ambig)
&rst
ixpk= 2245, nxpk= 25, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 724, 725, 726, 324, 325, 326,
&end
#
# 0 AMB 25-3:2246 9 ASN HA 5.50 (# 2246:25 Single Ambig)
&rst
ixpk= 2246, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 138, 139, 140, 142, 143, 144,
&end
#
# 68 LEU QD2 68 LEU HA 3.50 (# 2247:25 Preassigned 2.19, 3.02 A)
&rst
ixpk= 2247, nxpk= 25, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1053,1054,1055,
&end
#
# 0 AMB 25-3:2248 30 LEU HA 4.50 (# 2248:25 Single Ambig)
&rst
ixpk= 2248, nxpk= 25, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 138, 139, 140, 142, 143, 144,
&end
#
# 31 LEU HN 31 LEU HA 5.50 (# 2249:25 Preassigned 2.98, 2.99 A)
&rst
ixpk= 2249, nxpk= 25, iat= 451, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2250 38 PRO HA 5.50 (# 2250:25 Single Ambig)
&rst
ixpk= 2250, nxpk= 25, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 438, 439, 440, 445, 446, 447,
&end
#
# 30 ILE HG1- 39 PRO HA 5.50 (# 2251:25 Preassigned 2.26, 2.93 A)
&rst
ixpk= 2251, nxpk= 25, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 443,
&end
#
# 39 PRO HB- 39 PRO HA 4.50 (# 2252:25 Preassigned 2.30, 2.54 A)
&rst
ixpk= 2252, nxpk= 25, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 593, 594,
&end
#
# 39 PRO HG- 39 PRO HA 5.50 (# 2253:25 Preassigned 2.97, 3.92 A)
&rst
ixpk= 2253, nxpk= 25, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 590, 591,
&end
#
# 39 PRO HG+ 39 PRO HA 5.50 (# 2254:25 Preassigned 2.97, 3.92 A)
&rst
ixpk= 2254, nxpk= 25, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 590, 591,
&end
#
# 39 PRO HB+ 39 PRO HA 4.50 (# 2255:25 Preassigned 2.30, 2.54 A)
&rst
ixpk= 2255, nxpk= 25, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 593, 594,
&end
#
# 39 PRO HD+ 39 PRO HA 5.50 (# 2256:25 Preassigned 3.49, 3.80 A)
&rst
ixpk= 2256, nxpk= 25, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 587, 588,
&end
#
# 30 ILE HA 39 PRO HA 4.50 (# 2257:25 Preassigned 2.32, 2.45 A)
&rst
ixpk= 2257, nxpk= 25, iat= 434, 596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HN 39 PRO HA 5.50 (# 2258:25 Preassigned 3.63, 3.73 A)
&rst
ixpk= 2258, nxpk= 25, iat= 451, 596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HN 39 PRO HA 3.50 (# 2259:25 Preassigned 2.23, 2.25 A)
&rst
ixpk= 2259, nxpk= 25, iat= 600, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 SER HB3 33 SER HA 4.50 (# 2260:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 2260, nxpk= 25, iat= 490, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 SER HB2 33 SER HA 4.50 (# 2261:25 Preassigned 2.57, 2.59 A)
&rst
ixpk= 2261, nxpk= 25, iat= 489, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2262 32 SER HA 5.50 (# 2262:25 Single Ambig)
&rst
ixpk= 2262, nxpk= 25, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 110, 111, 498,
&end
#
# 9 GLY HA- 33 SER HA 5.50 (# 2263:25 Preassigned 3.76, 3.94 A)
&rst
ixpk= 2263, nxpk= 25, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 110, 111,
&end
#
# 33 SER HN 33 SER HA 5.50 (# 2266:25 Preassigned 2.81, 2.83 A)
&rst
ixpk= 2266, nxpk= 25, iat= 485, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 MET HN 33 SER HA 4.50 (# 2267:25 Preassigned 2.49, 2.52 A)
&rst
ixpk= 2267, nxpk= 25, iat= 496, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 LYS HG- 67 GLU HA 5.50 (# 2268:25 Preassigned 4.73, 5.32 A)
&rst
ixpk= 2268, nxpk= 25, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 794, 795,
&end
#
# 67 GLU HB3 67 GLU HA 5.50 (# 2269:25 Preassigned 2.40, 2.96 A)
&rst
ixpk= 2269, nxpk= 25, iat=1030,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLU HN 67 GLU HA 5.50 (# 2271:25 Preassigned 2.94, 2.97 A)
&rst
ixpk= 2271, nxpk= 25, iat=1025,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU HN 67 GLU HA 3.50 (# 2272:25 Preassigned 2.20, 2.29 A)
&rst
ixpk= 2272, nxpk= 25, iat=1040,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 ASP HB2 43 ASP HA 4.50 (# 2273:25 Preassigned 2.42, 2.45 A)
&rst
ixpk= 2273, nxpk= 25, iat= 649, 647, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ASP HB3 43 ASP HA 4.50 (# 2274:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 2274, nxpk= 25, iat= 650, 647, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LYS HN 53 LYS HA 5.50 (# 2275:25 Preassigned 2.91, 2.95 A)
&rst
ixpk= 2275, nxpk= 25, iat= 809, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LYS HN 53 LYS HA 3.50 (# 2276:25 Preassigned 2.46, 2.59 A)
&rst
ixpk= 2276, nxpk= 25, iat= 831, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 VAL HA 53 LYS HA 7.00 (# 2277:25 Preassigned 6.74, 6.86 A)
&rst
ixpk= 2277, nxpk= 25, iat= 773, 811, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 53 LYS HD- 53 LYS HA 4.50 (# 2278:25 Preassigned 2.10, 2.69 A)
&rst
ixpk= 2278, nxpk= 25, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 819, 820,
&end
#
# 53 LYS HB3 53 LYS HA 4.50 (# 2279:25 Preassigned 2.48, 2.54 A)
&rst
ixpk= 2279, nxpk= 25, iat= 814, 811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LYS QD 53 LYS HA 5.50 (# 2280:25 Preassigned 5.23, 6.05 A)
&rst
ixpk= 2280, nxpk= 25, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 841, 842,
&end
#
# 0 AMB 25-3:2281 52 LYS HA 5.50 (# 2281:25 Single Ambig)
&rst
ixpk= 2281, nxpk= 25, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 816, 817, 838, 839,
&end
#
# 53 LYS HB2 53 LYS HA 5.50 (# 2282:25 Preassigned 3.05, 3.06 A)
&rst
ixpk= 2282, nxpk= 25, iat= 813, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2283 52 LYS HA 5.50 (# 2283:25 Single Ambig)
&rst
ixpk= 2283, nxpk= 25, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 777, 778, 779, 200, 201, 202, 794, 795,
&end
#
# 0 AMB 25-3:2284 59 ASN HA 2.80 (# 2284:25 Single Ambig)
&rst
ixpk= 2284, nxpk= 25, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 937, 923,
&end
#
# 0 AMB 25-3:2286 59 ASN HA 5.50 (# 2286:25 Single Ambig)
&rst
ixpk= 2286, nxpk= 25, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 110, 111, 47,
&end
#
# 60 ASN HB+ 60 ASN HA 4.50 (# 2287:25 Preassigned 2.77, 2.87 A)
&rst
ixpk= 2287, nxpk= 25, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 927, 928,
&end
#
# 60 ASN HB- 60 ASN HA 4.50 (# 2288:25 Preassigned 2.77, 2.87 A)
&rst
ixpk= 2288, nxpk= 25, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 927, 928,
&end
#
# 8 ALA QB 60 ASN HA 4.50 (# 2289:25 Preassigned 2.85, 3.90 A)
&rst
ixpk= 2289, nxpk= 25, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 102, 103, 104,
&end
#
# 60 ASN HA 8 ALA HA 4.50 (# 2291:25 Preassigned 1.89, 1.91 A)
&rst
ixpk= 2291, nxpk= 25, iat= 925, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2292 20 GLN HA 3.50 (# 2292:25 Single Ambig)
&rst
ixpk= 2292, nxpk= 25, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 311, 718,
&end
#
# 45 SER HB2 45 SER HA 5.50 (# 2293:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 2293, nxpk= 25, iat= 685, 683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 SER HB3 45 SER HA 4.50 (# 2294:25 Preassigned 2.38, 2.42 A)
&rst
ixpk= 2294, nxpk= 25, iat= 686, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 SER HN 48 VAL HA 5.50 (# 2295:25 Preassigned 3.79, 4.08 A)
&rst
ixpk= 2295, nxpk= 25, iat=1059, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2296 4 ILE HB 5.50 (# 2296:25 Single Ambig)
&rst
ixpk= 2296, nxpk= 25, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 963, 71, 72, 68, 69,
&end
#
# 67 GLU HB2 49 LYS HB2 7.00 (# 2297:25 Preassigned 4.53, 6.17 A)
&rst
ixpk= 2297, nxpk= 25, iat=1029, 738, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 47 ILE QD1 21 GLN HG- 5.50 (# 2298:25 Preassigned 2.38, 3.98 A)
&rst
ixpk= 2298, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 712, 713, 714,
igr2= 301, 302,
&end
#
# 0 AMB 25-3:2300 46 ILE QD1 4.50 (# 2300:25 Single Ambig)
&rst
ixpk= 2300, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 311, 718,
igr2= 712, 713, 714,
&end
#
# 47 ILE HN 47 ILE QD1 5.50 (# 2301:25 Preassigned 3.74, 4.61 A)
&rst
ixpk= 2301, nxpk= 25, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 712, 713, 714,
&end
#
# 0 AMB 25-3:2302 46 ILE QD1 4.50 (# 2302:25 Single Ambig)
&rst
ixpk= 2302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 701, 296,
igr2= 712, 713, 714,
&end
#
# 69 SER QB 47 ILE QD1 5.50 (# 2303:25 Preassigned 5.66, 6.82 A)
&rst
ixpk= 2303, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1063,1064,
igr2= 712, 713, 714,
&end
#
# 20 ASP HA 47 ILE QD1 5.50 (# 2304:25 Preassigned 4.85, 5.83 A)
&rst
ixpk= 2304, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 712, 713, 714,
&end
#
# 21 GLN HG- 47 ILE QD1 5.50 (# 2305:25 Preassigned 2.38, 3.98 A)
&rst
ixpk= 2305, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 301, 302,
igr2= 712, 713, 714,
&end
#
# 21 GLN HG+ 47 ILE QD1 5.50 (# 2306:25 Preassigned 2.38, 3.98 A)
&rst
ixpk= 2306, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 301, 302,
igr2= 712, 713, 714,
&end
#
# 21 GLN QB 47 ILE QD1 4.50 (# 2307:25 Preassigned 2.33, 3.70 A)
&rst
ixpk= 2307, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 298, 299,
igr2= 712, 713, 714,
&end
#
# 47 ILE HB 47 ILE QD1 4.50 (# 2308:25 Preassigned 3.81, 3.98 A)
&rst
ixpk= 2308, nxpk= 25, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 712, 713, 714,
&end
#
# 47 ILE HG1+ 47 ILE QD1 3.50 (# 2309:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 2309, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 709, 710,
igr2= 712, 713, 714,
&end
#
# 47 ILE HG1- 47 ILE QD1 2.80 (# 2310:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 2310, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 709, 710,
igr2= 712, 713, 714,
&end
#
# 47 ILE QG2 47 ILE QD1 2.80 (# 2311:25 Preassigned 2.28, 3.74 A)
&rst
ixpk= 2311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 705, 706, 707,
igr2= 712, 713, 714,
&end
#
# 50 GLU HN 48 VAL HA 5.50 (# 2312:25 Preassigned 3.55, 3.68 A)
&rst
ixpk= 2312, nxpk= 25, iat= 756, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLY HN 9 GLY HA+ 5.50 (# 2313:25 Preassigned 2.78, 2.84 A)
&rst
ixpk= 2313, nxpk= 25, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 3 VAL HB 66 LEU HB2 5.50 (# 2314:25 Preassigned 4.74, 4.98 A)
&rst
ixpk= 2314, nxpk= 25, iat= 22,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 VAL HB 66 LEU HB3 5.50 (# 2315:25 Preassigned 4.62, 4.75 A)
&rst
ixpk= 2315, nxpk= 25, iat= 22,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HA 53 LYS QE 5.50 (# 2316:25 Preassigned 4.31, 4.68 A)
&rst
ixpk= 2316, nxpk= 25, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 822, 823,
&end
#
# 52 LYS HG+ 52 LYS HE+ 5.50 (# 2317:25 Preassigned 2.26, 3.02 A)
&rst
ixpk= 2317, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 794, 795,
igr2= 800, 801,
&end
#
# 63 ASP HN 63 ASP HB2 5.50 (# 2318:25 Preassigned 2.43, 2.47 A)
&rst
ixpk= 2318, nxpk= 25, iat= 959, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HG- 13 LYS HB3 4.50 (# 2319:25 Preassigned 2.45, 2.77 A)
&rst
ixpk= 2319, nxpk= 25, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 179, 180,
&end
#
# 7 MET HA 61 GLU HG- 4.50 (# 2320:25 Preassigned 3.80, 4.50 A)
&rst
ixpk= 2320, nxpk= 25, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 944, 945,
&end
#
# 59 VAL HB 5 ILE QG2 4.50 (# 2324:25 Preassigned 2.37, 3.52 A)
&rst
ixpk= 2324, nxpk= 25, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 51, 52, 53,
&end
#
# 22 ILE HG1- 22 ILE QG2 4.50 (# 2325:25 Preassigned 2.66, 3.62 A)
&rst
ixpk= 2325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 321, 322,
igr2= 317, 318, 319,
&end
#
# 48 VAL QG2 22 ILE QG2 3.50 (# 2326:25 Preassigned 2.29, 3.48 A)
&rst
ixpk= 2326, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 728, 729, 730,
igr2= 317, 318, 319,
&end
#
# 22 ILE HB 22 ILE QD1 4.50 (# 2327:25 Preassigned 2.52, 3.23 A)
&rst
ixpk= 2327, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 324, 325, 326,
&end
#
# 38 ILE QG2 38 ILE QD1 3.50 (# 2328:25 Preassigned 3.71, 4.70 A)
&rst
ixpk= 2328, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 573, 574, 575,
igr2= 580, 581, 582,
&end
#
# 26 GLN HG+ 26 GLN HA 4.50 (# 2329:25 Preassigned 2.47, 2.83 A)
&rst
ixpk= 2329, nxpk= 25, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 381, 382,
&end
#
# 0 AMB 25-3:2330 47 VAL HA 5.50 (# 2330:25 Single Ambig)
&rst
ixpk= 2330, nxpk= 25, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 61 GLU HB3 61 GLU HA 4.50 (# 2331:25 Preassigned 3.05, 3.05 A)
&rst
ixpk= 2331, nxpk= 25, iat= 942, 939, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 SER HN 4 SER HA 4.50 (# 2333:25 Preassigned 2.97, 2.97 A)
&rst
ixpk= 2333, nxpk= 25, iat= 34, 36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ILE HB 40 ILE HG1- 3.50 (# 2334:25 Preassigned 2.37, 2.42 A)
&rst
ixpk= 2334, nxpk= 25, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 610, 611,
&end
#
# 14 VAL QG2 13 LYS HA 5.50 (# 2335:25 Preassigned 3.36, 4.57 A)
&rst
ixpk= 2335, nxpk= 25, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 204, 205, 206,
&end
#
# 68 LEU HG 48 VAL QG1 5.50 (# 2336:25 Unique 4.96, 6.32 A)
&rst
ixpk= 2336, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 19 GLY HN 47 ILE QD1 5.50 (# 2339:25 Preassigned 5.70, 6.83 A)
&rst
ixpk= 2339, nxpk= 25, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 712, 713, 714,
&end
#
# 21 GLN HN 47 ILE QD1 5.50 (# 2340:25 Preassigned 4.23, 5.36 A)
&rst
ixpk= 2340, nxpk= 25, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 712, 713, 714,
&end
#
# 46 GLY HN 47 ILE QD1 5.50 (# 2341:25 Preassigned 4.94, 6.33 A)
&rst
ixpk= 2341, nxpk= 25, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 712, 713, 714,
&end
#
# 21 GLN HE2+ 47 ILE QD1 5.50 (# 2342:25 Preassigned 4.21, 5.99 A)
&rst
ixpk= 2342, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 306, 307,
igr2= 712, 713, 714,
&end
#
# 46 GLY HA- 47 ILE QD1 5.50 (# 2343:25 Preassigned 4.63, 6.10 A)
&rst
ixpk= 2343, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 694, 695,
igr2= 712, 713, 714,
&end
#
# 19 GLY HA- 47 ILE QD1 5.50 (# 2344:25 Preassigned 4.11, 6.21 A)
&rst
ixpk= 2344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 277, 278,
igr2= 712, 713, 714,
&end
#
# 14 VAL HN 30 ILE QD1 7.00 (# 2348:25 Preassigned 6.30, 7.49 A)
&rst
ixpk= 2348, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 445, 446, 447,
&end
#
# 60 ASN HN 5 ILE QD1 5.50 (# 2349:25 Preassigned 3.56, 6.18 A)
&rst
ixpk= 2349, nxpk= 25, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 58, 59, 60,
&end
#
# 29 ALA HA 30 ILE QD1 5.50 (# 2351:25 Preassigned 5.35, 5.93 A)
&rst
ixpk= 2351, nxpk= 25, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 445, 446, 447,
&end
#
# 39 PRO HD+ 30 ILE QD1 5.50 (# 2352:25 Preassigned 5.55, 7.07 A)
&rst
ixpk= 2352, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 587, 588,
igr2= 445, 446, 447,
&end
#
# 64 VAL HA 5 ILE QD1 7.00 (# 2354:25 Preassigned 4.00, 6.34 A)
&rst
ixpk= 2354, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 58, 59, 60,
&end
#
# 4 SER HB3 5 ILE QD1 7.00 (# 2355:25 Preassigned 4.29, 6.19 A)
&rst
ixpk= 2355, nxpk= 25, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 58, 59, 60,
&end
#
# 7 MET QG 40 ILE QD1 5.50 (# 2356:25 Preassigned 3.49, 5.33 A)
&rst
ixpk= 2356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 88, 89,
igr2= 613, 614, 615,
&end
#
# 27 GLU HG- 30 ILE QD1 5.50 (# 2357:25 Preassigned 4.36, 5.55 A)
&rst
ixpk= 2357, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 398, 399,
igr2= 445, 446, 447,
&end
#
# 37 GLU HN 38 ILE QD1 5.50 (# 2359:25 Preassigned 3.82, 4.58 A)
&rst
ixpk= 2359, nxpk= 25, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 580, 581, 582,
&end
#
# 31 LEU HB2 38 ILE QD1 5.50 (# 2360:25 Preassigned 5.54, 6.28 A)
&rst
ixpk= 2360, nxpk= 25, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 580, 581, 582,
&end
#
# 0 AMB 25-3:2361 21 ILE QD1 5.50 (# 2361:25 Single Ambig)
&rst
ixpk= 2361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 645, 367,
igr2= 324, 325, 326,
&end
#
# 41 VAL HA 22 ILE QD1 7.00 (# 2362:25 Preassigned 5.98, 7.23 A)
&rst
ixpk= 2362, nxpk= 25, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 324, 325, 326,
&end
#
# 0 AMB 25-3:2365 21 ILE QD1 5.50 (# 2365:25 Single Ambig)
&rst
ixpk= 2365, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 694, 695, 686,
igr2= 324, 325, 326,
&end
#
# 48 VAL HA 22 ILE QD1 5.50 (# 2366:25 Preassigned 4.30, 5.42 A)
&rst
ixpk= 2366, nxpk= 25, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 324, 325, 326,
&end
#
# 6 GLN HE2- 40 ILE QG2 5.50 (# 2368:25 Preassigned 2.04, 5.07 A)
&rst
ixpk= 2368, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 76, 77,
igr2= 606, 607, 608,
&end
#
# 68 LEU HA 47 ILE QG2 5.50 (# 2369:25 Preassigned 4.83, 6.07 A)
&rst
ixpk= 2369, nxpk= 25, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 705, 706, 707,
&end
#
# 42 ALA HA 40 ILE QG2 5.50 (# 2370:25 Preassigned 4.71, 5.99 A)
&rst
ixpk= 2370, nxpk= 25, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 606, 607, 608,
&end
#
# 31 LEU HB3 38 ILE QG2 4.50 (# 2372:25 Preassigned 4.14, 5.00 A)
&rst
ixpk= 2372, nxpk= 25, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 573, 574, 575,
&end
#
# 31 LEU HB2 38 ILE QG2 5.50 (# 2373:25 Preassigned 5.61, 6.57 A)
&rst
ixpk= 2373, nxpk= 25, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 573, 574, 575,
&end
#
# 50 GLU HN 18 ALA QB 5.50 (# 2374:25 Preassigned 4.78, 5.76 A)
&rst
ixpk= 2374, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 269, 270, 271,
&end
#
# 49 LYS HA 18 ALA QB 5.50 (# 2375:25 Preassigned 3.97, 5.32 A)
&rst
ixpk= 2375, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 269, 270, 271,
&end
#
# 51 VAL HB 18 ALA QB 7.00 (# 2376:25 Preassigned 4.63, 6.26 A)
&rst
ixpk= 2376, nxpk= 25, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 269, 270, 271,
&end
#
# 20 ASP HN 22 ILE QG2 5.50 (# 2379:25 Preassigned 5.76, 6.71 A)
&rst
ixpk= 2379, nxpk= 25, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 15 HID HN 28 VAL QG1 5.50 (# 2380:25 Preassigned 4.12, 5.55 A)
&rst
ixpk= 2380, nxpk= 25, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 412, 413, 414,
&end
#
# 16 VAL HN 22 ILE QG2 7.00 (# 2383:25 Preassigned 5.73, 6.59 A)
&rst
ixpk= 2383, nxpk= 25, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 317, 318, 319,
&end
#
# 11 LEU HA 30 ILE QG2 5.50 (# 2384:25 Preassigned 5.50, 6.58 A)
&rst
ixpk= 2384, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 438, 439, 440,
&end
#
# 39 PRO HD- 30 ILE QG2 5.50 (# 2385:25 Preassigned 4.43, 6.06 A)
&rst
ixpk= 2385, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 587, 588,
igr2= 438, 439, 440,
&end
#
# 48 VAL HA 22 ILE QG2 5.50 (# 2386:25 Preassigned 5.01, 5.97 A)
&rst
ixpk= 2386, nxpk= 25, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 48 VAL HA 16 VAL QG2 5.50 (# 2387:25 Preassigned 5.97, 6.93 A)
&rst
ixpk= 2387, nxpk= 25, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 237, 238, 239,
&end
#
# 32 GLU HB3 30 ILE QG2 5.50 (# 2388:25 Preassigned 5.29, 6.63 A)
&rst
ixpk= 2388, nxpk= 25, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 438, 439, 440,
&end
#
# 68 LEU HG 22 ILE QG2 7.00 (# 2389:25 Preassigned 6.65, 7.43 A)
&rst
ixpk= 2389, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 317, 318, 319,
&end
#
# 66 LEU HG 22 ILE QG2 5.50 (# 2390:25 Preassigned 4.26, 6.60 A)
&rst
ixpk= 2390, nxpk= 25, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 317, 318, 319,
&end
#
# 22 ILE HG1+ 28 VAL QG1 5.50 (# 2391:25 Preassigned 4.27, 6.09 A)
&rst
ixpk= 2391, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 321, 322,
igr2= 412, 413, 414,
&end
#
# 60 ASN HA 5 ILE QG2 5.50 (# 2395:25 Preassigned 4.46, 5.29 A)
&rst
ixpk= 2395, nxpk= 25, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 4 SER HA 5 ILE QG2 5.50 (# 2396:25 Preassigned 6.38, 6.64 A)
&rst
ixpk= 2396, nxpk= 25, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 9 GLY HN 5 ILE QG2 5.50 (# 2397:25 Preassigned 4.77, 5.71 A)
&rst
ixpk= 2397, nxpk= 25, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:2398 4 ILE QG2 5.50 (# 2398:25 Single Ambig)
&rst
ixpk= 2398, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 68, 69, 86,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:2399 58 VAL QG2 7.00 (# 2399:25 Single Ambig)
&rst
ixpk= 2399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 98, 959,
igr2= 917, 918, 919,
&end
#
# 22 ILE HG1+ 42 ALA QB 5.50 (# 2404:25 Preassigned 2.66, 4.05 A)
&rst
ixpk= 2404, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 321, 322,
igr2= 639, 640, 641,
&end
#
# 44 ARG HG- 42 ALA QB 4.50 (# 2405:25 Preassigned 4.39, 6.17 A)
&rst
ixpk= 2405, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 664, 665,
igr2= 639, 640, 641,
&end
#
# 25 GLY HA- 42 ALA QB 5.50 (# 2406:25 Preassigned 4.42, 5.91 A)
&rst
ixpk= 2406, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 369, 370,
igr2= 639, 640, 641,
&end
#
# 22 ILE HA 42 ALA QB 5.50 (# 2407:25 Preassigned 4.48, 5.25 A)
&rst
ixpk= 2407, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 639, 640, 641,
&end
#
# 28 VAL HN 42 ALA QB 5.50 (# 2408:25 Preassigned 4.80, 6.41 A)
&rst
ixpk= 2408, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 639, 640, 641,
&end
#
# 22 ILE HN 42 ALA QB 5.50 (# 2409:25 Preassigned 5.86, 6.35 A)
&rst
ixpk= 2409, nxpk= 25, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 639, 640, 641,
&end
#
# 9 GLY HA+ 8 ALA QB 5.50 (# 2410:25 Preassigned 4.24, 5.20 A)
&rst
ixpk= 2410, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 110, 111,
igr2= 102, 103, 104,
&end
#
# 0 AMB 25-3:2416 40 VAL QG1 5.50 (# 2416:25 Single Ambig)
&rst
ixpk= 2416, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 395, 396, 398, 399,
igr2= 625, 626, 627,
&end
#
# 65 LEU QD- 51 VAL QG1 4.50 (# 2419:25 Unique 2.84, 5.43 A)
&rst
ixpk= 2419, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 996, 997, 998,1000,1001,1002,
igr2= 777, 778, 779,
&end
#
# 50 GLU HN 51 VAL QG2 5.50 (# 2420:25 Preassigned 4.64, 5.40 A)
&rst
ixpk= 2420, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 781, 782, 783,
&end
#
# 22 ILE HN 16 VAL QG1 7.00 (# 2422:25 Preassigned 5.90, 6.64 A)
&rst
ixpk= 2422, nxpk= 25, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 233, 234, 235,
&end
#
# 0 AMB 25-3:2423 0 AMB 25-1:2423 5.50 (# 2423:25 Double Ambig)
&rst
ixpk= 2423, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 954, 955, 773, 602,
igr2= 981, 982, 983, 233, 234, 235, 24, 25, 26,
&end
#
# 26 GLN HN 28 VAL QG2 5.50 (# 2427:25 Preassigned 4.81, 6.20 A)
&rst
ixpk= 2427, nxpk= 25, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 416, 417, 418,
&end
#
# 14 VAL HN 29 ALA QB 5.50 (# 2428:25 Preassigned 5.13, 5.79 A)
&rst
ixpk= 2428, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 426, 427, 428,
&end
#
# 9 GLY HN 59 VAL QG1 5.50 (# 2429:25 Preassigned 5.96, 6.37 A)
&rst
ixpk= 2429, nxpk= 25, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 913, 914, 915,
&end
#
# 16 VAL HA 48 VAL QG1 5.50 (# 2431:25 Preassigned 4.56, 5.76 A)
&rst
ixpk= 2431, nxpk= 25, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 51 VAL QG2 17 LYS HG- 5.50 (# 2433:25 Preassigned 5.76, 6.40 A)
&rst
ixpk= 2433, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 781, 782, 783,
igr2= 250, 251,
&end
#
# 53 LYS HA 54 LYS HG- 5.50 (# 2434:25 Preassigned 3.46, 4.45 A)
&rst
ixpk= 2434, nxpk= 25, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 838, 839,
&end
#
# 50 GLU HN 68 LEU QD2 5.50 (# 2435:25 Preassigned 4.31, 5.72 A)
&rst
ixpk= 2435, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1053,1054,1055,
&end
#
# 69 SER HA 68 LEU QD2 7.00 (# 2436:25 Preassigned 6.02, 7.01 A)
&rst
ixpk= 2436, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1053,1054,1055,
&end
#
# 53 LYS QE 53 LYS HG- 4.50 (# 2437:25 Preassigned 2.40, 2.97 A)
&rst
ixpk= 2437, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 822, 823,
igr2= 816, 817,
&end
#
# 53 LYS HN 53 LYS HG- 5.50 (# 2438:25 Preassigned 3.27, 3.95 A)
&rst
ixpk= 2438, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 816, 817,
&end
#
# 14 VAL HN 13 LYS HG+ 5.50 (# 2439:25 Preassigned 3.74, 4.53 A)
&rst
ixpk= 2439, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 179, 180,
&end
#
# 53 LYS HN 53 LYS HG- 5.50 (# 2440:25 Preassigned 3.27, 3.95 A)
&rst
ixpk= 2440, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 816, 817,
&end
#
# 0 AMB 25-3:2441 12 LYS HG- 5.50 (# 2441:25 Single Ambig)
&rst
ixpk= 2441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 220, 161,
igr2= 179, 180,
&end
#
# 0 AMB 25-3:2442 0 AMB 25-1:2442 5.50 (# 2442:25 Double Ambig)
&rst
ixpk= 2442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 220, 161,
igr2= 179, 180, 179, 180,
&end
#
# 13 LYS HN 13 LYS HG- 5.50 (# 2443:25 Preassigned 3.53, 4.02 A)
&rst
ixpk= 2443, nxpk= 25, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 179, 180,
&end
#
# 14 VAL HN 13 LYS HG- 5.50 (# 2444:25 Preassigned 3.74, 4.53 A)
&rst
ixpk= 2444, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 179, 180,
&end
#
# 13 LYS HE+ 13 LYS HG- 5.50 (# 2446:25 Preassigned 2.43, 2.92 A)
&rst
ixpk= 2446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 185, 186,
igr2= 179, 180,
&end
#
# 30 ILE HB 13 LYS HG- 5.50 (# 2447:25 Preassigned 4.07, 4.82 A)
&rst
ixpk= 2447, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 179, 180,
&end
#
# 49 LYS HN 49 LYS HG+ 5.50 (# 2448:25 Preassigned 4.31, 4.49 A)
&rst
ixpk= 2448, nxpk= 25, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 741, 742,
&end
#
# 69 SER QB 49 LYS HG- 5.50 (# 2449:25 Preassigned 4.41, 6.08 A)
&rst
ixpk= 2449, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1063,1064,
igr2= 741, 742,
&end
#
# 69 SER QB 49 LYS HG+ 5.50 (# 2450:25 Preassigned 4.41, 6.08 A)
&rst
ixpk= 2450, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1063,1064,
igr2= 741, 742,
&end
#
# 67 GLU HN 52 LYS HG+ 5.50 (# 2451:25 Preassigned 3.14, 4.27 A)
&rst
ixpk= 2451, nxpk= 25, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 794, 795,
&end
#
# 67 GLU HN 52 LYS HG- 5.50 (# 2452:25 Preassigned 3.14, 4.27 A)
&rst
ixpk= 2452, nxpk= 25, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 794, 795,
&end
#
# 52 LYS HE+ 52 LYS HG+ 5.50 (# 2453:25 Preassigned 2.26, 3.02 A)
&rst
ixpk= 2453, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 800, 801,
igr2= 794, 795,
&end
#
# 52 LYS HE+ 52 LYS HG- 5.50 (# 2454:25 Preassigned 2.26, 3.02 A)
&rst
ixpk= 2454, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 800, 801,
igr2= 794, 795,
&end
#
# 64 VAL QG1 52 LYS HG- 4.50 (# 2455:25 Preassigned 2.31, 3.35 A)
&rst
ixpk= 2455, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 977, 978, 979,
igr2= 794, 795,
&end
#
# 0 AMB 25-3:2456 43 ARG HG- 5.50 (# 2456:25 Single Ambig)
&rst
ixpk= 2456, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 681, 692,
igr2= 664, 665,
&end
#
# 34 MET HA 35 LYS HG+ 5.50 (# 2461:25 Preassigned 3.49, 4.50 A)
&rst
ixpk= 2461, nxpk= 25, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 520, 521,
&end
#
# 34 MET HA 35 LYS HG- 5.50 (# 2462:25 Preassigned 3.49, 4.50 A)
&rst
ixpk= 2462, nxpk= 25, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 520, 521,
&end
#
# 0 AMB 25-3:2463 0 AMB 25-1:2463 5.50 (# 2463:25 Double Ambig)
&rst
ixpk= 2463, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 681, 692,
igr2= 664, 665, 664, 665,
&end
#
# 0 AMB 25-3:2464 0 AMB 25-1:2464 5.50 (# 2464:25 Double Ambig)
&rst
ixpk= 2464, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 451, 868,
igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
143, 144,
&end
#
# 3 VAL HA 66 LEU QD- 5.50 (# 2465:25 Preassigned 4.62, 6.31 A)
&rst
ixpk= 2465, nxpk= 25, iat= 20, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 25-3:2466 65 LEU QD- 5.50 (# 2466:25 Single Ambig)
&rst
ixpk= 2466, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 6,1042,1008,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 51 VAL HA 66 LEU QD- 5.50 (# 2468:25 Preassigned 4.33, 5.53 A)
&rst
ixpk= 2468, nxpk= 25, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 30 ILE HA 40 ILE HG1+ 5.50 (# 2469:25 Preassigned 2.71, 3.43 A)
&rst
ixpk= 2469, nxpk= 25, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 610, 611,
&end
#
# 30 ILE HA 40 ILE HG1- 5.50 (# 2470:25 Preassigned 2.71, 3.43 A)
&rst
ixpk= 2470, nxpk= 25, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 610, 611,
&end
#
# 39 PRO HA 40 ILE HG1+ 5.50 (# 2471:25 Preassigned 3.69, 4.59 A)
&rst
ixpk= 2471, nxpk= 25, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 610, 611,
&end
#
# 39 PRO HA 40 ILE HG1- 5.50 (# 2472:25 Preassigned 3.69, 4.59 A)
&rst
ixpk= 2472, nxpk= 25, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 610, 611,
&end
#
# 31 LEU HN 40 ILE HG1- 5.50 (# 2474:25 Preassigned 2.88, 3.55 A)
&rst
ixpk= 2474, nxpk= 25, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 610, 611,
&end
#
# 8 ALA HA 31 LEU HG 7.00 (# 2475:25 Preassigned 5.48, 5.79 A)
&rst
ixpk= 2475, nxpk= 25, iat= 100, 458, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:2476 0 AMB 25-1:2476 5.50 (# 2476:25 Double Ambig)
&rst
ixpk= 2476, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
igr1= 434, 174, 83, 909,
igr2= 138, 139, 140, 142, 143, 144, 458,
&end
#
# 5 ILE HN 65 LEU QD- 5.50 (# 2477:25 Preassigned 4.78, 6.50 A)
&rst
ixpk= 2477, nxpk= 25, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:2478 0 AMB 25-1:2478 4.50 (# 2478:25 Double Ambig)
&rst
ixpk= 2478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 233, 234, 235, 24, 25, 26,
igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 3 VAL QG1 65 LEU QD- 5.50 (# 2479:25 Preassigned 2.53, 6.12 A)
&rst
ixpk= 2479, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 24, 25, 26,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 12 TRP HN 11 LEU HG 5.50 (# 2480:25 Preassigned 3.08, 4.19 A)
&rst
ixpk= 2480, nxpk= 25, iat= 148, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2481 37 ILE HG1- 5.50 (# 2481:25 Single Ambig)
&rst
ixpk= 2481, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 539, 500, 501,
igr2= 577, 578,
&end
#
# 36 MET HB3 38 ILE HG1- 5.50 (# 2482:25 Preassigned 3.07, 4.02 A)
&rst
ixpk= 2482, nxpk= 25, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 577, 578,
&end
#
# 0 AMB 25-3:2483 0 AMB 25-1:2483 5.50 (# 2483:25 Double Ambig)
&rst
ixpk= 2483, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 451, 64,
igr2= 442, 443, 55, 56,
&end
#
# 31 LEU HN 30 ILE HG1+ 5.50 (# 2484:25 Preassigned 4.06, 4.54 A)
&rst
ixpk= 2484, nxpk= 25, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 0 AMB 25-3:2485 0 AMB 25-1:2485 5.50 (# 2485:25 Double Ambig)
&rst
ixpk= 2485, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1059, 406,
igr2=1047, 994,
&end
#
# 68 LEU HN 68 LEU HG 5.50 (# 2486:25 Preassigned 2.82, 3.00 A)
&rst
ixpk= 2486, nxpk= 25, iat=1040,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HE1 30 ILE HG1- 5.50 (# 2487:25 Preassigned 3.13, 4.11 A)
&rst
ixpk= 2487, nxpk= 25, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 442, 443,
&end
#
# 59 VAL HB 5 ILE HG1- 5.50 (# 2488:25 Preassigned 2.19, 2.96 A)
&rst
ixpk= 2488, nxpk= 25, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 55, 56,
&end
#
# 4 SER HA 5 ILE HG1- 5.50 (# 2489:25 Preassigned 3.57, 4.63 A)
&rst
ixpk= 2489, nxpk= 25, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 55, 56,
&end
#
# 27 GLU HG- 39 PRO HG- 5.50 (# 2490:25 Preassigned 4.52, 6.18 A)
&rst
ixpk= 2490, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 398, 399,
igr2= 590, 591,
&end
#
# 30 ILE QG2 39 PRO HG+ 5.50 (# 2492:25 Unique 4.92, 7.34 A)
&rst
ixpk= 2492, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 438, 439, 440,
igr2= 590, 591,
&end
#
# 11 LEU QD- 5 ILE HG1- 5.50 (# 2493:25 Preassigned 2.23, 4.61 A)
&rst
ixpk= 2493, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 138, 139, 140, 142, 143, 144,
igr2= 55, 56,
&end
#
# 0 AMB 25-3:2494 0 AMB 25-1:2494 5.50 (# 2494:25 Double Ambig)
&rst
ixpk= 2494, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 600, 619,
igr2= 590, 591, 590, 591,
&end
#
# 0 AMB 25-3:2495 38 PRO HG- 5.50 (# 2495:25 Single Ambig)
&rst
ixpk= 2495, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 600, 619,
igr2= 590, 591,
&end
#
# 14 VAL HN 13 LYS HD- 5.50 (# 2496:25 Preassigned 3.69, 4.66 A)
&rst
ixpk= 2496, nxpk= 25, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 182, 183,
&end
#
# 60 ASN HA 61 GLU HB3 5.50 (# 2497:25 Preassigned 4.72, 4.76 A)
&rst
ixpk= 2497, nxpk= 25, iat= 925, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HA 61 GLU HB2 5.50 (# 2498:25 Preassigned 4.49, 4.56 A)
&rst
ixpk= 2498, nxpk= 25, iat= 925, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLN HA 61 GLU HB2 5.50 (# 2499:25 Preassigned 3.98, 4.24 A)
&rst
ixpk= 2499, nxpk= 25, iat= 66, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLN HA 61 GLU HB3 5.50 (# 2500:25 Preassigned 4.80, 5.19 A)
&rst
ixpk= 2500, nxpk= 25, iat= 66, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER QB 49 LYS HD+ 5.50 (# 2501:25 Preassigned 4.12, 5.87 A)
&rst
ixpk= 2501, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1063,1064,
igr2= 744, 745,
&end
#
# 69 SER QB 49 LYS HD- 5.50 (# 2502:25 Preassigned 4.12, 5.87 A)
&rst
ixpk= 2502, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1063,1064,
igr2= 744, 745,
&end
#
# 49 LYS HA 49 LYS HD- 5.50 (# 2503:25 Preassigned 2.29, 4.43 A)
&rst
ixpk= 2503, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 744, 745,
&end
#
# 47 ILE QG2 21 GLN QB 5.50 (# 2505:25 Preassigned 4.24, 6.24 A)
&rst
ixpk= 2505, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 705, 706, 707,
igr2= 298, 299,
&end
#
# 22 ILE HA 21 GLN QB 5.50 (# 2506:25 Preassigned 4.57, 5.32 A)
&rst
ixpk= 2506, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 298, 299,
&end
#
# 34 MET HN 34 MET QB 5.50 (# 2507:25 Preassigned 2.76, 3.60 A)
&rst
ixpk= 2507, nxpk= 25, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 500, 501,
&end
#
# 25 GLY HN 24 LYS QD 5.50 (# 2508:25 Preassigned 5.20, 5.48 A)
&rst
ixpk= 2508, nxpk= 25, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 355, 356,
&end
#
# 11 LEU HA 12 TRP HB2 5.50 (# 2509:25 Preassigned 4.29, 4.36 A)
&rst
ixpk= 2509, nxpk= 25, iat= 131, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU HA 12 TRP HB3 5.50 (# 2510:25 Preassigned 4.60, 4.67 A)
&rst
ixpk= 2510, nxpk= 25, iat= 131, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HN 12 TRP HB3 5.50 (# 2511:25 Preassigned 4.31, 4.48 A)
&rst
ixpk= 2511, nxpk= 25, iat= 470, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HN 32 GLU HB2 5.50 (# 2512:25 Preassigned 3.69, 3.93 A)
&rst
ixpk= 2512, nxpk= 25, iat= 148, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HE3 32 GLU HB2 7.00 (# 2513:25 Preassigned 5.63, 5.96 A)
&rst
ixpk= 2513, nxpk= 25, iat= 167, 474, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 TRP HD1 32 GLU HB3 5.50 (# 2514:25 Preassigned 2.96, 3.38 A)
&rst
ixpk= 2514, nxpk= 25, iat= 156, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2- 32 GLU HB3 7.00 (# 2515:25 Preassigned 5.74, 6.43 A)
&rst
ixpk= 2515, nxpk= 25, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 124, 125,
&end
#
# 31 LEU HA 32 GLU HB3 5.50 (# 2516:25 Preassigned 4.52, 4.58 A)
&rst
ixpk= 2516, nxpk= 25, iat= 453, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HA 32 GLU HB2 5.50 (# 2517:25 Preassigned 4.52, 4.61 A)
&rst
ixpk= 2517, nxpk= 25, iat= 453, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HA 32 GLU HB2 5.50 (# 2518:25 Preassigned 3.72, 3.98 A)
&rst
ixpk= 2518, nxpk= 25, iat= 554, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HB3 12 TRP HB3 5.50 (# 2519:25 Preassigned 4.78, 5.17 A)
&rst
ixpk= 2519, nxpk= 25, iat= 475, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LYS HA 51 VAL HB 5.50 (# 2520:25 Preassigned 3.94, 4.24 A)
&rst
ixpk= 2520, nxpk= 25, iat= 245, 775, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ILE QD1 36 MET HG+ 5.50 (# 2521:25 Preassigned 4.33, 5.97 A)
&rst
ixpk= 2521, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 580, 581, 582,
igr2= 542, 543,
&end
#
# 0 AMB 25-3:2522 0 AMB 25-1:2522 5.50 (# 2522:25 Double Ambig)
&rst
ixpk= 2522, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 6,1008,
igr2=1029, 792,
&end
#
# 68 LEU HN 67 GLU HB2 5.50 (# 2524:25 Preassigned 2.70, 4.07 A)
&rst
ixpk= 2524, nxpk= 25, iat=1040,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLY HN 24 LYS HB3 5.50 (# 2525:25 Preassigned 4.20, 4.27 A)
&rst
ixpk= 2525, nxpk= 25, iat= 367, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HN 52 LYS HB3 5.50 (# 2526:25 Preassigned 4.34, 4.43 A)
&rst
ixpk= 2526, nxpk= 25, iat= 809, 792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HA 15 HID HB2 5.50 (# 2527:25 Preassigned 4.62, 4.70 A)
&rst
ixpk= 2527, nxpk= 25, iat= 196, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HA 39 PRO HB+ 5.50 (# 2528:25 Preassigned 4.49, 4.84 A)
&rst
ixpk= 2528, nxpk= 25, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 593, 594,
&end
#
# 15 HID HN 14 VAL HB 5.50 (# 2529:25 Preassigned 3.93, 4.02 A)
&rst
ixpk= 2529, nxpk= 25, iat= 210, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HN 6 GLN HG+ 5.50 (# 2530:25 Preassigned 3.61, 4.73 A)
&rst
ixpk= 2530, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 71, 72,
&end
#
# 6 GLN HE2- 6 GLN HG+ 5.50 (# 2531:25 Preassigned 2.27, 3.40 A)
&rst
ixpk= 2531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 76, 77,
igr2= 71, 72,
&end
#
# 7 MET HN 6 GLN HG- 5.50 (# 2532:25 Preassigned 3.61, 4.73 A)
&rst
ixpk= 2532, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 71, 72,
&end
#
# 55 GLU HN 14 VAL HB 5.50 (# 2533:25 Preassigned 3.62, 4.03 A)
&rst
ixpk= 2533, nxpk= 25, iat= 853, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 VAL HN 14 VAL HB 5.50 (# 2534:25 Preassigned 4.01, 4.46 A)
&rst
ixpk= 2534, nxpk= 25, iat= 227, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HN 49 LYS HB2 5.50 (# 2535:25 Preassigned 2.53, 2.91 A)
&rst
ixpk= 2535, nxpk= 25, iat=1059, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HN 49 LYS HB3 5.50 (# 2536:25 Preassigned 3.70, 4.08 A)
&rst
ixpk= 2536, nxpk= 25, iat=1059, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HN 21 GLN HG- 5.50 (# 2537:25 Preassigned 5.00, 6.20 A)
&rst
ixpk= 2537, nxpk= 25, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 301, 302,
&end
#
# 68 LEU HA 49 LYS HB2 5.50 (# 2538:25 Preassigned 3.00, 3.24 A)
&rst
ixpk= 2538, nxpk= 25, iat=1042, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU HA 49 LYS HB3 5.50 (# 2539:25 Preassigned 3.03, 3.36 A)
&rst
ixpk= 2539, nxpk= 25, iat=1042, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HA 49 LYS HB3 5.50 (# 2540:25 Preassigned 3.72, 4.22 A)
&rst
ixpk= 2540, nxpk= 25, iat=1061, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 VAL HA 49 LYS HB2 5.50 (# 2541:25 Preassigned 4.36, 4.66 A)
&rst
ixpk= 2541, nxpk= 25, iat= 720, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 VAL HA 49 LYS HB3 5.50 (# 2542:25 Preassigned 4.41, 4.59 A)
&rst
ixpk= 2542, nxpk= 25, iat= 720, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ILE QD1 7 MET HB2 5.50 (# 2546:25 Preassigned 4.73, 6.55 A)
&rst
ixpk= 2546, nxpk= 25, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582,
&end
#
# 32 GLU HN 32 GLU HG- 5.50 (# 2547:25 Preassigned 4.35, 4.54 A)
&rst
ixpk= 2547, nxpk= 25, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 477, 478,
&end
#
# 38 ILE HN 37 GLU HG- 5.50 (# 2548:25 Preassigned 4.29, 4.70 A)
&rst
ixpk= 2548, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 559, 560,
&end
#
# 33 SER HN 32 GLU HG- 5.50 (# 2549:25 Preassigned 3.09, 3.40 A)
&rst
ixpk= 2549, nxpk= 25, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 477, 478,
&end
#
# 0 AMB 25-3:2550 16 LYS QB 5.50 (# 2550:25 Single Ambig)
&rst
ixpk= 2550, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 229, 212,
igr2= 247, 248,
&end
#
# 17 LYS QE 17 LYS QB 5.50 (# 2551:25 Preassigned 2.13, 4.21 A)
&rst
ixpk= 2551, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 256, 257,
igr2= 247, 248,
&end
#
# 14 VAL HA 13 LYS HB3 5.50 (# 2552:25 Preassigned 4.26, 4.37 A)
&rst
ixpk= 2552, nxpk= 25, iat= 196, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HA 13 LYS HB2 5.50 (# 2553:25 Preassigned 4.71, 4.82 A)
&rst
ixpk= 2553, nxpk= 25, iat= 196, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2554 52 LYS HB3 5.50 (# 2554:25 Single Ambig)
&rst
ixpk= 2554, nxpk= 25, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 989, 131,
&end
#
# 12 TRP HD1 13 LYS HB2 7.00 (# 2555:25 Preassigned 6.57, 6.74 A)
&rst
ixpk= 2555, nxpk= 25, iat= 156, 176, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 GLY HN 55 GLU HG+ 5.50 (# 2556:25 Preassigned 4.35, 4.87 A)
&rst
ixpk= 2556, nxpk= 25, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 860, 861,
&end
#
# 56 GLY HN 55 GLU HG- 5.50 (# 2557:25 Preassigned 4.35, 4.87 A)
&rst
ixpk= 2557, nxpk= 25, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 860, 861,
&end
#
# 28 VAL HN 40 ILE HB 5.50 (# 2558:25 Preassigned 3.99, 4.10 A)
&rst
ixpk= 2558, nxpk= 25, iat= 406, 604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2559 0 AMB 25-1:2559 5.50 (# 2559:25 Double Ambig)
&rst
ixpk= 2559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 176, 200, 201, 202,
igr2= 860, 861, 860, 861,
&end
#
# 0 AMB 25-3:2560 0 AMB 25-1:2560 5.50 (# 2560:25 Double Ambig)
&rst
ixpk= 2560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 835, 836, 134,
igr2= 860, 861, 860, 861,
&end
#
# 0 AMB 25-3:2562 4 ILE HB 5.50 (# 2562:25 Single Ambig)
&rst
ixpk= 2562, nxpk= 25, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 39, 954, 955,
&end
#
# 40 ILE HN 27 GLU HG+ 5.50 (# 2563:25 Preassigned 2.93, 3.81 A)
&rst
ixpk= 2563, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 398, 399,
&end
#
# 62 GLY HN 5 ILE HB 5.50 (# 2564:25 Preassigned 3.83, 3.99 A)
&rst
ixpk= 2564, nxpk= 25, iat= 952, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HN 5 ILE HB 5.50 (# 2565:25 Preassigned 3.52, 3.81 A)
&rst
ixpk= 2565, nxpk= 25, iat= 81, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HA 27 GLU HG- 5.50 (# 2566:25 Preassigned 4.24, 4.72 A)
&rst
ixpk= 2566, nxpk= 25, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 398, 399,
&end
#
# 0 AMB 25-3:2567 0 AMB 25-1:2567 5.50 (# 2567:25 Double Ambig)
&rst
ixpk= 2567, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 596, 408,
igr2= 398, 399, 398, 399,
&end
#
# 10 ASN HA 58 PHE HB2 5.50 (# 2568:25 Preassigned 4.79, 4.85 A)
&rst
ixpk= 2568, nxpk= 25, iat= 117, 891, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HA 58 PHE HB3 5.50 (# 2569:25 Preassigned 5.50, 5.52 A)
&rst
ixpk= 2569, nxpk= 25, iat= 117, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLY HA- 47 ILE HB 5.50 (# 2570:25 Preassigned 4.66, 4.90 A)
&rst
ixpk= 2570, nxpk= 25, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 694, 695,
&end
#
# 46 GLY HA+ 47 ILE HB 5.50 (# 2571:25 Preassigned 4.66, 4.90 A)
&rst
ixpk= 2571, nxpk= 25, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 694, 695,
&end
#
# 16 VAL HA 20 ASP HB3 5.50 (# 2572:25 Preassigned 3.30, 3.50 A)
&rst
ixpk= 2572, nxpk= 25, iat= 229, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 VAL HA 20 ASP HB2 5.50 (# 2573:25 Preassigned 3.47, 3.63 A)
&rst
ixpk= 2573, nxpk= 25, iat= 229, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2+ 10 ASN HB3 5.50 (# 2574:25 Preassigned 3.57, 3.86 A)
&rst
ixpk= 2574, nxpk= 25, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 124, 125,
&end
#
# 12 TRP HN 11 LEU HB3 5.50 (# 2575:25 Preassigned 3.59, 4.28 A)
&rst
ixpk= 2575, nxpk= 25, iat= 148, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HN 10 ASN HB3 5.50 (# 2576:25 Preassigned 4.58, 4.65 A)
&rst
ixpk= 2576, nxpk= 25, iat= 470, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HN 11 LEU HB2 5.50 (# 2577:25 Preassigned 4.47, 4.57 A)
&rst
ixpk= 2577, nxpk= 25, iat= 148, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HN 10 ASN HB2 5.50 (# 2578:25 Preassigned 3.93, 4.12 A)
&rst
ixpk= 2578, nxpk= 25, iat= 470, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HA 11 LEU HB3 5.50 (# 2579:25 Preassigned 4.67, 4.90 A)
&rst
ixpk= 2579, nxpk= 25, iat= 117, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HE1 13 LYS HE+ 5.50 (# 2581:25 Preassigned 5.00, 6.02 A)
&rst
ixpk= 2581, nxpk= 25, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 185, 186,
&end
#
# 12 TRP HE1 13 LYS HE- 5.50 (# 2582:25 Preassigned 5.00, 6.02 A)
&rst
ixpk= 2582, nxpk= 25, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 185, 186,
&end
#
# 0 AMB 25-3:2583 59 ASN HB- 5.50 (# 2583:25 Single Ambig)
&rst
ixpk= 2583, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 909, 961,
igr2= 927, 928,
&end
#
# 12 TRP HN 30 ILE HB 5.50 (# 2585:25 Preassigned 4.05, 4.62 A)
&rst
ixpk= 2585, nxpk= 25, iat= 148, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HA 30 ILE HB 5.50 (# 2586:25 Preassigned 4.44, 4.48 A)
&rst
ixpk= 2586, nxpk= 25, iat= 424, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HN 53 LYS QE 5.50 (# 2588:25 Preassigned 4.25, 4.99 A)
&rst
ixpk= 2588, nxpk= 25, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 822, 823,
&end
#
# 54 LYS HN 53 LYS QE 7.00 (# 2589:25 Preassigned 5.93, 6.06 A)
&rst
ixpk= 2589, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 822, 823,
&end
#
# 68 LEU HN 68 LEU HB2 5.50 (# 2591:25 Preassigned 2.45, 2.55 A)
&rst
ixpk= 2591, nxpk= 25, iat=1040,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLY HA+ 68 LEU HB2 5.50 (# 2592:25 Preassigned 4.04, 5.18 A)
&rst
ixpk= 2592, nxpk= 25, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 694, 695,
&end
#
# 46 GLY HA+ 68 LEU HB3 5.50 (# 2595:25 Preassigned 2.68, 3.73 A)
&rst
ixpk= 2595, nxpk= 25, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 694, 695,
&end
#
# 46 GLY HA- 68 LEU HB2 5.50 (# 2597:25 Preassigned 4.04, 5.18 A)
&rst
ixpk= 2597, nxpk= 25, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 694, 695,
&end
#
# 48 VAL HA 68 LEU HB2 5.50 (# 2598:25 Preassigned 5.24, 5.35 A)
&rst
ixpk= 2598, nxpk= 25, iat= 720,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2599 67 LEU HB2 5.50 (# 2599:25 Single Ambig)
&rst
ixpk= 2599, nxpk= 25, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 699,1025,
&end
#
# 41 VAL HB 25 GLY HA+ 5.50 (# 2600:25 Preassigned 2.41, 3.33 A)
&rst
ixpk= 2600, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 369, 370,
&end
#
# 24 LYS QG 25 GLY HA- 5.50 (# 2601:25 Preassigned 3.58, 4.39 A)
&rst
ixpk= 2601, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 352, 353,
igr2= 369, 370,
&end
#
# 18 ALA QB 19 GLY HA- 5.50 (# 2602:25 Preassigned 4.53, 5.31 A)
&rst
ixpk= 2602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 269, 270, 271,
igr2= 277, 278,
&end
#
# 48 VAL HB 19 GLY HA- 5.50 (# 2603:25 Preassigned 4.42, 4.92 A)
&rst
ixpk= 2603, nxpk= 25, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 277, 278,
&end
#
# 10 ASN HA 9 GLY HA+ 5.50 (# 2604:25 Preassigned 4.43, 4.56 A)
&rst
ixpk= 2604, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 10 ASN HA 9 GLY HA- 5.50 (# 2607:25 Preassigned 4.43, 4.56 A)
&rst
ixpk= 2607, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 58 PHE HD 9 GLY HA- 5.50 (# 2609:25 Preassigned 5.05, 7.13 A)
&rst
ixpk= 2609, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 895, 903,
igr2= 110, 111,
&end
#
# 69 SER HN 46 GLY HA+ 5.50 (# 2610:25 Preassigned 3.58, 5.02 A)
&rst
ixpk= 2610, nxpk= 25, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 694, 695,
&end
#
# 32 GLU HN 9 GLY HA+ 5.50 (# 2611:25 Preassigned 4.11, 4.87 A)
&rst
ixpk= 2611, nxpk= 25, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 32 GLU HN 9 GLY HA- 5.50 (# 2612:25 Preassigned 4.11, 4.87 A)
&rst
ixpk= 2612, nxpk= 25, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 8 ALA HA 9 GLY HA+ 5.50 (# 2613:25 Preassigned 4.34, 4.44 A)
&rst
ixpk= 2613, nxpk= 25, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110, 111,
&end
#
# 69 SER HN 46 GLY HA- 5.50 (# 2614:25 Preassigned 3.58, 5.02 A)
&rst
ixpk= 2614, nxpk= 25, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 694, 695,
&end
#
# 0 AMB 25-3:2615 30 LEU HB3 5.50 (# 2615:25 Single Ambig)
&rst
ixpk= 2615, nxpk= 25, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 148, 600,
&end
#
# 0 AMB 25-3:2616 30 LEU HB2 5.50 (# 2616:25 Single Ambig)
&rst
ixpk= 2616, nxpk= 25, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 148, 600,
&end
#
# 30 ILE HA 31 LEU HB3 5.50 (# 2617:25 Preassigned 4.10, 4.16 A)
&rst
ixpk= 2617, nxpk= 25, iat= 434, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2618 30 LEU HB3 5.50 (# 2618:25 Single Ambig)
&rst
ixpk= 2618, nxpk= 25, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 131, 602,
&end
#
# 30 ILE HA 31 LEU HB2 5.50 (# 2619:25 Preassigned 4.23, 4.31 A)
&rst
ixpk= 2619, nxpk= 25, iat= 434, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU HA 31 LEU HB2 5.50 (# 2620:25 Preassigned 3.62, 3.91 A)
&rst
ixpk= 2620, nxpk= 25, iat= 131, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HN 8 ALA HA 5.50 (# 2622:25 Preassigned 4.59, 4.71 A)
&rst
ixpk= 2622, nxpk= 25, iat= 81, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ILE HG1+ 39 PRO HD- 5.50 (# 2623:25 Preassigned 4.22, 5.05 A)
&rst
ixpk= 2623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 577, 578,
igr2= 587, 588,
&end
#
# 38 ILE HG1- 39 PRO HD- 5.50 (# 2624:25 Preassigned 4.22, 5.05 A)
&rst
ixpk= 2624, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 577, 578,
igr2= 587, 588,
&end
#
# 13 LYS HB3 29 ALA HA 5.50 (# 2625:25 Preassigned 4.72, 4.91 A)
&rst
ixpk= 2625, nxpk= 25, iat= 177, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2626 38 PRO HD- 5.50 (# 2626:25 Single Ambig)
&rst
ixpk= 2626, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 438, 439, 440, 445, 446, 447,
igr2= 587, 588,
&end
#
# 15 HID HB2 29 ALA HA 5.50 (# 2627:25 Preassigned 4.39, 4.55 A)
&rst
ixpk= 2627, nxpk= 25, iat= 214, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2628 28 ALA HA 5.50 (# 2628:25 Single Ambig)
&rst
ixpk= 2628, nxpk= 25, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 198, 395, 396,
&end
#
# 15 HID HA 29 ALA HA 5.50 (# 2629:25 Preassigned 5.34, 5.46 A)
&rst
ixpk= 2629, nxpk= 25, iat= 212, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HN 29 ALA HA 5.50 (# 2631:25 Preassigned 4.54, 4.64 A)
&rst
ixpk= 2631, nxpk= 25, iat= 172, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HN 29 ALA HA 5.50 (# 2632:25 Preassigned 4.81, 4.86 A)
&rst
ixpk= 2632, nxpk= 25, iat= 600, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL HN 29 ALA HA 5.50 (# 2633:25 Preassigned 4.37, 4.46 A)
&rst
ixpk= 2633, nxpk= 25, iat= 406, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HN 29 ALA HA 5.50 (# 2634:25 Preassigned 4.51, 4.56 A)
&rst
ixpk= 2634, nxpk= 25, iat= 194, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HN 39 PRO HD- 5.50 (# 2635:25 Preassigned 5.43, 5.58 A)
&rst
ixpk= 2635, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 587, 588,
&end
#
# 38 ILE HN 39 PRO HD- 5.50 (# 2636:25 Preassigned 4.46, 4.81 A)
&rst
ixpk= 2636, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 587, 588,
&end
#
# 11 LEU HA 10 ASN HA 5.50 (# 2638:25 Preassigned 4.26, 4.29 A)
&rst
ixpk= 2638, nxpk= 25, iat= 131, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2639 9 ASN HA 5.50 (# 2639:25 Single Ambig)
&rst
ixpk= 2639, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 891, 152,
&end
#
# 58 PHE HB3 10 ASN HA 5.50 (# 2640:25 Preassigned 5.50, 5.52 A)
&rst
ixpk= 2640, nxpk= 25, iat= 892, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLY HA+ 10 ASN HA 5.50 (# 2641:25 Preassigned 4.43, 4.56 A)
&rst
ixpk= 2641, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 110, 111,
&end
#
# 11 LEU HB3 10 ASN HA 5.50 (# 2642:25 Preassigned 4.67, 4.90 A)
&rst
ixpk= 2642, nxpk= 25, iat= 134, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU HG 10 ASN HA 7.00 (# 2643:25 Preassigned 4.28, 6.21 A)
&rst
ixpk= 2643, nxpk= 25, iat= 136, 117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 59 VAL QG1 10 ASN HA 5.50 (# 2644:25 Preassigned 4.18, 5.17 A)
&rst
ixpk= 2644, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 32 GLU HB3 10 ASN HA 5.50 (# 2645:25 Preassigned 5.11, 5.26 A)
&rst
ixpk= 2645, nxpk= 25, iat= 475, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2- 10 ASN HA 5.50 (# 2646:25 Preassigned 2.28, 2.99 A)
&rst
ixpk= 2646, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 124, 125,
&end
#
# 48 VAL HA 66 LEU HA 7.00 (# 2647:25 Preassigned 6.35, 6.45 A)
&rst
ixpk= 2647, nxpk= 25, iat= 720,1008, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 52 LYS HB3 66 LEU HA 5.50 (# 2648:25 Preassigned 4.40, 4.94 A)
&rst
ixpk= 2648, nxpk= 25, iat= 792,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2649 41 ALA HA 5.50 (# 2649:25 Single Ambig)
&rst
ixpk= 2649, nxpk= 25, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 22, 623,
&end
#
# 48 VAL QG1 66 LEU HA 5.50 (# 2650:25 Preassigned 4.56, 5.39 A)
&rst
ixpk= 2650, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 724, 725, 726,
&end
#
# 50 GLU HN 66 LEU HA 5.50 (# 2651:25 Preassigned 4.73, 4.90 A)
&rst
ixpk= 2651, nxpk= 25, iat= 756,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HN 66 LEU HA 5.50 (# 2652:25 Preassigned 4.65, 4.93 A)
&rst
ixpk= 2652, nxpk= 25, iat= 809,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 LEU HN 66 LEU HA 5.50 (# 2653:25 Preassigned 4.40, 4.61 A)
&rst
ixpk= 2653, nxpk= 25, iat= 987,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 VAL HN 66 LEU HA 5.50 (# 2654:25 Preassigned 4.70, 4.87 A)
&rst
ixpk= 2654, nxpk= 25, iat= 771,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2655 67 LEU HA 5.50 (# 2655:25 Single Ambig)
&rst
ixpk= 2655, nxpk= 25, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 699,1025,
&end
#
# 48 VAL QG2 68 LEU HA 5.50 (# 2656:25 Preassigned 4.60, 5.58 A)
&rst
ixpk= 2656, nxpk= 25, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 0 AMB 25-3:2658 0 AMB 25-1:2658 4.50 (# 2658:25 Double Ambig)
&rst
ixpk= 2658, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 200, 201, 202, 777, 778, 779,
igr2= 833, 245,
&end
#
# 44 ARG QD 44 ARG HA 5.50 (# 2659:25 Preassigned 4.08, 5.16 A)
&rst
ixpk= 2659, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 667, 668,
&end
#
# 0 AMB 25-3:2660 0 AMB 25-1:2660 5.50 (# 2660:25 Double Ambig)
&rst
ixpk= 2660, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 685, 110, 111,
igr2= 659, 83,
&end
#
# 0 AMB 25-3:2664 19 ASP HA 5.50 (# 2664:25 Single Ambig)
&rst
ixpk= 2664, nxpk= 25, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 722, 231, 301, 302,
&end
#
# 47 ILE QG2 20 ASP HA 5.50 (# 2665:25 Preassigned 4.82, 5.97 A)
&rst
ixpk= 2665, nxpk= 25, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 705, 706, 707,
&end
#
# 10 ASN HA 11 LEU HA 5.50 (# 2667:25 Preassigned 4.26, 4.29 A)
&rst
ixpk= 2667, nxpk= 25, iat= 117, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ALA HA 50 GLU HA 5.50 (# 2668:25 Preassigned 3.36, 3.57 A)
&rst
ixpk= 2668, nxpk= 25, iat= 267, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HN 50 GLU HA 5.50 (# 2671:25 Preassigned 4.81, 4.93 A)
&rst
ixpk= 2671, nxpk= 25, iat= 734, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HG- 52 LYS HA 5.50 (# 2672:25 Preassigned 3.58, 4.79 A)
&rst
ixpk= 2672, nxpk= 25, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 763, 764,
&end
#
# 52 LYS HE- 52 LYS HA 5.50 (# 2673:25 Preassigned 2.49, 4.25 A)
&rst
ixpk= 2673, nxpk= 25, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 800, 801,
&end
#
# 64 VAL QG1 4 SER HA 5.50 (# 2675:25 Preassigned 3.82, 4.73 A)
&rst
ixpk= 2675, nxpk= 25, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 977, 978, 979,
&end
#
# 65 LEU HB3 4 SER HA 5.50 (# 2677:25 Preassigned 2.92, 3.20 A)
&rst
ixpk= 2677, nxpk= 25, iat= 992, 36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HG1- 4 SER HA 5.50 (# 2678:25 Preassigned 3.57, 4.63 A)
&rst
ixpk= 2678, nxpk= 25, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 56,
&end
#
# 49 LYS HN 69 SER HA 5.50 (# 2684:25 Preassigned 4.36, 4.93 A)
&rst
ixpk= 2684, nxpk= 25, iat= 734,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HE2+ 22 ILE HA 5.50 (# 2685:25 Preassigned 2.24, 3.61 A)
&rst
ixpk= 2685, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 387,
&end
#
# 23 GLU HB3 22 ILE HA 5.50 (# 2688:25 Preassigned 4.32, 4.36 A)
&rst
ixpk= 2688, nxpk= 25, iat= 335, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HD- 69 SER HA 5.50 (# 2689:25 Preassigned 2.31, 3.77 A)
&rst
ixpk= 2689, nxpk= 25, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 744, 745,
&end
#
# 9 GLY HN 59 VAL HA 5.50 (# 2691:25 Preassigned 4.88, 4.97 A)
&rst
ixpk= 2691, nxpk= 25, iat= 108, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2692 58 VAL HA 5.50 (# 2692:25 Single Ambig)
&rst
ixpk= 2692, nxpk= 25, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 932, 933, 959,
&end
#
# 0 AMB 25-3:2694 39 ILE HA 5.50 (# 2694:25 Single Ambig)
&rst
ixpk= 2694, nxpk= 25, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 426, 427, 428, 442, 443,
&end
#
# 39 PRO HA 40 ILE HA 5.50 (# 2695:25 Preassigned 4.51, 4.53 A)
&rst
ixpk= 2695, nxpk= 25, iat= 596, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PRO HB+ 30 ILE HA 5.50 (# 2696:25 Preassigned 4.49, 4.84 A)
&rst
ixpk= 2696, nxpk= 25, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 593, 594,
&end
#
# 14 VAL HA 30 ILE HA 7.00 (# 2697:25 Preassigned 6.36, 6.41 A)
&rst
ixpk= 2697, nxpk= 25, iat= 196, 434, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 31 LEU HA 30 ILE HA 5.50 (# 2698:25 Preassigned 4.46, 4.48 A)
&rst
ixpk= 2698, nxpk= 25, iat= 453, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2702 50 VAL HA 5.50 (# 2702:25 Single Ambig)
&rst
ixpk= 2702, nxpk= 25, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 797, 798,1013, 816, 817,
&end
#
# 0 AMB 25-3:2703 13 VAL HA 5.50 (# 2703:25 Single Ambig)
&rst
ixpk= 2703, nxpk= 25, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 233, 234, 235, 445, 446, 447,
&end
#
# 11 LEU QD+ 14 VAL HA 5.50 (# 2704:25 Preassigned 4.00, 5.67 A)
&rst
ixpk= 2704, nxpk= 25, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 15 HID HB2 14 VAL HA 5.50 (# 2705:25 Preassigned 4.62, 4.70 A)
&rst
ixpk= 2705, nxpk= 25, iat= 214, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HA 14 VAL HA 5.50 (# 2706:25 Preassigned 4.42, 4.44 A)
&rst
ixpk= 2706, nxpk= 25, iat= 212, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HN 14 VAL HA 5.50 (# 2707:25 Preassigned 4.73, 4.80 A)
&rst
ixpk= 2707, nxpk= 25, iat= 422, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 MET HN 33 SER HB3 5.50 (# 2708:25 Preassigned 4.98, 5.04 A)
&rst
ixpk= 2708, nxpk= 25, iat= 535, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HA 33 SER HB3 5.50 (# 2709:25 Preassigned 4.80, 4.88 A)
&rst
ixpk= 2709, nxpk= 25, iat= 472, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET QG 33 SER HB3 5.50 (# 2710:25 Preassigned 3.92, 4.67 A)
&rst
ixpk= 2710, nxpk= 25, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 88, 89,
&end
#
# 36 MET HB2 33 SER HB3 5.50 (# 2711:25 Preassigned 5.05, 5.33 A)
&rst
ixpk= 2711, nxpk= 25, iat= 539, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ILE HA 48 VAL HA 5.50 (# 2719:25 Preassigned 4.40, 4.45 A)
&rst
ixpk= 2719, nxpk= 25, iat= 701, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HB2 45 SER HB3 5.50 (# 2722:25 Preassigned 5.10, 5.23 A)
&rst
ixpk= 2722, nxpk= 25, iat= 349, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ARG HG+ 45 SER HB2 5.50 (# 2725:25 Preassigned 5.15, 6.11 A)
&rst
ixpk= 2725, nxpk= 25, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 664, 665,
&end
#
# 0 AMB 25-3:2726 44 SER HB2 5.50 (# 2726:25 Single Ambig)
&rst
ixpk= 2726, nxpk= 25, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 350, 662, 355, 356,
&end
#
# 23 GLU HB2 45 SER HB2 5.50 (# 2727:25 Preassigned 5.53, 5.54 A)
&rst
ixpk= 2727, nxpk= 25, iat= 334, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HB2 45 SER HB3 5.50 (# 2728:25 Preassigned 3.90, 3.93 A)
&rst
ixpk= 2728, nxpk= 25, iat= 334, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL QG1 4 SER HB3 5.50 (# 2729:25 Preassigned 4.66, 5.78 A)
&rst
ixpk= 2729, nxpk= 25, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 977, 978, 979,
&end
#
# 64 VAL QG1 4 SER HB2 5.50 (# 2730:25 Preassigned 5.18, 6.45 A)
&rst
ixpk= 2730, nxpk= 25, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 977, 978, 979,
&end
#
# 0 AMB 25-3:2731 0 AMB 25-1:2731 5.50 (# 2731:25 Double Ambig)
&rst
ixpk= 2731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 51, 52, 53, 28, 29, 30,
igr2= 39, 38,
&end
#
# 0 AMB 25-3:2732 0 AMB 25-1:2732 5.50 (# 2732:25 Double Ambig)
&rst
ixpk= 2732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 51, 52, 53, 28, 29, 30,
igr2= 39, 38,
&end
#
# 53 LYS HG- 53 LYS QE 4.50 (# 2736:25 Preassigned 2.40, 2.97 A)
&rst
ixpk= 2736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 816, 817,
igr2= 822, 823,
&end
#
# 0 AMB 25-3:2737 51 LYS HE- 5.50 (# 2737:25 Single Ambig)
&rst
ixpk= 2737, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1030, 761,
igr2= 800, 801,
&end
#
# 52 LYS HG+ 52 LYS HE- 4.50 (# 2738:25 Preassigned 2.26, 3.02 A)
&rst
ixpk= 2738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 794, 795,
igr2= 800, 801,
&end
#
# 0 AMB 25-3:2739 0 AMB 25-1:2739 5.50 (# 2739:25 Double Ambig)
&rst
ixpk= 2739, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 760, 763, 764,
igr2= 747, 748, 800, 801,
&end
#
# 11 LEU HB3 11 LEU HG 4.50 (# 2740:25 Preassigned 2.50, 2.60 A)
&rst
ixpk= 2740, nxpk= 25, iat= 134, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ARG HN 43 ASP HB3 5.50 (# 2741:25 Preassigned 2.99, 3.11 A)
&rst
ixpk= 2741, nxpk= 25, iat= 657, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 MET HN 33 SER HB2 5.50 (# 2742:25 Preassigned 3.87, 3.93 A)
&rst
ixpk= 2742, nxpk= 25, iat= 496, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ILE HN 32 GLU HA 5.50 (# 2743:25 Preassigned 3.64, 3.70 A)
&rst
ixpk= 2743, nxpk= 25, iat= 567, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HE2+ 26 GLN HA 5.50 (# 2744:25 Preassigned 4.55, 5.31 A)
&rst
ixpk= 2744, nxpk= 25, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 387,
&end
#
# 8 ALA QB 9 GLY HA- 5.50 (# 2745:25 Preassigned 4.24, 5.20 A)
&rst
ixpk= 2745, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 102, 103, 104,
igr2= 110, 111,
&end
#
# 42 ALA QB 24 LYS HA 4.50 (# 2747:25 Preassigned 2.62, 3.58 A)
&rst
ixpk= 2747, nxpk= 25, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 639, 640, 641,
&end
#
# 36 MET HN 34 MET HA 5.50 (# 2748:25 Preassigned 4.52, 4.56 A)
&rst
ixpk= 2748, nxpk= 25, iat= 535, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 SER HN 34 MET HA 7.00 (# 2750:25 Preassigned 5.62, 5.67 A)
&rst
ixpk= 2750, nxpk= 25, iat= 485, 498, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 29 ALA HN 41 VAL HA 5.50 (# 2751:25 Preassigned 3.91, 4.00 A)
&rst
ixpk= 2751, nxpk= 25, iat= 422, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ALA HA 19 GLY HA- 4.50 (# 2752:25 Preassigned 4.42, 4.48 A)
&rst
ixpk= 2752, nxpk= 25, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 277, 278,
&end
#
# 44 ARG HN 24 LYS QG 5.50 (# 2760:25 Preassigned 3.94, 4.96 A)
&rst
ixpk= 2760, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 352, 353,
&end
#
# 43 ASP HN 3 VAL QG2 5.50 (# 2765:25 Preassigned 2.41, 3.44 A)
&rst
ixpk= 2765, nxpk= 25, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 28, 29, 30,
&end
#
# 0 AMB 25-3:2766 0 AMB 25-1:2766 4.50 (# 2766:25 Double Ambig)
&rst
ixpk= 2766, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 571, 49,
igr2= 458, 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:2767 0 AMB 25-1:2767 5.50 (# 2767:25 Double Ambig)
&rst
ixpk= 2767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 134, 456,
igr2= 138, 139, 140, 142, 143, 144, 458,
&end
#
# 11 LEU HN 55 GLU HA 5.50 (# 2768:25 Preassigned 5.16, 5.45 A)
&rst
ixpk= 2768, nxpk= 25, iat= 129, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LYS HN 20 ASP HB2 5.50 (# 2770:25 Preassigned 2.17, 2.42 A)
&rst
ixpk= 2770, nxpk= 25, iat= 243, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL QG1 28 VAL HA 4.50 (# 2781:25 Preassigned 2.38, 3.19 A)
&rst
ixpk= 2781, nxpk= 25, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 412, 413, 414,
&end
#
# 0 AMB 25-3:2782 27 VAL HA 5.50 (# 2782:25 Single Ambig)
&rst
ixpk= 2782, nxpk= 25, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 237, 238, 239,1015,1016,1017,1019,1020,1021,1015,
1016,1017,1019,1020,1021,
&end
#
# 28 VAL QG2 28 VAL HA 4.50 (# 2783:25 Preassigned 2.37, 3.52 A)
&rst
ixpk= 2783, nxpk= 25, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 416, 417, 418,
&end
#
# 16 VAL QG1 28 VAL HA 4.50 (# 2784:25 Preassigned 2.46, 3.73 A)
&rst
ixpk= 2784, nxpk= 25, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 233, 234, 235,
&end
#
# 28 VAL HB 28 VAL HA 4.50 (# 2785:25 Preassigned 2.53, 2.76 A)
&rst
ixpk= 2785, nxpk= 25, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HB2 28 VAL HA 5.50 (# 2786:25 Preassigned 2.31, 2.79 A)
&rst
ixpk= 2786, nxpk= 25, iat= 214, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HB3 28 VAL HA 5.50 (# 2787:25 Preassigned 4.00, 4.51 A)
&rst
ixpk= 2787, nxpk= 25, iat= 215, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HA 28 VAL HA 7.00 (# 2788:25 Preassigned 6.61, 6.90 A)
&rst
ixpk= 2788, nxpk= 25, iat= 376, 408, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 GLU HA 28 VAL HA 4.50 (# 2789:25 Preassigned 4.44, 4.48 A)
&rst
ixpk= 2789, nxpk= 25, iat= 393, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL HA 28 VAL HA 5.50 (# 2790:25 Preassigned 5.00, 5.31 A)
&rst
ixpk= 2790, nxpk= 25, iat= 229, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HD2 28 VAL HA 5.50 (# 2791:25 Preassigned 2.58, 2.95 A)
&rst
ixpk= 2791, nxpk= 25, iat= 223, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HE2+ 28 VAL HA 5.50 (# 2792:25 Preassigned 2.97, 4.23 A)
&rst
ixpk= 2792, nxpk= 25, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 387,
&end
#
# 29 ALA HN 28 VAL HA 5.50 (# 2793:25 Preassigned 3.51, 3.57 A)
&rst
ixpk= 2793, nxpk= 25, iat= 422, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL HN 28 VAL HA 5.50 (# 2794:25 Preassigned 2.97, 2.98 A)
&rst
ixpk= 2794, nxpk= 25, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ILE HN 37 GLU HA 2.80 (# 2795:25 Preassigned 2.22, 2.23 A)
&rst
ixpk= 2795, nxpk= 25, iat= 567, 554, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 LEU HN 37 GLU HA 5.50 (# 2796:25 Preassigned 4.41, 4.46 A)
&rst
ixpk= 2796, nxpk= 25, iat= 451, 554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 SER HN 37 GLU HA 5.50 (# 2797:25 Preassigned 3.36, 3.44 A)
&rst
ixpk= 2797, nxpk= 25, iat= 485, 554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HN 37 GLU HA 4.50 (# 2798:25 Preassigned 2.96, 2.96 A)
&rst
ixpk= 2798, nxpk= 25, iat= 552, 554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HA 37 GLU HA 4.50 (# 2799:25 Preassigned 2.27, 2.29 A)
&rst
ixpk= 2799, nxpk= 25, iat= 472, 554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLU HG+ 37 GLU HA 5.50 (# 2800:25 Preassigned 2.47, 3.05 A)
&rst
ixpk= 2800, nxpk= 25, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 559, 560,
&end
#
# 0 AMB 25-3:2801 36 GLU HA 4.50 (# 2801:25 Single Ambig)
&rst
ixpk= 2801, nxpk= 25, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 556, 571,
&end
#
# 37 GLU HB3 37 GLU HA 4.50 (# 2802:25 Preassigned 2.43, 2.44 A)
&rst
ixpk= 2802, nxpk= 25, iat= 557, 554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLU HG- 37 GLU HA 4.50 (# 2803:25 Preassigned 2.47, 3.05 A)
&rst
ixpk= 2803, nxpk= 25, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 559, 560,
&end
#
# 30 ILE QG2 37 GLU HA 4.50 (# 2804:25 Preassigned 3.84, 4.28 A)
&rst
ixpk= 2804, nxpk= 25, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 438, 439, 440,
&end
#
# 58 PHE HN 57 ASP HB2 4.50 (# 2805:25 Preassigned 3.87, 3.98 A)
&rst
ixpk= 2805, nxpk= 25, iat= 887, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2806 0 AMB 25-1:2806 5.50 (# 2806:25 Double Ambig)
&rst
ixpk= 2806, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 739, 797, 798,
igr2=1032,1033,1032,1033,
&end
#
# 12 TRP HZ3 30 ILE QD1 5.50 (# 2809:25 Preassigned 2.53, 3.21 A)
&rst
ixpk= 2809, nxpk= 25, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 445, 446, 447,
&end
#
# 51 VAL HN 50 GLU HG- 5.50 (# 2810:25 Preassigned 1.93, 2.69 A)
&rst
ixpk= 2810, nxpk= 25, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 763, 764,
&end
#
# 62 GLY HN 4 SER HB2 5.50 (# 2811:25 Preassigned 4.07, 4.38 A)
&rst
ixpk= 2811, nxpk= 25, iat= 952, 38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 VAL HA 17 LYS HG- 5.50 (# 2813:25 Preassigned 3.67, 4.51 A)
&rst
ixpk= 2813, nxpk= 25, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 48 VAL QG1 16 VAL HB 5.50 (# 2848:25 Preassigned 2.32, 3.48 A)
&rst
ixpk= 2848, nxpk= 25, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 724, 725, 726,
&end
#
# 0 AMB 25-3:2849 15 VAL HB 2.80 (# 2849:25 Single Ambig)
&rst
ixpk= 2849, nxpk= 25, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 237, 238, 239, 781, 782, 783,1015,1016,1017,1019,
1020,1021,1015,1016,1017,1019,1020,1021,
&end
#
# 48 VAL QG2 16 VAL HB 4.50 (# 2850:25 Preassigned 2.21, 3.35 A)
&rst
ixpk= 2850, nxpk= 25, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 728, 729, 730,
&end
#
# 16 VAL QG1 16 VAL HB 3.50 (# 2851:25 Preassigned 2.41, 2.64 A)
&rst
ixpk= 2851, nxpk= 25, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 233, 234, 235,
&end
#
# 20 ASP HB2 16 VAL HB 5.50 (# 2852:25 Preassigned 3.89, 4.24 A)
&rst
ixpk= 2852, nxpk= 25, iat= 286, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HB3 16 VAL HB 4.50 (# 2853:25 Preassigned 3.18, 3.31 A)
&rst
ixpk= 2853, nxpk= 25, iat= 287, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL HA 16 VAL HB 4.50 (# 2854:25 Preassigned 2.47, 2.49 A)
&rst
ixpk= 2854, nxpk= 25, iat= 229, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL HN 16 VAL HB 5.50 (# 2855:25 Preassigned 3.59, 3.70 A)
&rst
ixpk= 2855, nxpk= 25, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HN 16 VAL HB 5.50 (# 2856:25 Preassigned 4.79, 5.00 A)
&rst
ixpk= 2856, nxpk= 25, iat= 282, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LYS HN 16 VAL HB 3.50 (# 2857:25 Preassigned 2.23, 2.36 A)
&rst
ixpk= 2857, nxpk= 25, iat= 243, 231, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 LEU QD- 57 ASP HB3 5.50 (# 2858:25 Preassigned 2.56, 5.59 A)
&rst
ixpk= 2858, nxpk= 25, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU QD+ 57 ASP HB2 5.50 (# 2859:25 Preassigned 3.77, 6.93 A)
&rst
ixpk= 2859, nxpk= 25, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:2860 0 AMB 25-1:2860 5.50 (# 2860:25 Double Ambig)
&rst
ixpk= 2860, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 724, 725, 726, 917, 918, 919,
igr2= 286, 120,
&end
#
# 0 AMB 25-3:2861 0 AMB 25-1:2861 5.50 (# 2861:25 Double Ambig)
&rst
ixpk= 2861, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 724, 725, 726, 917, 918, 919,
igr2= 287, 964,
&end
#
# 47 ILE QD1 47 ILE HG1+ 3.50 (# 2862:25 Preassigned 2.40, 2.66 A)
&rst
ixpk= 2862, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 712, 713, 714,
igr2= 709, 710,
&end
#
# 47 ILE QG2 47 ILE HG1+ 4.50 (# 2863:25 Preassigned 2.38, 3.53 A)
&rst
ixpk= 2863, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 705, 706, 707,
igr2= 709, 710,
&end
#
# 0 AMB 25-3:2864 0 AMB 25-1:2864 4.50 (# 2864:25 Double Ambig)
&rst
ixpk= 2864, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 701, 296,
igr2= 709, 710, 709, 710,
&end
#
# 47 ILE HN 47 ILE HG1+ 4.50 (# 2865:25 Preassigned 2.56, 3.33 A)
&rst
ixpk= 2865, nxpk= 25, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 709, 710,
&end
#
# 47 ILE HB 47 ILE HG1+ 3.50 (# 2866:25 Preassigned 2.38, 2.44 A)
&rst
ixpk= 2866, nxpk= 25, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 709, 710,
&end
#
# 0 AMB 25-3:2867 0 AMB 25-1:2867 5.50 (# 2867:25 Double Ambig)
&rst
ixpk= 2867, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 718, 311,
igr2= 709, 710, 709, 710,
&end
#
# 44 ARG HN 43 ASP HB2 5.50 (# 2868:25 Preassigned 4.18, 4.21 A)
&rst
ixpk= 2868, nxpk= 25, iat= 657, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ASP HN 54 LYS QB 5.50 (# 2869:25 Preassigned 5.06, 5.54 A)
&rst
ixpk= 2869, nxpk= 25, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 835, 836,
&end
#
# 55 GLU HA 54 LYS QB 5.50 (# 2870:25 Preassigned 4.80, 5.47 A)
&rst
ixpk= 2870, nxpk= 25, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 835, 836,
&end
#
# 0 AMB 25-3:2871 53 LYS QB 5.50 (# 2871:25 Single Ambig)
&rst
ixpk= 2871, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 777, 778, 779, 200, 201, 202,
igr2= 835, 836,
&end
#
# 14 VAL QG2 54 LYS QB 7.00 (# 2872:25 Preassigned 5.28, 6.29 A)
&rst
ixpk= 2872, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 204, 205, 206,
igr2= 835, 836,
&end
#
# 3 VAL QG1 3 VAL HB 3.50 (# 2875:25 Preassigned 2.45, 2.66 A)
&rst
ixpk= 2875, nxpk= 25, iat= -1, 22, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 24, 25, 26,
&end
#
# 3 VAL QG2 3 VAL HB 3.50 (# 2876:25 Preassigned 2.42, 2.66 A)
&rst
ixpk= 2876, nxpk= 25, iat= -1, 22, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 28, 29, 30,
&end
#
# 66 LEU HN 3 VAL HB 5.50 (# 2878:25 Preassigned 3.04, 3.25 A)
&rst
ixpk= 2878, nxpk= 25, iat=1006, 22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 LEU HN 3 VAL HB 5.50 (# 2879:25 Preassigned 4.30, 4.40 A)
&rst
ixpk= 2879, nxpk= 25, iat= 987, 22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2881 2 VAL HB 5.50 (# 2881:25 Single Ambig)
&rst
ixpk= 2881, nxpk= 25, iat= -1, 22, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 6,1008,
&end
#
# 20 ASP HB3 22 ILE QD1 5.50 (# 2883:25 Preassigned 5.69, 6.90 A)
&rst
ixpk= 2883, nxpk= 25, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 324, 325, 326,
&end
#
# 65 LEU HA 16 VAL QG2 7.00 (# 2886:25 Preassigned 6.35, 7.11 A)
&rst
ixpk= 2886, nxpk= 25, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 237, 238, 239,
&end
#
# 12 TRP HE1 30 ILE QG2 7.00 (# 2888:25 Preassigned 5.99, 6.51 A)
&rst
ixpk= 2888, nxpk= 25, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 438, 439, 440,
&end
#
# 20 ASP HB2 16 VAL QG2 5.50 (# 2889:25 Preassigned 5.98, 6.61 A)
&rst
ixpk= 2889, nxpk= 25, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 237, 238, 239,
&end
#
# 63 ASP HB3 59 VAL QG2 5.50 (# 2890:25 Preassigned 5.41, 5.75 A)
&rst
ixpk= 2890, nxpk= 25, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 9 GLY HA+ 59 VAL QG2 5.50 (# 2892:25 Preassigned 3.56, 4.88 A)
&rst
ixpk= 2892, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 110, 111,
igr2= 917, 918, 919,
&end
#
# 43 ASP HA 41 VAL QG2 5.50 (# 2893:25 Preassigned 4.04, 5.31 A)
&rst
ixpk= 2893, nxpk= 25, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 7 MET HN 59 VAL QG2 5.50 (# 2894:25 Preassigned 5.46, 6.30 A)
&rst
ixpk= 2894, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 26 GLN HN 41 VAL QG2 5.50 (# 2895:25 Preassigned 5.22, 6.01 A)
&rst
ixpk= 2895, nxpk= 25, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 629, 630, 631,
&end
#
# 10 ASN HA 59 VAL QG1 5.50 (# 2896:25 Preassigned 4.18, 5.17 A)
&rst
ixpk= 2896, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 913, 914, 915,
&end
#
# 53 LYS HN 59 VAL QG1 7.00 (# 2897:25 Preassigned 6.95, 7.30 A)
&rst
ixpk= 2897, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 913, 914, 915,
&end
#
# 0 AMB 25-3:2899 0 AMB 25-1:2899 5.50 (# 2899:25 Double Ambig)
&rst
ixpk= 2899, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 47, 196,
igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
1001,1002,
&end
#
# 65 LEU HA 53 LYS HG+ 5.50 (# 2900:25 Preassigned 2.43, 2.73 A)
&rst
ixpk= 2900, nxpk= 25, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 816, 817,
&end
#
# 57 ASP HB2 11 LEU QD+ 5.50 (# 2901:25 Preassigned 3.77, 6.93 A)
&rst
ixpk= 2901, nxpk= 25, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:2902 0 AMB 25-1:2902 5.50 (# 2902:25 Double Ambig)
&rst
ixpk= 2902, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 911, 198,
igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
143, 144,
&end
#
# 0 AMB 25-3:2903 64 LEU QD- 5.50 (# 2903:25 Single Ambig)
&rst
ixpk= 2903, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 47, 196,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 48 VAL HA 66 LEU QD+ 5.50 (# 2904:25 Preassigned 2.88, 4.95 A)
&rst
ixpk= 2904, nxpk= 25, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 51 VAL HA 65 LEU QD- 5.50 (# 2905:25 Preassigned 4.26, 6.38 A)
&rst
ixpk= 2905, nxpk= 25, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 25-3:2906 0 AMB 25-1:2906 5.50 (# 2906:25 Double Ambig)
&rst
ixpk= 2906, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 432, 987,
igr2= 442, 443, 55, 56, 994,
&end
#
# 0 AMB 25-3:2909 13 VAL HB 5.50 (# 2909:25 Single Ambig)
&rst
ixpk= 2909, nxpk= 25, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 426, 427, 428, 182, 183, 838, 839,
&end
#
# 0 AMB 25-3:2910 15 VAL HB 5.50 (# 2910:25 Single Ambig)
&rst
ixpk= 2910, nxpk= 25, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245, 284,
&end
#
# 53 LYS QE 53 LYS HB2 5.50 (# 2911:25 Preassigned 4.67, 4.95 A)
&rst
ixpk= 2911, nxpk= 25, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 822, 823,
&end
#
# 57 ASP HB2 53 LYS HB3 5.50 (# 2912:25 Preassigned 3.73, 4.26 A)
&rst
ixpk= 2912, nxpk= 25, iat= 879, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HB3 13 LYS HB2 5.50 (# 2913:25 Preassigned 3.66, 3.78 A)
&rst
ixpk= 2913, nxpk= 25, iat= 153, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HD2 27 GLU HG- 5.50 (# 2914:25 Preassigned 2.19, 3.12 A)
&rst
ixpk= 2914, nxpk= 25, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 398, 399,
&end
#
# 15 HID HD2 27 GLU HG+ 4.50 (# 2915:25 Preassigned 2.19, 3.12 A)
&rst
ixpk= 2915, nxpk= 25, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 398, 399,
&end
#
# 5 ILE HA 5 ILE HB 5.50 (# 2916:25 Preassigned 3.04, 3.05 A)
&rst
ixpk= 2916, nxpk= 25, iat= 47, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PRO HB- 27 GLU HG+ 5.50 (# 2917:25 Preassigned 2.62, 4.07 A)
&rst
ixpk= 2917, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 593, 594,
igr2= 398, 399,
&end
#
# 57 ASP HA 58 PHE HB2 5.50 (# 2918:25 Preassigned 4.50, 4.63 A)
&rst
ixpk= 2918, nxpk= 25, iat= 877, 891, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ASP HA 58 PHE HB3 5.50 (# 2919:25 Preassigned 4.56, 4.67 A)
&rst
ixpk= 2919, nxpk= 25, iat= 877, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE QD1 13 LYS HE+ 5.50 (# 2921:25 Preassigned 4.95, 6.97 A)
&rst
ixpk= 2921, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 445, 446, 447,
igr2= 185, 186,
&end
#
# 30 ILE QD1 13 LYS HE- 5.50 (# 2922:25 Preassigned 4.95, 6.97 A)
&rst
ixpk= 2922, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 445, 446, 447,
igr2= 185, 186,
&end
#
# 64 VAL HN 53 LYS QE 5.50 (# 2923:25 Preassigned 4.19, 4.66 A)
&rst
ixpk= 2923, nxpk= 25, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 822, 823,
&end
#
# 63 ASP HN 53 LYS QE 5.50 (# 2924:25 Preassigned 5.78, 6.36 A)
&rst
ixpk= 2924, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 822, 823,
&end
#
# 66 LEU HA 65 LEU HB2 7.00 (# 2927:25 Preassigned 5.85, 5.94 A)
&rst
ixpk= 2927, nxpk= 25, iat=1008, 991, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 55 GLU QB 56 GLY HA- 5.50 (# 2928:25 Preassigned 4.14, 4.84 A)
&rst
ixpk= 2928, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 857, 858,
igr2= 870, 871,
&end
#
# 63 ASP HN 62 GLY HA+ 4.50 (# 2929:25 Preassigned 3.32, 3.40 A)
&rst
ixpk= 2929, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 954, 955,
&end
#
# 62 GLY HN 62 GLY HA+ 3.50 (# 2930:25 Preassigned 2.30, 2.63 A)
&rst
ixpk= 2930, nxpk= 25, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 954, 955,
&end
#
# 15 HID HD2 29 ALA HA 5.50 (# 2931:25 Preassigned 2.97, 3.37 A)
&rst
ixpk= 2931, nxpk= 25, iat= 223, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL QG2 63 ASP HA 5.50 (# 2933:25 Preassigned 3.62, 4.60 A)
&rst
ixpk= 2933, nxpk= 25, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 981, 982, 983,
&end
#
# 30 ILE QG2 32 GLU HA 5.50 (# 2934:25 Preassigned 4.46, 5.27 A)
&rst
ixpk= 2934, nxpk= 25, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 438, 439, 440,
&end
#
# 38 ILE QD1 32 GLU HA 5.50 (# 2935:25 Preassigned 3.24, 4.17 A)
&rst
ixpk= 2935, nxpk= 25, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582,
&end
#
# 31 LEU HG 32 GLU HA 7.00 (# 2936:25 Preassigned 6.07, 6.17 A)
&rst
ixpk= 2936, nxpk= 25, iat= 458, 472, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:2937 31 GLU HA 5.50 (# 2937:25 Single Ambig)
&rst
ixpk= 2937, nxpk= 25, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 489, 515,
&end
#
# 31 LEU HB2 32 GLU HA 7.00 (# 2938:25 Preassigned 5.91, 5.97 A)
&rst
ixpk= 2938, nxpk= 25, iat= 455, 472, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 LYS HG+ 34 MET HA 5.50 (# 2939:25 Preassigned 3.49, 4.50 A)
&rst
ixpk= 2939, nxpk= 25, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 520, 521,
&end
#
# 26 GLN HE2- 22 ILE HA 5.50 (# 2940:25 Preassigned 2.24, 3.61 A)
&rst
ixpk= 2940, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 387,
&end
#
# 4 SER HA 5 ILE HA 5.50 (# 2941:25 Preassigned 4.38, 4.40 A)
&rst
ixpk= 2941, nxpk= 25, iat= 36, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2942 4 ILE HA 5.50 (# 2942:25 Single Ambig)
&rst
ixpk= 2942, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 39, 954, 955,
&end
#
# 6 GLN HG+ 5 ILE HA 5.50 (# 2943:25 Preassigned 3.24, 4.56 A)
&rst
ixpk= 2943, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 71, 72,
&end
#
# 0 AMB 25-3:2944 4 ILE HA 5.50 (# 2944:25 Single Ambig)
&rst
ixpk= 2944, nxpk= 25, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 138, 139, 140, 142, 143, 144, 458,
&end
#
# 0 AMB 25-3:2946 2 VAL HA 5.50 (# 2946:25 Single Ambig)
&rst
ixpk= 2946, nxpk= 25, iat= -1, 20, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 38, 39,
&end
#
# 0 AMB 25-3:2947 68 SER QB 4.50 (# 2947:25 Single Ambig)
&rst
ixpk= 2947, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1072, 701,
igr2=1063,1064,
&end
#
# 22 ILE HG1+ 45 SER HB3 5.50 (# 2948:25 Preassigned 4.63, 5.14 A)
&rst
ixpk= 2948, nxpk= 25, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 321, 322,
&end
#
# 22 ILE HG1+ 45 SER HB2 5.50 (# 2949:25 Preassigned 5.40, 5.99 A)
&rst
ixpk= 2949, nxpk= 25, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 321, 322,
&end
#
# 20 ASP HN 48 VAL HA 5.50 (# 2953:25 Preassigned 5.29, 5.43 A)
&rst
ixpk= 2953, nxpk= 25, iat= 282, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2954 47 VAL HA 5.50 (# 2954:25 Single Ambig)
&rst
ixpk= 2954, nxpk= 25, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1025, 699,
&end
#
# 19 GLY HN 48 VAL HA 5.50 (# 2955:25 Preassigned 4.66, 4.76 A)
&rst
ixpk= 2955, nxpk= 25, iat= 275, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU HN 48 VAL HA 5.50 (# 2956:25 Preassigned 5.06, 5.23 A)
&rst
ixpk= 2956, nxpk= 25, iat=1040, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 VAL QG1 66 LEU HB2 5.50 (# 2985:25 Preassigned 3.49, 4.79 A)
&rst
ixpk= 2985, nxpk= 25, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 777, 778, 779,
&end
#
# 51 VAL QG1 66 LEU HB3 5.50 (# 2986:25 Preassigned 2.48, 3.71 A)
&rst
ixpk= 2986, nxpk= 25, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 777, 778, 779,
&end
#
# 0 AMB 25-3:2987 65 LEU HB3 5.50 (# 2987:25 Single Ambig)
&rst
ixpk= 2987, nxpk= 25, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 728, 729, 730, 28, 29, 30,
&end
#
# 3 VAL QG2 66 LEU HB2 5.50 (# 2988:25 Preassigned 5.28, 6.39 A)
&rst
ixpk= 2988, nxpk= 25, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 28, 29, 30,
&end
#
# 52 LYS HN 66 LEU HB2 5.50 (# 2989:25 Preassigned 3.86, 4.30 A)
&rst
ixpk= 2989, nxpk= 25, iat= 787,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 LYS HN 66 LEU HB3 5.50 (# 2990:25 Preassigned 3.10, 3.56 A)
&rst
ixpk= 2990, nxpk= 25, iat= 787,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU QD1 44 ARG HB3 5.50 (# 2992:25 Preassigned 5.00, 5.57 A)
&rst
ixpk= 2992, nxpk= 25, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1049,1050,1051,
&end
#
# 57 ASP HN 11 LEU QD- 5.50 (# 3004:25 Preassigned 3.77, 6.01 A)
&rst
ixpk= 3004, nxpk= 25, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 38 ILE QD1 34 MET QE 5.50 (# 4000:25 Preassigned 2.31, 3.66 A)
&rst
ixpk= 4000, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 580, 581, 582,
igr2= 507, 508, 509,
&end
#
# 38 ILE HG1- 0 AMB 25-1:4001 5.50 (# 4001:25 Single Ambig)
&rst
ixpk= 4001, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 577, 578,
igr2= 507, 508, 509, 546, 547, 548,
&end
#
# 31 LEU HG 7 MET QE 5.50 (# 4002:25 Preassigned 2.30, 3.64 A)
&rst
ixpk= 4002, nxpk= 25, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 92, 93, 94,
&end
#
# 40 ILE QD1 7 MET QE 5.50 (# 4003:25 Preassigned 2.22, 3.52 A)
&rst
ixpk= 4003, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 613, 614, 615,
igr2= 92, 93, 94,
&end
#
# 38 ILE QD1 7 MET QE 4.50 (# 4004:25 Preassigned 3.17, 5.17 A)
&rst
ixpk= 4004, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 580, 581, 582,
igr2= 92, 93, 94,
&end
#
# 0 AMB 25-3:4005 6 MET QE 4.50 (# 4005:25 Single Ambig)
&rst
ixpk= 4005, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 573, 574, 575, 51, 52, 53,
igr2= 92, 93, 94,
&end
#
# 38 ILE HG1- 7 MET QE 5.50 (# 4006:25 Preassigned 3.25, 5.02 A)
&rst
ixpk= 4006, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 577, 578,
igr2= 92, 93, 94,
&end
#
# 38 ILE HG1+ 7 MET QE 5.50 (# 4007:25 Preassigned 3.25, 5.02 A)
&rst
ixpk= 4007, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 577, 578,
igr2= 92, 93, 94,
&end
#
# 40 ILE HG1+ 7 MET QE 5.50 (# 4008:25 Preassigned 3.85, 5.02 A)
&rst
ixpk= 4008, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 610, 611,
igr2= 92, 93, 94,
&end
#
# 33 SER HB3 7 MET QE 5.50 (# 4011:25 Preassigned 5.00, 6.01 A)
&rst
ixpk= 4011, nxpk= 25, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 92, 93, 94,
&end
#
# 33 SER HB2 7 MET QE 5.50 (# 4012:25 Preassigned 5.56, 6.52 A)
&rst
ixpk= 4012, nxpk= 25, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 92, 93, 94,
&end
#
# 34 MET HA 34 MET QE 5.50 (# 4013:25 Preassigned 4.65, 5.88 A)
&rst
ixpk= 4013, nxpk= 25, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 507, 508, 509,
&end
#
# 0 AMB 25-3:4014 6 MET QE 5.50 (# 4014:25 Single Ambig)
&rst
ixpk= 4014, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 83, 434,
igr2= 92, 93, 94,
&end
#
# 34 MET HG+ 34 MET QE 5.50 (# 4015:25 Preassigned 2.46, 3.52 A)
&rst
ixpk= 4015, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 503, 504,
igr2= 507, 508, 509,
&end
#
# 6 GLN HG- 7 MET QE 4.50 (# 4018:25 Unique 2.51, 5.76 A)
&rst
ixpk= 4018, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 71, 72,
igr2= 92, 93, 94,
&end
#
# 7 MET QG 7 MET QE 4.50 (# 4019:25 Preassigned 2.34, 3.40 A)
&rst
ixpk= 4019, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 88, 89,
igr2= 92, 93, 94,
&end
#
# 7 MET HB3 7 MET QE 3.50 (# 4020:25 Preassigned 3.04, 4.47 A)
&rst
ixpk= 4020, nxpk= 25, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 7 MET HB2 7 MET QE 4.50 (# 4022:25 Preassigned 2.32, 4.69 A)
&rst
ixpk= 4022, nxpk= 25, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 92, 93, 94,
&end
#
# 40 ILE HB 7 MET QE 5.50 (# 4024:25 Preassigned 6.06, 6.76 A)
&rst
ixpk= 4024, nxpk= 25, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 92, 93, 94,
&end
#
# 38 ILE HB 7 MET QE 4.50 (# 4025:25 Preassigned 2.25, 3.17 A)
&rst
ixpk= 4025, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 92, 93, 94,
&end
#
# 7 MET HB3 34 MET QE 4.50 (# 4027:25 Preassigned 3.40, 5.26 A)
&rst
ixpk= 4027, nxpk= 25, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 507, 508, 509,
&end
#
# 38 ILE HB 34 MET QE 4.50 (# 4028:25 Preassigned 4.43, 5.07 A)
&rst
ixpk= 4028, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 507, 508, 509,
&end
#
# 38 ILE HB 34 MET QE 4.50 (# 4029:25 Preassigned 4.43, 5.07 A)
&rst
ixpk= 4029, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 507, 508, 509,
&end
#
# 31 LEU HB3 34 MET QE 5.50 (# 4030:25 Preassigned 6.01, 6.75 A)
&rst
ixpk= 4030, nxpk= 25, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 507, 508, 509,
&end
#
# 36 MET HB3 36 MET QE 4.50 (# 4031:25 Preassigned 2.30, 4.21 A)
&rst
ixpk= 4031, nxpk= 25, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 546, 547, 548,
&end
#
# 7 MET QG 34 MET QE 4.50 (# 4034:25 Preassigned 2.83, 4.89 A)
&rst
ixpk= 4034, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 88, 89,
igr2= 507, 508, 509,
&end
#
# 36 MET HG- 36 MET QE 5.50 (# 4035:25 Preassigned 2.58, 3.48 A)
&rst
ixpk= 4035, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 542, 543,
igr2= 546, 547, 548,
&end
#
# 36 MET HG+ 36 MET QE 5.50 (# 4036:25 Preassigned 2.58, 3.48 A)
&rst
ixpk= 4036, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 542, 543,
igr2= 546, 547, 548,
&end
#
# 0 AMB 25-3:5000 14 HID HE1 3.50 (# 5000:25 Single Ambig)
&rst
ixpk= 5000, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 177, 182, 183,
&end
#
# 13 LYS HB2 15 HID HE1 4.50 (# 5001:25 Preassigned 2.15, 2.25 A)
&rst
ixpk= 5001, nxpk= 25, iat= 176, 220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE QD1 15 HID HE1 2.80 (# 5002:25 Preassigned 2.72, 3.77 A)
&rst
ixpk= 5002, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 445, 446, 447,
&end
#
# 13 LYS HG+ 15 HID HE1 4.50 (# 5003:25 Preassigned 3.48, 4.47 A)
&rst
ixpk= 5003, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 179, 180,
&end
#
# 0 AMB 25-3:5005 14 HID HE1 5.50 (# 5005:25 Single Ambig)
&rst
ixpk= 5005, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 434,
&end
#
# 0 AMB 25-3:5006 14 HID HE1 3.50 (# 5006:25 Single Ambig)
&rst
ixpk= 5006, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 182, 183, 442, 443,
&end
#
# 15 HID HD2 15 HID HE1 5.50 (# 5007:25 Preassigned 4.25, 4.25 A)
&rst
ixpk= 5007, nxpk= 25, iat= 223, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HG- 15 HID HE1 5.50 (# 5008:25 Preassigned 3.48, 4.47 A)
&rst
ixpk= 5008, nxpk= 25, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 179, 180,
&end
#
# 8 ALA QB 58 PHE HZ 4.50 (# 5010:25 Preassigned 4.03, 5.18 A)
&rst
ixpk= 5010, nxpk= 25, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 102, 103, 104,
&end
#
# 12 TRP HE1 12 TRP HD1 3.50 (# 5011:25 Preassigned 2.55, 2.55 A)
&rst
ixpk= 5011, nxpk= 25, iat= 158, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:5012 11 TRP HD1 5.50 (# 5012:25 Single Ambig)
&rst
ixpk= 5012, nxpk= 25, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 161, 167,
&end
#
# 37 GLU HG- 12 TRP HD1 4.50 (# 5013:25 Preassigned 3.47, 3.84 A)
&rst
ixpk= 5013, nxpk= 25, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 559, 560,
&end
#
# 30 ILE QG2 12 TRP HD1 4.50 (# 5014:25 Preassigned 4.93, 5.71 A)
&rst
ixpk= 5014, nxpk= 25, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 438, 439, 440,
&end
#
# 13 LYS HG- 12 TRP HD1 5.50 (# 5015:25 Preassigned 5.14, 6.00 A)
&rst
ixpk= 5015, nxpk= 25, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 179, 180,
&end
#
# 12 TRP HB3 12 TRP HD1 4.50 (# 5016:25 Preassigned 3.81, 3.82 A)
&rst
ixpk= 5016, nxpk= 25, iat= 153, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HB2 12 TRP HD1 5.50 (# 5017:25 Preassigned 2.27, 2.35 A)
&rst
ixpk= 5017, nxpk= 25, iat= 474, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HZ2 12 TRP HH2 2.80 (# 5019:25 Preassigned 2.49, 2.49 A)
&rst
ixpk= 5019, nxpk= 25, iat= 161, 163, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 TRP HE3 12 TRP HZ3 2.80 (# 5020:25 Preassigned 2.47, 2.48 A)
&rst
ixpk= 5020, nxpk= 25, iat= 167, 165, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:5021 11 TRP HZ3 4.50 (# 5021:25 Single Ambig)
&rst
ixpk= 5021, nxpk= 25, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 445, 446, 447, 438, 439, 440,
&end
#
# 12 TRP HB2 12 TRP HE3 5.50 (# 5023:25 Preassigned 4.03, 4.06 A)
&rst
ixpk= 5023, nxpk= 25, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HB3 12 TRP HE3 4.50 (# 5024:25 Preassigned 2.58, 2.60 A)
&rst
ixpk= 5024, nxpk= 25, iat= 153, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HB 12 TRP HE3 4.50 (# 5025:25 Preassigned 2.21, 2.27 A)
&rst
ixpk= 5025, nxpk= 25, iat= 436, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:5026 11 TRP HE3 4.50 (# 5026:25 Single Ambig)
&rst
ixpk= 5026, nxpk= 25, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 445, 446, 447, 438, 439, 440,
&end
#
# 12 TRP HZ3 12 TRP HE3 3.50 (# 5027:25 Preassigned 2.47, 2.48 A)
&rst
ixpk= 5027, nxpk= 25, iat= 165, 167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 VAL HN 15 HID HD2 5.50 (# 5028:25 Preassigned 3.26, 3.48 A)
&rst
ixpk= 5028, nxpk= 25, iat= 406, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 GLU HG- 15 HID HD2 4.50 (# 5029:25 Preassigned 2.19, 3.12 A)
&rst
ixpk= 5029, nxpk= 25, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 398, 399,
&end
#
# 27 GLU HG+ 15 HID HD2 2.80 (# 5030:25 Preassigned 2.19, 3.12 A)
&rst
ixpk= 5030, nxpk= 25, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 398, 399,
&end
#
# 29 ALA HN 15 HID HD2 5.50 (# 5031:25 Preassigned 3.19, 3.41 A)
&rst
ixpk= 5031, nxpk= 25, iat= 422, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HA 15 HID HD2 4.50 (# 5032:25 Preassigned 2.97, 3.37 A)
&rst
ixpk= 5032, nxpk= 25, iat= 424, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:5033 14 HID HD2 5.50 (# 5033:25 Single Ambig)
&rst
ixpk= 5033, nxpk= 25, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 442, 443, 426, 427, 428,
&end
#
# 28 VAL HA 15 HID HD2 3.50 (# 5035:25 Preassigned 2.58, 2.95 A)
&rst
ixpk= 5035, nxpk= 25, iat= 408, 223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 GLU HA 15 HID HD2 5.50 (# 5036:25 Preassigned 4.37, 4.56 A)
&rst
ixpk= 5036, nxpk= 25, iat= 393, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HB3 15 HID HD2 4.50 (# 5037:25 Preassigned 3.44, 3.51 A)
&rst
ixpk= 5037, nxpk= 25, iat= 215, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HB2 15 HID HD2 3.50 (# 5038:25 Preassigned 2.52, 2.54 A)
&rst
ixpk= 5038, nxpk= 25, iat= 214, 223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 GLU HB+ 15 HID HD2 4.50 (# 5039:25 Preassigned 3.17, 4.38 A)
&rst
ixpk= 5039, nxpk= 25, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 395, 396,
&end
#
# 0 AMB 25-3:5040 14 HID HD2 4.50 (# 5040:25 Single Ambig)
&rst
ixpk= 5040, nxpk= 25, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 233, 234, 235, 445, 446, 447,
&end
#
# 12 TRP HH2 12 TRP HZ2 2.80 (# 5041:25 Preassigned 2.49, 2.49 A)
&rst
ixpk= 5041, nxpk= 25, iat= 163, 161, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 TRP HE1 12 TRP HZ2 4.50 (# 5042:25 Preassigned 2.90, 2.91 A)
&rst
ixpk= 5042, nxpk= 25, iat= 158, 161, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 PHE HD 58 PHE HE 5.50 (# 5044:25 Preassigned 2.48, 3.73 A)
&rst
ixpk= 5044, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 895, 903,
igr2= 897, 901,
&end
#
# 13 LYS HG+ 12 TRP HD1 5.50 (# 5045:25 Preassigned 5.14, 6.00 A)
&rst
ixpk= 5045, nxpk= 25, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 179, 180,
&end
#
# 13 LYS HB2 12 TRP HD1 7.00 (# 5046:25 Preassigned 6.57, 6.74 A)
&rst
ixpk= 5046, nxpk= 25, iat= 176, 156, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 LYS HN 12 TRP HD1 5.50 (# 5047:25 Preassigned 5.52, 5.52 A)
&rst
ixpk= 5047, nxpk= 25, iat= 172, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HE1 15 HID HD2 5.50 (# 5050:25 Preassigned 4.25, 4.25 A)
&rst
ixpk= 5050, nxpk= 25, iat= 220, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HN 15 HID HD2 5.50 (# 5051:25 Preassigned 3.62, 3.76 A)
&rst
ixpk= 5051, nxpk= 25, iat= 210, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HE- 12 TRP HZ2 5.50 (# 5052:25 Preassigned 3.77, 4.94 A)
&rst
ixpk= 5052, nxpk= 25, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 185, 186,
&end
#
# 13 LYS HE+ 12 TRP HZ2 5.50 (# 5053:25 Preassigned 3.77, 4.94 A)
&rst
ixpk= 5053, nxpk= 25, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 185, 186,
&end
#
# 30 ILE QD1 12 TRP HH2 5.50 (# 5054:25 Preassigned 4.92, 5.39 A)
&rst
ixpk= 5054, nxpk= 25, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 445, 446, 447,
&end
#
# 12 TRP HE1 12 TRP HH2 5.50 (# 5055:25 Preassigned 5.09, 5.09 A)
&rst
ixpk= 5055, nxpk= 25, iat= 158, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 PHE HB3 58 PHE HD 5.50 (# 5056:25 Preassigned 2.38, 3.08 A)
&rst
ixpk= 5056, nxpk= 25, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 895, 903,
&end
#
# 58 PHE HB2 58 PHE HD 4.50 (# 5057:25 Preassigned 2.49, 3.09 A)
&rst
ixpk= 5057, nxpk= 25, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 895, 903,
&end
#
# 58 PHE HA 58 PHE HD 4.50 (# 5058:25 Preassigned 2.88, 3.62 A)
&rst
ixpk= 5058, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 895, 903,
&end
#
# 0 AMB 25-3:5059 57 PHE HD 5.50 (# 5059:25 Single Ambig)
&rst
ixpk= 5059, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 907, 887,
igr2= 895, 903,
&end
#
# 13 LYS HB2 12 TRP HE3 5.50 (# 5060:25 Preassigned 2.34, 2.52 A)
&rst
ixpk= 5060, nxpk= 25, iat= 176, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:5061 11 TRP HE3 5.50 (# 5061:25 Single Ambig)
&rst
ixpk= 5061, nxpk= 25, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 442, 443, 474,
&end
#
# 12 TRP HB2 12 TRP HD1 4.50 (# 5064:25 Preassigned 2.70, 2.74 A)
&rst
ixpk= 5064, nxpk= 25, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 TRP HN 12 TRP HD1 5.50 (# 5065:25 Preassigned 4.13, 4.38 A)
&rst
ixpk= 5065, nxpk= 25, iat= 148, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:0 3 VAL HN 5.50 (# 0:15 Single Ambig)
&rst
ixpk= 0, nxpk= 15, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021, 977, 978, 979,
&end
#
# 64 VAL QG2 3 VAL HN 5.50 (# 1:15 Preassigned 4.86, 6.10 A)
&rst
ixpk= 1, nxpk= 15, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 981, 982, 983,
&end
#
# 2 THR QG2 3 VAL HN 5.50 (# 2:15 Preassigned 2.57, 3.79 A)
&rst
ixpk= 2, nxpk= 15, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 10, 11, 12,
&end
#
# 67 GLU HB3 3 VAL HN 7.00 (# 3:15 Preassigned 4.92, 6.23 A)
&rst
ixpk= 3, nxpk= 15, iat=1030, 18, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 THR HB 3 VAL HN 5.50 (# 4:15 Preassigned 2.20, 3.33 A)
&rst
ixpk= 4, nxpk= 15, iat= 8, 18, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 THR HA 3 VAL HN 4.50 (# 5:15 Preassigned 2.20, 2.57 A)
&rst
ixpk= 5, nxpk= 15, iat= 6, 18, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:6 4 SER HN 5.50 (# 6:15 Single Ambig)
&rst
ixpk= 6, nxpk= 15, iat= -1, 34, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 996, 997, 998,1000,1001,1002, 606, 607, 608,
&end
#
# 3 VAL QG2 4 SER HN 4.50 (# 7:15 Preassigned 4.41, 5.05 A)
&rst
ixpk= 7, nxpk= 15, iat= -1, 34, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 28, 29, 30,
&end
#
# 3 VAL QG1 4 SER HN 4.50 (# 8:15 Preassigned 2.30, 3.29 A)
&rst
ixpk= 8, nxpk= 15, iat= -1, 34, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 24, 25, 26,
&end
#
# 65 LEU HB2 4 SER HN 5.50 (# 9:15 Preassigned 4.44, 4.87 A)
&rst
ixpk= 9, nxpk= 15, iat= 991, 34, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 VAL HB 4 SER HN 5.50 (# 10:15 Preassigned 3.59, 3.98 A)
&rst
ixpk= 10, nxpk= 15, iat= 22, 34, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:11 4 SER HN 4.50 (# 11:15 Single Ambig)
&rst
ixpk= 11, nxpk= 15, iat= -1, 34, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 38, 39,
&end
#
# 3 VAL HA 4 SER HN 2.80 (# 12:15 Preassigned 2.17, 2.26 A)
&rst
ixpk= 12, nxpk= 15, iat= 20, 34, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 SER HA 4 SER HN 4.50 (# 13:15 Preassigned 2.97, 2.97 A)
&rst
ixpk= 13, nxpk= 15, iat= 36, 34, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HN 5 ILE HN 5.50 (# 14:15 Preassigned 3.75, 3.99 A)
&rst
ixpk= 14, nxpk= 15, iat= 987, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY HN 5 ILE HN 5.50 (# 15:15 Preassigned 4.00, 4.12 A)
&rst
ixpk= 15, nxpk= 15, iat= 952, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 SER HA 5 ILE HN 3.50 (# 17:15 Preassigned 2.29, 2.32 A)
&rst
ixpk= 17, nxpk= 15, iat= 36, 45, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:18 5 ILE HN 7.00 (# 18:15 Single Ambig)
&rst
ixpk= 18, nxpk= 15, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 909, 20,
&end
#
# 5 ILE HA 5 ILE HN 4.50 (# 19:15 Preassigned 2.91, 2.93 A)
&rst
ixpk= 19, nxpk= 15, iat= 47, 45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 VAL HA 5 ILE HN 5.50 (# 20:15 Preassigned 3.64, 3.75 A)
&rst
ixpk= 20, nxpk= 15, iat= 973, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:21 5 ILE HN 3.50 (# 21:15 Single Ambig)
&rst
ixpk= 21, nxpk= 15, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 39, 38,
&end
#
# 63 ASP HB2 5 ILE HN 5.50 (# 22:15 Preassigned 5.05, 5.12 A)
&rst
ixpk= 22, nxpk= 15, iat= 963, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HB 5 ILE HN 3.50 (# 23:15 Preassigned 2.41, 2.49 A)
&rst
ixpk= 23, nxpk= 15, iat= 49, 45, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE HG1+ 5 ILE HN 4.50 (# 24:15 Preassigned 2.15, 3.07 A)
&rst
ixpk= 24, nxpk= 15, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 55, 56,
&end
#
# 5 ILE HG1- 5 ILE HN 4.50 (# 25:15 Preassigned 2.15, 3.07 A)
&rst
ixpk= 25, nxpk= 15, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 55, 56,
&end
#
# 5 ILE QG2 5 ILE HN 4.50 (# 26:15 Preassigned 4.36, 4.55 A)
&rst
ixpk= 26, nxpk= 15, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 51, 52, 53,
&end
#
# 5 ILE QD1 5 ILE HN 4.50 (# 27:15 Preassigned 2.05, 3.77 A)
&rst
ixpk= 27, nxpk= 15, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 58, 59, 60,
&end
#
# 31 LEU HG 6 GLN HN 5.50 (# 28:15 Preassigned 4.46, 4.73 A)
&rst
ixpk= 28, nxpk= 15, iat= 458, 64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE QD1 6 GLN HN 5.50 (# 29:15 Preassigned 2.73, 3.78 A)
&rst
ixpk= 29, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 613, 614, 615,
&end
#
# 5 ILE QG2 6 GLN HN 4.50 (# 30:15 Preassigned 2.28, 2.99 A)
&rst
ixpk= 30, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 51, 52, 53,
&end
#
# 5 ILE HG1- 6 GLN HN 5.50 (# 31:15 Preassigned 4.36, 5.08 A)
&rst
ixpk= 31, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 56,
&end
#
# 5 ILE HG1+ 6 GLN HN 5.50 (# 32:15 Preassigned 4.36, 5.08 A)
&rst
ixpk= 32, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 56,
&end
#
# 0 AMB 15-3:33 6 GLN HN 5.50 (# 33:15 Single Ambig)
&rst
ixpk= 33, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 49, 85,
&end
#
# 6 GLN HB- 6 GLN HN 4.50 (# 34:15 Unique 2.49, 3.29 A)
&rst
ixpk= 34, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 68, 69,
&end
#
# 0 AMB 15-3:35 6 GLN HN 4.50 (# 35:15 Single Ambig)
&rst
ixpk= 35, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 71, 72, 68, 69,
&end
#
# 6 GLN HG+ 6 GLN HN 4.50 (# 36:15 Preassigned 2.06, 3.29 A)
&rst
ixpk= 36, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 71, 72,
&end
#
# 5 ILE HA 6 GLN HN 3.50 (# 37:15 Preassigned 2.35, 2.37 A)
&rst
ixpk= 37, nxpk= 15, iat= 47, 64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLN HA 6 GLN HN 4.50 (# 38:15 Preassigned 2.97, 2.98 A)
&rst
ixpk= 38, nxpk= 15, iat= 66, 64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 MET HN 6 GLN HN 4.50 (# 39:15 Preassigned 2.26, 2.34 A)
&rst
ixpk= 39, nxpk= 15, iat= 81, 64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:40 6 GLN HN 5.50 (# 40:15 Single Ambig)
&rst
ixpk= 40, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 45, 619,
&end
#
# 0 AMB 15-3:41 7 MET HN 5.50 (# 41:15 Single Ambig)
&rst
ixpk= 41, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 458, 460, 461, 462, 464, 465, 466, 460, 461, 462,
464, 465, 466,
&end
#
# 0 AMB 15-3:42 7 MET HN 5.50 (# 42:15 Single Ambig)
&rst
ixpk= 42, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 613, 614, 615, 58, 59, 60, 606, 607, 608,
&end
#
# 5 ILE QG2 7 MET HN 3.50 (# 43:15 Preassigned 1.75, 2.91 A)
&rst
ixpk= 43, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 51, 52, 53,
&end
#
# 5 ILE HG1- 7 MET HN 5.50 (# 44:15 Preassigned 5.29, 5.63 A)
&rst
ixpk= 44, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 56,
&end
#
# 5 ILE HG1+ 7 MET HN 5.50 (# 45:15 Preassigned 5.29, 5.63 A)
&rst
ixpk= 45, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 56,
&end
#
# 7 MET HB2 7 MET HN 4.50 (# 46:15 Preassigned 2.82, 3.74 A)
&rst
ixpk= 46, nxpk= 15, iat= 85, 81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:47 7 MET HN 4.50 (# 47:15 Single Ambig)
&rst
ixpk= 47, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 86, 68, 69,
&end
#
# 0 AMB 15-3:48 7 MET HN 5.50 (# 48:15 Single Ambig)
&rst
ixpk= 48, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 944, 945, 911,
&end
#
# 61 GLU HG+ 7 MET HN 5.50 (# 49:15 Preassigned 4.23, 5.10 A)
&rst
ixpk= 49, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 944, 945,
&end
#
# 7 MET QG 7 MET HN 4.50 (# 50:15 Preassigned 2.52, 3.70 A)
&rst
ixpk= 50, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 88, 89,
&end
#
# 6 GLN HG+ 7 MET HN 5.50 (# 51:15 Preassigned 3.61, 4.73 A)
&rst
ixpk= 51, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 71, 72,
&end
#
# 0 AMB 15-3:52 7 MET HN 5.50 (# 52:15 Single Ambig)
&rst
ixpk= 52, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 71, 72, 68, 69,
&end
#
# 61 GLU HA 7 MET HN 5.50 (# 53:15 Preassigned 2.74, 2.97 A)
&rst
ixpk= 53, nxpk= 15, iat= 939, 81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HA 7 MET HN 5.50 (# 54:15 Preassigned 4.08, 4.18 A)
&rst
ixpk= 54, nxpk= 15, iat= 47, 81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLN HA 7 MET HN 4.50 (# 55:15 Preassigned 2.97, 3.21 A)
&rst
ixpk= 55, nxpk= 15, iat= 66, 81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 MET HA 7 MET HN 4.50 (# 56:15 Preassigned 2.87, 2.91 A)
&rst
ixpk= 56, nxpk= 15, iat= 83, 81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ALA HA 7 MET HN 5.50 (# 57:15 Preassigned 4.59, 4.71 A)
&rst
ixpk= 57, nxpk= 15, iat= 100, 81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLN HE2+ 7 MET HN 5.50 (# 58:15 Preassigned 4.19, 6.11 A)
&rst
ixpk= 58, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 76, 77,
&end
#
# 0 AMB 15-3:60 7 MET HN 5.50 (# 60:15 Single Ambig)
&rst
ixpk= 60, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 98, 959,
&end
#
# 62 GLY HN 7 MET HN 5.50 (# 61:15 Preassigned 4.14, 4.34 A)
&rst
ixpk= 61, nxpk= 15, iat= 952, 81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLN HN 7 MET HN 4.50 (# 62:15 Preassigned 2.26, 2.34 A)
&rst
ixpk= 62, nxpk= 15, iat= 64, 81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:63 8 ALA HN 5.50 (# 63:15 Single Ambig)
&rst
ixpk= 63, nxpk= 15, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 8 ALA QB 8 ALA HN 3.50 (# 66:15 Preassigned 2.44, 2.92 A)
&rst
ixpk= 66, nxpk= 15, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 102, 103, 104,
&end
#
# 7 MET HB2 8 ALA HN 3.50 (# 67:15 Preassigned 2.54, 2.80 A)
&rst
ixpk= 67, nxpk= 15, iat= 85, 98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 MET HB3 8 ALA HN 4.50 (# 68:15 Preassigned 2.40, 3.56 A)
&rst
ixpk= 68, nxpk= 15, iat= 86, 98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:69 8 ALA HN 5.50 (# 69:15 Single Ambig)
&rst
ixpk= 69, nxpk= 15, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 944, 945, 911,
&end
#
# 7 MET QG 8 ALA HN 5.50 (# 70:15 Preassigned 3.66, 4.38 A)
&rst
ixpk= 70, nxpk= 15, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 88, 89,
&end
#
# 61 GLU HG+ 8 ALA HN 5.50 (# 71:15 Preassigned 5.58, 6.25 A)
&rst
ixpk= 71, nxpk= 15, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 944, 945,
&end
#
# 61 GLU HA 8 ALA HN 5.50 (# 72:15 Preassigned 4.81, 5.07 A)
&rst
ixpk= 72, nxpk= 15, iat= 939, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ALA HA 8 ALA HN 4.50 (# 73:15 Preassigned 2.87, 2.93 A)
&rst
ixpk= 73, nxpk= 15, iat= 100, 98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASN HA 8 ALA HN 5.50 (# 74:15 Preassigned 4.06, 4.24 A)
&rst
ixpk= 74, nxpk= 15, iat= 925, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 MET HA 8 ALA HN 2.80 (# 75:15 Preassigned 2.32, 2.38 A)
&rst
ixpk= 75, nxpk= 15, iat= 83, 98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 MET HN 8 ALA HN 5.50 (# 76:15 Preassigned 4.29, 4.33 A)
&rst
ixpk= 76, nxpk= 15, iat= 81, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLU HN 8 ALA HN 5.50 (# 78:15 Preassigned 3.72, 4.06 A)
&rst
ixpk= 78, nxpk= 15, iat= 937, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:79 9 GLY HN 5.50 (# 79:15 Single Ambig)
&rst
ixpk= 79, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 59 VAL QG2 9 GLY HN 4.50 (# 80:15 Preassigned 2.85, 3.99 A)
&rst
ixpk= 80, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 917, 918, 919,
&end
#
# 59 VAL QG1 9 GLY HN 5.50 (# 81:15 Preassigned 5.96, 6.37 A)
&rst
ixpk= 81, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 5 ILE QG2 9 GLY HN 5.50 (# 82:15 Preassigned 4.77, 5.71 A)
&rst
ixpk= 82, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 51, 52, 53,
&end
#
# 31 LEU HB2 9 GLY HN 7.00 (# 83:15 Preassigned 6.94, 7.02 A)
&rst
ixpk= 83, nxpk= 15, iat= 455, 108, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 8 ALA QB 9 GLY HN 4.50 (# 84:15 Preassigned 2.91, 3.84 A)
&rst
ixpk= 84, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 102, 103, 104,
&end
#
# 61 GLU HB2 9 GLY HN 7.00 (# 85:15 Preassigned 6.92, 7.00 A)
&rst
ixpk= 85, nxpk= 15, iat= 941, 108, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 59 VAL HB 9 GLY HN 5.50 (# 86:15 Preassigned 4.58, 4.67 A)
&rst
ixpk= 86, nxpk= 15, iat= 911, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLY HA- 9 GLY HN 4.50 (# 87:15 Preassigned 2.78, 2.84 A)
&rst
ixpk= 87, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 110, 111,
&end
#
# 9 GLY HA+ 9 GLY HN 4.50 (# 88:15 Preassigned 2.78, 2.84 A)
&rst
ixpk= 88, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 110, 111,
&end
#
# 8 ALA HA 9 GLY HN 2.80 (# 89:15 Preassigned 2.21, 2.23 A)
&rst
ixpk= 89, nxpk= 15, iat= 100, 108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 58 PHE HA 9 GLY HN 5.50 (# 90:15 Preassigned 4.92, 4.98 A)
&rst
ixpk= 90, nxpk= 15, iat= 889, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 PHE HE 9 GLY HN 5.50 (# 91:15 Preassigned 4.17, 5.25 A)
&rst
ixpk= 91, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 897, 901,
&end
#
# 58 PHE HD 9 GLY HN 5.50 (# 92:15 Preassigned 4.51, 5.60 A)
&rst
ixpk= 92, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 895, 903,
&end
#
# 0 AMB 15-3:93 9 GLY HN 5.50 (# 93:15 Single Ambig)
&rst
ixpk= 93, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 923, 937,
&end
#
# 0 AMB 15-3:94 9 GLY HN 4.50 (# 94:15 Single Ambig)
&rst
ixpk= 94, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 907, 115,
&end
#
# 32 GLU HN 10 ASN HN 4.50 (# 95:15 Preassigned 2.73, 2.84 A)
&rst
ixpk= 95, nxpk= 15, iat= 470, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HN 10 ASN HN 5.50 (# 96:15 Preassigned 4.26, 4.32 A)
&rst
ixpk= 96, nxpk= 15, iat= 129, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLY HN 10 ASN HN 5.50 (# 97:15 Preassigned 4.25, 4.29 A)
&rst
ixpk= 97, nxpk= 15, iat= 108, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HD2- 10 ASN HN 5.50 (# 98:15 Preassigned 3.45, 4.27 A)
&rst
ixpk= 98, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 124, 125,
&end
#
# 10 ASN HD2+ 10 ASN HN 5.50 (# 99:15 Preassigned 3.45, 4.27 A)
&rst
ixpk= 99, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 124, 125,
&end
#
# 10 ASN HA 10 ASN HN 4.50 (# 100:15 Preassigned 2.98, 2.99 A)
&rst
ixpk= 100, nxpk= 15, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 SER HA 10 ASN HN 5.50 (# 102:15 Preassigned 4.32, 4.43 A)
&rst
ixpk= 102, nxpk= 15, iat= 487, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLY HA+ 10 ASN HN 3.50 (# 103:15 Preassigned 2.24, 2.61 A)
&rst
ixpk= 103, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 110, 111,
&end
#
# 9 GLY HA- 10 ASN HN 4.50 (# 104:15 Preassigned 2.24, 2.61 A)
&rst
ixpk= 104, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 110, 111,
&end
#
# 33 SER HB2 10 ASN HN 5.50 (# 105:15 Preassigned 3.38, 3.53 A)
&rst
ixpk= 105, nxpk= 15, iat= 489, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HB2 10 ASN HN 3.50 (# 106:15 Preassigned 2.62, 2.65 A)
&rst
ixpk= 106, nxpk= 15, iat= 119, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 ASN HB3 10 ASN HN 4.50 (# 107:15 Preassigned 3.67, 3.69 A)
&rst
ixpk= 107, nxpk= 15, iat= 120, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HB3 10 ASN HN 5.50 (# 108:15 Preassigned 3.28, 3.42 A)
&rst
ixpk= 108, nxpk= 15, iat= 475, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HB2 10 ASN HN 5.50 (# 110:15 Preassigned 5.55, 5.58 A)
&rst
ixpk= 110, nxpk= 15, iat= 455, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 VAL QG2 10 ASN HN 5.50 (# 111:15 Preassigned 3.75, 4.22 A)
&rst
ixpk= 111, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 917, 918, 919,
&end
#
# 0 AMB 15-3:112 9 ASN HN 4.50 (# 112:15 Single Ambig)
&rst
ixpk= 112, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 0 AMB 15-3:113 10 LEU HN 5.50 (# 113:15 Single Ambig)
&rst
ixpk= 113, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
465, 466, 460, 461, 462, 464, 465, 466,
&end
#
# 59 VAL QG2 11 LEU HN 4.50 (# 114:15 Preassigned 2.56, 3.59 A)
&rst
ixpk= 114, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 917, 918, 919,
&end
#
# 59 VAL QG1 11 LEU HN 5.50 (# 115:15 Preassigned 3.42, 4.45 A)
&rst
ixpk= 115, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 11 LEU HG 11 LEU HN 4.50 (# 116:15 Preassigned 2.90, 4.27 A)
&rst
ixpk= 116, nxpk= 15, iat= 136, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HB2 11 LEU HN 3.50 (# 117:15 Preassigned 2.13, 2.34 A)
&rst
ixpk= 117, nxpk= 15, iat= 133, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LYS HD+ 11 LEU HN 7.00 (# 118:15 Preassigned 5.31, 6.40 A)
&rst
ixpk= 118, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 819, 820,
&end
#
# 11 LEU HB3 11 LEU HN 4.50 (# 119:15 Preassigned 2.51, 2.71 A)
&rst
ixpk= 119, nxpk= 15, iat= 134, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ILE QG2 11 LEU HN 7.00 (# 121:15 Preassigned 6.26, 7.39 A)
&rst
ixpk= 121, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 51, 52, 53,
&end
#
# 10 ASN HB3 11 LEU HN 4.50 (# 122:15 Preassigned 3.02, 3.09 A)
&rst
ixpk= 122, nxpk= 15, iat= 120, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HB2 11 LEU HN 5.50 (# 124:15 Preassigned 4.22, 4.25 A)
&rst
ixpk= 124, nxpk= 15, iat= 119, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU HA 11 LEU HN 4.50 (# 128:15 Preassigned 2.87, 2.89 A)
&rst
ixpk= 128, nxpk= 15, iat= 131, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 PHE HA 11 LEU HN 4.50 (# 129:15 Preassigned 3.77, 3.87 A)
&rst
ixpk= 129, nxpk= 15, iat= 889, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HA 11 LEU HN 3.50 (# 130:15 Preassigned 2.16, 2.22 A)
&rst
ixpk= 130, nxpk= 15, iat= 117, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:132 10 LEU HN 5.50 (# 132:15 Single Ambig)
&rst
ixpk= 132, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 115, 907, 887,
&end
#
# 56 GLY HN 11 LEU HN 5.50 (# 133:15 Preassigned 3.91, 4.02 A)
&rst
ixpk= 133, nxpk= 15, iat= 868, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HN 12 TRP HN 4.50 (# 134:15 Preassigned 2.55, 2.83 A)
&rst
ixpk= 134, nxpk= 15, iat= 470, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HN 12 TRP HN 5.50 (# 135:15 Preassigned 4.19, 4.60 A)
&rst
ixpk= 135, nxpk= 15, iat= 451, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HN 12 TRP HN 5.50 (# 137:15 Preassigned 3.91, 4.54 A)
&rst
ixpk= 137, nxpk= 15, iat= 432, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HN 12 TRP HN 4.50 (# 139:15 Preassigned 2.51, 3.13 A)
&rst
ixpk= 139, nxpk= 15, iat= 172, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 TRP HE3 12 TRP HN 5.50 (# 140:15 Preassigned 5.03, 5.32 A)
&rst
ixpk= 140, nxpk= 15, iat= 167, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HA 12 TRP HN 3.50 (# 141:15 Preassigned 2.28, 2.54 A)
&rst
ixpk= 141, nxpk= 15, iat= 453, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:142 11 TRP HN 5.50 (# 142:15 Single Ambig)
&rst
ixpk= 142, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 434, 174,
&end
#
# 11 LEU HA 12 TRP HN 3.50 (# 143:15 Preassigned 2.13, 2.27 A)
&rst
ixpk= 143, nxpk= 15, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 TRP HB3 12 TRP HN 3.50 (# 144:15 Preassigned 2.56, 2.78 A)
&rst
ixpk= 144, nxpk= 15, iat= 153, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 TRP HB2 12 TRP HN 3.50 (# 145:15 Preassigned 2.16, 2.26 A)
&rst
ixpk= 145, nxpk= 15, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 GLU HB3 12 TRP HN 5.50 (# 146:15 Preassigned 3.48, 3.98 A)
&rst
ixpk= 146, nxpk= 15, iat= 475, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:147 11 TRP HN 4.50 (# 147:15 Single Ambig)
&rst
ixpk= 147, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 134, 456,
&end
#
# 0 AMB 15-3:148 11 TRP HN 4.50 (# 148:15 Single Ambig)
&rst
ixpk= 148, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 474, 133, 426, 427, 428,
&end
#
# 0 AMB 15-3:149 11 TRP HN 5.50 (# 149:15 Single Ambig)
&rst
ixpk= 149, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 136, 455,
&end
#
# 30 ILE QG2 12 TRP HN 5.50 (# 150:15 Preassigned 3.83, 5.11 A)
&rst
ixpk= 150, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 438, 439, 440,
&end
#
# 11 LEU QD+ 12 TRP HN 4.50 (# 151:15 Preassigned 3.08, 5.46 A)
&rst
ixpk= 151, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 15-3:152 11 TRP HN 4.50 (# 152:15 Single Ambig)
&rst
ixpk= 152, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
465, 466, 460, 461, 462, 464, 465, 466,
&end
#
# 14 VAL HN 13 LYS HN 5.50 (# 153:15 Preassigned 4.34, 4.36 A)
&rst
ixpk= 153, nxpk= 15, iat= 194, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HN 13 LYS HN 3.50 (# 154:15 Preassigned 2.67, 2.72 A)
&rst
ixpk= 154, nxpk= 15, iat= 432, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 TRP HN 13 LYS HN 3.50 (# 155:15 Preassigned 2.51, 3.13 A)
&rst
ixpk= 155, nxpk= 15, iat= 148, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 HID HE1 13 LYS HN 4.50 (# 156:15 Preassigned 4.56, 4.57 A)
&rst
ixpk= 156, nxpk= 15, iat= 220, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 TRP HD1 13 LYS HN 5.50 (# 157:15 Preassigned 5.52, 5.52 A)
&rst
ixpk= 157, nxpk= 15, iat= 156, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HA 13 LYS HN 4.50 (# 158:15 Preassigned 3.60, 3.62 A)
&rst
ixpk= 158, nxpk= 15, iat= 150, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HA 13 LYS HN 4.50 (# 159:15 Preassigned 2.91, 2.92 A)
&rst
ixpk= 159, nxpk= 15, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HA 13 LYS HN 5.50 (# 160:15 Preassigned 3.96, 4.24 A)
&rst
ixpk= 160, nxpk= 15, iat= 131, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HA 13 LYS HN 5.50 (# 161:15 Preassigned 4.54, 4.64 A)
&rst
ixpk= 161, nxpk= 15, iat= 424, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HB2 13 LYS HN 4.50 (# 162:15 Preassigned 3.59, 3.62 A)
&rst
ixpk= 162, nxpk= 15, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 TRP HB3 13 LYS HN 3.50 (# 163:15 Preassigned 2.23, 2.27 A)
&rst
ixpk= 163, nxpk= 15, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:164 12 LYS HN 5.50 (# 164:15 Single Ambig)
&rst
ixpk= 164, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 860, 861, 185, 186,
&end
#
# 0 AMB 15-3:165 12 LYS HN 5.50 (# 165:15 Single Ambig)
&rst
ixpk= 165, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 860, 861, 559, 560,
&end
#
# 30 ILE HB 13 LYS HN 4.50 (# 166:15 Preassigned 2.63, 2.72 A)
&rst
ixpk= 166, nxpk= 15, iat= 436, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:167 12 LYS HN 5.50 (# 167:15 Single Ambig)
&rst
ixpk= 167, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 426, 427, 428, 182, 183, 442, 443,
&end
#
# 13 LYS HB3 13 LYS HN 5.50 (# 168:15 Preassigned 3.84, 3.87 A)
&rst
ixpk= 168, nxpk= 15, iat= 177, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HB2 13 LYS HN 4.50 (# 169:15 Preassigned 2.78, 2.85 A)
&rst
ixpk= 169, nxpk= 15, iat= 176, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:170 12 LYS HN 5.50 (# 170:15 Single Ambig)
&rst
ixpk= 170, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 438, 439, 440, 445, 446, 447,
&end
#
# 13 LYS HG+ 13 LYS HN 5.50 (# 171:15 Preassigned 3.53, 4.02 A)
&rst
ixpk= 171, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 179, 180,
&end
#
# 13 LYS HG- 13 LYS HN 5.50 (# 172:15 Preassigned 3.53, 4.02 A)
&rst
ixpk= 172, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 179, 180,
&end
#
# 11 LEU QD+ 13 LYS HN 5.50 (# 173:15 Preassigned 3.83, 5.70 A)
&rst
ixpk= 173, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU QD- 13 LYS HN 5.50 (# 174:15 Preassigned 3.83, 5.70 A)
&rst
ixpk= 174, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 14 VAL QG2 14 VAL HN 4.50 (# 177:15 Preassigned 3.08, 3.89 A)
&rst
ixpk= 177, nxpk= 15, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 204, 205, 206,
&end
#
# 0 AMB 15-3:178 13 VAL HN 4.50 (# 178:15 Single Ambig)
&rst
ixpk= 178, nxpk= 15, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 176, 200, 201, 202,
&end
#
# 0 AMB 15-3:179 13 VAL HN 4.50 (# 179:15 Single Ambig)
&rst
ixpk= 179, nxpk= 15, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 177, 182, 183,
&end
#
# 0 AMB 15-3:180 13 VAL HN 5.50 (# 180:15 Single Ambig)
&rst
ixpk= 180, nxpk= 15, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 182, 183, 426, 427, 428,
&end
#
# 30 ILE HB 14 VAL HN 7.00 (# 181:15 Preassigned 5.79, 5.86 A)
&rst
ixpk= 181, nxpk= 15, iat= 436, 194, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 55 GLU QB 14 VAL HN 5.50 (# 182:15 Preassigned 4.00, 4.98 A)
&rst
ixpk= 182, nxpk= 15, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 857, 858,
&end
#
# 55 GLU HG- 14 VAL HN 4.50 (# 183:15 Preassigned 2.07, 2.87 A)
&rst
ixpk= 183, nxpk= 15, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 860, 861,
&end
#
# 14 VAL HB 14 VAL HN 3.50 (# 184:15 Preassigned 2.74, 2.78 A)
&rst
ixpk= 184, nxpk= 15, iat= 198, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 GLU HG+ 14 VAL HN 4.50 (# 185:15 Preassigned 2.07, 2.87 A)
&rst
ixpk= 185, nxpk= 15, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 860, 861,
&end
#
# 14 VAL HA 14 VAL HN 4.50 (# 186:15 Preassigned 2.95, 2.95 A)
&rst
ixpk= 186, nxpk= 15, iat= 196, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HA 14 VAL HN 2.80 (# 187:15 Preassigned 2.38, 2.41 A)
&rst
ixpk= 187, nxpk= 15, iat= 174, 194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 LYS HN 14 VAL HN 5.50 (# 188:15 Preassigned 4.34, 4.36 A)
&rst
ixpk= 188, nxpk= 15, iat= 172, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HN 14 VAL HN 5.50 (# 189:15 Preassigned 4.26, 4.30 A)
&rst
ixpk= 189, nxpk= 15, iat= 210, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HN 15 HID HN 5.50 (# 190:15 Preassigned 4.26, 4.30 A)
&rst
ixpk= 190, nxpk= 15, iat= 194, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 VAL HN 15 HID HN 3.50 (# 191:15 Preassigned 2.05, 2.31 A)
&rst
ixpk= 191, nxpk= 15, iat= 227, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 HID HA 15 HID HN 4.50 (# 192:15 Preassigned 2.98, 2.99 A)
&rst
ixpk= 192, nxpk= 15, iat= 212, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL HA 15 HID HN 5.50 (# 193:15 Preassigned 3.49, 3.74 A)
&rst
ixpk= 193, nxpk= 15, iat= 408, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HA 15 HID HN 2.80 (# 195:15 Preassigned 2.23, 2.27 A)
&rst
ixpk= 195, nxpk= 15, iat= 196, 210, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 HID HB3 15 HID HN 4.50 (# 196:15 Preassigned 3.73, 3.76 A)
&rst
ixpk= 196, nxpk= 15, iat= 215, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HB2 15 HID HN 4.50 (# 197:15 Preassigned 2.71, 2.77 A)
&rst
ixpk= 197, nxpk= 15, iat= 214, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:198 14 HID HN 5.50 (# 198:15 Single Ambig)
&rst
ixpk= 198, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 410, 231, 860, 861,
&end
#
# 14 VAL HB 15 HID HN 5.50 (# 199:15 Preassigned 3.93, 4.02 A)
&rst
ixpk= 199, nxpk= 15, iat= 198, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA QB 15 HID HN 4.50 (# 200:15 Preassigned 3.52, 4.53 A)
&rst
ixpk= 200, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 426, 427, 428,
&end
#
# 14 VAL QG1 15 HID HN 4.50 (# 201:15 Preassigned 2.65, 3.24 A)
&rst
ixpk= 201, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 200, 201, 202,
&end
#
# 16 VAL QG1 15 HID HN 4.50 (# 202:15 Preassigned 3.55, 4.80 A)
&rst
ixpk= 202, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 233, 234, 235,
&end
#
# 28 VAL QG2 15 HID HN 5.50 (# 203:15 Preassigned 5.49, 6.30 A)
&rst
ixpk= 203, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 416, 417, 418,
&end
#
# 0 AMB 15-3:204 14 HID HN 4.50 (# 204:15 Single Ambig)
&rst
ixpk= 204, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 237, 238, 239, 204, 205, 206,
&end
#
# 0 AMB 15-3:205 14 HID HN 5.50 (# 205:15 Single Ambig)
&rst
ixpk= 205, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 412, 413, 414, 996, 997, 998,1000,1001,1002,
&end
#
# 16 VAL QG2 16 VAL HN 3.50 (# 206:15 Preassigned 2.03, 2.96 A)
&rst
ixpk= 206, nxpk= 15, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 237, 238, 239,
&end
#
# 16 VAL QG1 16 VAL HN 4.50 (# 207:15 Preassigned 2.48, 3.69 A)
&rst
ixpk= 207, nxpk= 15, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 233, 234, 235,
&end
#
# 14 VAL QG1 16 VAL HN 3.50 (# 208:15 Preassigned 2.07, 3.20 A)
&rst
ixpk= 208, nxpk= 15, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 200, 201, 202,
&end
#
# 17 LYS HG+ 16 VAL HN 7.00 (# 209:15 Preassigned 5.65, 6.71 A)
&rst
ixpk= 209, nxpk= 15, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 250, 251,
&end
#
# 29 ALA QB 16 VAL HN 7.00 (# 210:15 Preassigned 4.68, 6.16 A)
&rst
ixpk= 210, nxpk= 15, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 426, 427, 428,
&end
#
# 14 VAL HB 16 VAL HN 5.50 (# 211:15 Preassigned 4.01, 4.46 A)
&rst
ixpk= 211, nxpk= 15, iat= 198, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:212 15 VAL HN 4.50 (# 212:15 Single Ambig)
&rst
ixpk= 212, nxpk= 15, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 231, 410,
&end
#
# 15 HID HB2 16 VAL HN 4.50 (# 213:15 Preassigned 3.17, 3.61 A)
&rst
ixpk= 213, nxpk= 15, iat= 214, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HB3 16 VAL HN 5.50 (# 214:15 Preassigned 4.26, 4.44 A)
&rst
ixpk= 214, nxpk= 15, iat= 215, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HA 16 VAL HN 4.50 (# 215:15 Preassigned 3.99, 4.14 A)
&rst
ixpk= 215, nxpk= 15, iat= 196, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL HA 16 VAL HN 5.50 (# 216:15 Preassigned 3.86, 4.46 A)
&rst
ixpk= 216, nxpk= 15, iat= 408, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:217 15 VAL HN 4.50 (# 217:15 Single Ambig)
&rst
ixpk= 217, nxpk= 15, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 229, 212,
&end
#
# 15 HID HN 16 VAL HN 3.50 (# 218:15 Preassigned 2.05, 2.31 A)
&rst
ixpk= 218, nxpk= 15, iat= 210, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 LYS HN 16 VAL HN 5.50 (# 219:15 Preassigned 4.42, 4.54 A)
&rst
ixpk= 219, nxpk= 15, iat= 243, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 VAL QG1 17 LYS HN 5.50 (# 220:15 Preassigned 3.10, 4.33 A)
&rst
ixpk= 220, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 724, 725, 726,
&end
#
# 0 AMB 15-3:221 16 LYS HN 4.50 (# 221:15 Single Ambig)
&rst
ixpk= 221, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 781, 782, 783, 237, 238, 239,1015,1016,1017,1019,
1020,1021,
&end
#
# 48 VAL QG2 17 LYS HN 5.50 (# 222:15 Preassigned 3.31, 4.45 A)
&rst
ixpk= 222, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 16 VAL QG1 17 LYS HN 4.50 (# 223:15 Preassigned 3.66, 4.38 A)
&rst
ixpk= 223, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 233, 234, 235,
&end
#
# 0 AMB 15-3:224 16 LYS HN 7.00 (# 224:15 Single Ambig)
&rst
ixpk= 224, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 777, 778, 779, 200, 201, 202,
&end
#
# 17 LYS HG+ 17 LYS HN 5.50 (# 225:15 Preassigned 2.68, 3.06 A)
&rst
ixpk= 225, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 250, 251,
&end
#
# 17 LYS HG- 17 LYS HN 4.50 (# 226:15 Preassigned 2.68, 3.06 A)
&rst
ixpk= 226, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 250, 251,
&end
#
# 17 LYS QD 17 LYS HN 5.50 (# 227:15 Preassigned 2.61, 4.94 A)
&rst
ixpk= 227, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 253, 254,
&end
#
# 17 LYS QB 17 LYS HN 4.50 (# 228:15 Preassigned 3.47, 3.73 A)
&rst
ixpk= 228, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 247, 248,
&end
#
# 16 VAL HB 17 LYS HN 3.50 (# 229:15 Preassigned 2.23, 2.36 A)
&rst
ixpk= 229, nxpk= 15, iat= 231, 243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ASP HB2 17 LYS HN 5.50 (# 230:15 Preassigned 2.17, 2.42 A)
&rst
ixpk= 230, nxpk= 15, iat= 286, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HB3 17 LYS HN 4.50 (# 231:15 Preassigned 2.39, 2.52 A)
&rst
ixpk= 231, nxpk= 15, iat= 287, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LYS HA 17 LYS HN 4.50 (# 232:15 Preassigned 2.87, 2.88 A)
&rst
ixpk= 232, nxpk= 15, iat= 245, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL HA 17 LYS HN 2.80 (# 233:15 Preassigned 2.34, 2.37 A)
&rst
ixpk= 233, nxpk= 15, iat= 229, 243, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 VAL HN 17 LYS HN 5.50 (# 234:15 Preassigned 4.42, 4.54 A)
&rst
ixpk= 234, nxpk= 15, iat= 227, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HN 17 LYS HN 5.50 (# 235:15 Preassigned 3.48, 3.57 A)
&rst
ixpk= 235, nxpk= 15, iat= 282, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 MET HN 33 SER HN 4.50 (# 236:15 Preassigned 2.79, 2.88 A)
&rst
ixpk= 236, nxpk= 15, iat= 535, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HA 33 SER HN 2.80 (# 237:15 Preassigned 2.16, 2.19 A)
&rst
ixpk= 237, nxpk= 15, iat= 472, 485, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 LYS HA 18 ALA HN 2.80 (# 238:15 Preassigned 2.44, 2.48 A)
&rst
ixpk= 238, nxpk= 15, iat= 245, 265, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 ALA HA 18 ALA HN 4.50 (# 239:15 Preassigned 2.85, 2.86 A)
&rst
ixpk= 239, nxpk= 15, iat= 267, 265, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 SER HB3 33 SER HN 4.50 (# 240:15 Preassigned 3.24, 3.26 A)
&rst
ixpk= 240, nxpk= 15, iat= 490, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LYS QB 18 ALA HN 3.50 (# 241:15 Preassigned 2.53, 3.26 A)
&rst
ixpk= 241, nxpk= 15, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 247, 248,
&end
#
# 18 ALA QB 18 ALA HN 2.80 (# 242:15 Preassigned 2.48, 2.90 A)
&rst
ixpk= 242, nxpk= 15, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 269, 270, 271,
&end
#
# 48 VAL QG1 18 ALA HN 5.50 (# 243:15 Preassigned 4.11, 5.02 A)
&rst
ixpk= 243, nxpk= 15, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 724, 725, 726,
&end
#
# 0 AMB 15-3:244 0 AMB 15-1:244 4.50 (# 244:15 Double Ambig)
&rst
ixpk= 244, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 580, 581, 582, 781, 782, 783,
igr2= 485, 265,
&end
#
# 48 VAL QG2 18 ALA HN 5.50 (# 245:15 Unique 6.27, 7.09 A)
&rst
ixpk= 245, nxpk= 15, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 17 LYS HG- 18 ALA HN 4.50 (# 248:15 Preassigned 3.79, 4.33 A)
&rst
ixpk= 248, nxpk= 15, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 250, 251,
&end
#
# 0 AMB 15-3:249 17 ALA HN 5.50 (# 249:15 Single Ambig)
&rst
ixpk= 249, nxpk= 15, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 722, 231,
&end
#
# 0 AMB 15-3:252 32 SER HN 5.50 (# 252:15 Single Ambig)
&rst
ixpk= 252, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 110, 111, 498,
&end
#
# 16 VAL HA 18 ALA HN 7.00 (# 253:15 Preassigned 6.45, 6.51 A)
&rst
ixpk= 253, nxpk= 15, iat= 229, 265, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 15-3:254 0 AMB 15-1:254 5.50 (# 254:15 Double Ambig)
&rst
ixpk= 254, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 275, 451,
igr2= 265, 485,
&end
#
# 0 AMB 15-3:256 18 GLY HN 4.50 (# 256:15 Single Ambig)
&rst
ixpk= 256, nxpk= 15, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 705, 706, 707, 724, 725, 726,
&end
#
# 0 AMB 15-3:257 18 GLY HN 5.50 (# 257:15 Single Ambig)
&rst
ixpk= 257, nxpk= 15, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 781, 782, 783, 712, 713, 714,
&end
#
# 48 VAL QG2 19 GLY HN 5.50 (# 258:15 Preassigned 4.97, 5.47 A)
&rst
ixpk= 258, nxpk= 15, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 18 ALA QB 19 GLY HN 4.50 (# 259:15 Preassigned 3.18, 3.90 A)
&rst
ixpk= 259, nxpk= 15, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 269, 270, 271,
&end
#
# 47 ILE HG1- 19 GLY HN 7.00 (# 260:15 Preassigned 6.80, 7.26 A)
&rst
ixpk= 260, nxpk= 15, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 709, 710,
&end
#
# 48 VAL HB 19 GLY HN 4.50 (# 261:15 Preassigned 2.76, 2.95 A)
&rst
ixpk= 261, nxpk= 15, iat= 722, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HB3 19 GLY HN 5.50 (# 262:15 Preassigned 4.67, 4.83 A)
&rst
ixpk= 262, nxpk= 15, iat= 287, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HA- 19 GLY HN 3.50 (# 263:15 Preassigned 2.29, 2.63 A)
&rst
ixpk= 263, nxpk= 15, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 277, 278,
&end
#
# 18 ALA HA 19 GLY HN 2.80 (# 264:15 Preassigned 2.19, 2.21 A)
&rst
ixpk= 264, nxpk= 15, iat= 267, 275, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 GLY HA+ 19 GLY HN 4.50 (# 267:15 Preassigned 2.29, 2.63 A)
&rst
ixpk= 267, nxpk= 15, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 277, 278,
&end
#
# 49 LYS HA 19 GLY HN 5.50 (# 268:15 Preassigned 3.77, 3.92 A)
&rst
ixpk= 268, nxpk= 15, iat= 736, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HN 19 GLY HN 4.50 (# 269:15 Preassigned 2.56, 2.64 A)
&rst
ixpk= 269, nxpk= 15, iat= 282, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ALA HN 19 GLY HN 5.50 (# 270:15 Preassigned 4.60, 4.62 A)
&rst
ixpk= 270, nxpk= 15, iat= 265, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 VAL HN 19 GLY HN 5.50 (# 271:15 Preassigned 3.74, 3.86 A)
&rst
ixpk= 271, nxpk= 15, iat= 718, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HN 20 ASP HN 3.50 (# 272:15 Preassigned 2.56, 2.64 A)
&rst
ixpk= 272, nxpk= 15, iat= 275, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 VAL HN 20 ASP HN 5.50 (# 273:15 Preassigned 3.59, 3.75 A)
&rst
ixpk= 273, nxpk= 15, iat= 718, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LYS HN 20 ASP HN 5.50 (# 274:15 Preassigned 3.48, 3.57 A)
&rst
ixpk= 274, nxpk= 15, iat= 243, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLN HN 20 ASP HN 5.50 (# 275:15 Preassigned 4.59, 4.62 A)
&rst
ixpk= 275, nxpk= 15, iat= 294, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLN HA 20 ASP HN 5.50 (# 277:15 Preassigned 5.34, 5.43 A)
&rst
ixpk= 277, nxpk= 15, iat= 296, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HA 20 ASP HN 4.50 (# 278:15 Preassigned 2.90, 2.91 A)
&rst
ixpk= 278, nxpk= 15, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 GLY HA+ 20 ASP HN 4.50 (# 279:15 Preassigned 3.27, 3.38 A)
&rst
ixpk= 279, nxpk= 15, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 277, 278,
&end
#
# 19 GLY HA- 20 ASP HN 4.50 (# 280:15 Preassigned 3.27, 3.38 A)
&rst
ixpk= 280, nxpk= 15, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 277, 278,
&end
#
# 18 ALA HA 20 ASP HN 4.50 (# 281:15 Preassigned 3.32, 3.41 A)
&rst
ixpk= 281, nxpk= 15, iat= 267, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HB3 20 ASP HN 3.50 (# 282:15 Preassigned 2.54, 2.56 A)
&rst
ixpk= 282, nxpk= 15, iat= 287, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ASP HB2 20 ASP HN 4.50 (# 283:15 Preassigned 2.46, 2.51 A)
&rst
ixpk= 283, nxpk= 15, iat= 286, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 VAL HB 20 ASP HN 3.50 (# 284:15 Preassigned 2.40, 2.53 A)
&rst
ixpk= 284, nxpk= 15, iat= 722, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 LYS QB 20 ASP HN 5.50 (# 285:15 Preassigned 4.85, 5.35 A)
&rst
ixpk= 285, nxpk= 15, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 247, 248,
&end
#
# 18 ALA QB 20 ASP HN 5.50 (# 286:15 Preassigned 5.14, 5.37 A)
&rst
ixpk= 286, nxpk= 15, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 269, 270, 271,
&end
#
# 48 VAL QG2 20 ASP HN 4.50 (# 287:15 Preassigned 4.03, 4.55 A)
&rst
ixpk= 287, nxpk= 15, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 728, 729, 730,
&end
#
# 0 AMB 15-3:288 19 ASP HN 5.50 (# 288:15 Single Ambig)
&rst
ixpk= 288, nxpk= 15, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 712, 713, 714, 781, 782, 783, 237, 238, 239,
&end
#
# 0 AMB 15-3:289 19 ASP HN 4.50 (# 289:15 Single Ambig)
&rst
ixpk= 289, nxpk= 15, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 724, 725, 726, 705, 706, 707,
&end
#
# 47 ILE QG2 21 GLN HN 5.50 (# 290:15 Preassigned 5.29, 6.54 A)
&rst
ixpk= 290, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 705, 706, 707,
&end
#
# 47 ILE QD1 21 GLN HN 5.50 (# 291:15 Preassigned 4.23, 5.36 A)
&rst
ixpk= 291, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 712, 713, 714,
&end
#
# 48 VAL QG2 21 GLN HN 5.50 (# 292:15 Preassigned 4.03, 5.16 A)
&rst
ixpk= 292, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 17 LYS HG- 21 GLN HN 5.50 (# 293:15 Preassigned 5.77, 6.19 A)
&rst
ixpk= 293, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 250, 251,
&end
#
# 21 GLN QB 21 GLN HN 3.50 (# 294:15 Preassigned 2.44, 2.89 A)
&rst
ixpk= 294, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 298, 299,
&end
#
# 21 GLN HG+ 21 GLN HN 4.50 (# 295:15 Preassigned 4.32, 4.70 A)
&rst
ixpk= 295, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 301, 302,
&end
#
# 20 ASP HB2 21 GLN HN 4.50 (# 296:15 Preassigned 3.81, 3.87 A)
&rst
ixpk= 296, nxpk= 15, iat= 286, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HB3 21 GLN HN 4.50 (# 297:15 Preassigned 3.30, 3.43 A)
&rst
ixpk= 297, nxpk= 15, iat= 287, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLN HA 21 GLN HN 4.50 (# 298:15 Preassigned 2.97, 2.99 A)
&rst
ixpk= 298, nxpk= 15, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HA 21 GLN HN 2.80 (# 299:15 Preassigned 2.42, 2.49 A)
&rst
ixpk= 299, nxpk= 15, iat= 284, 294, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-3:300 20 GLN HN 5.50 (# 300:15 Single Ambig)
&rst
ixpk= 300, nxpk= 15, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 311, 718,
&end
#
# 21 GLN HN 22 ILE HN 5.50 (# 301:15 Preassigned 4.33, 4.38 A)
&rst
ixpk= 301, nxpk= 15, iat= 294, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLY HN 22 ILE HN 4.50 (# 302:15 Preassigned 2.71, 2.82 A)
&rst
ixpk= 302, nxpk= 15, iat= 692, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HA 22 ILE HN 4.50 (# 303:15 Preassigned 2.95, 2.97 A)
&rst
ixpk= 303, nxpk= 15, iat= 313, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLN HA 22 ILE HN 2.80 (# 304:15 Preassigned 2.18, 2.21 A)
&rst
ixpk= 304, nxpk= 15, iat= 296, 311, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 GLN HG+ 22 ILE HN 4.50 (# 305:15 Preassigned 2.32, 3.25 A)
&rst
ixpk= 305, nxpk= 15, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 301, 302,
&end
#
# 21 GLN QB 22 ILE HN 4.50 (# 306:15 Preassigned 3.97, 4.14 A)
&rst
ixpk= 306, nxpk= 15, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 298, 299,
&end
#
# 22 ILE HB 22 ILE HN 4.50 (# 307:15 Preassigned 3.86, 3.88 A)
&rst
ixpk= 307, nxpk= 15, iat= 315, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HG1+ 22 ILE HN 4.50 (# 309:15 Preassigned 2.33, 2.91 A)
&rst
ixpk= 309, nxpk= 15, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 321, 322,
&end
#
# 22 ILE HG1- 22 ILE HN 4.50 (# 310:15 Preassigned 2.33, 2.91 A)
&rst
ixpk= 310, nxpk= 15, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 321, 322,
&end
#
# 48 VAL QG2 22 ILE HN 5.50 (# 311:15 Preassigned 3.68, 4.67 A)
&rst
ixpk= 311, nxpk= 15, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 22 ILE QG2 22 ILE HN 4.50 (# 312:15 Preassigned 2.97, 3.79 A)
&rst
ixpk= 312, nxpk= 15, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 317, 318, 319,
&end
#
# 68 LEU QD2 22 ILE HN 5.50 (# 313:15 Preassigned 4.25, 5.22 A)
&rst
ixpk= 313, nxpk= 15, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1053,1054,1055,
&end
#
# 22 ILE QD1 22 ILE HN 5.50 (# 314:15 Preassigned 4.39, 4.86 A)
&rst
ixpk= 314, nxpk= 15, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 324, 325, 326,
&end
#
# 22 ILE QD1 23 GLU HN 5.50 (# 315:15 Preassigned 4.64, 5.29 A)
&rst
ixpk= 315, nxpk= 15, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 324, 325, 326,
&end
#
# 22 ILE QG2 23 GLU HN 4.50 (# 316:15 Preassigned 4.17, 4.70 A)
&rst
ixpk= 316, nxpk= 15, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 317, 318, 319,
&end
#
# 0 AMB 15-3:317 22 GLU HN 7.00 (# 317:15 Single Ambig)
&rst
ixpk= 317, nxpk= 15, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 416, 417, 418, 728, 729, 730,
&end
#
# 22 ILE HG1+ 23 GLU HN 5.50 (# 318:15 Preassigned 3.25, 3.97 A)
&rst
ixpk= 318, nxpk= 15, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 321, 322,
&end
#
# 22 ILE HB 23 GLU HN 3.50 (# 319:15 Preassigned 2.40, 2.48 A)
&rst
ixpk= 319, nxpk= 15, iat= 315, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 GLU HB3 23 GLU HN 4.50 (# 320:15 Preassigned 2.65, 2.69 A)
&rst
ixpk= 320, nxpk= 15, iat= 335, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 GLN HB3 23 GLU HN 3.50 (# 321:15 Preassigned 2.29, 2.50 A)
&rst
ixpk= 321, nxpk= 15, iat= 379, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLN HB2 23 GLU HN 3.50 (# 323:15 Preassigned 2.20, 2.67 A)
&rst
ixpk= 323, nxpk= 15, iat= 378, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLN HG- 23 GLU HN 5.50 (# 324:15 Preassigned 3.07, 4.42 A)
&rst
ixpk= 324, nxpk= 15, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 381, 382,
&end
#
# 23 GLU HA 23 GLU HN 4.50 (# 325:15 Preassigned 2.94, 2.95 A)
&rst
ixpk= 325, nxpk= 15, iat= 332, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:326 22 GLU HN 5.50 (# 326:15 Single Ambig)
&rst
ixpk= 326, nxpk= 15, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 376, 637,
&end
#
# 22 ILE HA 23 GLU HN 3.50 (# 327:15 Preassigned 2.35, 2.41 A)
&rst
ixpk= 327, nxpk= 15, iat= 313, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLN HE2- 23 GLU HN 5.50 (# 328:15 Preassigned 3.80, 4.55 A)
&rst
ixpk= 328, nxpk= 15, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 387,
&end
#
# 26 GLN HE2+ 23 GLU HN 5.50 (# 329:15 Preassigned 3.80, 4.55 A)
&rst
ixpk= 329, nxpk= 15, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 387,
&end
#
# 25 GLY HN 24 LYS HN 5.50 (# 330:15 Preassigned 4.55, 4.58 A)
&rst
ixpk= 330, nxpk= 15, iat= 367, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HA 24 LYS HN 2.80 (# 331:15 Preassigned 2.29, 2.31 A)
&rst
ixpk= 331, nxpk= 15, iat= 332, 345, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 ARG HA 24 LYS HN 5.50 (# 332:15 Preassigned 3.82, 3.92 A)
&rst
ixpk= 332, nxpk= 15, iat= 659, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 SER HB3 24 LYS HN 4.50 (# 335:15 Preassigned 3.49, 3.58 A)
&rst
ixpk= 335, nxpk= 15, iat= 686, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 SER HB2 24 LYS HN 4.50 (# 336:15 Preassigned 3.84, 3.91 A)
&rst
ixpk= 336, nxpk= 15, iat= 685, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LYS HA 24 LYS HN 4.50 (# 337:15 Preassigned 2.72, 2.76 A)
&rst
ixpk= 337, nxpk= 15, iat= 347, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLY HA- 24 LYS HN 5.50 (# 338:15 Preassigned 5.80, 6.18 A)
&rst
ixpk= 338, nxpk= 15, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 369, 370,
&end
#
# 0 AMB 15-3:339 23 LYS HN 4.50 (# 339:15 Single Ambig)
&rst
ixpk= 339, nxpk= 15, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 337, 338, 337, 338,
&end
#
# 23 GLU HB2 24 LYS HN 4.50 (# 340:15 Preassigned 4.13, 4.19 A)
&rst
ixpk= 340, nxpk= 15, iat= 334, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ARG HB2 24 LYS HN 5.50 (# 341:15 Preassigned 5.50, 5.53 A)
&rst
ixpk= 341, nxpk= 15, iat= 661, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HB3 24 LYS HN 3.50 (# 342:15 Preassigned 2.60, 2.64 A)
&rst
ixpk= 342, nxpk= 15, iat= 350, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LYS HB2 24 LYS HN 3.50 (# 343:15 Preassigned 2.30, 2.37 A)
&rst
ixpk= 343, nxpk= 15, iat= 349, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LYS QG 24 LYS HN 4.50 (# 344:15 Preassigned 4.29, 4.46 A)
&rst
ixpk= 344, nxpk= 15, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 352, 353,
&end
#
# 23 GLU HB3 24 LYS HN 4.50 (# 345:15 Preassigned 3.99, 4.08 A)
&rst
ixpk= 345, nxpk= 15, iat= 335, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 VAL QG1 25 GLY HN 4.50 (# 346:15 Preassigned 5.50, 6.06 A)
&rst
ixpk= 346, nxpk= 15, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 625, 626, 627,
&end
#
# 24 LYS QG 25 GLY HN 4.50 (# 347:15 Preassigned 2.88, 3.20 A)
&rst
ixpk= 347, nxpk= 15, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 352, 353,
&end
#
# 24 LYS HB2 25 GLY HN 5.50 (# 348:15 Preassigned 4.26, 4.33 A)
&rst
ixpk= 348, nxpk= 15, iat= 349, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ALA QB 25 GLY HN 4.50 (# 349:15 Preassigned 2.54, 3.77 A)
&rst
ixpk= 349, nxpk= 15, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 639, 640, 641,
&end
#
# 0 AMB 15-3:350 24 GLY HN 4.50 (# 350:15 Single Ambig)
&rst
ixpk= 350, nxpk= 15, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 350, 355, 356, 315,
&end
#
# 41 VAL HB 25 GLY HN 5.50 (# 351:15 Preassigned 3.47, 3.59 A)
&rst
ixpk= 351, nxpk= 15, iat= 623, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HA 25 GLY HN 2.80 (# 352:15 Preassigned 2.15, 2.17 A)
&rst
ixpk= 352, nxpk= 15, iat= 347, 367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 GLY HA- 25 GLY HN 3.50 (# 353:15 Preassigned 2.29, 2.62 A)
&rst
ixpk= 353, nxpk= 15, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 369, 370,
&end
#
# 0 AMB 15-3:354 24 GLY HN 5.50 (# 354:15 Single Ambig)
&rst
ixpk= 354, nxpk= 15, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 637, 376,
&end
#
# 25 GLY HA+ 25 GLY HN 4.50 (# 355:15 Preassigned 2.29, 2.62 A)
&rst
ixpk= 355, nxpk= 15, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 369, 370,
&end
#
# 0 AMB 15-3:357 24 GLY HN 5.50 (# 357:15 Single Ambig)
&rst
ixpk= 357, nxpk= 15, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 647, 683,
&end
#
# 44 ARG HN 25 GLY HN 5.50 (# 358:15 Preassigned 4.52, 4.67 A)
&rst
ixpk= 358, nxpk= 15, iat= 657, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HN 25 GLY HN 4.50 (# 359:15 Preassigned 2.67, 2.77 A)
&rst
ixpk= 359, nxpk= 15, iat= 374, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ALA HN 25 GLY HN 5.50 (# 360:15 Preassigned 3.43, 3.52 A)
&rst
ixpk= 360, nxpk= 15, iat= 635, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 GLU HN 26 GLN HN 5.50 (# 361:15 Preassigned 4.56, 4.59 A)
&rst
ixpk= 361, nxpk= 15, iat= 391, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLY HN 26 GLN HN 3.50 (# 362:15 Preassigned 2.67, 2.77 A)
&rst
ixpk= 362, nxpk= 15, iat= 367, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 ALA HN 26 GLN HN 5.50 (# 363:15 Preassigned 3.27, 3.42 A)
&rst
ixpk= 363, nxpk= 15, iat= 635, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HE2+ 26 GLN HN 5.50 (# 364:15 Preassigned 5.25, 6.03 A)
&rst
ixpk= 364, nxpk= 15, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 387,
&end
#
# 25 GLY HA+ 26 GLN HN 4.50 (# 365:15 Preassigned 3.30, 3.39 A)
&rst
ixpk= 365, nxpk= 15, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 369, 370,
&end
#
# 26 GLN HA 26 GLN HN 4.50 (# 366:15 Preassigned 2.88, 2.89 A)
&rst
ixpk= 366, nxpk= 15, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HA 26 GLN HN 7.00 (# 367:15 Preassigned 5.52, 5.80 A)
&rst
ixpk= 367, nxpk= 15, iat= 313, 374, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 25 GLY HA- 26 GLN HN 4.50 (# 369:15 Preassigned 3.30, 3.39 A)
&rst
ixpk= 369, nxpk= 15, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 369, 370,
&end
#
# 24 LYS HA 26 GLN HN 4.50 (# 370:15 Preassigned 3.55, 3.63 A)
&rst
ixpk= 370, nxpk= 15, iat= 347, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 GLN HG- 26 GLN HN 4.50 (# 371:15 Preassigned 4.27, 4.46 A)
&rst
ixpk= 371, nxpk= 15, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 381, 382,
&end
#
# 26 GLN HB2 26 GLN HN 3.50 (# 372:15 Preassigned 2.26, 2.42 A)
&rst
ixpk= 372, nxpk= 15, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLN HB3 26 GLN HN 3.50 (# 373:15 Preassigned 2.47, 2.56 A)
&rst
ixpk= 373, nxpk= 15, iat= 379, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 ALA QB 26 GLN HN 4.50 (# 374:15 Preassigned 2.68, 3.77 A)
&rst
ixpk= 374, nxpk= 15, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 639, 640, 641,
&end
#
# 24 LYS QG 26 GLN HN 5.50 (# 375:15 Preassigned 5.15, 5.43 A)
&rst
ixpk= 375, nxpk= 15, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 352, 353,
&end
#
# 28 VAL QG2 26 GLN HN 5.50 (# 376:15 Preassigned 4.81, 6.20 A)
&rst
ixpk= 376, nxpk= 15, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 416, 417, 418,
&end
#
# 41 VAL QG1 26 GLN HN 4.50 (# 377:15 Preassigned 5.03, 5.93 A)
&rst
ixpk= 377, nxpk= 15, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 625, 626, 627,
&end
#
# 41 VAL QG1 27 GLU HN 5.50 (# 378:15 Preassigned 3.24, 4.43 A)
&rst
ixpk= 378, nxpk= 15, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 625, 626, 627,
&end
#
# 28 VAL QG2 27 GLU HN 5.50 (# 379:15 Preassigned 4.73, 6.22 A)
&rst
ixpk= 379, nxpk= 15, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 416, 417, 418,
&end
#
# 23 GLU HB3 27 GLU HN 7.00 (# 380:15 Preassigned 6.69, 7.00 A)
&rst
ixpk= 380, nxpk= 15, iat= 335, 391, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 15-3:381 26 GLU HN 5.50 (# 381:15 Single Ambig)
&rst
ixpk= 381, nxpk= 15, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 623, 593, 594,
&end
#
# 27 GLU HB- 27 GLU HN 3.50 (# 382:15 Unique 2.30, 2.48 A)
&rst
ixpk= 382, nxpk= 15, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 395, 396,
&end
#
# 0 AMB 15-3:383 26 GLU HN 3.50 (# 383:15 Single Ambig)
&rst
ixpk= 383, nxpk= 15, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 395, 396, 381, 382,
&end
#
# 0 AMB 15-3:384 26 GLU HN 4.50 (# 384:15 Single Ambig)
&rst
ixpk= 384, nxpk= 15, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 381, 382, 398, 399,
&end
#
# 26 GLN HA 27 GLU HN 2.80 (# 386:15 Preassigned 2.21, 2.24 A)
&rst
ixpk= 386, nxpk= 15, iat= 376, 391, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 GLU HA 27 GLU HN 4.50 (# 387:15 Preassigned 2.82, 2.84 A)
&rst
ixpk= 387, nxpk= 15, iat= 393, 391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 GLN HE2+ 27 GLU HN 5.50 (# 389:15 Preassigned 3.59, 5.14 A)
&rst
ixpk= 389, nxpk= 15, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 387,
&end
#
# 26 GLN HN 27 GLU HN 5.50 (# 390:15 Preassigned 4.56, 4.59 A)
&rst
ixpk= 390, nxpk= 15, iat= 374, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:391 26 GLU HN 5.50 (# 391:15 Single Ambig)
&rst
ixpk= 391, nxpk= 15, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 635, 600, 619,
&end
#
# 0 AMB 15-3:392 27 VAL HN 5.50 (# 392:15 Single Ambig)
&rst
ixpk= 392, nxpk= 15, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 600, 635, 619,
&end
#
# 26 GLN HN 28 VAL HN 7.00 (# 393:15 Preassigned 6.22, 6.77 A)
&rst
ixpk= 393, nxpk= 15, iat= 374, 406, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 29 ALA HN 28 VAL HN 3.50 (# 394:15 Preassigned 1.80, 1.87 A)
&rst
ixpk= 394, nxpk= 15, iat= 422, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 VAL HA 28 VAL HN 4.50 (# 395:15 Preassigned 2.41, 2.64 A)
&rst
ixpk= 395, nxpk= 15, iat= 621, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL HA 28 VAL HN 4.50 (# 396:15 Preassigned 2.97, 2.98 A)
&rst
ixpk= 396, nxpk= 15, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HA 28 VAL HN 3.50 (# 397:15 Preassigned 2.12, 2.17 A)
&rst
ixpk= 397, nxpk= 15, iat= 393, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 GLU HG- 28 VAL HN 5.50 (# 399:15 Preassigned 2.65, 3.09 A)
&rst
ixpk= 399, nxpk= 15, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 398, 399,
&end
#
# 27 GLU HB+ 28 VAL HN 5.50 (# 400:15 Preassigned 2.99, 4.14 A)
&rst
ixpk= 400, nxpk= 15, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 395, 396,
&end
#
# 0 AMB 15-3:401 27 VAL HN 5.50 (# 401:15 Single Ambig)
&rst
ixpk= 401, nxpk= 15, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 398, 399, 395, 396,
&end
#
# 0 AMB 15-3:402 27 VAL HN 5.50 (# 402:15 Single Ambig)
&rst
ixpk= 402, nxpk= 15, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 604, 639, 640, 641,
&end
#
# 0 AMB 15-3:403 27 VAL HN 5.50 (# 403:15 Single Ambig)
&rst
ixpk= 403, nxpk= 15, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 426, 427, 428, 442, 443,
&end
#
# 28 VAL QG2 28 VAL HN 4.50 (# 404:15 Preassigned 2.12, 3.47 A)
&rst
ixpk= 404, nxpk= 15, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 416, 417, 418,
&end
#
# 0 AMB 15-3:406 27 VAL HN 3.50 (# 406:15 Single Ambig)
&rst
ixpk= 406, nxpk= 15, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 412, 413, 414, 606, 607, 608,
&end
#
# 0 AMB 15-3:407 28 ALA HN 4.50 (# 407:15 Single Ambig)
&rst
ixpk= 407, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 412, 413, 414, 606, 607, 608, 996, 997, 998,1000,
1001,1002,
&end
#
# 14 VAL QG2 29 ALA HN 5.50 (# 408:15 Preassigned 5.93, 6.96 A)
&rst
ixpk= 408, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 204, 205, 206,
&end
#
# 28 VAL QG2 29 ALA HN 4.50 (# 409:15 Preassigned 2.72, 4.28 A)
&rst
ixpk= 409, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 416, 417, 418,
&end
#
# 14 VAL QG1 29 ALA HN 5.50 (# 410:15 Preassigned 5.41, 6.60 A)
&rst
ixpk= 410, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 200, 201, 202,
&end
#
# 40 ILE HG1- 29 ALA HN 5.50 (# 411:15 Preassigned 4.67, 4.94 A)
&rst
ixpk= 411, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 610, 611,
&end
#
# 29 ALA QB 29 ALA HN 4.50 (# 412:15 Preassigned 2.97, 3.50 A)
&rst
ixpk= 412, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 426, 427, 428,
&end
#
# 40 ILE HB 29 ALA HN 4.50 (# 413:15 Preassigned 2.62, 2.74 A)
&rst
ixpk= 413, nxpk= 15, iat= 604, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HG+ 29 ALA HN 4.50 (# 414:15 Preassigned 3.13, 3.55 A)
&rst
ixpk= 414, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 398, 399,
&end
#
# 27 GLU HB+ 29 ALA HN 5.50 (# 415:15 Preassigned 3.58, 5.35 A)
&rst
ixpk= 415, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 395, 396,
&end
#
# 27 GLU HG- 29 ALA HN 4.50 (# 417:15 Preassigned 3.13, 3.55 A)
&rst
ixpk= 417, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 398, 399,
&end
#
# 29 ALA HA 29 ALA HN 4.50 (# 418:15 Preassigned 2.88, 2.90 A)
&rst
ixpk= 418, nxpk= 15, iat= 424, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HA 29 ALA HN 4.50 (# 420:15 Preassigned 3.64, 3.76 A)
&rst
ixpk= 420, nxpk= 15, iat= 393, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL HA 29 ALA HN 4.50 (# 421:15 Preassigned 3.51, 3.57 A)
&rst
ixpk= 421, nxpk= 15, iat= 408, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 VAL HA 29 ALA HN 5.50 (# 422:15 Preassigned 3.91, 4.00 A)
&rst
ixpk= 422, nxpk= 15, iat= 621, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HN 29 ALA HN 7.00 (# 423:15 Preassigned 6.90, 6.96 A)
&rst
ixpk= 423, nxpk= 15, iat= 172, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 ILE HN 29 ALA HN 4.50 (# 424:15 Preassigned 3.03, 3.10 A)
&rst
ixpk= 424, nxpk= 15, iat= 600, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HN 29 ALA HN 5.50 (# 425:15 Preassigned 4.31, 4.32 A)
&rst
ixpk= 425, nxpk= 15, iat= 432, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HN 29 ALA HN 7.00 (# 426:15 Preassigned 6.53, 6.61 A)
&rst
ixpk= 426, nxpk= 15, iat= 451, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 VAL HN 29 ALA HN 2.80 (# 427:15 Preassigned 1.80, 1.87 A)
&rst
ixpk= 427, nxpk= 15, iat= 406, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 LEU QD- 30 ILE HN 5.50 (# 428:15 Preassigned 3.29, 5.04 A)
&rst
ixpk= 428, nxpk= 15, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 40 ILE QG2 30 ILE HN 5.50 (# 429:15 Preassigned 5.61, 6.31 A)
&rst
ixpk= 429, nxpk= 15, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 606, 607, 608,
&end
#
# 13 LYS HG- 30 ILE HN 7.00 (# 430:15 Preassigned 5.62, 6.10 A)
&rst
ixpk= 430, nxpk= 15, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 179, 180,
&end
#
# 0 AMB 15-3:431 29 ILE HN 4.50 (# 431:15 Single Ambig)
&rst
ixpk= 431, nxpk= 15, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 438, 439, 440, 445, 446, 447,
&end
#
# 0 AMB 15-3:432 29 ILE HN 4.50 (# 432:15 Single Ambig)
&rst
ixpk= 432, nxpk= 15, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 176, 200, 201, 202,
&end
#
# 0 AMB 15-3:433 29 ILE HN 3.50 (# 433:15 Single Ambig)
&rst
ixpk= 433, nxpk= 15, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 426, 427, 428, 442, 443,
&end
#
# 0 AMB 15-3:434 29 ILE HN 5.50 (# 434:15 Single Ambig)
&rst
ixpk= 434, nxpk= 15, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 610, 611, 177, 455,
&end
#
# 30 ILE HB 30 ILE HN 4.50 (# 435:15 Preassigned 2.68, 2.72 A)
&rst
ixpk= 435, nxpk= 15, iat= 436, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 TRP HB3 30 ILE HN 5.50 (# 436:15 Preassigned 3.91, 3.96 A)
&rst
ixpk= 436, nxpk= 15, iat= 153, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HA 30 ILE HN 3.50 (# 437:15 Preassigned 2.52, 2.56 A)
&rst
ixpk= 437, nxpk= 15, iat= 424, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ILE HA 30 ILE HN 4.50 (# 438:15 Preassigned 2.95, 2.96 A)
&rst
ixpk= 438, nxpk= 15, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HA 30 ILE HN 5.50 (# 439:15 Preassigned 4.62, 4.70 A)
&rst
ixpk= 439, nxpk= 15, iat= 453, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HN 30 ILE HN 4.50 (# 440:15 Preassigned 2.67, 2.72 A)
&rst
ixpk= 440, nxpk= 15, iat= 172, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HN 30 ILE HN 5.50 (# 441:15 Preassigned 5.38, 5.50 A)
&rst
ixpk= 441, nxpk= 15, iat= 210, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:442 29 ILE HN 5.50 (# 442:15 Single Ambig)
&rst
ixpk= 442, nxpk= 15, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 148, 600,
&end
#
# 31 LEU HN 30 ILE HN 5.50 (# 443:15 Preassigned 4.24, 4.28 A)
&rst
ixpk= 443, nxpk= 15, iat= 451, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ILE HN 31 LEU HN 4.50 (# 444:15 Preassigned 2.72, 2.76 A)
&rst
ixpk= 444, nxpk= 15, iat= 567, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HN 31 LEU HN 5.50 (# 445:15 Preassigned 4.24, 4.28 A)
&rst
ixpk= 445, nxpk= 15, iat= 432, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:446 30 LEU HN 5.50 (# 446:15 Single Ambig)
&rst
ixpk= 446, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 148, 600,
&end
#
# 31 LEU HA 31 LEU HN 4.50 (# 447:15 Preassigned 2.98, 2.99 A)
&rst
ixpk= 447, nxpk= 15, iat= 453, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:448 30 LEU HN 4.50 (# 448:15 Single Ambig)
&rst
ixpk= 448, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 596, 554, 569,
&end
#
# 30 ILE HA 31 LEU HN 2.80 (# 449:15 Preassigned 2.19, 2.22 A)
&rst
ixpk= 449, nxpk= 15, iat= 434, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 LEU HA 31 LEU HN 5.50 (# 450:15 Preassigned 4.95, 5.09 A)
&rst
ixpk= 450, nxpk= 15, iat= 131, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ILE HB 31 LEU HN 4.50 (# 451:15 Preassigned 3.60, 3.73 A)
&rst
ixpk= 451, nxpk= 15, iat= 571, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HB3 31 LEU HN 4.50 (# 452:15 Preassigned 2.33, 2.36 A)
&rst
ixpk= 452, nxpk= 15, iat= 456, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:453 30 LEU HN 5.50 (# 453:15 Single Ambig)
&rst
ixpk= 453, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 436, 559, 560,
&end
#
# 0 AMB 15-3:455 30 LEU HN 5.50 (# 455:15 Single Ambig)
&rst
ixpk= 455, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 474, 426, 427, 428,
&end
#
# 31 LEU HB2 31 LEU HN 3.50 (# 456:15 Preassigned 2.97, 3.02 A)
&rst
ixpk= 456, nxpk= 15, iat= 455, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ILE HG1- 31 LEU HN 5.50 (# 458:15 Preassigned 4.06, 4.54 A)
&rst
ixpk= 458, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 443,
&end
#
# 30 ILE QG2 31 LEU HN 3.50 (# 459:15 Preassigned 2.60, 3.18 A)
&rst
ixpk= 459, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 438, 439, 440,
&end
#
# 40 ILE QD1 31 LEU HN 5.50 (# 461:15 Preassigned 4.02, 4.94 A)
&rst
ixpk= 461, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 613, 614, 615,
&end
#
# 0 AMB 15-3:462 30 LEU HN 5.50 (# 462:15 Single Ambig)
&rst
ixpk= 462, nxpk= 15, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 138, 139, 140, 142, 143, 144, 458,
&end
#
# 0 AMB 15-3:463 31 GLU HN 4.50 (# 463:15 Single Ambig)
&rst
ixpk= 463, nxpk= 15, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 0 AMB 15-3:464 31 GLU HN 5.50 (# 464:15 Single Ambig)
&rst
ixpk= 464, nxpk= 15, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 138, 139, 140, 142, 143, 144, 917, 918, 919,
&end
#
# 31 LEU HB2 32 GLU HN 4.50 (# 466:15 Preassigned 4.17, 4.23 A)
&rst
ixpk= 466, nxpk= 15, iat= 455, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HB2 32 GLU HN 4.50 (# 467:15 Preassigned 2.87, 2.93 A)
&rst
ixpk= 467, nxpk= 15, iat= 474, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLU HG+ 32 GLU HN 5.50 (# 468:15 Preassigned 4.35, 4.54 A)
&rst
ixpk= 468, nxpk= 15, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 31 LEU HB3 32 GLU HN 5.50 (# 469:15 Preassigned 4.26, 4.34 A)
&rst
ixpk= 469, nxpk= 15, iat= 456, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HG- 32 GLU HN 5.50 (# 470:15 Preassigned 4.35, 4.54 A)
&rst
ixpk= 470, nxpk= 15, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 32 GLU HB3 32 GLU HN 4.50 (# 471:15 Preassigned 2.45, 2.48 A)
&rst
ixpk= 471, nxpk= 15, iat= 475, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HB3 32 GLU HN 5.50 (# 472:15 Preassigned 4.58, 4.65 A)
&rst
ixpk= 472, nxpk= 15, iat= 120, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HB2 32 GLU HN 5.50 (# 473:15 Preassigned 3.93, 4.12 A)
&rst
ixpk= 473, nxpk= 15, iat= 119, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HB3 32 GLU HN 5.50 (# 474:15 Preassigned 4.31, 4.48 A)
&rst
ixpk= 474, nxpk= 15, iat= 153, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HB2 32 GLU HN 5.50 (# 475:15 Preassigned 2.95, 3.08 A)
&rst
ixpk= 475, nxpk= 15, iat= 152, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU HA 32 GLU HN 5.50 (# 476:15 Preassigned 3.21, 3.56 A)
&rst
ixpk= 476, nxpk= 15, iat= 131, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HA 32 GLU HN 5.50 (# 477:15 Preassigned 4.67, 4.71 A)
&rst
ixpk= 477, nxpk= 15, iat= 554, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HA 32 GLU HN 3.50 (# 478:15 Preassigned 2.20, 2.21 A)
&rst
ixpk= 478, nxpk= 15, iat= 453, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 GLU HA 32 GLU HN 4.50 (# 479:15 Preassigned 2.97, 2.97 A)
&rst
ixpk= 479, nxpk= 15, iat= 472, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 SER HN 32 GLU HN 5.50 (# 480:15 Preassigned 4.32, 4.37 A)
&rst
ixpk= 480, nxpk= 15, iat= 485, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HN 32 GLU HN 4.50 (# 481:15 Preassigned 2.73, 2.84 A)
&rst
ixpk= 481, nxpk= 15, iat= 115, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HN 32 GLU HN 5.50 (# 482:15 Preassigned 4.33, 4.38 A)
&rst
ixpk= 482, nxpk= 15, iat= 451, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ILE HN 33 SER HN 5.50 (# 483:15 Preassigned 4.66, 4.77 A)
&rst
ixpk= 483, nxpk= 15, iat= 567, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LYS HN 33 SER HN 5.50 (# 484:15 Preassigned 4.12, 4.28 A)
&rst
ixpk= 484, nxpk= 15, iat= 513, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HA 33 SER HN 7.00 (# 485:15 Preassigned 5.91, 5.94 A)
&rst
ixpk= 485, nxpk= 15, iat= 453, 485, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 33 SER HA 33 SER HN 4.50 (# 486:15 Preassigned 2.81, 2.83 A)
&rst
ixpk= 486, nxpk= 15, iat= 487, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 GLY HA+ 33 SER HN 5.50 (# 487:15 Preassigned 5.11, 5.51 A)
&rst
ixpk= 487, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 110, 111,
&end
#
# 36 MET HB2 33 SER HN 5.50 (# 488:15 Preassigned 4.02, 4.13 A)
&rst
ixpk= 488, nxpk= 15, iat= 539, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 MET HB3 33 SER HN 5.50 (# 489:15 Preassigned 4.96, 5.07 A)
&rst
ixpk= 489, nxpk= 15, iat= 540, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HG- 33 SER HN 5.50 (# 490:15 Preassigned 3.09, 3.40 A)
&rst
ixpk= 490, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 32 GLU HG+ 33 SER HN 4.50 (# 491:15 Preassigned 3.09, 3.40 A)
&rst
ixpk= 491, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 477, 478,
&end
#
# 0 AMB 15-3:492 32 SER HN 5.50 (# 492:15 Single Ambig)
&rst
ixpk= 492, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 474, 577, 578,
&end
#
# 0 AMB 15-3:493 32 SER HN 5.50 (# 493:15 Single Ambig)
&rst
ixpk= 493, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 34 MET QB 34 MET HN 5.50 (# 494:15 Preassigned 2.76, 3.60 A)
&rst
ixpk= 494, nxpk= 15, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 500, 501,
&end
#
# 34 MET HG- 34 MET HN 5.50 (# 495:15 Preassigned 2.53, 3.52 A)
&rst
ixpk= 495, nxpk= 15, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 503, 504,
&end
#
# 34 MET HG+ 34 MET HN 5.50 (# 496:15 Preassigned 2.53, 3.52 A)
&rst
ixpk= 496, nxpk= 15, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 503, 504,
&end
#
# 33 SER HB3 34 MET HN 5.50 (# 497:15 Preassigned 3.18, 3.33 A)
&rst
ixpk= 497, nxpk= 15, iat= 490, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 SER HB2 34 MET HN 5.50 (# 498:15 Preassigned 3.87, 3.93 A)
&rst
ixpk= 498, nxpk= 15, iat= 489, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 MET HA 34 MET HN 4.50 (# 499:15 Preassigned 2.26, 2.27 A)
&rst
ixpk= 499, nxpk= 15, iat= 498, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 SER HA 34 MET HN 4.50 (# 501:15 Preassigned 2.49, 2.52 A)
&rst
ixpk= 501, nxpk= 15, iat= 487, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HN 34 MET HN 5.50 (# 502:15 Preassigned 2.84, 2.94 A)
&rst
ixpk= 502, nxpk= 15, iat= 513, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 MET HN 35 LYS HN 5.50 (# 503:15 Preassigned 2.84, 2.94 A)
&rst
ixpk= 503, nxpk= 15, iat= 496, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 MET HN 35 LYS HN 4.50 (# 504:15 Preassigned 2.79, 2.83 A)
&rst
ixpk= 504, nxpk= 15, iat= 535, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 MET HA 35 LYS HN 5.50 (# 505:15 Preassigned 2.64, 2.81 A)
&rst
ixpk= 505, nxpk= 15, iat= 498, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LYS HA 35 LYS HN 3.50 (# 506:15 Preassigned 2.24, 2.24 A)
&rst
ixpk= 506, nxpk= 15, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 MET QB 35 LYS HN 5.50 (# 507:15 Preassigned 4.23, 4.48 A)
&rst
ixpk= 507, nxpk= 15, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 500, 501,
&end
#
# 32 GLU HG- 35 LYS HN 5.50 (# 508:15 Preassigned 4.62, 5.32 A)
&rst
ixpk= 508, nxpk= 15, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 32 GLU HG+ 35 LYS HN 5.50 (# 509:15 Preassigned 4.62, 5.32 A)
&rst
ixpk= 509, nxpk= 15, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 38 ILE QD1 36 MET HN 5.50 (# 511:15 Preassigned 3.87, 4.59 A)
&rst
ixpk= 511, nxpk= 15, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582,
&end
#
# 35 LYS HG+ 36 MET HN 5.50 (# 512:15 Preassigned 5.02, 5.25 A)
&rst
ixpk= 512, nxpk= 15, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 520, 521,
&end
#
# 0 AMB 15-3:513 35 MET HN 5.50 (# 513:15 Single Ambig)
&rst
ixpk= 513, nxpk= 15, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 477, 478, 523, 524,
&end
#
# 36 MET HB3 36 MET HN 4.50 (# 514:15 Preassigned 3.74, 3.79 A)
&rst
ixpk= 514, nxpk= 15, iat= 540, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 MET HB2 36 MET HN 3.50 (# 515:15 Preassigned 2.63, 2.69 A)
&rst
ixpk= 515, nxpk= 15, iat= 539, 535, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:516 35 MET HN 4.50 (# 516:15 Single Ambig)
&rst
ixpk= 516, nxpk= 15, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 542, 543, 503, 504,
&end
#
# 33 SER HB3 36 MET HN 5.50 (# 517:15 Preassigned 4.98, 5.04 A)
&rst
ixpk= 517, nxpk= 15, iat= 490, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LYS HA 36 MET HN 4.50 (# 518:15 Preassigned 2.81, 2.86 A)
&rst
ixpk= 518, nxpk= 15, iat= 515, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 MET HA 36 MET HN 5.50 (# 519:15 Preassigned 4.52, 4.56 A)
&rst
ixpk= 519, nxpk= 15, iat= 498, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 MET HA 36 MET HN 4.50 (# 520:15 Preassigned 2.95, 2.95 A)
&rst
ixpk= 520, nxpk= 15, iat= 537, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 SER HA 36 MET HN 5.50 (# 521:15 Preassigned 4.09, 4.26 A)
&rst
ixpk= 521, nxpk= 15, iat= 487, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HA 36 MET HN 5.50 (# 522:15 Preassigned 4.27, 4.44 A)
&rst
ixpk= 522, nxpk= 15, iat= 472, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HN 36 MET HN 5.50 (# 524:15 Preassigned 4.35, 4.36 A)
&rst
ixpk= 524, nxpk= 15, iat= 552, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 SER HN 36 MET HN 4.50 (# 525:15 Preassigned 2.79, 2.88 A)
&rst
ixpk= 525, nxpk= 15, iat= 485, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HN 36 MET HN 4.50 (# 526:15 Preassigned 2.79, 2.83 A)
&rst
ixpk= 526, nxpk= 15, iat= 513, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 ILE HN 37 GLU HN 5.50 (# 527:15 Preassigned 4.28, 4.33 A)
&rst
ixpk= 527, nxpk= 15, iat= 567, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 MET HN 37 GLU HN 5.50 (# 528:15 Preassigned 4.35, 4.36 A)
&rst
ixpk= 528, nxpk= 15, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 MET HA 37 GLU HN 2.80 (# 529:15 Preassigned 2.44, 2.51 A)
&rst
ixpk= 529, nxpk= 15, iat= 537, 552, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 MET HB2 37 GLU HN 5.50 (# 531:15 Preassigned 3.47, 3.55 A)
&rst
ixpk= 531, nxpk= 15, iat= 539, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:532 36 GLU HN 3.50 (# 532:15 Single Ambig)
&rst
ixpk= 532, nxpk= 15, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 540, 559, 560,
&end
#
# 37 GLU HB2 37 GLU HN 3.50 (# 533:15 Preassigned 2.59, 2.75 A)
&rst
ixpk= 533, nxpk= 15, iat= 556, 552, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 GLU HG- 37 GLU HN 5.50 (# 534:15 Preassigned 3.34, 4.25 A)
&rst
ixpk= 534, nxpk= 15, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 559, 560,
&end
#
# 38 ILE HG1+ 37 GLU HN 5.50 (# 535:15 Preassigned 3.80, 4.82 A)
&rst
ixpk= 535, nxpk= 15, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 577, 578,
&end
#
# 30 ILE QG2 37 GLU HN 5.50 (# 536:15 Preassigned 5.89, 6.24 A)
&rst
ixpk= 536, nxpk= 15, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 438, 439, 440,
&end
#
# 38 ILE QD1 37 GLU HN 5.50 (# 537:15 Preassigned 3.82, 4.58 A)
&rst
ixpk= 537, nxpk= 15, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582,
&end
#
# 0 AMB 15-3:538 37 ILE HN 5.50 (# 538:15 Single Ambig)
&rst
ixpk= 538, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466,
&end
#
# 38 ILE QD1 38 ILE HN 5.50 (# 539:15 Preassigned 2.45, 3.49 A)
&rst
ixpk= 539, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582,
&end
#
# 30 ILE QG2 38 ILE HN 4.50 (# 540:15 Preassigned 2.89, 3.57 A)
&rst
ixpk= 540, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 438, 439, 440,
&end
#
# 38 ILE QG2 38 ILE HN 5.50 (# 541:15 Preassigned 4.39, 4.71 A)
&rst
ixpk= 541, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 573, 574, 575,
&end
#
# 38 ILE HG1- 38 ILE HN 4.50 (# 542:15 Preassigned 3.56, 4.02 A)
&rst
ixpk= 542, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 577, 578,
&end
#
# 38 ILE HG1+ 38 ILE HN 4.50 (# 543:15 Preassigned 3.56, 4.02 A)
&rst
ixpk= 543, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 577, 578,
&end
#
# 31 LEU HB2 38 ILE HN 5.50 (# 544:15 Preassigned 4.95, 5.03 A)
&rst
ixpk= 544, nxpk= 15, iat= 455, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:545 37 ILE HN 4.50 (# 545:15 Single Ambig)
&rst
ixpk= 545, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 559, 560, 436,
&end
#
# 0 AMB 15-3:546 37 ILE HN 4.50 (# 546:15 Single Ambig)
&rst
ixpk= 546, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 557, 456,
&end
#
# 38 ILE HB 38 ILE HN 3.50 (# 547:15 Preassigned 2.64, 2.72 A)
&rst
ixpk= 547, nxpk= 15, iat= 571, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 GLU HG+ 38 ILE HN 5.50 (# 548:15 Preassigned 4.29, 4.70 A)
&rst
ixpk= 548, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 559, 560,
&end
#
# 39 PRO HD+ 38 ILE HN 5.50 (# 549:15 Preassigned 4.46, 4.81 A)
&rst
ixpk= 549, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 587, 588,
&end
#
# 30 ILE HA 38 ILE HN 5.50 (# 550:15 Preassigned 4.38, 4.43 A)
&rst
ixpk= 550, nxpk= 15, iat= 434, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:551 37 ILE HN 2.80 (# 551:15 Single Ambig)
&rst
ixpk= 551, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 554, 569,
&end
#
# 31 LEU HA 38 ILE HN 5.50 (# 552:15 Preassigned 4.70, 4.74 A)
&rst
ixpk= 552, nxpk= 15, iat= 453, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLU HA 38 ILE HN 5.50 (# 553:15 Preassigned 3.64, 3.70 A)
&rst
ixpk= 553, nxpk= 15, iat= 472, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HN 38 ILE HN 5.50 (# 554:15 Preassigned 4.28, 4.33 A)
&rst
ixpk= 554, nxpk= 15, iat= 552, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HN 38 ILE HN 4.50 (# 555:15 Preassigned 2.72, 2.76 A)
&rst
ixpk= 555, nxpk= 15, iat= 451, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LEU HN 40 ILE HN 4.50 (# 556:15 Preassigned 4.53, 4.54 A)
&rst
ixpk= 556, nxpk= 15, iat= 451, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ALA HN 40 ILE HN 4.50 (# 557:15 Preassigned 3.03, 3.10 A)
&rst
ixpk= 557, nxpk= 15, iat= 422, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 PRO HA 40 ILE HN 2.80 (# 558:15 Preassigned 2.23, 2.25 A)
&rst
ixpk= 558, nxpk= 15, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 ILE HA 40 ILE HN 4.50 (# 559:15 Preassigned 2.82, 2.89 A)
&rst
ixpk= 559, nxpk= 15, iat= 434, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ILE HA 40 ILE HN 4.50 (# 560:15 Preassigned 2.97, 2.98 A)
&rst
ixpk= 560, nxpk= 15, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ALA HA 40 ILE HN 5.50 (# 561:15 Preassigned 4.81, 4.86 A)
&rst
ixpk= 561, nxpk= 15, iat= 424, 600, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PRO HB+ 40 ILE HN 4.50 (# 562:15 Preassigned 2.93, 3.33 A)
&rst
ixpk= 562, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 593, 594,
&end
#
# 27 GLU HG- 40 ILE HN 5.50 (# 563:15 Preassigned 2.93, 3.81 A)
&rst
ixpk= 563, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 398, 399,
&end
#
# 27 GLU HG+ 40 ILE HN 5.50 (# 565:15 Preassigned 2.93, 3.81 A)
&rst
ixpk= 565, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 398, 399,
&end
#
# 0 AMB 15-3:566 39 ILE HN 5.50 (# 566:15 Single Ambig)
&rst
ixpk= 566, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 395, 396, 590, 591,
&end
#
# 39 PRO HB- 40 ILE HN 4.50 (# 567:15 Preassigned 2.93, 3.33 A)
&rst
ixpk= 567, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 593, 594,
&end
#
# 40 ILE HB 40 ILE HN 3.50 (# 568:15 Preassigned 2.52, 2.58 A)
&rst
ixpk= 568, nxpk= 15, iat= 604, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:569 39 ILE HN 5.50 (# 569:15 Single Ambig)
&rst
ixpk= 569, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 442, 443, 426, 427, 428,
&end
#
# 40 ILE QG2 40 ILE HN 4.50 (# 570:15 Preassigned 4.29, 4.64 A)
&rst
ixpk= 570, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 606, 607, 608,
&end
#
# 0 AMB 15-3:571 39 ILE HN 5.50 (# 571:15 Single Ambig)
&rst
ixpk= 571, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 438, 439, 440, 445, 446, 447,
&end
#
# 40 ILE HG1+ 40 ILE HN 4.50 (# 572:15 Preassigned 2.86, 3.60 A)
&rst
ixpk= 572, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 610, 611,
&end
#
# 40 ILE HG1- 40 ILE HN 4.50 (# 573:15 Preassigned 2.86, 3.60 A)
&rst
ixpk= 573, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 610, 611,
&end
#
# 40 ILE QG2 41 VAL HN 4.50 (# 575:15 Preassigned 2.93, 3.63 A)
&rst
ixpk= 575, nxpk= 15, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 606, 607, 608,
&end
#
# 41 VAL QG2 41 VAL HN 4.50 (# 576:15 Preassigned 2.22, 3.04 A)
&rst
ixpk= 576, nxpk= 15, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 629, 630, 631,
&end
#
# 40 ILE HG1- 41 VAL HN 5.50 (# 577:15 Preassigned 5.16, 5.38 A)
&rst
ixpk= 577, nxpk= 15, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 610, 611,
&end
#
# 40 ILE HB 41 VAL HN 5.50 (# 578:15 Preassigned 4.12, 4.22 A)
&rst
ixpk= 578, nxpk= 15, iat= 604, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HB 41 VAL HN 4.50 (# 579:15 Preassigned 3.74, 3.76 A)
&rst
ixpk= 579, nxpk= 15, iat= 623, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ILE HA 41 VAL HN 2.80 (# 580:15 Preassigned 2.13, 2.17 A)
&rst
ixpk= 580, nxpk= 15, iat= 602, 619, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 VAL HA 41 VAL HN 5.50 (# 581:15 Preassigned 2.96, 2.97 A)
&rst
ixpk= 581, nxpk= 15, iat= 621, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL HN 42 ALA HN 5.50 (# 582:15 Preassigned 3.75, 4.30 A)
&rst
ixpk= 582, nxpk= 15, iat= 406, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 GLU HN 42 ALA HN 5.50 (# 583:15 Preassigned 4.82, 4.92 A)
&rst
ixpk= 583, nxpk= 15, iat= 391, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLY HN 42 ALA HN 4.50 (# 584:15 Preassigned 3.43, 3.52 A)
&rst
ixpk= 584, nxpk= 15, iat= 367, 635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 GLN HN 42 ALA HN 5.50 (# 585:15 Preassigned 3.27, 3.42 A)
&rst
ixpk= 585, nxpk= 15, iat= 374, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HA 42 ALA HN 2.80 (# 586:15 Preassigned 2.31, 2.34 A)
&rst
ixpk= 586, nxpk= 15, iat= 621, 635, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 GLU HA 42 ALA HN 4.50 (# 587:15 Preassigned 3.78, 3.98 A)
&rst
ixpk= 587, nxpk= 15, iat= 393, 635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ASP HA 42 ALA HN 5.50 (# 588:15 Preassigned 5.50, 5.54 A)
&rst
ixpk= 588, nxpk= 15, iat= 647, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HA 42 ALA HN 7.00 (# 590:15 Preassigned 6.29, 6.38 A)
&rst
ixpk= 590, nxpk= 15, iat= 602, 635, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 25 GLY HA- 42 ALA HN 5.50 (# 591:15 Preassigned 4.06, 4.76 A)
&rst
ixpk= 591, nxpk= 15, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 369, 370,
&end
#
# 24 LYS HA 42 ALA HN 5.50 (# 592:15 Preassigned 4.63, 4.74 A)
&rst
ixpk= 592, nxpk= 15, iat= 347, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:593 41 ALA HN 5.50 (# 593:15 Single Ambig)
&rst
ixpk= 593, nxpk= 15, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 381, 382, 395, 396,
&end
#
# 26 GLN HB3 42 ALA HN 5.50 (# 594:15 Preassigned 3.53, 3.66 A)
&rst
ixpk= 594, nxpk= 15, iat= 379, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HB 42 ALA HN 4.50 (# 596:15 Preassigned 2.52, 2.61 A)
&rst
ixpk= 596, nxpk= 15, iat= 623, 635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ALA QB 42 ALA HN 3.50 (# 598:15 Preassigned 2.36, 2.82 A)
&rst
ixpk= 598, nxpk= 15, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 639, 640, 641,
&end
#
# 22 ILE HG1+ 42 ALA HN 5.50 (# 601:15 Preassigned 5.49, 6.37 A)
&rst
ixpk= 601, nxpk= 15, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 321, 322,
&end
#
# 22 ILE HG1- 42 ALA HN 5.50 (# 602:15 Preassigned 5.49, 6.37 A)
&rst
ixpk= 602, nxpk= 15, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 321, 322,
&end
#
# 28 VAL QG2 42 ALA HN 4.50 (# 603:15 Preassigned 2.34, 3.47 A)
&rst
ixpk= 603, nxpk= 15, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 416, 417, 418,
&end
#
# 41 VAL QG1 42 ALA HN 3.50 (# 604:15 Preassigned 4.07, 4.70 A)
&rst
ixpk= 604, nxpk= 15, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 625, 626, 627,
&end
#
# 28 VAL QG1 42 ALA HN 4.50 (# 605:15 Preassigned 3.12, 4.70 A)
&rst
ixpk= 605, nxpk= 15, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 412, 413, 414,
&end
#
# 22 ILE QD1 43 ASP HN 5.50 (# 606:15 Preassigned 4.62, 5.32 A)
&rst
ixpk= 606, nxpk= 15, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 324, 325, 326,
&end
#
# 0 AMB 15-3:607 42 ASP HN 5.50 (# 607:15 Single Ambig)
&rst
ixpk= 607, nxpk= 15, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 3 VAL QG2 43 ASP HN 5.50 (# 608:15 Preassigned 2.41, 3.44 A)
&rst
ixpk= 608, nxpk= 15, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 28, 29, 30,
&end
#
# 3 VAL QG1 43 ASP HN 5.50 (# 609:15 Preassigned 1.95, 2.75 A)
&rst
ixpk= 609, nxpk= 15, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 24, 25, 26,
&end
#
# 24 LYS QG 43 ASP HN 5.50 (# 610:15 Preassigned 5.19, 6.12 A)
&rst
ixpk= 610, nxpk= 15, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 352, 353,
&end
#
# 42 ALA QB 43 ASP HN 4.50 (# 611:15 Preassigned 3.42, 4.07 A)
&rst
ixpk= 611, nxpk= 15, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 639, 640, 641,
&end
#
# 43 ASP HB3 43 ASP HN 4.50 (# 612:15 Preassigned 2.32, 2.41 A)
&rst
ixpk= 612, nxpk= 15, iat= 650, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ASP HB2 43 ASP HN 5.50 (# 613:15 Preassigned 2.52, 2.60 A)
&rst
ixpk= 613, nxpk= 15, iat= 649, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ALA HA 43 ASP HN 3.50 (# 614:15 Preassigned 2.19, 2.20 A)
&rst
ixpk= 614, nxpk= 15, iat= 637, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:615 42 ASP HN 5.50 (# 615:15 Single Ambig)
&rst
ixpk= 615, nxpk= 15, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 20, 659,
&end
#
# 44 ARG HN 43 ASP HN 4.50 (# 618:15 Preassigned 2.59, 2.63 A)
&rst
ixpk= 618, nxpk= 15, iat= 657, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:619 42 ASP HN 5.50 (# 619:15 Single Ambig)
&rst
ixpk= 619, nxpk= 15, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 635, 619,
&end
#
# 43 ASP HN 44 ARG HN 4.50 (# 620:15 Preassigned 2.59, 2.63 A)
&rst
ixpk= 620, nxpk= 15, iat= 645, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ALA HN 44 ARG HN 5.50 (# 621:15 Preassigned 5.31, 5.43 A)
&rst
ixpk= 621, nxpk= 15, iat= 635, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 SER HN 44 ARG HN 5.50 (# 622:15 Preassigned 4.31, 4.33 A)
&rst
ixpk= 622, nxpk= 15, iat= 681, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HA 44 ARG HN 4.50 (# 624:15 Preassigned 3.47, 3.50 A)
&rst
ixpk= 624, nxpk= 15, iat= 647, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ARG HA 44 ARG HN 4.50 (# 625:15 Preassigned 2.87, 2.90 A)
&rst
ixpk= 625, nxpk= 15, iat= 659, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLY HA+ 44 ARG HN 7.00 (# 626:15 Preassigned 6.69, 7.17 A)
&rst
ixpk= 626, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 369, 370,
&end
#
# 42 ALA HA 44 ARG HN 5.50 (# 627:15 Preassigned 3.49, 3.61 A)
&rst
ixpk= 627, nxpk= 15, iat= 637, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HA 44 ARG HN 5.50 (# 628:15 Preassigned 3.41, 3.56 A)
&rst
ixpk= 628, nxpk= 15, iat= 347, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ARG QD 44 ARG HN 5.50 (# 629:15 Preassigned 2.19, 4.84 A)
&rst
ixpk= 629, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 667, 668,
&end
#
# 43 ASP HB2 44 ARG HN 5.50 (# 630:15 Preassigned 4.18, 4.21 A)
&rst
ixpk= 630, nxpk= 15, iat= 649, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HB3 44 ARG HN 5.50 (# 631:15 Preassigned 2.99, 3.11 A)
&rst
ixpk= 631, nxpk= 15, iat= 650, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ARG HB2 44 ARG HN 5.50 (# 632:15 Preassigned 3.93, 3.97 A)
&rst
ixpk= 632, nxpk= 15, iat= 661, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ARG HB3 44 ARG HN 4.50 (# 633:15 Unique 3.39, 3.48 A)
&rst
ixpk= 633, nxpk= 15, iat= 662, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ALA QB 44 ARG HN 3.50 (# 634:15 Preassigned 2.71, 3.73 A)
&rst
ixpk= 634, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 639, 640, 641,
&end
#
# 44 ARG HG- 44 ARG HN 5.50 (# 635:15 Preassigned 2.43, 3.09 A)
&rst
ixpk= 635, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 664, 665,
&end
#
# 24 LYS QG 44 ARG HN 5.50 (# 636:15 Preassigned 3.94, 4.96 A)
&rst
ixpk= 636, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 352, 353,
&end
#
# 3 VAL QG1 44 ARG HN 5.50 (# 637:15 Preassigned 4.17, 4.92 A)
&rst
ixpk= 637, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 24, 25, 26,
&end
#
# 3 VAL QG2 44 ARG HN 5.50 (# 638:15 Preassigned 2.96, 3.81 A)
&rst
ixpk= 638, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 28, 29, 30,
&end
#
# 66 LEU QD- 44 ARG HN 5.50 (# 639:15 Preassigned 5.58, 7.25 A)
&rst
ixpk= 639, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 15-3:640 43 ARG HN 5.50 (# 640:15 Single Ambig)
&rst
ixpk= 640, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1049,1050,1051, 324, 325, 326,
&end
#
# 68 LEU QD1 45 SER HN 5.50 (# 641:15 Preassigned 5.05, 5.76 A)
&rst
ixpk= 641, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1049,1050,1051,
&end
#
# 24 LYS QG 45 SER HN 5.50 (# 642:15 Preassigned 4.39, 5.31 A)
&rst
ixpk= 642, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 352, 353,
&end
#
# 44 ARG HG- 45 SER HN 5.50 (# 643:15 Preassigned 3.74, 4.36 A)
&rst
ixpk= 643, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 664, 665,
&end
#
# 0 AMB 15-3:644 44 SER HN 4.50 (# 644:15 Single Ambig)
&rst
ixpk= 644, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 349, 664, 665,
&end
#
# 44 ARG HB3 45 SER HN 4.50 (# 645:15 Preassigned 3.76, 3.92 A)
&rst
ixpk= 645, nxpk= 15, iat= 662, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ARG HB2 45 SER HN 4.50 (# 646:15 Preassigned 2.43, 2.66 A)
&rst
ixpk= 646, nxpk= 15, iat= 661, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ARG QD 45 SER HN 5.50 (# 647:15 Preassigned 5.07, 5.67 A)
&rst
ixpk= 647, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 667, 668,
&end
#
# 24 LYS HA 45 SER HN 5.50 (# 648:15 Preassigned 3.84, 4.09 A)
&rst
ixpk= 648, nxpk= 15, iat= 347, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 SER HB2 45 SER HN 4.50 (# 649:15 Preassigned 2.49, 2.55 A)
&rst
ixpk= 649, nxpk= 15, iat= 685, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 SER HB3 45 SER HN 4.50 (# 650:15 Preassigned 3.50, 3.53 A)
&rst
ixpk= 650, nxpk= 15, iat= 686, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ARG HA 45 SER HN 3.50 (# 651:15 Preassigned 2.34, 2.39 A)
&rst
ixpk= 651, nxpk= 15, iat= 659, 681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 SER HA 45 SER HN 4.50 (# 653:15 Preassigned 2.84, 2.88 A)
&rst
ixpk= 653, nxpk= 15, iat= 683, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ARG HN 45 SER HN 5.50 (# 655:15 Preassigned 4.31, 4.33 A)
&rst
ixpk= 655, nxpk= 15, iat= 657, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ILE HN 46 GLY HN 4.50 (# 657:15 Preassigned 2.71, 2.82 A)
&rst
ixpk= 657, nxpk= 15, iat= 311, 692, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ILE HN 46 GLY HN 5.50 (# 658:15 Preassigned 4.36, 4.39 A)
&rst
ixpk= 658, nxpk= 15, iat= 699, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLN HE2- 46 GLY HN 5.50 (# 659:15 Preassigned 2.44, 4.17 A)
&rst
ixpk= 659, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 306, 307,
&end
#
# 21 GLN HE2+ 46 GLY HN 5.50 (# 660:15 Preassigned 2.44, 4.17 A)
&rst
ixpk= 660, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 306, 307,
&end
#
# 22 ILE HA 46 GLY HN 5.50 (# 661:15 Preassigned 4.69, 4.76 A)
&rst
ixpk= 661, nxpk= 15, iat= 313, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 SER HA 46 GLY HN 3.50 (# 662:15 Preassigned 2.33, 2.39 A)
&rst
ixpk= 662, nxpk= 15, iat= 683, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 GLY HA+ 46 GLY HN 4.50 (# 663:15 Preassigned 2.70, 2.82 A)
&rst
ixpk= 663, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 694, 695,
&end
#
# 0 AMB 15-3:664 45 GLY HN 4.50 (# 664:15 Single Ambig)
&rst
ixpk= 664, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 694, 695, 686,
&end
#
# 45 SER HB2 46 GLY HN 4.50 (# 665:15 Preassigned 3.66, 3.72 A)
&rst
ixpk= 665, nxpk= 15, iat= 685, 692, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:666 45 GLY HN 5.50 (# 666:15 Single Ambig)
&rst
ixpk= 666, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 337, 338, 337, 338, 378,
&end
#
# 0 AMB 15-3:667 45 GLY HN 5.50 (# 667:15 Single Ambig)
&rst
ixpk= 667, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 334, 298, 299,
&end
#
# 22 ILE HB 46 GLY HN 5.50 (# 668:15 Preassigned 4.75, 4.90 A)
&rst
ixpk= 668, nxpk= 15, iat= 315, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:669 45 GLY HN 5.50 (# 669:15 Single Ambig)
&rst
ixpk= 669, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 664, 665, 709, 710, 349,
&end
#
# 22 ILE HG1+ 46 GLY HN 4.50 (# 670:15 Preassigned 2.78, 3.04 A)
&rst
ixpk= 670, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 321, 322,
&end
#
# 22 ILE HG1- 46 GLY HN 4.50 (# 671:15 Preassigned 2.78, 3.04 A)
&rst
ixpk= 671, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 321, 322,
&end
#
# 22 ILE QG2 46 GLY HN 5.50 (# 673:15 Preassigned 5.11, 5.81 A)
&rst
ixpk= 673, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 317, 318, 319,
&end
#
# 22 ILE QD1 46 GLY HN 5.50 (# 674:15 Preassigned 4.43, 5.17 A)
&rst
ixpk= 674, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 324, 325, 326,
&end
#
# 68 LEU QD2 46 GLY HN 5.50 (# 675:15 Preassigned 3.85, 5.14 A)
&rst
ixpk= 675, nxpk= 15, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1053,1054,1055,
&end
#
# 68 LEU QD2 0 AMB 15-1:676 5.50 (# 676:15 Single Ambig)
&rst
ixpk= 676, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1053,1054,1055,
igr2= 699,1025,
&end
#
# 0 AMB 15-3:677 0 AMB 15-1:677 4.50 (# 677:15 Double Ambig)
&rst
ixpk= 677, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 724, 725, 726, 705, 706, 707,
igr2=1025, 699,
&end
#
# 0 AMB 15-3:678 0 AMB 15-1:678 4.50 (# 678:15 Double Ambig)
&rst
ixpk= 678, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021, 712, 713, 714,
igr2=1025, 699,
&end
#
# 48 VAL QG2 0 AMB 15-1:679 5.50 (# 679:15 Single Ambig)
&rst
ixpk= 679, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 728, 729, 730,
igr2=1025, 699,
&end
#
# 47 ILE HG1- 47 ILE HN 4.50 (# 680:15 Preassigned 2.56, 3.33 A)
&rst
ixpk= 680, nxpk= 15, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 709, 710,
&end
#
# 0 AMB 15-3:681 66 GLU HN 5.50 (# 681:15 Single Ambig)
&rst
ixpk= 681, nxpk= 15, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 794, 795, 10, 11, 12,
&end
#
# 0 AMB 15-3:682 0 AMB 15-1:682 4.50 (# 682:15 Double Ambig)
&rst
ixpk= 682, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 709, 710,1013, 797, 798,
igr2= 699,1025,
&end
#
# 0 AMB 15-3:683 46 ILE HN 3.50 (# 683:15 Single Ambig)
&rst
ixpk= 683, nxpk= 15, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 703,1045,
&end
#
# 0 AMB 15-3:684 66 GLU HN 3.50 (# 684:15 Single Ambig)
&rst
ixpk= 684, nxpk= 15, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1010,1030,
&end
#
# 0 AMB 15-3:685 0 AMB 15-1:685 5.50 (# 685:15 Double Ambig)
&rst
ixpk= 685, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1047, 994,
igr2=1025, 699,
&end
#
# 52 LYS HG- 67 GLU HN 5.50 (# 686:15 Preassigned 3.14, 4.27 A)
&rst
ixpk= 686, nxpk= 15, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 794, 795,
&end
#
# 67 GLU HB2 67 GLU HN 4.50 (# 687:15 Preassigned 2.47, 3.07 A)
&rst
ixpk= 687, nxpk= 15, iat=1029,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 GLU HG+ 67 GLU HN 4.50 (# 688:15 Preassigned 2.42, 4.42 A)
&rst
ixpk= 688, nxpk= 15, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1032,1033,
&end
#
# 0 AMB 15-3:689 66 GLU HN 5.50 (# 689:15 Single Ambig)
&rst
ixpk= 689, nxpk= 15, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 763, 764, 760,
&end
#
# 45 SER HB2 47 ILE HN 7.00 (# 692:15 Preassigned 6.74, 6.81 A)
&rst
ixpk= 692, nxpk= 15, iat= 685, 699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 46 GLY HA- 47 ILE HN 3.50 (# 693:15 Preassigned 2.47, 2.56 A)
&rst
ixpk= 693, nxpk= 15, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 694, 695,
&end
#
# 46 GLY HA+ 47 ILE HN 3.50 (# 694:15 Preassigned 2.47, 2.56 A)
&rst
ixpk= 694, nxpk= 15, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 694, 695,
&end
#
# 51 VAL HA 67 GLU HN 5.50 (# 695:15 Preassigned 3.26, 3.45 A)
&rst
ixpk= 695, nxpk= 15, iat= 773,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER QB 47 ILE HN 5.50 (# 696:15 Preassigned 2.86, 4.17 A)
&rst
ixpk= 696, nxpk= 15, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 47 ILE HA 47 ILE HN 4.50 (# 697:15 Preassigned 2.93, 2.97 A)
&rst
ixpk= 697, nxpk= 15, iat= 701, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HA 67 GLU HN 3.50 (# 698:15 Preassigned 2.31, 2.42 A)
&rst
ixpk= 698, nxpk= 15, iat=1008,1025, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 GLU HN 67 GLU HN 4.50 (# 699:15 Preassigned 2.77, 2.84 A)
&rst
ixpk= 699, nxpk= 15, iat= 756,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HN 67 GLU HN 5.50 (# 700:15 Preassigned 4.38, 4.40 A)
&rst
ixpk= 700, nxpk= 15, iat=1006,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 VAL HN 67 GLU HN 5.50 (# 702:15 Preassigned 4.80, 5.03 A)
&rst
ixpk= 702, nxpk= 15, iat= 18,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 LYS HN 67 GLU HN 5.50 (# 704:15 Preassigned 4.31, 4.64 A)
&rst
ixpk= 704, nxpk= 15, iat= 787,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 LEU HN 67 GLU HN 7.00 (# 705:15 Preassigned 6.18, 6.36 A)
&rst
ixpk= 705, nxpk= 15, iat= 987,1025, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 48 VAL HN 47 ILE HN 5.50 (# 706:15 Preassigned 4.36, 4.46 A)
&rst
ixpk= 706, nxpk= 15, iat= 718, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HN 0 AMB 15-1:707 5.50 (# 707:15 Single Ambig)
&rst
ixpk= 707, nxpk= 15, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1025, 699,
&end
#
# 49 LYS HN 48 VAL HN 5.50 (# 708:15 Preassigned 4.26, 4.38 A)
&rst
ixpk= 708, nxpk= 15, iat= 734, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HN 48 VAL HN 5.50 (# 709:15 Preassigned 3.74, 3.86 A)
&rst
ixpk= 709, nxpk= 15, iat= 275, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ILE HN 48 VAL HN 5.50 (# 710:15 Preassigned 4.36, 4.46 A)
&rst
ixpk= 710, nxpk= 15, iat= 699, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HN 48 VAL HN 5.50 (# 711:15 Preassigned 3.59, 3.75 A)
&rst
ixpk= 711, nxpk= 15, iat= 282, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:712 47 VAL HN 3.50 (# 712:15 Single Ambig)
&rst
ixpk= 712, nxpk= 15, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 701, 296,
&end
#
# 20 ASP HA 48 VAL HN 5.50 (# 713:15 Preassigned 4.75, 4.83 A)
&rst
ixpk= 713, nxpk= 15, iat= 284, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HA 48 VAL HN 5.50 (# 714:15 Preassigned 5.16, 5.31 A)
&rst
ixpk= 714, nxpk= 15, iat= 736, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 VAL HA 48 VAL HN 4.50 (# 715:15 Preassigned 2.88, 2.90 A)
&rst
ixpk= 715, nxpk= 15, iat= 720, 718, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 GLY HA- 48 VAL HN 5.50 (# 716:15 Preassigned 4.26, 5.10 A)
&rst
ixpk= 716, nxpk= 15, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 277, 278,
&end
#
# 48 VAL HB 48 VAL HN 3.50 (# 717:15 Preassigned 2.36, 2.44 A)
&rst
ixpk= 717, nxpk= 15, iat= 722, 718, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ASP HB2 48 VAL HN 5.50 (# 718:15 Preassigned 5.03, 5.25 A)
&rst
ixpk= 718, nxpk= 15, iat= 286, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HB3 48 VAL HN 5.50 (# 719:15 Preassigned 3.68, 3.90 A)
&rst
ixpk= 719, nxpk= 15, iat= 287, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:720 47 VAL HN 5.50 (# 720:15 Single Ambig)
&rst
ixpk= 720, nxpk= 15, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 703, 738,
&end
#
# 0 AMB 15-3:721 47 VAL HN 5.50 (# 721:15 Single Ambig)
&rst
ixpk= 721, nxpk= 15, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 709, 710, 250, 251, 739,
&end
#
# 18 ALA QB 48 VAL HN 7.00 (# 722:15 Preassigned 6.69, 7.38 A)
&rst
ixpk= 722, nxpk= 15, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 269, 270, 271,
&end
#
# 68 LEU HG 48 VAL HN 7.00 (# 723:15 Preassigned 6.30, 6.60 A)
&rst
ixpk= 723, nxpk= 15, iat=1047, 718, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 15-3:725 47 VAL HN 5.50 (# 725:15 Single Ambig)
&rst
ixpk= 725, nxpk= 15, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 321, 322, 709, 710,
&end
#
# 68 LEU QD2 48 VAL HN 5.50 (# 726:15 Preassigned 3.81, 4.44 A)
&rst
ixpk= 726, nxpk= 15, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1053,1054,1055,
&end
#
# 47 ILE QG2 48 VAL HN 4.50 (# 727:15 Preassigned 2.79, 3.48 A)
&rst
ixpk= 727, nxpk= 15, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 705, 706, 707,
&end
#
# 0 AMB 15-3:728 47 VAL HN 5.50 (# 728:15 Single Ambig)
&rst
ixpk= 728, nxpk= 15, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 712, 713, 714,1015,1016,1017,1019,1020,1021,1015,
1016,1017,1019,1020,1021,
&end
#
# 48 VAL QG2 48 VAL HN 3.50 (# 729:15 Preassigned 2.12, 3.05 A)
&rst
ixpk= 729, nxpk= 15, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 728, 729, 730,
&end
#
# 68 LEU QD2 49 LYS HN 4.50 (# 730:15 Preassigned 2.92, 4.12 A)
&rst
ixpk= 730, nxpk= 15, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1053,1054,1055,
&end
#
# 48 VAL QG1 49 LYS HN 4.50 (# 731:15 Preassigned 3.43, 4.11 A)
&rst
ixpk= 731, nxpk= 15, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 724, 725, 726,
&end
#
# 0 AMB 15-3:732 48 LYS HN 5.50 (# 732:15 Single Ambig)
&rst
ixpk= 732, nxpk= 15, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 48 VAL QG2 49 LYS HN 5.50 (# 733:15 Preassigned 4.53, 5.21 A)
&rst
ixpk= 733, nxpk= 15, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 0 AMB 15-3:734 48 LYS HN 5.50 (# 734:15 Single Ambig)
&rst
ixpk= 734, nxpk= 15, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 741, 742, 269, 270, 271,
&end
#
# 49 LYS HB3 49 LYS HN 4.50 (# 735:15 Preassigned 2.29, 2.45 A)
&rst
ixpk= 735, nxpk= 15, iat= 739, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LYS HB2 49 LYS HN 4.50 (# 736:15 Preassigned 2.48, 2.64 A)
&rst
ixpk= 736, nxpk= 15, iat= 738, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:737 48 LYS HN 5.50 (# 737:15 Single Ambig)
&rst
ixpk= 737, nxpk= 15, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1030,1010,
&end
#
# 67 GLU HB2 49 LYS HN 7.00 (# 738:15 Preassigned 4.19, 5.66 A)
&rst
ixpk= 738, nxpk= 15, iat=1029, 734, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 48 VAL HB 49 LYS HN 5.50 (# 739:15 Preassigned 4.36, 4.44 A)
&rst
ixpk= 739, nxpk= 15, iat= 722, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 VAL HA 49 LYS HN 3.50 (# 740:15 Preassigned 2.15, 2.17 A)
&rst
ixpk= 740, nxpk= 15, iat= 720, 734, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HA 49 LYS HN 4.50 (# 741:15 Preassigned 2.89, 2.93 A)
&rst
ixpk= 741, nxpk= 15, iat= 736, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 LEU HA 49 LYS HN 4.50 (# 742:15 Preassigned 1.93, 2.04 A)
&rst
ixpk= 742, nxpk= 15, iat=1042, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLU HN 49 LYS HN 3.50 (# 743:15 Preassigned 2.26, 2.41 A)
&rst
ixpk= 743, nxpk= 15, iat= 756, 734, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:744 48 LYS HN 5.50 (# 744:15 Single Ambig)
&rst
ixpk= 744, nxpk= 15, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1025, 699,
&end
#
# 69 SER HN 49 LYS HN 4.50 (# 745:15 Preassigned 2.90, 3.24 A)
&rst
ixpk= 745, nxpk= 15, iat=1059, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 LEU QD2 50 GLU HN 5.50 (# 746:15 Preassigned 4.31, 5.72 A)
&rst
ixpk= 746, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1053,1054,1055,
&end
#
# 48 VAL QG1 50 GLU HN 4.50 (# 747:15 Preassigned 2.98, 3.75 A)
&rst
ixpk= 747, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 724, 725, 726,
&end
#
# 0 AMB 15-3:748 49 GLU HN 5.50 (# 748:15 Single Ambig)
&rst
ixpk= 748, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021, 781, 782, 783,
&end
#
# 48 VAL QG2 50 GLU HN 5.50 (# 749:15 Preassigned 5.46, 6.10 A)
&rst
ixpk= 749, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 728, 729, 730,
&end
#
# 51 VAL QG1 50 GLU HN 7.00 (# 750:15 Preassigned 6.65, 7.32 A)
&rst
ixpk= 750, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 777, 778, 779,
&end
#
# 0 AMB 15-3:751 49 GLU HN 5.50 (# 751:15 Single Ambig)
&rst
ixpk= 751, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 741, 742, 269, 270, 271,
&end
#
# 49 LYS HB3 50 GLU HN 4.50 (# 752:15 Preassigned 2.44, 2.61 A)
&rst
ixpk= 752, nxpk= 15, iat= 739, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LYS HB2 50 GLU HN 4.50 (# 753:15 Preassigned 3.75, 3.90 A)
&rst
ixpk= 753, nxpk= 15, iat= 738, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:754 49 GLU HN 4.50 (# 754:15 Single Ambig)
&rst
ixpk= 754, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1030, 761,
&end
#
# 50 GLU HB2 50 GLU HN 4.50 (# 755:15 Preassigned 3.24, 3.32 A)
&rst
ixpk= 755, nxpk= 15, iat= 760, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 GLU HB2 50 GLU HN 5.50 (# 756:15 Preassigned 2.64, 4.40 A)
&rst
ixpk= 756, nxpk= 15, iat=1029, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLU HG+ 50 GLU HN 5.50 (# 758:15 Preassigned 2.59, 4.86 A)
&rst
ixpk= 758, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1032,1033,
&end
#
# 48 VAL HA 50 GLU HN 5.50 (# 759:15 Preassigned 3.55, 3.68 A)
&rst
ixpk= 759, nxpk= 15, iat= 720, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HA 50 GLU HN 4.50 (# 760:15 Preassigned 2.90, 2.92 A)
&rst
ixpk= 760, nxpk= 15, iat= 758, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 LEU HA 50 GLU HN 5.50 (# 761:15 Preassigned 3.94, 4.04 A)
&rst
ixpk= 761, nxpk= 15, iat=1042, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLU HN 50 GLU HN 4.50 (# 762:15 Preassigned 2.77, 2.84 A)
&rst
ixpk= 762, nxpk= 15, iat=1025, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 VAL HN 50 GLU HN 5.50 (# 763:15 Preassigned 4.23, 4.36 A)
&rst
ixpk= 763, nxpk= 15, iat= 771, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HN 50 GLU HN 3.50 (# 764:15 Preassigned 2.26, 2.41 A)
&rst
ixpk= 764, nxpk= 15, iat= 734, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 LYS HN 51 VAL HN 5.50 (# 765:15 Preassigned 4.31, 4.38 A)
&rst
ixpk= 765, nxpk= 15, iat= 787, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HN 51 VAL HN 5.50 (# 766:15 Preassigned 4.23, 4.36 A)
&rst
ixpk= 766, nxpk= 15, iat= 756, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HA 51 VAL HN 2.80 (# 767:15 Preassigned 2.22, 2.40 A)
&rst
ixpk= 767, nxpk= 15, iat= 758, 771, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 VAL HA 51 VAL HN 4.50 (# 768:15 Unique 2.95, 2.98 A)
&rst
ixpk= 768, nxpk= 15, iat= 773, 771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 VAL HB 51 VAL HN 3.50 (# 769:15 Preassigned 2.63, 2.72 A)
&rst
ixpk= 769, nxpk= 15, iat= 775, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 GLU HG- 51 VAL HN 4.50 (# 770:15 Preassigned 1.93, 2.69 A)
&rst
ixpk= 770, nxpk= 15, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 763, 764,
&end
#
# 0 AMB 15-3:771 50 VAL HN 5.50 (# 771:15 Single Ambig)
&rst
ixpk= 771, nxpk= 15, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 761,1030,
&end
#
# 50 GLU HG+ 51 VAL HN 5.50 (# 772:15 Preassigned 1.93, 2.69 A)
&rst
ixpk= 772, nxpk= 15, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 763, 764,
&end
#
# 18 ALA QB 51 VAL HN 5.50 (# 773:15 Preassigned 3.29, 5.01 A)
&rst
ixpk= 773, nxpk= 15, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 269, 270, 271,
&end
#
# 52 LYS QD 51 VAL HN 5.50 (# 774:15 Preassigned 3.91, 4.96 A)
&rst
ixpk= 774, nxpk= 15, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 797, 798,
&end
#
# 51 VAL QG1 51 VAL HN 4.50 (# 775:15 Preassigned 4.50, 4.72 A)
&rst
ixpk= 775, nxpk= 15, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 777, 778, 779,
&end
#
# 51 VAL QG2 51 VAL HN 4.50 (# 777:15 Preassigned 2.25, 3.55 A)
&rst
ixpk= 777, nxpk= 15, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 781, 782, 783,
&end
#
# 48 VAL QG1 51 VAL HN 5.50 (# 778:15 Preassigned 3.80, 4.92 A)
&rst
ixpk= 778, nxpk= 15, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 724, 725, 726,
&end
#
# 65 LEU QD- 52 LYS HN 5.50 (# 779:15 Preassigned 3.66, 5.87 A)
&rst
ixpk= 779, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 996, 997, 998,1000,1001,1002,
&end
#
# 0 AMB 15-3:780 51 LYS HN 4.50 (# 780:15 Single Ambig)
&rst
ixpk= 780, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 781, 782, 783,1015,1016,1017,1019,1020,1021,1015,
1016,1017,1019,1020,1021,
&end
#
# 52 LYS HG- 52 LYS HN 4.50 (# 781:15 Preassigned 2.45, 3.28 A)
&rst
ixpk= 781, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 794, 795,
&end
#
# 0 AMB 15-3:782 51 LYS HN 3.50 (# 782:15 Single Ambig)
&rst
ixpk= 782, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 794, 795, 777, 778, 779,
&end
#
# 53 LYS HB2 52 LYS HN 5.50 (# 783:15 Preassigned 4.03, 4.19 A)
&rst
ixpk= 783, nxpk= 15, iat= 813, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 LYS QD 52 LYS HN 4.50 (# 784:15 Preassigned 3.60, 4.27 A)
&rst
ixpk= 784, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 797, 798,
&end
#
# 66 LEU HB3 52 LYS HN 5.50 (# 785:15 Preassigned 3.10, 3.56 A)
&rst
ixpk= 785, nxpk= 15, iat=1011, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 LYS HB2 52 LYS HN 4.50 (# 786:15 Preassigned 2.43, 2.52 A)
&rst
ixpk= 786, nxpk= 15, iat= 791, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLU HG- 52 LYS HN 5.50 (# 787:15 Preassigned 4.62, 5.63 A)
&rst
ixpk= 787, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 763, 764,
&end
#
# 52 LYS HB3 52 LYS HN 4.50 (# 788:15 Preassigned 3.62, 3.68 A)
&rst
ixpk= 788, nxpk= 15, iat= 792, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 VAL HB 52 LYS HN 5.50 (# 789:15 Preassigned 3.98, 4.06 A)
&rst
ixpk= 789, nxpk= 15, iat= 775, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 VAL HA 52 LYS HN 2.80 (# 790:15 Preassigned 2.18, 2.23 A)
&rst
ixpk= 790, nxpk= 15, iat= 773, 787, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 LYS HA 52 LYS HN 5.50 (# 791:15 Preassigned 4.94, 5.02 A)
&rst
ixpk= 791, nxpk= 15, iat= 811, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HA 52 LYS HN 4.50 (# 792:15 Preassigned 2.21, 2.54 A)
&rst
ixpk= 792, nxpk= 15, iat=1008, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LYS HN 52 LYS HN 3.50 (# 793:15 Preassigned 2.37, 2.45 A)
&rst
ixpk= 793, nxpk= 15, iat= 809, 787, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 GLU HN 52 LYS HN 5.50 (# 794:15 Preassigned 4.31, 4.64 A)
&rst
ixpk= 794, nxpk= 15, iat=1025, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 VAL HN 52 LYS HN 5.50 (# 795:15 Preassigned 4.31, 4.38 A)
&rst
ixpk= 795, nxpk= 15, iat= 771, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LYS HN 53 LYS HN 4.50 (# 796:15 Preassigned 4.34, 4.38 A)
&rst
ixpk= 796, nxpk= 15, iat= 831, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 LYS HN 53 LYS HN 3.50 (# 797:15 Preassigned 2.37, 2.45 A)
&rst
ixpk= 797, nxpk= 15, iat= 787, 809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HA 53 LYS HN 5.50 (# 799:15 Preassigned 4.65, 4.93 A)
&rst
ixpk= 799, nxpk= 15, iat=1008, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HA 53 LYS HN 4.50 (# 800:15 Preassigned 2.91, 2.95 A)
&rst
ixpk= 800, nxpk= 15, iat= 811, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LYS HA 53 LYS HN 5.50 (# 801:15 Preassigned 4.64, 4.78 A)
&rst
ixpk= 801, nxpk= 15, iat= 833, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:802 52 LYS HN 4.50 (# 802:15 Single Ambig)
&rst
ixpk= 802, nxpk= 15, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 789, 773,
&end
#
# 0 AMB 15-3:804 52 LYS HN 5.50 (# 804:15 Single Ambig)
&rst
ixpk= 804, nxpk= 15, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 822, 823, 800, 801,
&end
#
# 0 AMB 15-3:805 52 LYS HN 4.50 (# 805:15 Single Ambig)
&rst
ixpk= 805, nxpk= 15, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 792, 819, 820,
&end
#
# 53 LYS HB3 53 LYS HN 4.50 (# 806:15 Preassigned 3.77, 3.84 A)
&rst
ixpk= 806, nxpk= 15, iat= 814, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 VAL HB 53 LYS HN 5.50 (# 807:15 Preassigned 3.72, 3.95 A)
&rst
ixpk= 807, nxpk= 15, iat= 775, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:808 52 LYS HN 5.50 (# 808:15 Single Ambig)
&rst
ixpk= 808, nxpk= 15, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 819, 820,1011,
&end
#
# 53 LYS HG+ 53 LYS HN 4.50 (# 809:15 Preassigned 3.27, 3.95 A)
&rst
ixpk= 809, nxpk= 15, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 816, 817,
&end
#
# 53 LYS HB2 53 LYS HN 4.50 (# 810:15 Preassigned 2.64, 2.76 A)
&rst
ixpk= 810, nxpk= 15, iat= 813, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 VAL QG1 53 LYS HN 3.50 (# 811:15 Preassigned 2.03, 3.18 A)
&rst
ixpk= 811, nxpk= 15, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 777, 778, 779,
&end
#
# 65 LEU QD+ 53 LYS HN 4.50 (# 812:15 Preassigned 3.58, 6.11 A)
&rst
ixpk= 812, nxpk= 15, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 996, 997, 998,1000,1001,1002,
&end
#
# 11 LEU QD- 53 LYS HN 5.50 (# 814:15 Preassigned 5.16, 6.85 A)
&rst
ixpk= 814, nxpk= 15, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 15-3:816 53 LYS HN 5.50 (# 816:15 Single Ambig)
&rst
ixpk= 816, nxpk= 15, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 205, 206, 913, 914, 915,
&end
#
# 11 LEU QD+ 54 LYS HN 5.50 (# 817:15 Preassigned 2.91, 5.37 A)
&rst
ixpk= 817, nxpk= 15, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU QD- 54 LYS HN 5.50 (# 818:15 Preassigned 2.91, 5.37 A)
&rst
ixpk= 818, nxpk= 15, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 15-3:819 53 LYS HN 5.50 (# 819:15 Single Ambig)
&rst
ixpk= 819, nxpk= 15, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 816, 817, 200, 201, 202, 777, 778, 779,
&end
#
# 54 LYS HG- 54 LYS HN 4.50 (# 820:15 Preassigned 2.52, 2.95 A)
&rst
ixpk= 820, nxpk= 15, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 838, 839,
&end
#
# 54 LYS HG+ 54 LYS HN 4.50 (# 821:15 Preassigned 2.52, 2.95 A)
&rst
ixpk= 821, nxpk= 15, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 838, 839,
&end
#
# 53 LYS HD+ 54 LYS HN 4.50 (# 822:15 Preassigned 3.53, 3.77 A)
&rst
ixpk= 822, nxpk= 15, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 819, 820,
&end
#
# 53 LYS HB3 54 LYS HN 4.50 (# 823:15 Preassigned 1.98, 2.13 A)
&rst
ixpk= 823, nxpk= 15, iat= 814, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LYS HD- 54 LYS HN 5.50 (# 824:15 Preassigned 3.53, 3.77 A)
&rst
ixpk= 824, nxpk= 15, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 819, 820,
&end
#
# 0 AMB 15-3:826 53 LYS HN 3.50 (# 826:15 Single Ambig)
&rst
ixpk= 826, nxpk= 15, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 835, 836, 134,
&end
#
# 57 ASP HB3 54 LYS HN 5.50 (# 827:15 Preassigned 2.57, 2.72 A)
&rst
ixpk= 827, nxpk= 15, iat= 880, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ASP HB2 54 LYS HN 5.50 (# 828:15 Preassigned 2.36, 2.86 A)
&rst
ixpk= 828, nxpk= 15, iat= 879, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU HA 54 LYS HN 7.00 (# 829:15 Preassigned 6.99, 7.03 A)
&rst
ixpk= 829, nxpk= 15, iat= 131, 831, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 LYS HA 54 LYS HN 4.50 (# 830:15 Preassigned 2.89, 2.92 A)
&rst
ixpk= 830, nxpk= 15, iat= 833, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LYS HA 54 LYS HN 3.50 (# 831:15 Preassigned 2.46, 2.59 A)
&rst
ixpk= 831, nxpk= 15, iat= 811, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LYS HN 54 LYS HN 5.50 (# 833:15 Preassigned 4.34, 4.38 A)
&rst
ixpk= 833, nxpk= 15, iat= 809, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ASP HN 54 LYS HN 5.50 (# 834:15 Preassigned 3.62, 3.80 A)
&rst
ixpk= 834, nxpk= 15, iat= 875, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HN 55 GLU HN 5.50 (# 835:15 Preassigned 4.52, 4.91 A)
&rst
ixpk= 835, nxpk= 15, iat= 194, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLY HN 55 GLU HN 5.50 (# 836:15 Preassigned 4.53, 4.58 A)
&rst
ixpk= 836, nxpk= 15, iat= 868, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ASP HN 55 GLU HN 5.50 (# 839:15 Preassigned 4.63, 4.73 A)
&rst
ixpk= 839, nxpk= 15, iat= 875, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LYS HA 55 GLU HN 2.80 (# 843:15 Preassigned 2.35, 2.45 A)
&rst
ixpk= 843, nxpk= 15, iat= 833, 853, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 GLU HA 55 GLU HN 4.50 (# 845:15 Preassigned 2.78, 2.82 A)
&rst
ixpk= 845, nxpk= 15, iat= 855, 853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASP HB2 55 GLU HN 5.50 (# 846:15 Preassigned 4.94, 5.35 A)
&rst
ixpk= 846, nxpk= 15, iat= 879, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HG+ 55 GLU HN 3.50 (# 847:15 Preassigned 2.03, 2.94 A)
&rst
ixpk= 847, nxpk= 15, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 860, 861,
&end
#
# 14 VAL HB 55 GLU HN 5.50 (# 848:15 Preassigned 3.62, 4.03 A)
&rst
ixpk= 848, nxpk= 15, iat= 198, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HG- 55 GLU HN 4.50 (# 850:15 Preassigned 2.03, 2.94 A)
&rst
ixpk= 850, nxpk= 15, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 860, 861,
&end
#
# 55 GLU QB 55 GLU HN 3.50 (# 851:15 Preassigned 2.44, 3.10 A)
&rst
ixpk= 851, nxpk= 15, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 857, 858,
&end
#
# 54 LYS QB 55 GLU HN 3.50 (# 852:15 Preassigned 2.26, 3.09 A)
&rst
ixpk= 852, nxpk= 15, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 835, 836,
&end
#
# 54 LYS HG+ 55 GLU HN 5.50 (# 854:15 Preassigned 3.34, 4.12 A)
&rst
ixpk= 854, nxpk= 15, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 838, 839,
&end
#
# 54 LYS HG- 55 GLU HN 5.50 (# 855:15 Preassigned 3.34, 4.12 A)
&rst
ixpk= 855, nxpk= 15, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 838, 839,
&end
#
# 0 AMB 15-3:856 54 GLU HN 5.50 (# 856:15 Single Ambig)
&rst
ixpk= 856, nxpk= 15, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 200, 201, 202, 777, 778, 779,
&end
#
# 14 VAL QG2 55 GLU HN 4.50 (# 857:15 Preassigned 3.64, 4.57 A)
&rst
ixpk= 857, nxpk= 15, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 204, 205, 206,
&end
#
# 11 LEU QD+ 55 GLU HN 5.50 (# 858:15 Preassigned 4.60, 7.20 A)
&rst
ixpk= 858, nxpk= 15, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU QD- 55 GLU HN 5.50 (# 859:15 Preassigned 4.60, 7.20 A)
&rst
ixpk= 859, nxpk= 15, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 11 LEU QD- 56 GLY HN 5.50 (# 860:15 Preassigned 4.65, 6.18 A)
&rst
ixpk= 860, nxpk= 15, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 14 VAL QG2 56 GLY HN 5.50 (# 861:15 Preassigned 4.11, 5.52 A)
&rst
ixpk= 861, nxpk= 15, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 204, 205, 206,
&end
#
# 0 AMB 15-3:862 55 GLY HN 5.50 (# 862:15 Single Ambig)
&rst
ixpk= 862, nxpk= 15, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 136, 838, 839,
&end
#
# 11 LEU HB2 56 GLY HN 5.50 (# 863:15 Preassigned 3.07, 4.62 A)
&rst
ixpk= 863, nxpk= 15, iat= 133, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU HB3 56 GLY HN 4.50 (# 864:15 Preassigned 3.08, 3.32 A)
&rst
ixpk= 864, nxpk= 15, iat= 134, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 GLU QB 56 GLY HN 4.50 (# 865:15 Preassigned 3.15, 3.70 A)
&rst
ixpk= 865, nxpk= 15, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 857, 858,
&end
#
# 55 GLU HG- 56 GLY HN 5.50 (# 866:15 Preassigned 4.35, 4.87 A)
&rst
ixpk= 866, nxpk= 15, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 860, 861,
&end
#
# 55 GLU HG+ 56 GLY HN 5.50 (# 867:15 Preassigned 4.35, 4.87 A)
&rst
ixpk= 867, nxpk= 15, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 860, 861,
&end
#
# 55 GLU HA 56 GLY HN 2.80 (# 868:15 Preassigned 2.13, 2.18 A)
&rst
ixpk= 868, nxpk= 15, iat= 855, 868, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 GLY HA- 56 GLY HN 3.50 (# 869:15 Preassigned 2.25, 2.58 A)
&rst
ixpk= 869, nxpk= 15, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 870, 871,
&end
#
# 56 GLY HA+ 56 GLY HN 4.50 (# 870:15 Preassigned 2.25, 2.58 A)
&rst
ixpk= 870, nxpk= 15, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 870, 871,
&end
#
# 57 ASP HN 56 GLY HN 4.50 (# 871:15 Preassigned 2.69, 2.79 A)
&rst
ixpk= 871, nxpk= 15, iat= 875, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 GLU HN 56 GLY HN 5.50 (# 872:15 Preassigned 4.53, 4.58 A)
&rst
ixpk= 872, nxpk= 15, iat= 853, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU HN 56 GLY HN 5.50 (# 873:15 Preassigned 3.91, 4.02 A)
&rst
ixpk= 873, nxpk= 15, iat= 129, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY HN 63 ASP HN 3.50 (# 874:15 Preassigned 2.43, 2.50 A)
&rst
ixpk= 874, nxpk= 15, iat= 952, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE HN 63 ASP HN 5.50 (# 875:15 Preassigned 3.55, 3.60 A)
&rst
ixpk= 875, nxpk= 15, iat= 45, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:876 62 ASP HN 5.50 (# 876:15 Single Ambig)
&rst
ixpk= 876, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 923, 937,
&end
#
# 64 VAL HN 63 ASP HN 5.50 (# 877:15 Preassigned 4.50, 4.57 A)
&rst
ixpk= 877, nxpk= 15, iat= 971, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ASP HA 63 ASP HN 4.50 (# 878:15 Preassigned 2.91, 2.92 A)
&rst
ixpk= 878, nxpk= 15, iat= 961, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 GLY HA+ 63 ASP HN 4.50 (# 879:15 Preassigned 3.32, 3.40 A)
&rst
ixpk= 879, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 954, 955,
&end
#
# 0 AMB 15-3:880 62 ASP HN 4.50 (# 880:15 Single Ambig)
&rst
ixpk= 880, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 954, 955, 39,
&end
#
# 61 GLU HA 63 ASP HN 4.50 (# 881:15 Preassigned 3.58, 3.63 A)
&rst
ixpk= 881, nxpk= 15, iat= 939, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ASP HB3 63 ASP HN 3.50 (# 882:15 Preassigned 2.55, 2.58 A)
&rst
ixpk= 882, nxpk= 15, iat= 964, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LYS QE 63 ASP HN 5.50 (# 883:15 Preassigned 5.78, 6.36 A)
&rst
ixpk= 883, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 822, 823,
&end
#
# 60 ASN HB+ 63 ASP HN 5.50 (# 884:15 Preassigned 3.73, 4.36 A)
&rst
ixpk= 884, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 928,
&end
#
# 63 ASP HB2 63 ASP HN 4.50 (# 885:15 Preassigned 2.43, 2.47 A)
&rst
ixpk= 885, nxpk= 15, iat= 963, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:886 62 ASP HN 5.50 (# 886:15 Single Ambig)
&rst
ixpk= 886, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 911, 944, 945,
&end
#
# 5 ILE HB 63 ASP HN 4.50 (# 887:15 Preassigned 3.26, 3.34 A)
&rst
ixpk= 887, nxpk= 15, iat= 49, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLU HG+ 63 ASP HN 5.50 (# 888:15 Preassigned 5.31, 5.68 A)
&rst
ixpk= 888, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 944, 945,
&end
#
# 5 ILE QG2 63 ASP HN 5.50 (# 889:15 Preassigned 4.81, 5.61 A)
&rst
ixpk= 889, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 51, 52, 53,
&end
#
# 59 VAL QG1 63 ASP HN 5.50 (# 890:15 Preassigned 5.78, 6.70 A)
&rst
ixpk= 890, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 0 AMB 15-3:891 58 VAL HN 7.00 (# 891:15 Single Ambig)
&rst
ixpk= 891, nxpk= 15, iat= -1, 907, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
465, 466, 138, 139, 140, 142, 143, 144,
&end
#
# 59 VAL QG2 59 VAL HN 3.50 (# 892:15 Preassigned 2.56, 3.20 A)
&rst
ixpk= 892, nxpk= 15, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 917, 918, 919,
&end
#
# 59 VAL QG1 0 AMB 15-1:893 4.50 (# 893:15 Single Ambig)
&rst
ixpk= 893, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 913, 914, 915,
igr2= 907, 887,
&end
#
# 5 ILE QG2 59 VAL HN 5.50 (# 894:15 Preassigned 5.37, 6.52 A)
&rst
ixpk= 894, nxpk= 15, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 51, 52, 53,
&end
#
# 54 LYS HG+ 58 PHE HN 5.50 (# 896:15 Preassigned 6.06, 6.18 A)
&rst
ixpk= 896, nxpk= 15, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 838, 839,
&end
#
# 53 LYS HB3 58 PHE HN 7.00 (# 897:15 Preassigned 6.22, 6.56 A)
&rst
ixpk= 897, nxpk= 15, iat= 814, 887, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 59 VAL HB 59 VAL HN 4.50 (# 898:15 Preassigned 3.80, 3.83 A)
&rst
ixpk= 898, nxpk= 15, iat= 911, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASP HB2 58 PHE HN 4.50 (# 899:15 Preassigned 3.87, 3.98 A)
&rst
ixpk= 899, nxpk= 15, iat= 879, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASP HB3 58 PHE HN 4.50 (# 901:15 Preassigned 3.42, 3.65 A)
&rst
ixpk= 901, nxpk= 15, iat= 880, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 PHE HB3 58 PHE HN 3.50 (# 902:15 Preassigned 2.26, 2.34 A)
&rst
ixpk= 902, nxpk= 15, iat= 892, 887, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 PHE HB2 58 PHE HN 3.50 (# 903:15 Preassigned 2.59, 2.68 A)
&rst
ixpk= 903, nxpk= 15, iat= 891, 887, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 ASP HA 58 PHE HN 2.80 (# 905:15 Preassigned 2.30, 2.34 A)
&rst
ixpk= 905, nxpk= 15, iat= 877, 887, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 ASN HA 59 VAL HN 5.50 (# 906:15 Unique 4.72, 4.75 A)
&rst
ixpk= 906, nxpk= 15, iat= 925, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 PHE HD 0 AMB 15-1:907 4.50 (# 907:15 Single Ambig)
&rst
ixpk= 907, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 895, 903,
igr2= 907, 887,
&end
#
# 11 LEU HN 0 AMB 15-1:909 5.50 (# 909:15 Single Ambig)
&rst
ixpk= 909, nxpk= 15, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 887,
&end
#
# 9 GLY HN 59 VAL HN 4.50 (# 910:15 Preassigned 3.11, 3.17 A)
&rst
ixpk= 910, nxpk= 15, iat= 108, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HA 59 VAL HN 4.50 (# 911:15 Preassigned 3.01, 3.06 A)
&rst
ixpk= 911, nxpk= 15, iat= 117, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 PHE HA 0 AMB 15-1:913 3.50 (# 913:15 Single Ambig)
&rst
ixpk= 913, nxpk= 15, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 907, 887,
&end
#
# 59 VAL QG2 60 ASN HN 5.50 (# 916:15 Preassigned 4.07, 4.63 A)
&rst
ixpk= 916, nxpk= 15, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 917, 918, 919,
&end
#
# 59 VAL QG1 60 ASN HN 4.50 (# 917:15 Preassigned 3.54, 4.30 A)
&rst
ixpk= 917, nxpk= 15, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 913, 914, 915,
&end
#
# 5 ILE QG2 60 ASN HN 5.50 (# 918:15 Preassigned 3.91, 4.78 A)
&rst
ixpk= 918, nxpk= 15, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 51, 52, 53,
&end
#
# 8 ALA QB 60 ASN HN 5.50 (# 919:15 Preassigned 5.78, 6.71 A)
&rst
ixpk= 919, nxpk= 15, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 102, 103, 104,
&end
#
# 63 ASP HB3 60 ASN HN 4.50 (# 920:15 Preassigned 1.89, 1.99 A)
&rst
ixpk= 920, nxpk= 15, iat= 964, 923, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LYS QE 60 ASN HN 5.50 (# 921:15 Preassigned 4.25, 4.99 A)
&rst
ixpk= 921, nxpk= 15, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 822, 823,
&end
#
# 8 ALA HA 60 ASN HN 5.50 (# 922:15 Preassigned 4.19, 4.45 A)
&rst
ixpk= 922, nxpk= 15, iat= 100, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HA 60 ASN HN 3.50 (# 923:15 Preassigned 2.91, 2.92 A)
&rst
ixpk= 923, nxpk= 15, iat= 925, 923, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ASN HD2- 60 ASN HN 5.50 (# 924:15 Preassigned 4.09, 5.02 A)
&rst
ixpk= 924, nxpk= 15, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 932, 933,
&end
#
# 0 AMB 15-3:925 59 ASN HN 4.50 (# 925:15 Single Ambig)
&rst
ixpk= 925, nxpk= 15, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 959, 932, 933,
&end
#
# 59 VAL HN 60 ASN HN 5.50 (# 927:15 Preassigned 4.38, 4.40 A)
&rst
ixpk= 927, nxpk= 15, iat= 907, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY HN 61 GLU HN 5.50 (# 928:15 Preassigned 4.39, 4.44 A)
&rst
ixpk= 928, nxpk= 15, iat= 952, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLY HN 61 GLU HN 5.50 (# 930:15 Preassigned 5.51, 5.51 A)
&rst
ixpk= 930, nxpk= 15, iat= 108, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ASP HN 61 GLU HN 4.50 (# 931:15 Preassigned 4.44, 4.49 A)
&rst
ixpk= 931, nxpk= 15, iat= 959, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASN HA 61 GLU HN 3.50 (# 935:15 Preassigned 2.39, 2.42 A)
&rst
ixpk= 935, nxpk= 15, iat= 925, 937, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 MET HA 61 GLU HN 4.50 (# 936:15 Preassigned 3.86, 4.10 A)
&rst
ixpk= 936, nxpk= 15, iat= 83, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLU HA 61 GLU HN 4.50 (# 937:15 Preassigned 2.85, 2.86 A)
&rst
ixpk= 937, nxpk= 15, iat= 939, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASN HB+ 61 GLU HN 3.50 (# 938:15 Preassigned 2.91, 3.46 A)
&rst
ixpk= 938, nxpk= 15, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 927, 928,
&end
#
# 63 ASP HB2 61 GLU HN 5.50 (# 939:15 Preassigned 4.79, 4.85 A)
&rst
ixpk= 939, nxpk= 15, iat= 963, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:940 60 GLU HN 4.50 (# 940:15 Single Ambig)
&rst
ixpk= 940, nxpk= 15, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 944, 945, 911,
&end
#
# 61 GLU HB3 61 GLU HN 2.80 (# 941:15 Preassigned 2.31, 2.34 A)
&rst
ixpk= 941, nxpk= 15, iat= 942, 937, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 ASN HB- 61 GLU HN 4.50 (# 942:15 Preassigned 2.91, 3.46 A)
&rst
ixpk= 942, nxpk= 15, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 927, 928,
&end
#
# 61 GLU HB2 60 ASN HN 7.00 (# 943:15 Preassigned 6.39, 6.43 A)
&rst
ixpk= 943, nxpk= 15, iat= 941, 923, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 61 GLU HB3 60 ASN HN 7.00 (# 944:15 Preassigned 6.44, 6.47 A)
&rst
ixpk= 944, nxpk= 15, iat= 942, 923, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 ILE QG2 62 GLY HN 5.50 (# 945:15 Preassigned 4.50, 5.54 A)
&rst
ixpk= 945, nxpk= 15, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 51, 52, 53,
&end
#
# 61 GLU HB3 62 GLY HN 4.50 (# 946:15 Preassigned 4.41, 4.48 A)
&rst
ixpk= 946, nxpk= 15, iat= 942, 952, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLU HG+ 62 GLY HN 4.50 (# 947:15 Preassigned 3.34, 3.69 A)
&rst
ixpk= 947, nxpk= 15, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 944, 945,
&end
#
# 61 GLU HA 62 GLY HN 2.80 (# 949:15 Preassigned 2.15, 2.17 A)
&rst
ixpk= 949, nxpk= 15, iat= 939, 952, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-3:950 61 GLY HN 3.50 (# 950:15 Single Ambig)
&rst
ixpk= 950, nxpk= 15, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 954, 955, 39,
&end
#
# 5 ILE HA 62 GLY HN 5.50 (# 951:15 Preassigned 4.92, 4.97 A)
&rst
ixpk= 951, nxpk= 15, iat= 47, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY HA+ 62 GLY HN 3.50 (# 952:15 Preassigned 2.30, 2.63 A)
&rst
ixpk= 952, nxpk= 15, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 954, 955,
&end
#
# 7 MET HN 62 GLY HN 5.50 (# 953:15 Preassigned 4.14, 4.34 A)
&rst
ixpk= 953, nxpk= 15, iat= 81, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ASP HN 62 GLY HN 4.50 (# 954:15 Preassigned 2.43, 2.50 A)
&rst
ixpk= 954, nxpk= 15, iat= 959, 952, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:955 61 GLY HN 5.50 (# 955:15 Single Ambig)
&rst
ixpk= 955, nxpk= 15, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 937, 923,
&end
#
# 5 ILE HN 62 GLY HN 5.50 (# 956:15 Preassigned 4.00, 4.12 A)
&rst
ixpk= 956, nxpk= 15, iat= 45, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLY HN 57 ASP HN 4.50 (# 957:15 Preassigned 2.69, 2.79 A)
&rst
ixpk= 957, nxpk= 15, iat= 868, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HN 57 ASP HN 5.50 (# 958:15 Preassigned 2.86, 3.54 A)
&rst
ixpk= 958, nxpk= 15, iat= 129, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LYS HN 57 ASP HN 5.50 (# 959:15 Preassigned 3.62, 3.80 A)
&rst
ixpk= 959, nxpk= 15, iat= 831, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ASP HA 57 ASP HN 4.50 (# 961:15 Preassigned 2.87, 2.90 A)
&rst
ixpk= 961, nxpk= 15, iat= 877, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 GLY HA+ 57 ASP HN 4.50 (# 962:15 Preassigned 2.85, 3.39 A)
&rst
ixpk= 962, nxpk= 15, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 870, 871,
&end
#
# 56 GLY HA- 57 ASP HN 4.50 (# 964:15 Preassigned 2.85, 3.39 A)
&rst
ixpk= 964, nxpk= 15, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 870, 871,
&end
#
# 55 GLU HA 57 ASP HN 4.50 (# 965:15 Preassigned 3.52, 3.66 A)
&rst
ixpk= 965, nxpk= 15, iat= 855, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASP HB3 57 ASP HN 3.50 (# 966:15 Preassigned 2.57, 2.65 A)
&rst
ixpk= 966, nxpk= 15, iat= 880, 875, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 ASP HB2 57 ASP HN 4.50 (# 967:15 Preassigned 2.30, 2.55 A)
&rst
ixpk= 967, nxpk= 15, iat= 879, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HB3 57 ASP HN 4.50 (# 968:15 Preassigned 2.82, 3.08 A)
&rst
ixpk= 968, nxpk= 15, iat= 134, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HB2 57 ASP HN 4.50 (# 969:15 Preassigned 2.56, 4.01 A)
&rst
ixpk= 969, nxpk= 15, iat= 133, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LYS HG- 57 ASP HN 5.50 (# 970:15 Preassigned 3.11, 3.82 A)
&rst
ixpk= 970, nxpk= 15, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 838, 839,
&end
#
# 0 AMB 15-3:971 56 ASP HN 5.50 (# 971:15 Single Ambig)
&rst
ixpk= 971, nxpk= 15, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 138, 139, 140, 142, 143, 144, 917, 918, 919,
&end
#
# 11 LEU QD- 57 ASP HN 5.50 (# 972:15 Preassigned 3.77, 6.01 A)
&rst
ixpk= 972, nxpk= 15, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 15-3:974 63 VAL HN 4.50 (# 974:15 Single Ambig)
&rst
ixpk= 974, nxpk= 15, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 977, 978, 979, 913, 914, 915,
&end
#
# 64 VAL QG2 64 VAL HN 3.50 (# 975:15 Preassigned 1.97, 2.96 A)
&rst
ixpk= 975, nxpk= 15, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 981, 982, 983,
&end
#
# 53 LYS HG+ 64 VAL HN 5.50 (# 976:15 Preassigned 5.39, 5.76 A)
&rst
ixpk= 976, nxpk= 15, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 816, 817,
&end
#
# 64 VAL HB 64 VAL HN 3.50 (# 977:15 Preassigned 2.46, 2.56 A)
&rst
ixpk= 977, nxpk= 15, iat= 975, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:978 63 VAL HN 5.50 (# 978:15 Single Ambig)
&rst
ixpk= 978, nxpk= 15, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 792, 819, 820,
&end
#
# 63 ASP HB2 64 VAL HN 4.50 (# 979:15 Preassigned 4.31, 4.38 A)
&rst
ixpk= 979, nxpk= 15, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ASP HB3 64 VAL HN 5.50 (# 980:15 Preassigned 4.00, 4.08 A)
&rst
ixpk= 980, nxpk= 15, iat= 964, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS QE 64 VAL HN 5.50 (# 981:15 Preassigned 4.19, 4.66 A)
&rst
ixpk= 981, nxpk= 15, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 822, 823,
&end
#
# 64 VAL HA 64 VAL HN 4.50 (# 983:15 Preassigned 2.82, 2.84 A)
&rst
ixpk= 983, nxpk= 15, iat= 973, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ASP HA 64 VAL HN 2.80 (# 984:15 Preassigned 2.21, 2.24 A)
&rst
ixpk= 984, nxpk= 15, iat= 961, 971, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 65 LEU HN 64 VAL HN 5.50 (# 987:15 Preassigned 4.57, 4.62 A)
&rst
ixpk= 987, nxpk= 15, iat= 987, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL HN 65 LEU HN 5.50 (# 989:15 Preassigned 4.57, 4.62 A)
&rst
ixpk= 989, nxpk= 15, iat= 971, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HN 65 LEU HN 3.50 (# 990:15 Preassigned 2.06, 2.16 A)
&rst
ixpk= 990, nxpk= 15, iat=1006, 987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 SER HA 65 LEU HN 4.50 (# 991:15 Preassigned 1.92, 2.12 A)
&rst
ixpk= 991, nxpk= 15, iat= 36, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HA 65 LEU HN 4.50 (# 992:15 Preassigned 2.96, 2.98 A)
&rst
ixpk= 992, nxpk= 15, iat= 989, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 VAL HA 65 LEU HN 3.50 (# 993:15 Preassigned 2.14, 2.20 A)
&rst
ixpk= 993, nxpk= 15, iat= 973, 987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:994 64 LEU HN 5.50 (# 994:15 Single Ambig)
&rst
ixpk= 994, nxpk= 15, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 39, 38,
&end
#
# 5 ILE HB 65 LEU HN 7.00 (# 995:15 Preassigned 5.81, 6.17 A)
&rst
ixpk= 995, nxpk= 15, iat= 49, 987, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 66 LEU HB2 65 LEU HN 7.00 (# 996:15 Preassigned 6.03, 6.11 A)
&rst
ixpk= 996, nxpk= 15, iat=1010, 987, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 65 LEU HB3 65 LEU HN 4.50 (# 997:15 Preassigned 2.35, 2.48 A)
&rst
ixpk= 997, nxpk= 15, iat= 992, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:998 64 LEU HN 5.50 (# 998:15 Single Ambig)
&rst
ixpk= 998, nxpk= 15, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 55, 56, 994,
&end
#
# 0 AMB 15-3:1001 64 LEU HN 5.50 (# 1001:15 Single Ambig)
&rst
ixpk= 1001, nxpk= 15, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 981, 982, 983, 24, 25, 26,
&end
#
# 64 VAL QG1 65 LEU HN 4.50 (# 1002:15 Preassigned 2.42, 3.23 A)
&rst
ixpk= 1002, nxpk= 15, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 977, 978, 979,
&end
#
# 3 VAL QG2 65 LEU HN 5.50 (# 1003:15 Preassigned 6.02, 6.66 A)
&rst
ixpk= 1003, nxpk= 15, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 28, 29, 30,
&end
#
# 64 VAL QG1 66 LEU HN 4.50 (# 1004:15 Preassigned 2.61, 3.38 A)
&rst
ixpk= 1004, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 977, 978, 979,
&end
#
# 3 VAL QG2 66 LEU HN 4.50 (# 1005:15 Preassigned 4.60, 5.51 A)
&rst
ixpk= 1005, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 28, 29, 30,
&end
#
# 0 AMB 15-3:1006 65 LEU HN 5.50 (# 1006:15 Single Ambig)
&rst
ixpk= 1006, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 24, 25, 26, 981, 982, 983,
&end
#
# 65 LEU HG 66 LEU HN 4.50 (# 1008:15 Preassigned 3.36, 4.24 A)
&rst
ixpk= 1008, nxpk= 15, iat= 994,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HB3 66 LEU HN 4.50 (# 1009:15 Preassigned 2.32, 2.51 A)
&rst
ixpk= 1009, nxpk= 15, iat= 992,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HB2 66 LEU HN 4.50 (# 1010:15 Preassigned 4.00, 4.03 A)
&rst
ixpk= 1010, nxpk= 15, iat=1010,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 VAL HB 66 LEU HN 4.50 (# 1011:15 Preassigned 3.04, 3.25 A)
&rst
ixpk= 1011, nxpk= 15, iat= 22,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HG 66 LEU HN 5.50 (# 1012:15 Preassigned 2.59, 3.08 A)
&rst
ixpk= 1012, nxpk= 15, iat=1013,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL HA 66 LEU HN 5.50 (# 1013:15 Preassigned 3.87, 4.03 A)
&rst
ixpk= 1013, nxpk= 15, iat= 973,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 LEU HA 66 LEU HN 5.50 (# 1014:15 Preassigned 3.65, 3.65 A)
&rst
ixpk= 1014, nxpk= 15, iat= 989,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HA 66 LEU HN 4.50 (# 1015:15 Preassigned 2.90, 2.92 A)
&rst
ixpk= 1015, nxpk= 15, iat=1008,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 GLU HN 66 LEU HN 5.50 (# 1016:15 Preassigned 4.38, 4.40 A)
&rst
ixpk= 1016, nxpk= 15, iat=1025,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 LEU HN 66 LEU HN 3.50 (# 1017:15 Preassigned 2.06, 2.16 A)
&rst
ixpk= 1017, nxpk= 15, iat= 987,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 LEU QD2 68 LEU HN 5.50 (# 1019:15 Preassigned 3.89, 4.79 A)
&rst
ixpk= 1019, nxpk= 15, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1053,1054,1055,
&end
#
# 0 AMB 15-3:1020 67 LEU HN 5.50 (# 1020:15 Single Ambig)
&rst
ixpk= 1020, nxpk= 15, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
1020,1021,
&end
#
# 68 LEU QD1 68 LEU HN 5.50 (# 1021:15 Preassigned 4.09, 4.95 A)
&rst
ixpk= 1021, nxpk= 15, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1049,1050,1051,
&end
#
# 68 LEU HG 68 LEU HN 4.50 (# 1023:15 Preassigned 2.82, 3.00 A)
&rst
ixpk= 1023, nxpk= 15, iat=1047,1040, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-3:1024 67 LEU HN 4.50 (# 1024:15 Single Ambig)
&rst
ixpk= 1024, nxpk= 15, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1045, 744, 745,
&end
#
# 67 GLU HG+ 68 LEU HN 5.50 (# 1027:15 Preassigned 2.45, 3.18 A)
&rst
ixpk= 1027, nxpk= 15, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1032,1033,
&end
#
# 0 AMB 15-3:1030 67 LEU HN 5.50 (# 1030:15 Single Ambig)
&rst
ixpk= 1030, nxpk= 15, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1061, 20,
&end
#
# 67 GLU HA 68 LEU HN 3.50 (# 1032:15 Preassigned 2.20, 2.29 A)
&rst
ixpk= 1032, nxpk= 15, iat=1027,1040, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-3:1033 67 LEU HN 4.50 (# 1033:15 Single Ambig)
&rst
ixpk= 1033, nxpk= 15, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1042, 6,
&end
#
# 67 GLU HN 68 LEU HN 5.50 (# 1034:15 Preassigned 4.33, 4.38 A)
&rst
ixpk= 1034, nxpk= 15, iat=1025,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HN 68 LEU HN 5.50 (# 1035:15 Preassigned 4.45, 4.48 A)
&rst
ixpk= 1035, nxpk= 15, iat=1059,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HN 69 SER HN 5.50 (# 1036:15 Preassigned 2.90, 3.24 A)
&rst
ixpk= 1036, nxpk= 15, iat= 734,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ILE HN 69 SER HN 5.50 (# 1037:15 Preassigned 2.76, 3.38 A)
&rst
ixpk= 1037, nxpk= 15, iat= 699,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LEU HA 69 SER HN 3.50 (# 1038:15 Preassigned 2.20, 2.27 A)
&rst
ixpk= 1038, nxpk= 15, iat=1042,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 SER HA 69 SER HN 4.50 (# 1039:15 Preassigned 2.78, 2.85 A)
&rst
ixpk= 1039, nxpk= 15, iat=1061,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LYS HA 69 SER HN 5.50 (# 1040:15 Preassigned 3.82, 4.37 A)
&rst
ixpk= 1040, nxpk= 15, iat= 736,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLY HA+ 69 SER HN 5.50 (# 1041:15 Preassigned 3.58, 5.02 A)
&rst
ixpk= 1041, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 694, 695,
&end
#
# 69 SER QB 69 SER HN 4.50 (# 1042:15 Preassigned 2.45, 3.03 A)
&rst
ixpk= 1042, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1063,1064,
&end
#
# 48 VAL HA 69 SER HN 5.50 (# 1043:15 Preassigned 3.79, 4.08 A)
&rst
ixpk= 1043, nxpk= 15, iat= 720,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:1044 68 SER HN 4.50 (# 1044:15 Single Ambig)
&rst
ixpk= 1044, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1045, 738, 703,
&end
#
# 68 LEU HB2 69 SER HN 4.50 (# 1045:15 Preassigned 3.40, 3.85 A)
&rst
ixpk= 1045, nxpk= 15, iat=1044,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ILE QD1 69 SER HN 7.00 (# 1046:15 Preassigned 6.44, 6.99 A)
&rst
ixpk= 1046, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 712, 713, 714,
&end
#
# 47 ILE QG2 69 SER HN 5.50 (# 1047:15 Preassigned 3.33, 4.96 A)
&rst
ixpk= 1047, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 705, 706, 707,
&end
#
# 68 LEU QD2 69 SER HN 5.50 (# 1048:15 Preassigned 3.34, 4.44 A)
&rst
ixpk= 1048, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1053,1054,1055,
&end
#
# 71 SER HA 72 THR HN 5.50 (# 1050:15 Preassigned 2.26, 2.95 A)
&rst
ixpk= 1050, nxpk= 15, iat=1086,1095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 THR QG2 73 GLN HN 5.50 (# 1051:15 Preassigned 2.28, 4.60 A)
&rst
ixpk= 1051, nxpk= 15, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1101,1102,1103,
&end
#
# 73 GLN HB+ 73 GLN HN 5.50 (# 1052:15 Preassigned 2.33, 3.27 A)
&rst
ixpk= 1052, nxpk= 15, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1113,1114,
&end
#
# 73 GLN QG 73 GLN HN 5.50 (# 1053:15 Preassigned 2.05, 3.35 A)
&rst
ixpk= 1053, nxpk= 15, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1116,1117,
&end
#
# 73 GLN HB- 73 GLN HN 5.50 (# 1054:15 Preassigned 2.33, 3.27 A)
&rst
ixpk= 1054, nxpk= 15, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1113,1114,
&end
#
# 73 GLN HA 73 GLN HN 4.50 (# 1056:15 Preassigned 2.24, 2.85 A)
&rst
ixpk= 1056, nxpk= 15, iat=1111,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 THR HB 73 GLN HN 5.50 (# 1057:15 Preassigned 2.09, 3.66 A)
&rst
ixpk= 1057, nxpk= 15, iat=1099,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 THR HA 73 GLN HN 4.50 (# 1058:15 Preassigned 2.22, 3.06 A)
&rst
ixpk= 1058, nxpk= 15, iat=1097,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HN 21 GLN HE2- 5.50 (# 1060:15 Preassigned 2.57, 3.99 A)
&rst
ixpk= 1060, nxpk= 15, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 46 GLY HN 21 GLN HE2- 5.50 (# 1061:15 Preassigned 2.44, 4.17 A)
&rst
ixpk= 1061, nxpk= 15, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 0 AMB 15-3:1062 0 AMB 15-1:1062 5.50 (# 1062:15 Double Ambig)
&rst
ixpk= 1062, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 619, 45,
igr2= 76, 77, 76, 77,
&end
#
# 0 AMB 15-3:1064 0 AMB 15-1:1064 5.50 (# 1064:15 Double Ambig)
&rst
ixpk= 1064, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 47, 694, 695, 686,
igr2= 76, 77, 306, 307,
&end
#
# 6 GLN HA 6 GLN HE2+ 5.50 (# 1065:15 Preassigned 4.38, 5.41 A)
&rst
ixpk= 1065, nxpk= 15, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 76, 77,
&end
#
# 6 GLN HG+ 6 GLN HE2+ 4.50 (# 1066:15 Preassigned 2.27, 3.40 A)
&rst
ixpk= 1066, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 71, 72,
igr2= 76, 77,
&end
#
# 0 AMB 15-3:1067 0 AMB 15-1:1067 4.50 (# 1067:15 Double Ambig)
&rst
ixpk= 1067, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 301, 302, 71, 72, 68, 69,
igr2= 306, 307, 76, 77, 76, 77,
&end
#
# 23 GLU HB2 21 GLN HE2- 5.50 (# 1068:15 Preassigned 2.21, 3.68 A)
&rst
ixpk= 1068, nxpk= 15, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 0 AMB 15-3:1069 0 AMB 15-1:1069 5.50 (# 1069:15 Double Ambig)
&rst
ixpk= 1069, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 51, 52, 53, 573, 574, 575,
igr2= 76, 77, 76, 77,
&end
#
# 0 AMB 15-3:1070 0 AMB 15-1:1070 5.50 (# 1070:15 Double Ambig)
&rst
ixpk= 1070, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 712, 713, 714, 625, 626, 627,
igr2= 306, 307, 76, 77,
&end
#
# 0 AMB 15-3:1071 5 GLN HE2- 5.50 (# 1071:15 Single Ambig)
&rst
ixpk= 1071, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 606, 607, 608, 613, 614, 615,
igr2= 76, 77,
&end
#
# 0 AMB 15-3:1072 5 GLN HE2- 5.50 (# 1072:15 Single Ambig)
&rst
ixpk= 1072, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 51, 52, 53, 573, 574, 575,
igr2= 76, 77,
&end
#
# 23 GLU HB2 21 GLN HE2+ 5.50 (# 1074:15 Preassigned 2.21, 3.68 A)
&rst
ixpk= 1074, nxpk= 15, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 0 AMB 15-3:1075 0 AMB 15-1:1075 5.50 (# 1075:15 Double Ambig)
&rst
ixpk= 1075, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 301, 302, 71, 72, 68, 69,
igr2= 306, 307, 76, 77,
&end
#
# 6 GLN HG+ 6 GLN HE2- 5.50 (# 1076:15 Preassigned 2.27, 3.40 A)
&rst
ixpk= 1076, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 71, 72,
igr2= 76, 77,
&end
#
# 4 SER HB2 6 GLN HE2- 5.50 (# 1077:15 Unique 4.65, 7.33 A)
&rst
ixpk= 1077, nxpk= 15, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 76, 77,
&end
#
# 40 ILE HA 6 GLN HE2- 5.50 (# 1078:15 Preassigned 3.06, 4.33 A)
&rst
ixpk= 1078, nxpk= 15, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 76, 77,
&end
#
# 58 PHE HA 10 ASN HD2+ 5.50 (# 1079:15 Preassigned 2.46, 2.71 A)
&rst
ixpk= 1079, nxpk= 15, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 124, 125,
&end
#
# 10 ASN HB2 10 ASN HD2+ 5.50 (# 1080:15 Preassigned 3.02, 3.52 A)
&rst
ixpk= 1080, nxpk= 15, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 124, 125,
&end
#
# 10 ASN HB3 10 ASN HD2+ 5.50 (# 1081:15 Preassigned 3.57, 3.86 A)
&rst
ixpk= 1081, nxpk= 15, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 124, 125,
&end
#
# 0 AMB 15-3:1082 0 AMB 15-1:1082 5.50 (# 1082:15 Double Ambig)
&rst
ixpk= 1082, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 907, 115,
igr2= 124, 125, 124, 125,
&end
#
# 58 PHE HD 10 ASN HD2+ 5.50 (# 1084:15 Preassigned 2.25, 4.36 A)
&rst
ixpk= 1084, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 895, 903,
igr2= 124, 125,
&end
#
# 58 PHE HB2 10 ASN HD2+ 5.50 (# 1086:15 Preassigned 2.99, 3.64 A)
&rst
ixpk= 1086, nxpk= 15, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 124, 125,
&end
#
# 10 ASN HB3 10 ASN HD2- 5.50 (# 1087:15 Preassigned 3.57, 3.86 A)
&rst
ixpk= 1087, nxpk= 15, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 124, 125,
&end
#
# 10 ASN HB2 10 ASN HD2- 4.50 (# 1088:15 Preassigned 3.02, 3.52 A)
&rst
ixpk= 1088, nxpk= 15, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 124, 125,
&end
#
# 0 AMB 15-3:1089 9 ASN HD2- 5.50 (# 1089:15 Single Ambig)
&rst
ixpk= 1089, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 907, 115,
igr2= 124, 125,
&end
#
# 22 ILE HN 21 GLN HE2+ 5.50 (# 1090:15 Preassigned 2.57, 3.99 A)
&rst
ixpk= 1090, nxpk= 15, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 0 AMB 15-3:1091 5 GLN HE2- 5.50 (# 1091:15 Single Ambig)
&rst
ixpk= 1091, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 619, 45,
igr2= 76, 77,
&end
#
# 0 AMB 15-3:1092 0 AMB 15-1:1092 5.50 (# 1092:15 Double Ambig)
&rst
ixpk= 1092, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 712, 713, 714, 625, 626, 627,
igr2= 306, 307, 76, 77,
&end
#
# 21 GLN HG+ 21 GLN HE2+ 5.50 (# 1093:15 Preassigned 2.22, 3.24 A)
&rst
ixpk= 1093, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 301, 302,
igr2= 306, 307,
&end
#
# 0 AMB 15-3:1094 0 AMB 15-1:1094 5.50 (# 1094:15 Double Ambig)
&rst
ixpk= 1094, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 694, 695, 686,
igr2= 306, 307, 306, 307,
&end
#
# 45 SER HB2 21 GLN HE2+ 5.50 (# 1095:15 Preassigned 4.23, 5.74 A)
&rst
ixpk= 1095, nxpk= 15, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 46 GLY HN 21 GLN HE2+ 5.50 (# 1097:15 Preassigned 2.44, 4.17 A)
&rst
ixpk= 1097, nxpk= 15, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 22 ILE HA 21 GLN HE2- 5.50 (# 1098:15 Preassigned 3.51, 4.69 A)
&rst
ixpk= 1098, nxpk= 15, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 28 VAL HA 26 GLN HE2+ 5.50 (# 1099:15 Preassigned 2.97, 4.23 A)
&rst
ixpk= 1099, nxpk= 15, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 22 ILE HA 26 GLN HE2+ 5.50 (# 1100:15 Preassigned 2.24, 3.61 A)
&rst
ixpk= 1100, nxpk= 15, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 0 AMB 15-3:1101 0 AMB 15-1:1101 5.50 (# 1101:15 Double Ambig)
&rst
ixpk= 1101, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 330, 374,
igr2= 386, 387, 386, 387,
&end
#
# 23 GLU HN 26 GLN HE2- 5.50 (# 1104:15 Preassigned 3.80, 4.55 A)
&rst
ixpk= 1104, nxpk= 15, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 22 ILE HA 26 GLN HE2- 5.50 (# 1105:15 Preassigned 2.24, 3.61 A)
&rst
ixpk= 1105, nxpk= 15, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 26 GLN HG- 26 GLN HE2- 4.50 (# 1106:15 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1106, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 381, 382,
igr2= 386, 387,
&end
#
# 0 AMB 15-3:1107 25 GLN HE2- 5.50 (# 1107:15 Single Ambig)
&rst
ixpk= 1107, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 378, 410,
igr2= 386, 387,
&end
#
# 26 GLN HB3 26 GLN HE2- 5.50 (# 1108:15 Unique 2.55, 3.57 A)
&rst
ixpk= 1108, nxpk= 15, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 26 GLN HG+ 26 GLN HE2- 4.50 (# 1109:15 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1109, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 381, 382,
igr2= 386, 387,
&end
#
# 16 VAL QG1 26 GLN HE2- 4.50 (# 1110:15 Preassigned 3.69, 4.94 A)
&rst
ixpk= 1110, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 233, 234, 235,
igr2= 386, 387,
&end
#
# 22 ILE QG2 26 GLN HE2- 5.50 (# 1111:15 Preassigned 2.26, 4.02 A)
&rst
ixpk= 1111, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 317, 318, 319,
igr2= 386, 387,
&end
#
# 22 ILE QD1 26 GLN HE2- 5.50 (# 1112:15 Preassigned 5.21, 6.52 A)
&rst
ixpk= 1112, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 324, 325, 326,
igr2= 386, 387,
&end
#
# 59 VAL HB 60 ASN HD2+ 5.50 (# 1113:15 Preassigned 5.51, 6.49 A)
&rst
ixpk= 1113, nxpk= 15, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 932, 933,
&end
#
# 60 ASN HB- 60 ASN HD2+ 4.50 (# 1114:15 Preassigned 2.48, 3.47 A)
&rst
ixpk= 1114, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 927, 928,
igr2= 932, 933,
&end
#
# 60 ASN HB+ 60 ASN HD2+ 4.50 (# 1115:15 Preassigned 2.48, 3.47 A)
&rst
ixpk= 1115, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 927, 928,
igr2= 932, 933,
&end
#
# 0 AMB 15-3:1116 0 AMB 15-1:1116 5.50 (# 1116:15 Double Ambig)
&rst
ixpk= 1116, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 909, 83,
igr2= 932, 933, 932, 933,
&end
#
# 60 ASN HA 60 ASN HD2+ 5.50 (# 1117:15 Preassigned 2.44, 2.94 A)
&rst
ixpk= 1117, nxpk= 15, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 932, 933,
&end
#
# 10 ASN HD2- 60 ASN HD2+ 5.50 (# 1119:15 Preassigned 6.19, 7.18 A)
&rst
ixpk= 1119, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 124, 125,
igr2= 932, 933,
&end
#
# 0 AMB 15-3:1120 0 AMB 15-1:1120 5.50 (# 1120:15 Double Ambig)
&rst
ixpk= 1120, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 937, 923,
igr2= 932, 933, 932, 933,
&end
#
# 0 AMB 15-3:1121 59 ASN HD2- 5.50 (# 1121:15 Single Ambig)
&rst
ixpk= 1121, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 937, 923,
igr2= 932, 933,
&end
#
# 10 ASN HD2- 60 ASN HD2- 5.50 (# 1122:15 Preassigned 6.19, 7.18 A)
&rst
ixpk= 1122, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 124, 125,
igr2= 932, 933,
&end
#
# 7 MET HN 60 ASN HD2- 7.00 (# 1123:15 Preassigned 6.95, 7.45 A)
&rst
ixpk= 1123, nxpk= 15, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 932, 933,
&end
#
# 60 ASN HB+ 60 ASN HD2- 5.50 (# 1124:15 Preassigned 2.48, 3.47 A)
&rst
ixpk= 1124, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 927, 928,
igr2= 932, 933,
&end
#
# 60 ASN HB- 60 ASN HD2- 5.50 (# 1125:15 Preassigned 2.48, 3.47 A)
&rst
ixpk= 1125, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 927, 928,
igr2= 932, 933,
&end
#
# 70 ASN HB+ 70 ASN HD2+ 5.50 (# 1126:15 Preassigned 2.24, 3.31 A)
&rst
ixpk= 1126, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1074,1075,
igr2=1079,1080,
&end
#
# 70 ASN HB- 70 ASN HD2- 5.50 (# 1133:15 Preassigned 2.24, 3.31 A)
&rst
ixpk= 1133, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1074,1075,
igr2=1079,1080,
&end
#
# 70 ASN HB+ 70 ASN HD2- 5.50 (# 1134:15 Preassigned 2.24, 3.31 A)
&rst
ixpk= 1134, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1074,1075,
igr2=1079,1080,
&end
#
# 13 LYS HG- 12 TRP HE1 5.50 (# 1143:15 Preassigned 5.38, 6.13 A)
&rst
ixpk= 1143, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 179, 180,
&end
#
# 13 LYS HG+ 12 TRP HE1 5.50 (# 1144:15 Preassigned 5.38, 6.13 A)
&rst
ixpk= 1144, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 179, 180,
&end
#
# 30 ILE QG2 12 TRP HE1 5.50 (# 1145:15 Preassigned 5.99, 6.51 A)
&rst
ixpk= 1145, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 438, 439, 440,
&end
#
# 37 GLU HG+ 12 TRP HE1 5.50 (# 1146:15 Preassigned 3.40, 3.90 A)
&rst
ixpk= 1146, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 559, 560,
&end
#
# 37 GLU HG- 12 TRP HE1 5.50 (# 1147:15 Preassigned 3.40, 3.90 A)
&rst
ixpk= 1147, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 559, 560,
&end
#
# 13 LYS HE- 12 TRP HE1 5.50 (# 1148:15 Preassigned 5.00, 6.02 A)
&rst
ixpk= 1148, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 185, 186,
&end
#
# 13 LYS HE+ 12 TRP HE1 5.50 (# 1149:15 Preassigned 5.00, 6.02 A)
&rst
ixpk= 1149, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 185, 186,
&end
#
# 12 TRP HD1 12 TRP HE1 3.50 (# 1150:15 Preassigned 2.55, 2.55 A)
&rst
ixpk= 1150, nxpk= 15, iat= 156, 158, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLN HG- 26 GLN HE2+ 4.50 (# 1151:15 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1151, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 381, 382,
igr2= 386, 387,
&end
#
# 26 GLN HG+ 26 GLN HE2+ 4.50 (# 1152:15 Preassigned 2.23, 3.34 A)
&rst
ixpk= 1152, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 381, 382,
igr2= 386, 387,
&end
#
# 26 GLN HB3 26 GLN HE2+ 5.50 (# 1153:15 Preassigned 2.55, 3.57 A)
&rst
ixpk= 1153, nxpk= 15, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 16 VAL QG1 26 GLN HE2+ 5.50 (# 1154:15 Preassigned 3.69, 4.94 A)
&rst
ixpk= 1154, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 233, 234, 235,
igr2= 386, 387,
&end
#
# 22 ILE QG2 26 GLN HE2+ 5.50 (# 1155:15 Preassigned 2.26, 4.02 A)
&rst
ixpk= 1155, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 317, 318, 319,
igr2= 386, 387,
&end
#
# 59 VAL QG2 63 ASP HN 7.00 (# 1157:15 Preassigned 6.86, 7.43 A)
&rst
ixpk= 1157, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 917, 918, 919,
&end
#
# 37 GLU HB3 37 GLU HN 4.50 (# 1158:15 Preassigned 3.73, 3.81 A)
&rst
ixpk= 1158, nxpk= 15, iat= 557, 552, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 ILE HG1- 37 GLU HN 5.50 (# 1159:15 Preassigned 3.80, 4.82 A)
&rst
ixpk= 1159, nxpk= 15, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 577, 578,
&end
#
# 40 ILE QG2 6 GLN HE2+ 5.50 (# 1160:15 Preassigned 2.04, 5.07 A)
&rst
ixpk= 1160, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 606, 607, 608,
igr2= 76, 77,
&end
#
# 53 LYS HB3 57 ASP HN 5.50 (# 1161:15 Preassigned 4.57, 4.87 A)
&rst
ixpk= 1161, nxpk= 15, iat= 814, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HG+ 50 GLU HN 5.50 (# 1162:15 Unique 3.50, 4.36 A)
&rst
ixpk= 1162, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 741, 742,
&end
#
# 49 LYS HA 50 GLU HN 4.50 (# 1163:15 Preassigned 3.61, 3.64 A)
&rst
ixpk= 1163, nxpk= 15, iat= 736, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 GLN HA 62 GLY HN 4.50 (# 1165:15 Preassigned 2.63, 2.87 A)
&rst
ixpk= 1165, nxpk= 15, iat= 66, 952, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 SER HN 38 ILE HN 5.50 (# 1166:15 Preassigned 4.66, 4.77 A)
&rst
ixpk= 1166, nxpk= 15, iat= 485, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HA 31 LEU HN 7.00 (# 1167:15 Preassigned 6.38, 6.45 A)
&rst
ixpk= 1167, nxpk= 15, iat= 424, 451, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 6 GLN HN 5 ILE HN 5.50 (# 1168:15 Preassigned 4.60, 4.63 A)
&rst
ixpk= 1168, nxpk= 15, iat= 64, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 SER HA 9 GLY HN 7.00 (# 1169:15 Preassigned 6.41, 6.46 A)
&rst
ixpk= 1169, nxpk= 15, iat= 487, 108, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 15-3:1170 8 GLY HN 5.50 (# 1170:15 Single Ambig)
&rst
ixpk= 1170, nxpk= 15, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 909, 83,
&end
#
# 12 TRP HN 32 GLU HN 5.50 (# 1171:15 Preassigned 2.55, 2.83 A)
&rst
ixpk= 1171, nxpk= 15, iat= 148, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LYS HN 18 ALA HN 5.50 (# 1172:15 Preassigned 4.28, 4.31 A)
&rst
ixpk= 1172, nxpk= 15, iat= 243, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HN 65 LEU HN 5.50 (# 1174:15 Preassigned 3.75, 3.99 A)
&rst
ixpk= 1174, nxpk= 15, iat= 45, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HA 43 ASP HN 5.50 (# 1175:15 Preassigned 2.86, 2.87 A)
&rst
ixpk= 1175, nxpk= 15, iat= 647, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HB- 60 ASN HN 5.50 (# 1176:15 Preassigned 2.82, 3.11 A)
&rst
ixpk= 1176, nxpk= 15, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 928,
&end
#
# 63 ASP HB2 60 ASN HN 5.50 (# 1177:15 Preassigned 2.25, 2.33 A)
&rst
ixpk= 1177, nxpk= 15, iat= 963, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HB+ 60 ASN HN 5.50 (# 1178:15 Preassigned 2.82, 3.11 A)
&rst
ixpk= 1178, nxpk= 15, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 928,
&end
#
# 59 VAL HA 60 ASN HN 4.50 (# 1179:15 Preassigned 2.37, 2.39 A)
&rst
ixpk= 1179, nxpk= 15, iat= 909, 923, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 VAL HB 60 ASN HN 4.50 (# 1180:15 Preassigned 2.39, 2.45 A)
&rst
ixpk= 1180, nxpk= 15, iat= 911, 923, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 LYS HB2 53 LYS HN 5.50 (# 1181:15 Preassigned 3.51, 3.72 A)
&rst
ixpk= 1181, nxpk= 15, iat= 791, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ALA HA 42 ALA HN 5.50 (# 1183:15 Preassigned 2.82, 2.83 A)
&rst
ixpk= 1183, nxpk= 15, iat= 637, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASN HB- 70 ASN HD2+ 5.50 (# 1184:15 Preassigned 2.24, 3.31 A)
&rst
ixpk= 1184, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1074,1075,
igr2=1079,1080,
&end
#
# 5 ILE QG2 8 ALA HN 5.50 (# 1185:15 Preassigned 5.24, 6.20 A)
&rst
ixpk= 1185, nxpk= 15, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 51, 52, 53,
&end
#
# 0 AMB 15-3:1186 56 ASP HN 5.50 (# 1186:15 Single Ambig)
&rst
ixpk= 1186, nxpk= 15, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 887, 148, 907,
&end
#
# 12 TRP HZ2 12 TRP HE1 4.50 (# 1189:15 Preassigned 2.90, 2.91 A)
&rst
ixpk= 1189, nxpk= 15, iat= 161, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 HID HD2 15 HID HN 5.50 (# 1190:15 Preassigned 3.62, 3.76 A)
&rst
ixpk= 1190, nxpk= 15, iat= 223, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HN 15 HID HN 5.50 (# 1191:15 Preassigned 5.38, 5.50 A)
&rst
ixpk= 1191, nxpk= 15, iat= 432, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TRP HD1 12 TRP HN 5.50 (# 1195:15 Preassigned 4.13, 4.38 A)
&rst
ixpk= 1195, nxpk= 15, iat= 156, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ASP HN 5 ILE HN 5.50 (# 1196:15 Preassigned 3.55, 3.60 A)
&rst
ixpk= 1196, nxpk= 15, iat= 959, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ILE HB 26 GLN HE2- 5.50 (# 1198:15 Preassigned 3.52, 3.96 A)
&rst
ixpk= 1198, nxpk= 15, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 28 VAL HA 26 GLN HE2- 5.50 (# 1199:15 Preassigned 2.97, 4.23 A)
&rst
ixpk= 1199, nxpk= 15, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 26 GLN HA 26 GLN HE2+ 5.50 (# 1200:15 Preassigned 4.55, 5.31 A)
&rst
ixpk= 1200, nxpk= 15, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 4 SER HB2 6 GLN HE2+ 5.50 (# 1201:15 Unique 4.65, 7.33 A)
&rst
ixpk= 1201, nxpk= 15, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 76, 77,
&end
#
# 40 ILE HG1+ 6 GLN HE2- 5.50 (# 1203:15 Preassigned 4.54, 6.25 A)
&rst
ixpk= 1203, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 610, 611,
igr2= 76, 77,
&end
#
# 57 ASP HB3 56 GLY HN 5.50 (# 1204:15 Preassigned 5.06, 5.19 A)
&rst
ixpk= 1204, nxpk= 15, iat= 880, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-3:1205 61 GLY HN 5.50 (# 1205:15 Single Ambig)
&rst
ixpk= 1205, nxpk= 15, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 68, 69, 71, 72, 963,
&end
#
# 29 ALA HN 30 ILE HN 5.50 (# 1207:15 Preassigned 4.31, 4.32 A)
&rst
ixpk= 1207, nxpk= 15, iat= 422, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ASP HN 64 VAL HN 5.50 (# 1208:15 Preassigned 4.50, 4.57 A)
&rst
ixpk= 1208, nxpk= 15, iat= 959, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 HID HD2 29 ALA HN 5.50 (# 1209:15 Preassigned 3.19, 3.41 A)
&rst
ixpk= 1209, nxpk= 15, iat= 223, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HB- 63 ASP HN 5.50 (# 1210:15 Preassigned 3.73, 4.36 A)
&rst
ixpk= 1210, nxpk= 15, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 928,
&end
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