NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
495151 |
2l3n   |
17199 | cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 22 LEU HA 25 THR HB 5.50 (# 5:23 Unique 5.15, 5.40 A)
&rst
ixpk= 5, nxpk= 23, iat= 331, 397, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 50 LEU HB+ 25 THR HB 5.50 (# 6:23 Unique 2.61, 3.59 A)
&rst
ixpk= 6, nxpk= 23, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 778, 779,
&end
#
# 25 THR HN 25 THR HB 5.50 (# 7:23 Unique 3.40, 3.49 A)
&rst
ixpk= 7, nxpk= 23, iat= 393, 397, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 LEU HB- 25 THR HB 5.50 (# 8:23 Unique 2.61, 3.59 A)
&rst
ixpk= 8, nxpk= 23, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 778, 779,
&end
#
# 25 THR MG2 25 THR HB 4.50 (# 9:23 Unique 2.23, 2.64 A)
&rst
ixpk= 9, nxpk= 23, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 399, 400, 401,
&end
#
# 50 LEU MDY 25 THR HB 4.50 (# 10:23 Unique 2.07, 3.98 A)
&rst
ixpk= 10, nxpk= 23, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 783, 784, 785, 787, 788, 789,
&end
#
# 50 LEU MDX 25 THR HB 4.50 (# 11:23 Unique 2.07, 3.98 A)
&rst
ixpk= 11, nxpk= 23, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 783, 784, 785, 787, 788, 789,
&end
#
# 21 ILE MG2 25 THR HB 5.60 (# 12:23 Unique 5.71, 6.37 A)
&rst
ixpk= 12, nxpk= 23, iat= -1, 397, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 316, 317, 318,
&end
#
# 39 THR HN 39 THR HB 5.60 (# 14:23 Unique 3.56, 3.60 A)
&rst
ixpk= 14, nxpk= 23, iat= 602, 606, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 23-2:15 39 THR HB 4.50 (# 15:23 Single Ambig)
&rst
ixpk= 15, nxpk= 23, iat= -1, 606, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 561, 595, 596, 595, 596,
&end
#
# 0 AMB 23-2:16 39 THR HB 4.50 (# 16:23 Single Ambig)
&rst
ixpk= 16, nxpk= 23, iat= -1, 606, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 715, 696,
&end
#
# 45 ILE HB 39 THR HB 4.50 (# 17:23 Unique 2.00, 2.14 A)
&rst
ixpk= 17, nxpk= 23, iat= 698, 606, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ARG HB- 39 THR HB 4.50 (# 18:23 Unique 2.76, 3.76 A)
&rst
ixpk= 18, nxpk= 23, iat= -1, 606, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 634, 635,
&end
#
# 39 THR MG2 39 THR HB 4.50 (# 19:23 Unique 2.35, 2.64 A)
&rst
ixpk= 19, nxpk= 23, iat= -1, 606, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 608, 609, 610,
&end
#
# 45 ILE MG2 39 THR HB 4.50 (# 20:23 Unique 2.40, 3.59 A)
&rst
ixpk= 20, nxpk= 23, iat= -1, 606, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 700, 701, 702,
&end
#
# 45 ILE MD1 39 THR HB 5.50 (# 21:23 Unique 2.01, 3.47 A)
&rst
ixpk= 21, nxpk= 23, iat= -1, 606, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 707, 708, 709,
&end
#
# 55 THR HN 55 THR HB 5.50 (# 22:23 Unique 2.67, 3.50 A)
&rst
ixpk= 22, nxpk= 23, iat= 862, 866, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 THR MG2 55 THR HB 3.50 (# 24:23 Unique 2.23, 2.64 A)
&rst
ixpk= 24, nxpk= 23, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 868, 869, 870,
&end
#
# 0 AMB 23-2:26 0 AMB 23-1:26 5.50 (# 26:23 Double Ambig)
&rst
ixpk= 26, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 284, 329,
igr2= 267, 425, 426,
&end
#
# 0 AMB 23-2:27 43 VAL HA 4.50 (# 27:23 Single Ambig)
&rst
ixpk= 27, nxpk= 23, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 654, 723,
&end
#
# 0 AMB 23-2:28 0 AMB 23-1:28 4.50 (# 28:23 Double Ambig)
&rst
ixpk= 28, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 432, 265,
igr2= 425, 426, 267,
&end
#
# 46 ALA HN 43 VAL HA 5.50 (# 30:23 Unique 3.28, 3.30 A)
&rst
ixpk= 30, nxpk= 23, iat= 713, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:32 0 AMB 23-1:32 4.50 (# 32:23 Double Ambig)
&rst
ixpk= 32, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 421, 310,
igr2= 425, 426, 267,
&end
#
# 32 PHE HE 0 AMB 23-1:33 4.50 (# 33:23 Single Ambig)
&rst
ixpk= 33, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 505, 509,
igr2= 267, 425, 426,
&end
#
# 45 ILE HN 43 VAL HA 5.50 (# 34:23 Unique 4.38, 4.41 A)
&rst
ixpk= 34, nxpk= 23, iat= 694, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 SER HA 27 SER HB- 4.50 (# 35:23 Unique 2.26, 2.79 A)
&rst
ixpk= 35, nxpk= 23, iat= 423, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 425, 426,
&end
#
# 32 PHE HB+ 27 SER HB- 5.60 (# 40:23 Unique 3.41, 5.14 A)
&rst
ixpk= 40, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1= 499, 500,
igr2= 425, 426,
&end
#
# 31 GLN HB+ 27 SER HB- 5.50 (# 42:23 Unique 2.00, 3.36 A)
&rst
ixpk= 42, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 482, 483,
igr2= 425, 426,
&end
#
# 43 VAL HB 43 VAL HA 4.50 (# 43:23 Unique 2.46, 2.52 A)
&rst
ixpk= 43, nxpk= 23, iat= 658, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:44 0 AMB 23-1:44 4.50 (# 44:23 Double Ambig)
&rst
ixpk= 44, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 269, 336,
igr2= 267, 425, 426,
&end
#
# 21 ILE HB 18 ILE HA 3.50 (# 47:23 Unique 3.01, 3.12 A)
&rst
ixpk= 47, nxpk= 23, iat= 314, 267, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 23-2:48 43 VAL HA 5.60 (# 48:23 Single Ambig)
&rst
ixpk= 48, nxpk= 23, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1= 677, 678, 553, 554, 555,
&end
#
# 46 ALA MB 43 VAL HA 4.50 (# 50:23 Unique 2.30, 3.32 A)
&rst
ixpk= 50, nxpk= 23, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 717, 718, 719,
&end
#
# 43 VAL MGX 43 VAL HA 4.50 (# 51:23 Unique 2.24, 3.44 A)
&rst
ixpk= 51, nxpk= 23, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 0 AMB 23-2:52 18 ILE HA 2.80 (# 52:23 Single Ambig)
&rst
ixpk= 52, nxpk= 23, iat= -1, 267, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 271, 272, 273, 278, 279, 280,
&end
#
# 0 AMB 23-2:53 18 ILE HA 3.50 (# 53:23 Single Ambig)
&rst
ixpk= 53, nxpk= 23, iat= -1, 267, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 323, 324, 325, 320, 321,
&end
#
# 22 LEU MDY 27 SER HB- 5.50 (# 56:23 Unique 2.19, 4.72 A)
&rst
ixpk= 56, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 425, 426,
&end
#
# 47 ILE HN 47 ILE HA 5.50 (# 57:23 Unique 2.81, 2.82 A)
&rst
ixpk= 57, nxpk= 23, iat= 723, 725, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 LEU HN 47 ILE HA 3.50 (# 58:23 Unique 3.51, 3.52 A)
&rst
ixpk= 58, nxpk= 23, iat= 774, 725, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HN 47 ILE HA 5.60 (# 59:23 Unique 3.50, 3.50 A)
&rst
ixpk= 59, nxpk= 23, iat= 742, 725, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 23-2:60 47 ILE HA 4.50 (# 60:23 Single Ambig)
&rst
ixpk= 60, nxpk= 23, iat= -1, 725, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 733, 734, 756, 757,
&end
#
# 47 ILE HB 47 ILE HA 3.50 (# 61:23 Unique 2.40, 2.40 A)
&rst
ixpk= 61, nxpk= 23, iat= 727, 725, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 THR MG2 47 ILE HA 5.50 (# 63:23 Unique 3.04, 3.99 A)
&rst
ixpk= 63, nxpk= 23, iat= -1, 725, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 399, 400, 401,
&end
#
# 47 ILE MG2 47 ILE HA 2.80 (# 64:23 Unique 2.39, 3.13 A)
&rst
ixpk= 64, nxpk= 23, iat= -1, 725, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 729, 730, 731,
&end
#
# 0 AMB 23-2:66 47 ILE HA 2.80 (# 66:23 Single Ambig)
&rst
ixpk= 66, nxpk= 23, iat= -1, 725, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 783, 784, 785, 787, 788, 789, 733, 734,
&end
#
# 21 ILE MG2 18 ILE HA 5.60 (# 67:23 Unique 4.95, 5.41 A)
&rst
ixpk= 67, nxpk= 23, iat= -1, 267, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 316, 317, 318,
&end
#
# 21 ILE MG2 47 ILE HA 4.50 (# 68:23 Unique 3.82, 4.41 A)
&rst
ixpk= 68, nxpk= 23, iat= -1, 725, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 316, 317, 318,
&end
#
# 22 LEU HN 21 ILE HA 5.60 (# 69:23 Unique 3.51, 3.55 A)
&rst
ixpk= 69, nxpk= 23, iat= 329, 312, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 24 TYR HN 21 ILE HA 3.50 (# 70:23 Unique 3.31, 3.38 A)
&rst
ixpk= 70, nxpk= 23, iat= 372, 312, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 23-2:71 0 AMB 23-1:71 3.50 (# 71:23 Double Ambig)
&rst
ixpk= 71, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1298, 310,
igr2=1300, 312,
&end
#
# 0 AMB 23-2:72 21 ILE HA 5.50 (# 72:23 Single Ambig)
&rst
ixpk= 72, nxpk= 23, iat= -1, 312, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 393, 348,
&end
#
# 24 TYR HB- 21 ILE HA 5.50 (# 74:23 Unique 2.00, 2.63 A)
&rst
ixpk= 74, nxpk= 23, iat= -1, 312, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 376, 377,
&end
#
# 0 AMB 23-2:75 21 ILE HA 2.80 (# 75:23 Single Ambig)
&rst
ixpk= 75, nxpk= 23, iat= -1, 312, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 320, 321, 323, 324, 325,
&end
#
# 21 ILE MG2 21 ILE HA 4.50 (# 76:23 Unique 2.55, 3.19 A)
&rst
ixpk= 76, nxpk= 23, iat= -1, 312, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 316, 317, 318,
&end
#
# 88 ILE HN 88 ILE HA 3.50 (# 77:23 Unique 2.81, 2.82 A)
&rst
ixpk= 77, nxpk= 23, iat=1298,1300, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 VAL HN 14 VAL HA 5.50 (# 78:23 Unique 2.76, 2.78 A)
&rst
ixpk= 78, nxpk= 23, iat= 212, 214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 ARG HN 88 ILE HA 5.50 (# 79:23 Unique 3.87, 3.95 A)
&rst
ixpk= 79, nxpk= 23, iat=1350,1300, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:80 14 VAL HA 3.50 (# 80:23 Single Ambig)
&rst
ixpk= 80, nxpk= 23, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 216, 244, 245, 269,1285,1286,
&end
#
# 0 AMB 23-2:81 88 ILE HA 5.50 (# 81:23 Single Ambig)
&rst
ixpk= 81, nxpk= 23, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 216, 269,
&end
#
# 92 LEU HB+ 88 ILE HA 4.50 (# 82:23 Unique 4.43, 4.77 A)
&rst
ixpk= 82, nxpk= 23, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1378,1379,
&end
#
# 17 ALA MB 14 VAL HA 4.50 (# 83:23 Unique 3.18, 4.22 A)
&rst
ixpk= 83, nxpk= 23, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 259, 260, 261,
&end
#
# 0 AMB 23-2:84 14 VAL HA 4.50 (# 84:23 Single Ambig)
&rst
ixpk= 84, nxpk= 23, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
&end
#
# 0 AMB 23-2:85 88 ILE HA 3.50 (# 85:23 Single Ambig)
&rst
ixpk= 85, nxpk= 23, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224, 278, 279, 280,1308,1309,
&end
#
# 88 ILE MD1 88 ILE HA 2.80 (# 86:23 Unique 2.00, 2.87 A)
&rst
ixpk= 86, nxpk= 23, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1311,1312,1313,
&end
#
# 88 ILE MG2 88 ILE HA 3.50 (# 88:23 Unique 2.35, 3.10 A)
&rst
ixpk= 88, nxpk= 23, iat= -1,1300, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1304,1305,1306,
&end
#
# 0 AMB 23-2:90 96 VAL HA 5.50 (# 90:23 Single Ambig)
&rst
ixpk= 90, nxpk= 23, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1472,1483,
&end
#
# 96 VAL HB 96 VAL HA 3.50 (# 96:23 Unique 3.02, 3.02 A)
&rst
ixpk= 96, nxpk= 23, iat=1460,1458, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 VAL MGX 96 VAL HA 3.50 (# 100:23 Unique 2.38, 3.11 A)
&rst
ixpk= 100, nxpk= 23, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1462,1463,1464,1466,1467,1468,
&end
#
# 86 GLN HN 85 SER HB+ 4.50 (# 116:23 Unique 2.32, 3.35 A)
&rst
ixpk= 116, nxpk= 23, iat=1264, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1257,1258,
&end
#
# 0 AMB 23-2:117 0 AMB 23-1:117 3.50 (# 117:23 Double Ambig)
&rst
ixpk= 117, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1253,1230,
igr2=1257,1258,1257,1258,
&end
#
# 0 AMB 23-2:118 0 AMB 23-1:118 4.50 (# 118:23 Double Ambig)
&rst
ixpk= 118, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1472,1483,
igr2=1476,1477,1476,1477,
&end
#
# 42 ARG HA 85 SER HB+ 5.50 (# 120:23 Unique 2.02, 3.74 A)
&rst
ixpk= 120, nxpk= 23, iat= 632, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1257,1258,
&end
#
# 0 AMB 23-2:121 0 AMB 23-1:121 5.50 (# 121:23 Double Ambig)
&rst
ixpk= 121, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 658,1268,1269,
igr2=1257,1258,1257,1258,
&end
#
# 42 ARG HG+ 85 SER HB+ 4.50 (# 122:23 Unique 3.30, 4.88 A)
&rst
ixpk= 122, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 637, 638,
igr2=1257,1258,
&end
#
# 38 SER HN 0 AMB 23-1:126 3.50 (# 126:23 Single Ambig)
&rst
ixpk= 126, nxpk= 23, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 595, 596, 595, 596,
&end
#
# 39 THR HN 38 SER HB+ 3.50 (# 128:23 Unique 2.36, 2.91 A)
&rst
ixpk= 128, nxpk= 23, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 595, 596,
&end
#
# 53 LYS HN 52 SER HB+ 4.50 (# 129:23 Unique 2.21, 3.31 A)
&rst
ixpk= 129, nxpk= 23, iat= 823, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 816, 817,
&end
#
# 38 SER HA 0 AMB 23-1:131 3.50 (# 131:23 Single Ambig)
&rst
ixpk= 131, nxpk= 23, iat= 593, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 595, 596, 595, 596,
&end
#
# 52 SER HA 52 SER HB+ 3.50 (# 132:23 Unique 2.26, 2.74 A)
&rst
ixpk= 132, nxpk= 23, iat= 814, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 816, 817,
&end
#
# 52 SER HN 52 SER HB+ 4.50 (# 133:23 Unique 2.09, 2.68 A)
&rst
ixpk= 133, nxpk= 23, iat= 812, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 816, 817,
&end
#
# 0 AMB 23-2:135 0 AMB 23-1:135 5.50 (# 135:23 Double Ambig)
&rst
ixpk= 135, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 713,1154,
igr2= 696,1118,
&end
#
# 76 VAL HN 76 VAL HA 5.60 (# 136:23 Unique 2.77, 2.90 A)
&rst
ixpk= 136, nxpk= 23, iat=1116,1118, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 48 ALA HN 45 ILE HA 5.50 (# 137:23 Unique 3.54, 3.57 A)
&rst
ixpk= 137, nxpk= 23, iat= 742, 696, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 ILE HN 45 ILE HA 4.50 (# 138:23 Unique 2.82, 2.83 A)
&rst
ixpk= 138, nxpk= 23, iat= 694, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:139 45 ILE HA 4.50 (# 139:23 Single Ambig)
&rst
ixpk= 139, nxpk= 23, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 698, 756, 757, 634, 635,
&end
#
# 0 AMB 23-2:140 45 ILE HA 4.50 (# 140:23 Single Ambig)
&rst
ixpk= 140, nxpk= 23, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 746, 747, 748, 677, 678, 762, 763,
&end
#
# 0 AMB 23-2:141 0 AMB 23-1:141 4.50 (# 141:23 Double Ambig)
&rst
ixpk= 141, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 704, 705,1139,1140,
igr2= 696,1118,
&end
#
# 45 ILE MG2 45 ILE HA 4.50 (# 142:23 Unique 2.41, 3.05 A)
&rst
ixpk= 142, nxpk= 23, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 700, 701, 702,
&end
#
# 45 ILE MD1 45 ILE HA 4.50 (# 143:23 Unique 4.49, 4.67 A)
&rst
ixpk= 143, nxpk= 23, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 707, 708, 709,
&end
#
# 10 ASN HN 9 VAL HA 5.50 (# 144:23 Unique 2.14, 2.78 A)
&rst
ixpk= 144, nxpk= 23, iat= 142, 128, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 VAL HN 9 VAL HA 5.50 (# 145:23 Unique 2.28, 2.85 A)
&rst
ixpk= 145, nxpk= 23, iat= 126, 128, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 LYS HN 76 VAL HA 4.50 (# 146:23 Unique 2.28, 2.72 A)
&rst
ixpk= 146, nxpk= 23, iat=1132,1118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 VAL HB 9 VAL HA 4.50 (# 148:23 Unique 2.42, 2.56 A)
&rst
ixpk= 148, nxpk= 23, iat= 130, 128, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 VAL HB 76 VAL HA 4.50 (# 149:23 Unique 2.40, 2.46 A)
&rst
ixpk= 149, nxpk= 23, iat=1120,1118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:151 9 VAL HA 4.50 (# 151:23 Single Ambig)
&rst
ixpk= 151, nxpk= 23, iat= -1, 128, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 132, 133, 134, 136, 137, 138, 132, 133, 134, 136,
137, 138,
&end
#
# 0 AMB 23-2:152 76 VAL HA 4.50 (# 152:23 Single Ambig)
&rst
ixpk= 152, nxpk= 23, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
1127,1128,
&end
#
# 56 SER HN 55 THR HA 5.60 (# 155:23 Unique 2.14, 2.86 A)
&rst
ixpk= 155, nxpk= 23, iat= 876, 864, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 23-2:157 85 SER HA 4.50 (# 157:23 Single Ambig)
&rst
ixpk= 157, nxpk= 23, iat= -1,1255, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1253,1281,
&end
#
# 55 THR HN 55 THR HA 5.60 (# 158:23 Unique 2.28, 2.82 A)
&rst
ixpk= 158, nxpk= 23, iat= 862, 864, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 23-2:159 85 SER HA 4.50 (# 159:23 Single Ambig)
&rst
ixpk= 159, nxpk= 23, iat= -1,1255, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1302,1321,1322,
&end
#
# 55 THR MG2 55 THR HA 3.50 (# 160:23 Unique 2.02, 3.58 A)
&rst
ixpk= 160, nxpk= 23, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 868, 869, 870,
&end
#
# 43 VAL MGX 85 SER HA 5.50 (# 161:23 Unique 3.38, 6.95 A)
&rst
ixpk= 161, nxpk= 23, iat= -1,1255, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 25 THR HN 25 THR HA 4.50 (# 163:23 Unique 2.87, 2.88 A)
&rst
ixpk= 163, nxpk= 23, iat= 393, 395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 THR MG2 25 THR HA 4.50 (# 164:23 Unique 2.04, 2.85 A)
&rst
ixpk= 164, nxpk= 23, iat= -1, 395, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 399, 400, 401,
&end
#
# 51 LEU MDY 25 THR HA 4.50 (# 165:23 Unique 3.35, 5.17 A)
&rst
ixpk= 165, nxpk= 23, iat= -1, 395, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 39 THR HN 39 THR HA 5.50 (# 166:23 Unique 2.82, 2.82 A)
&rst
ixpk= 166, nxpk= 23, iat= 602, 604, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 THR MG2 39 THR HA 4.50 (# 168:23 Unique 2.29, 3.00 A)
&rst
ixpk= 168, nxpk= 23, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 608, 609, 610,
&end
#
# 29 GLU HN 29 GLU HA 5.50 (# 169:23 Unique 2.76, 2.80 A)
&rst
ixpk= 169, nxpk= 23, iat= 446, 448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 PHE HB+ 29 GLU HA 4.50 (# 170:23 Unique 3.24, 3.51 A)
&rst
ixpk= 170, nxpk= 23, iat= -1, 448, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 499, 500,
&end
#
# 30 GLN HG- 29 GLU HA 5.50 (# 171:23 Unique 5.18, 5.72 A)
&rst
ixpk= 171, nxpk= 23, iat= -1, 448, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 468, 469,
&end
#
# 22 LEU MDY 29 GLU HA 4.50 (# 173:23 Unique 2.84, 4.46 A)
&rst
ixpk= 173, nxpk= 23, iat= -1, 448, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 92 LEU MDY 29 GLU HA 5.50 (# 174:23 Unique 4.07, 5.81 A)
&rst
ixpk= 174, nxpk= 23, iat= -1, 448, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1383,1384,1385,1387,1388,1389,
&end
#
# 24 TYR HN 24 TYR HA 4.50 (# 175:23 Unique 2.76, 2.76 A)
&rst
ixpk= 175, nxpk= 23, iat= 372, 374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 SER HN 38 SER HA 4.50 (# 176:23 Unique 2.80, 2.89 A)
&rst
ixpk= 176, nxpk= 23, iat= 591, 593, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 THR HN 38 SER HA 5.50 (# 177:23 Unique 3.55, 3.56 A)
&rst
ixpk= 177, nxpk= 23, iat= 602, 593, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:179 38 SER HA 3.50 (# 179:23 Single Ambig)
&rst
ixpk= 179, nxpk= 23, iat= -1, 593, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 595, 596, 595, 596,
&end
#
# 24 TYR HB+ 24 TYR HA 4.50 (# 180:23 Unique 2.39, 2.76 A)
&rst
ixpk= 180, nxpk= 23, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 376, 377,
&end
#
# 24 TYR HB- 24 TYR HA 4.50 (# 181:23 Unique 2.39, 2.76 A)
&rst
ixpk= 181, nxpk= 23, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 376, 377,
&end
#
# 44 ARG HN 44 ARG HA 4.50 (# 183:23 Unique 2.75, 2.79 A)
&rst
ixpk= 183, nxpk= 23, iat= 670, 672, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:184 44 ARG HA 4.50 (# 184:23 Single Ambig)
&rst
ixpk= 184, nxpk= 23, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 723, 654,
&end
#
# 93 ARG HN 93 ARG HA 4.50 (# 186:23 Unique 2.82, 2.84 A)
&rst
ixpk= 186, nxpk= 23, iat=1393,1395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:187 0 AMB 23-1:187 4.50 (# 187:23 Double Ambig)
&rst
ixpk= 187, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 812, 393, 348,
igr2= 814, 374,
&end
#
# 53 LYS HN 52 SER HA 5.50 (# 188:23 Unique 3.44, 3.51 A)
&rst
ixpk= 188, nxpk= 23, iat= 823, 814, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ARG HD+ 93 ARG HA 4.50 (# 192:23 Unique 4.30, 4.44 A)
&rst
ixpk= 192, nxpk= 23, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1403,1404,
&end
#
# 96 VAL HB 93 ARG HA 4.50 (# 193:23 Unique 3.14, 3.18 A)
&rst
ixpk= 193, nxpk= 23, iat=1460,1395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:195 93 ARG HA 3.50 (# 195:23 Single Ambig)
&rst
ixpk= 195, nxpk= 23, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1400,1401,1397,1398,
&end
#
# 44 ARG HB- 44 ARG HA 3.50 (# 196:23 Unique 2.39, 2.45 A)
&rst
ixpk= 196, nxpk= 23, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 44 ARG HG+ 44 ARG HA 4.50 (# 197:23 Unique 3.59, 3.77 A)
&rst
ixpk= 197, nxpk= 23, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 677, 678,
&end
#
# 93 ARG HG- 93 ARG HA 4.50 (# 198:23 Unique 2.34, 2.53 A)
&rst
ixpk= 198, nxpk= 23, iat= -1,1395, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1400,1401,
&end
#
# 43 VAL MGY 44 ARG HA 5.50 (# 199:23 Unique 3.09, 4.60 A)
&rst
ixpk= 199, nxpk= 23, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 47 ILE MD1 44 ARG HA 4.50 (# 200:23 Unique 2.10, 3.02 A)
&rst
ixpk= 200, nxpk= 23, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 736, 737, 738,
&end
#
# 34 GLU HN 30 GLN HA 4.50 (# 201:23 Unique 3.78, 3.84 A)
&rst
ixpk= 201, nxpk= 23, iat= 534, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:202 83 SER HA 5.50 (# 202:23 Single Ambig)
&rst
ixpk= 202, nxpk= 23, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1230,1253,1218,
&end
#
# 0 AMB 23-2:203 97 SER HA 4.50 (# 203:23 Single Ambig)
&rst
ixpk= 203, nxpk= 23, iat= -1,1474, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1472,1483,
&end
#
# 31 GLN HN 30 GLN HA 5.50 (# 204:23 Unique 3.54, 3.55 A)
&rst
ixpk= 204, nxpk= 23, iat= 478, 463, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 SER HB+ 97 SER HA 3.50 (# 205:23 Unique 2.31, 2.77 A)
&rst
ixpk= 205, nxpk= 23, iat= -1,1474, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1476,1477,
&end
#
# 0 AMB 23-2:206 97 SER HA 5.50 (# 206:23 Single Ambig)
&rst
ixpk= 206, nxpk= 23, iat= -1,1474, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1462,1463,1464,1466,1467,1468,1462,1463,1464,1466,
1467,1468,
&end
#
# 0 AMB 23-2:207 30 GLN HA 3.50 (# 207:23 Single Ambig)
&rst
ixpk= 207, nxpk= 23, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1462,1463,1464,1466,1467,1468,1462,1463,1464,1466,
1467,1468,
&end
#
# 29 GLU HN 28 THR HA 4.50 (# 208:23 Unique 2.48, 2.62 A)
&rst
ixpk= 208, nxpk= 23, iat= 446, 434, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 GLU HN 34 GLU HA 3.50 (# 209:23 Unique 3.37, 3.43 A)
&rst
ixpk= 209, nxpk= 23, iat= 576, 536, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 LEU HN 30 GLN HA 3.50 (# 210:23 Unique 3.50, 3.51 A)
&rst
ixpk= 210, nxpk= 23, iat= 515, 463, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 GLN HN 28 THR HA 5.60 (# 211:23 Unique 4.57, 4.79 A)
&rst
ixpk= 211, nxpk= 23, iat= 461, 434, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 30 GLN HN 30 GLN HA 4.50 (# 212:23 Unique 2.79, 2.80 A)
&rst
ixpk= 212, nxpk= 23, iat= 461, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 GLU HN 13 GLU HA 4.50 (# 213:23 Unique 2.76, 2.78 A)
&rst
ixpk= 213, nxpk= 23, iat= 197, 199, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 THR HN 28 THR HA 5.50 (# 214:23 Unique 2.94, 2.95 A)
&rst
ixpk= 214, nxpk= 23, iat= 432, 434, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 ASP HN 83 SER HA 4.50 (# 215:23 Unique 2.15, 2.64 A)
&rst
ixpk= 215, nxpk= 23, iat=1241,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 GLU HN 34 GLU HA 4.50 (# 216:23 Unique 2.85, 2.85 A)
&rst
ixpk= 216, nxpk= 23, iat= 534, 536, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:217 83 SER HA 5.50 (# 217:23 Single Ambig)
&rst
ixpk= 217, nxpk= 23, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1230,1253,1218,
&end
#
# 0 AMB 23-2:220 28 THR HA 5.50 (# 220:23 Single Ambig)
&rst
ixpk= 220, nxpk= 23, iat= -1, 434, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 482, 483, 468, 469,
&end
#
# 30 GLN HG- 30 GLN HA 4.50 (# 221:23 Unique 2.53, 3.02 A)
&rst
ixpk= 221, nxpk= 23, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 468, 469,
&end
#
# 22 LEU HG 28 THR HA 5.50 (# 222:23 Unique 4.30, 4.63 A)
&rst
ixpk= 222, nxpk= 23, iat= 336, 434, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 LEU HG 97 SER HA 5.60 (# 225:23 Unique 5.63, 5.64 A)
&rst
ixpk= 225, nxpk= 23, iat= 522,1474, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 33 LEU HB- 30 GLN HA 4.50 (# 226:23 Unique 2.83, 2.93 A)
&rst
ixpk= 226, nxpk= 23, iat= -1, 463, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 519, 520,
&end
#
# 28 THR MG2 28 THR HA 4.50 (# 227:23 Unique 2.01, 3.01 A)
&rst
ixpk= 227, nxpk= 23, iat= -1, 434, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 438, 439, 440,
&end
#
# 22 LEU MDX 28 THR HA 5.50 (# 228:23 Unique 2.51, 4.11 A)
&rst
ixpk= 228, nxpk= 23, iat= -1, 434, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 22 LEU MDY 28 THR HA 5.50 (# 229:23 Unique 2.51, 4.11 A)
&rst
ixpk= 229, nxpk= 23, iat= -1, 434, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 23-2:230 37 GLU HA 4.50 (# 230:23 Single Ambig)
&rst
ixpk= 230, nxpk= 23, iat= -1, 578, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 576, 623,
&end
#
# 95 ARG HN 95 ARG HA 4.50 (# 231:23 Unique 2.77, 2.82 A)
&rst
ixpk= 231, nxpk= 23, iat=1432,1434, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:232 0 AMB 23-1:232 4.50 (# 232:23 Double Ambig)
&rst
ixpk= 232, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1336, 296, 265,
igr2=1283, 242,
&end
#
# 0 AMB 23-2:233 0 AMB 23-1:233 3.50 (# 233:23 Double Ambig)
&rst
ixpk= 233, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1281, 752, 774,1298,
igr2=1283, 754,
&end
#
# 38 SER HN 37 GLU HA 5.50 (# 234:23 Unique 3.47, 3.48 A)
&rst
ixpk= 234, nxpk= 23, iat= 591, 578, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 GLU HN 0 AMB 23-1:235 3.50 (# 235:23 Single Ambig)
&rst
ixpk= 235, nxpk= 23, iat= 240, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 242, 199,
&end
#
# 17 ALA HN 0 AMB 23-1:236 5.50 (# 236:23 Single Ambig)
&rst
ixpk= 236, nxpk= 23, iat= 255, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 242, 199,
&end
#
# 0 AMB 23-2:240 0 AMB 23-1:240 4.50 (# 240:23 Double Ambig)
&rst
ixpk= 240, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1340,1341, 146, 147, 146, 147,
igr2=1283, 199,
&end
#
# 19 ASP HB- 16 GLU HA 4.50 (# 241:23 Unique 2.55, 3.24 A)
&rst
ixpk= 241, nxpk= 23, iat= -1, 242, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 288, 289,
&end
#
# 0 AMB 23-2:244 0 AMB 23-1:244 4.50 (# 244:23 Double Ambig)
&rst
ixpk= 244, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1424,1425, 583, 584,
igr2=1419, 536,
&end
#
# 0 AMB 23-2:245 95 ARG HA 4.50 (# 245:23 Single Ambig)
&rst
ixpk= 245, nxpk= 23, iat= -1,1434, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1436,1437,1424,1425,
&end
#
# 0 AMB 23-2:247 0 AMB 23-1:247 3.50 (# 247:23 Double Ambig)
&rst
ixpk= 247, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1285,1286, 201, 202, 244, 245, 244, 245,
igr2=1283, 199, 242,
&end
#
# 37 GLU HB+ 37 GLU HA 3.50 (# 248:23 Unique 2.38, 2.73 A)
&rst
ixpk= 248, nxpk= 23, iat= -1, 578, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 580, 581,
&end
#
# 0 AMB 23-2:249 95 ARG HA 3.50 (# 249:23 Single Ambig)
&rst
ixpk= 249, nxpk= 23, iat= -1,1434, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1439,1440,1436,1437,
&end
#
# 0 AMB 23-2:250 49 LYS HA 4.50 (# 250:23 Single Ambig)
&rst
ixpk= 250, nxpk= 23, iat= -1, 754, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 759, 760, 762, 763,
&end
#
# 0 AMB 23-2:251 0 AMB 23-1:251 5.50 (# 251:23 Double Ambig)
&rst
ixpk= 251, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,1308,1309,
igr2=1283, 199,
&end
#
# 89 LEU MDX 37 GLU HA 4.50 (# 252:23 Unique 2.11, 3.62 A)
&rst
ixpk= 252, nxpk= 23, iat= -1, 578, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 LEU MDY 37 GLU HA 4.50 (# 253:23 Unique 2.11, 3.62 A)
&rst
ixpk= 253, nxpk= 23, iat= -1, 578, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 19 ASP HN 16 GLU HA 3.50 (# 254:23 Unique 3.52, 3.53 A)
&rst
ixpk= 254, nxpk= 23, iat= 284, 242, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 GLU HN 12 ARG HA 5.50 (# 255:23 Unique 3.48, 3.55 A)
&rst
ixpk= 255, nxpk= 23, iat= 197, 175, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 TYR HN 23 ARG HA 4.50 (# 256:23 Unique 3.50, 3.50 A)
&rst
ixpk= 256, nxpk= 23, iat= 372, 350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HN 12 ARG HA 5.50 (# 257:23 Unique 3.77, 4.10 A)
&rst
ixpk= 257, nxpk= 23, iat= 240, 175, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:258 94 GLU HA 5.50 (# 258:23 Single Ambig)
&rst
ixpk= 258, nxpk= 23, iat= -1,1419, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1483,1472,
&end
#
# 0 AMB 23-2:259 23 ARG HA 4.50 (# 259:23 Single Ambig)
&rst
ixpk= 259, nxpk= 23, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 348, 393,
&end
#
# 94 GLU HN 94 GLU HA 4.50 (# 260:23 Unique 2.80, 2.81 A)
&rst
ixpk= 260, nxpk= 23, iat=1417,1419, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:261 0 AMB 23-1:261 4.50 (# 261:23 Double Ambig)
&rst
ixpk= 261, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 183, 184, 358, 359,
igr2= 175, 350,
&end
#
# 0 AMB 23-2:263 0 AMB 23-1:263 5.50 (# 263:23 Double Ambig)
&rst
ixpk= 263, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 232, 233, 411, 412,
igr2= 175, 350,
&end
#
# 94 GLU HG- 94 GLU HA 4.50 (# 264:23 Unique 2.57, 3.19 A)
&rst
ixpk= 264, nxpk= 23, iat= -1,1419, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1424,1425,
&end
#
# 12 ARG HB+ 12 ARG HA 3.50 (# 265:23 Unique 2.35, 2.65 A)
&rst
ixpk= 265, nxpk= 23, iat= -1, 175, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 177, 178,
&end
#
# 12 ARG HG+ 12 ARG HA 4.50 (# 266:23 Unique 2.43, 3.49 A)
&rst
ixpk= 266, nxpk= 23, iat= -1, 175, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 180, 181,
&end
#
# 50 LEU MDY 31 GLN HA 5.50 (# 267:23 Unique 5.32, 6.80 A)
&rst
ixpk= 267, nxpk= 23, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 783, 784, 785, 787, 788, 789,
&end
#
# 37 GLU HN 33 LEU HA 4.50 (# 268:23 Unique 3.94, 4.03 A)
&rst
ixpk= 268, nxpk= 23, iat= 576, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 LEU HN 33 LEU HA 3.50 (# 269:23 Unique 2.76, 2.76 A)
&rst
ixpk= 269, nxpk= 23, iat= 515, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 LEU HN 89 LEU HA 3.50 (# 270:23 Unique 3.51, 3.53 A)
&rst
ixpk= 270, nxpk= 23, iat=1374,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 PHE HN 31 GLN HA 4.50 (# 271:23 Unique 3.54, 3.55 A)
&rst
ixpk= 271, nxpk= 23, iat= 495, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 MET HN 33 LEU HA 5.50 (# 272:23 Unique 3.95, 3.98 A)
&rst
ixpk= 272, nxpk= 23, iat= 559, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 ASN HN 89 LEU HA 4.50 (# 274:23 Unique 3.56, 3.57 A)
&rst
ixpk= 274, nxpk= 23, iat=1336,1319, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 GLU HN 31 GLN HA 4.50 (# 275:23 Unique 3.90, 3.94 A)
&rst
ixpk= 275, nxpk= 23, iat= 534, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:276 33 LEU HA 3.50 (# 276:23 Single Ambig)
&rst
ixpk= 276, nxpk= 23, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 534,1456,
&end
#
# 31 GLN HN 31 GLN HA 4.50 (# 278:23 Unique 2.78, 2.78 A)
&rst
ixpk= 278, nxpk= 23, iat= 478, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 SER HB+ 75 SER HA 4.50 (# 279:23 Unique 2.29, 2.72 A)
&rst
ixpk= 279, nxpk= 23, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1109,1110,
&end
#
# 0 AMB 23-2:280 31 GLN HA 3.50 (# 280:23 Single Ambig)
&rst
ixpk= 280, nxpk= 23, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 485, 486, 468, 469,
&end
#
# 0 AMB 23-2:281 33 LEU HA 4.50 (# 281:23 Single Ambig)
&rst
ixpk= 281, nxpk= 23, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 563, 564, 583, 584,
&end
#
# 0 AMB 23-2:282 33 LEU HA 4.50 (# 282:23 Single Ambig)
&rst
ixpk= 282, nxpk= 23, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 519, 520, 580, 581, 566, 567,1460,
&end
#
# 0 AMB 23-2:283 33 LEU HA 3.50 (# 283:23 Single Ambig)
&rst
ixpk= 283, nxpk= 23, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1381, 522, 563, 564,
&end
#
# 0 AMB 23-2:284 89 LEU HA 3.50 (# 284:23 Single Ambig)
&rst
ixpk= 284, nxpk= 23, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 563, 564, 566, 567,1381,
&end
#
# 33 LEU HB- 33 LEU HA 3.50 (# 285:23 Unique 2.64, 2.81 A)
&rst
ixpk= 285, nxpk= 23, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 519, 520,
&end
#
# 33 LEU MDY 33 LEU HA 2.80 (# 286:23 Unique 2.26, 3.86 A)
&rst
ixpk= 286, nxpk= 23, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 524, 525, 526, 528, 529, 530,
&end
#
# 0 AMB 23-2:287 75 SER HA 5.50 (# 287:23 Single Ambig)
&rst
ixpk= 287, nxpk= 23, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1095,1096,1097,1099,1100,1101,1122,1123,1124,1126,
1127,1128,1122,1123,1124,1126,1127,1128,
&end
#
# 92 LEU MDX 33 LEU HA 2.80 (# 288:23 Unique 2.10, 3.41 A)
&rst
ixpk= 288, nxpk= 23, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1383,1384,1385,1387,1388,1389,
&end
#
# 92 LEU MDY 33 LEU HA 3.50 (# 289:23 Unique 2.10, 3.41 A)
&rst
ixpk= 289, nxpk= 23, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1383,1384,1385,1387,1388,1389,
&end
#
# 22 LEU HN 22 LEU HA 3.50 (# 290:23 Unique 2.77, 2.78 A)
&rst
ixpk= 290, nxpk= 23, iat= 329, 331, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 LYS HN 62 SER HA 4.50 (# 291:23 Unique 2.14, 2.39 A)
&rst
ixpk= 291, nxpk= 23, iat= 937, 928, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 SER HN 75 SER HA 5.50 (# 292:23 Unique 2.28, 2.77 A)
&rst
ixpk= 292, nxpk= 23, iat=1105,1107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 VAL HN 92 LEU HA 5.60 (# 293:23 Unique 3.51, 3.63 A)
&rst
ixpk= 293, nxpk= 23, iat=1456,1376, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 89 LEU HN 89 LEU HA 3.50 (# 294:23 Unique 2.80, 2.81 A)
&rst
ixpk= 294, nxpk= 23, iat=1317,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 THR HN 99 SER HA 4.50 (# 295:23 Unique 2.19, 2.72 A)
&rst
ixpk= 295, nxpk= 23, iat=1501,1492, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:296 22 LEU HA 4.50 (# 296:23 Single Ambig)
&rst
ixpk= 296, nxpk= 23, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 421, 310,
&end
#
# 93 ARG HN 89 LEU HA 4.50 (# 297:23 Unique 4.05, 4.11 A)
&rst
ixpk= 297, nxpk= 23, iat=1393,1319, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 VAL HN 75 SER HA 4.50 (# 298:23 Unique 2.14, 2.46 A)
&rst
ixpk= 298, nxpk= 23, iat=1116,1107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:299 22 LEU HA 5.50 (# 299:23 Single Ambig)
&rst
ixpk= 299, nxpk= 23, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 348, 393,
&end
#
# 56 SER HB+ 56 SER HA 3.50 (# 301:23 Unique 2.26, 2.76 A)
&rst
ixpk= 301, nxpk= 23, iat= -1, 878, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 880, 881,
&end
#
# 62 SER HB+ 62 SER HA 3.50 (# 302:23 Unique 2.26, 2.67 A)
&rst
ixpk= 302, nxpk= 23, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 930, 931,
&end
#
# 22 LEU HG 22 LEU HA 5.50 (# 303:23 Unique 3.51, 3.52 A)
&rst
ixpk= 303, nxpk= 23, iat= 336, 331, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 GLN HB- 31 GLN HA 4.50 (# 305:23 Unique 2.39, 2.73 A)
&rst
ixpk= 305, nxpk= 23, iat= -1, 480, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 482, 483,
&end
#
# 0 AMB 23-2:306 89 LEU HA 3.50 (# 306:23 Single Ambig)
&rst
ixpk= 306, nxpk= 23, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1378,1379,1400,1401,
&end
#
# 22 LEU HB- 22 LEU HA 4.50 (# 307:23 Unique 2.32, 2.66 A)
&rst
ixpk= 307, nxpk= 23, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 333, 334,
&end
#
# 0 AMB 23-2:309 89 LEU HA 3.50 (# 309:23 Single Ambig)
&rst
ixpk= 309, nxpk= 23, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1324,1321,1322,
&end
#
# 25 THR MG2 22 LEU HA 5.60 (# 310:23 Unique 5.72, 6.44 A)
&rst
ixpk= 310, nxpk= 23, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 399, 400, 401,
&end
#
# 22 LEU MDX 22 LEU HA 2.80 (# 311:23 Unique 2.22, 3.87 A)
&rst
ixpk= 311, nxpk= 23, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 4 ILE MD1 3 SER HA 3.50 (# 312:23 Unique 2.92, 4.24 A)
&rst
ixpk= 312, nxpk= 23, iat= -1, 33, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 55, 56, 57,
&end
#
# 0 AMB 23-2:313 89 LEU HA 2.80 (# 313:23 Single Ambig)
&rst
ixpk= 313, nxpk= 23, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1326,1327,1328,1330,1331,1332,1304,1305,1306,
&end
#
# 22 LEU MDY 22 LEU HA 4.50 (# 314:23 Unique 2.22, 3.87 A)
&rst
ixpk= 314, nxpk= 23, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 92 LEU MDY 89 LEU HA 3.50 (# 315:23 Unique 2.87, 4.93 A)
&rst
ixpk= 315, nxpk= 23, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1383,1384,1385,1387,1388,1389,
&end
#
# 21 ILE MG2 22 LEU HA 5.50 (# 316:23 Unique 3.21, 4.34 A)
&rst
ixpk= 316, nxpk= 23, iat= -1, 331, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 316, 317, 318,
&end
#
# 92 LEU HN 92 LEU HA 4.50 (# 317:23 Unique 2.83, 2.83 A)
&rst
ixpk= 317, nxpk= 23, iat=1374,1376, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 86 GLN HN 86 GLN HA 3.50 (# 318:23 Unique 2.76, 2.77 A)
&rst
ixpk= 318, nxpk= 23, iat=1264,1266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 ARG HN 92 LEU HA 5.50 (# 319:23 Unique 3.60, 3.71 A)
&rst
ixpk= 319, nxpk= 23, iat=1432,1376, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:320 19 ASP HA 5.60 (# 320:23 Single Ambig)
&rst
ixpk= 320, nxpk= 23, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr1= 296, 265,
&end
#
# 103 SER HN 103 SER HA 4.50 (# 321:23 Unique 2.28, 2.88 A)
&rst
ixpk= 321, nxpk= 23, iat=1542,1544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 LEU HN 86 GLN HA 3.50 (# 322:23 Unique 3.50, 3.51 A)
&rst
ixpk= 322, nxpk= 23, iat=1317,1266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ARG HN 92 LEU HA 5.60 (# 324:23 Unique 3.51, 3.53 A)
&rst
ixpk= 324, nxpk= 23, iat=1393,1376, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 23-2:325 0 AMB 23-1:325 5.50 (# 325:23 Double Ambig)
&rst
ixpk= 325, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1553, 240,
igr2=1544, 230,
&end
#
# 95 ARG HD- 92 LEU HA 5.50 (# 327:23 Unique 2.74, 4.37 A)
&rst
ixpk= 327, nxpk= 23, iat= -1,1376, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1442,1443,
&end
#
# 0 AMB 23-2:328 15 ASP HA 4.50 (# 328:23 Single Ambig)
&rst
ixpk= 328, nxpk= 23, iat= -1, 230, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 232, 233, 288, 289,
&end
#
# 18 ILE HB 15 ASP HA 4.50 (# 329:23 Unique 2.73, 2.75 A)
&rst
ixpk= 329, nxpk= 23, iat= 269, 230, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:330 92 LEU HA 4.50 (# 330:23 Single Ambig)
&rst
ixpk= 330, nxpk= 23, iat= -1,1376, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1378,1379,1357,1358,
&end
#
# 0 AMB 23-2:332 15 ASP HA 4.50 (# 332:23 Single Ambig)
&rst
ixpk= 332, nxpk= 23, iat= -1, 230, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 278, 279, 280, 218, 219, 220, 222, 223, 224, 218,
219, 220, 222, 223, 224, 271, 272, 273,
&end
#
# 0 AMB 23-2:333 92 LEU HA 4.50 (# 333:23 Single Ambig)
&rst
ixpk= 333, nxpk= 23, iat= -1,1376, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1462,1463,1464,1466,1467,1468, 278, 279, 280, 271,
272, 273,
&end
#
# 92 LEU MDX 92 LEU HA 5.50 (# 335:23 Unique 2.16, 3.88 A)
&rst
ixpk= 335, nxpk= 23, iat= -1,1376, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1383,1384,1385,1387,1388,1389,
&end
#
# 92 LEU MDY 92 LEU HA 4.50 (# 336:23 Unique 2.16, 3.88 A)
&rst
ixpk= 336, nxpk= 23, iat= -1,1376, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1383,1384,1385,1387,1388,1389,
&end
#
# 0 AMB 23-2:337 36 MET HA 5.50 (# 337:23 Single Ambig)
&rst
ixpk= 337, nxpk= 23, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 623, 576,
&end
#
# 0 AMB 23-2:338 19 ASP HA 4.50 (# 338:23 Single Ambig)
&rst
ixpk= 338, nxpk= 23, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 284, 329,
&end
#
# 36 MET HN 36 MET HA 5.50 (# 339:23 Unique 2.86, 2.86 A)
&rst
ixpk= 339, nxpk= 23, iat= 559, 561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 TYR HN 81 TYR HA 5.50 (# 340:23 Unique 2.27, 2.81 A)
&rst
ixpk= 340, nxpk= 23, iat=1197,1199, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 ALA HN 15 ASP HA 5.60 (# 341:23 Unique 5.06, 5.08 A)
&rst
ixpk= 341, nxpk= 23, iat= 255, 230, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 41 GLY HA- 36 MET HA 5.60 (# 343:23 Unique 3.53, 4.41 A)
&rst
ixpk= 343, nxpk= 23, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr1= 625, 626,
&end
#
# 81 TYR HB- 81 TYR HA 4.50 (# 345:23 Unique 2.36, 2.71 A)
&rst
ixpk= 345, nxpk= 23, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1201,1202,
&end
#
# 19 ASP HB- 19 ASP HA 4.50 (# 347:23 Unique 2.35, 2.73 A)
&rst
ixpk= 347, nxpk= 23, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 288, 289,
&end
#
# 36 MET HB+ 36 MET HA 4.50 (# 348:23 Unique 2.43, 2.74 A)
&rst
ixpk= 348, nxpk= 23, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 563, 564,
&end
#
# 22 LEU HG 19 ASP HA 4.50 (# 349:23 Unique 3.99, 4.07 A)
&rst
ixpk= 349, nxpk= 23, iat= 336, 286, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:350 19 ASP HA 5.50 (# 350:23 Single Ambig)
&rst
ixpk= 350, nxpk= 23, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 352, 353, 352, 353,
&end
#
# 22 LEU HB- 19 ASP HA 5.50 (# 351:23 Unique 2.30, 3.16 A)
&rst
ixpk= 351, nxpk= 23, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 333, 334,
&end
#
# 0 AMB 23-2:352 0 AMB 23-1:352 4.50 (# 352:23 Double Ambig)
&rst
ixpk= 352, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 717, 718, 719, 759, 760,
igr2= 561, 776,
&end
#
# 22 LEU MDX 19 ASP HA 5.60 (# 355:23 Unique 3.24, 5.11 A)
&rst
ixpk= 355, nxpk= 23, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 22 LEU MDY 19 ASP HA 5.60 (# 356:23 Unique 3.24, 5.11 A)
&rst
ixpk= 356, nxpk= 23, iat= -1, 286, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 50 LEU HN 50 LEU HA 4.50 (# 357:23 Unique 2.84, 2.85 A)
&rst
ixpk= 357, nxpk= 23, iat= 774, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:358 0 AMB 23-1:358 5.50 (# 358:23 Double Ambig)
&rst
ixpk= 358, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 602, 823,
igr2= 561, 776,
&end
#
# 31 GLN HB+ 27 SER HA 5.50 (# 360:23 Unique 3.80, 4.17 A)
&rst
ixpk= 360, nxpk= 23, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 482, 483,
&end
#
# 50 LEU HB+ 50 LEU HA 4.50 (# 361:23 Unique 2.65, 2.81 A)
&rst
ixpk= 361, nxpk= 23, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 778, 779,
&end
#
# 0 AMB 23-2:362 50 LEU HA 4.50 (# 362:23 Single Ambig)
&rst
ixpk= 362, nxpk= 23, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 781, 827, 828,
&end
#
# 50 LEU MDY 50 LEU HA 4.50 (# 363:23 Unique 2.83, 4.06 A)
&rst
ixpk= 363, nxpk= 23, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 783, 784, 785, 787, 788, 789,
&end
#
# 28 THR HN 27 SER HA 4.50 (# 365:23 Unique 2.55, 2.65 A)
&rst
ixpk= 365, nxpk= 23, iat= 432, 423, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 SER HN 27 SER HA 5.50 (# 366:23 Unique 2.94, 2.95 A)
&rst
ixpk= 366, nxpk= 23, iat= 421, 423, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 SER HA 27 SER HA 2.80 (# 367:23 Unique 0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
# 27 SER HB- 27 SER HA 4.50 (# 369:23 Unique 2.26, 2.79 A)
&rst
ixpk= 369, nxpk= 23, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 425, 426,
&end
#
# 77 LYS HG+ 77 LYS HA 4.50 (# 372:23 Unique 2.39, 3.34 A)
&rst
ixpk= 372, nxpk= 23, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1139,1140,
&end
#
# 28 THR MG2 27 SER HA 5.50 (# 373:23 Unique 3.28, 5.24 A)
&rst
ixpk= 373, nxpk= 23, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 438, 439, 440,
&end
#
# 50 LEU MDY 27 SER HA 5.50 (# 374:23 Unique 4.71, 6.26 A)
&rst
ixpk= 374, nxpk= 23, iat= -1, 423, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 783, 784, 785, 787, 788, 789,
&end
#
# 0 AMB 23-2:376 77 LYS HA 5.50 (# 376:23 Single Ambig)
&rst
ixpk= 376, nxpk= 23, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1132,1161,
&end
#
# 0 AMB 23-2:379 0 AMB 23-1:379 4.50 (# 379:23 Double Ambig)
&rst
ixpk= 379, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1154, 793,
igr2=1134, 795,
&end
#
# 0 AMB 23-2:380 11 HIS HA 4.50 (# 380:23 Single Ambig)
&rst
ixpk= 380, nxpk= 23, iat= -1, 158, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 173, 126,
&end
#
# 14 VAL HN 11 HIS HA 5.60 (# 381:23 Unique 3.31, 3.49 A)
&rst
ixpk= 381, nxpk= 23, iat= 212, 158, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 94 GLU HN 91 ARG HA 5.50 (# 383:23 Unique 3.60, 3.63 A)
&rst
ixpk= 383, nxpk= 23, iat=1417,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 ARG HD+ 91 ARG HA 4.50 (# 385:23 Unique 2.00, 2.96 A)
&rst
ixpk= 385, nxpk= 23, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1360,1361,
&end
#
# 11 HIS HB- 11 HIS HA 4.50 (# 387:23 Unique 2.37, 2.61 A)
&rst
ixpk= 387, nxpk= 23, iat= -1, 158, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 160, 161,
&end
#
# 91 ARG HD- 91 ARG HA 4.50 (# 388:23 Unique 2.00, 2.96 A)
&rst
ixpk= 388, nxpk= 23, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1360,1361,
&end
#
# 0 AMB 23-2:390 11 HIS HA 5.50 (# 390:23 Single Ambig)
&rst
ixpk= 390, nxpk= 23, iat= -1, 158, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 216, 201, 202,
&end
#
# 91 ARG HB+ 91 ARG HA 4.50 (# 391:23 Unique 2.39, 2.77 A)
&rst
ixpk= 391, nxpk= 23, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1354,1355,
&end
#
# 0 AMB 23-2:392 0 AMB 23-1:392 4.50 (# 392:23 Double Ambig)
&rst
ixpk= 392, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1136,1137, 800,
igr2=1134, 795,
&end
#
# 0 AMB 23-2:393 51 LEU HA 4.50 (# 393:23 Single Ambig)
&rst
ixpk= 393, nxpk= 23, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 797, 798, 830, 831,
&end
#
# 77 LYS HG+ 77 LYS HA 4.50 (# 394:23 Unique 2.39, 3.34 A)
&rst
ixpk= 394, nxpk= 23, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1139,1140,
&end
#
# 0 AMB 23-2:395 11 HIS HA 4.50 (# 395:23 Single Ambig)
&rst
ixpk= 395, nxpk= 23, iat= -1, 158, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
&end
#
# 18 ILE MD1 91 ARG HA 5.50 (# 396:23 Unique 6.04, 6.55 A)
&rst
ixpk= 396, nxpk= 23, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 278, 279, 280,
&end
#
# 51 LEU MDY 51 LEU HA 4.50 (# 397:23 Unique 2.00, 3.70 A)
&rst
ixpk= 397, nxpk= 23, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 92 LEU HN 91 ARG HA 5.60 (# 398:23 Unique 3.50, 3.50 A)
&rst
ixpk= 398, nxpk= 23, iat=1374,1352, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 23-2:399 72 LYS HA 3.50 (# 399:23 Single Ambig)
&rst
ixpk= 399, nxpk= 23, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1074,1052,
&end
#
# 54 GLN HN 53 LYS HA 4.50 (# 400:23 Unique 2.48, 3.00 A)
&rst
ixpk= 400, nxpk= 23, iat= 845, 825, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 LYS HN 51 LEU HA 5.50 (# 401:23 Unique 3.59, 4.00 A)
&rst
ixpk= 401, nxpk= 23, iat= 823, 795, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:404 79 MET HA 3.50 (# 404:23 Single Ambig)
&rst
ixpk= 404, nxpk= 23, iat= -1,1163, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1168,1169,1168,1169,
&end
#
# 95 ARG HB+ 91 ARG HA 5.60 (# 406:23 Unique 4.33, 4.90 A)
&rst
ixpk= 406, nxpk= 23, iat= -1,1352, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr1=1436,1437,
&end
#
# 53 LYS HB+ 53 LYS HA 3.50 (# 407:23 Unique 2.33, 2.57 A)
&rst
ixpk= 407, nxpk= 23, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 827, 828,
&end
#
# 72 LYS HG+ 72 LYS HA 4.50 (# 408:23 Unique 2.04, 2.94 A)
&rst
ixpk= 408, nxpk= 23, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1059,1060,
&end
#
# 90 ASN HN 90 ASN HA 3.50 (# 410:23 Unique 2.77, 2.77 A)
&rst
ixpk= 410, nxpk= 23, iat=1336,1338, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 LEU HN 63 LYS HA 4.50 (# 411:23 Unique 2.15, 2.50 A)
&rst
ixpk= 411, nxpk= 23, iat= 959, 939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:417 0 AMB 23-1:417 3.50 (# 417:23 Double Ambig)
&rst
ixpk= 417, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 941, 942,1032,1033,
igr2= 939,1030,
&end
#
# 64 LEU HG 63 LYS HA 4.50 (# 418:23 Unique 3.30, 4.13 A)
&rst
ixpk= 418, nxpk= 23, iat= 966, 939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 THR HN 54 GLN HA 4.50 (# 419:23 Unique 2.17, 2.90 A)
&rst
ixpk= 419, nxpk= 23, iat= 862, 847, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 LYS HN 46 ALA HA 5.50 (# 420:23 Unique 3.52, 3.55 A)
&rst
ixpk= 420, nxpk= 23, iat= 752, 715, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 54 GLN HN 54 GLN HA 5.50 (# 421:23 Unique 2.27, 2.72 A)
&rst
ixpk= 421, nxpk= 23, iat= 845, 847, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ARG HD+ 90 ASN HA 4.50 (# 423:23 Unique 2.45, 4.08 A)
&rst
ixpk= 423, nxpk= 23, iat= -1,1338, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1403,1404,
&end
#
# 90 ASN HB+ 90 ASN HA 4.50 (# 424:23 Unique 2.38, 2.81 A)
&rst
ixpk= 424, nxpk= 23, iat= -1,1338, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1340,1341,
&end
#
# 54 GLN HG+ 54 GLN HA 4.50 (# 425:23 Unique 2.03, 2.90 A)
&rst
ixpk= 425, nxpk= 23, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 852, 853,
&end
#
# 54 GLN HB- 54 GLN HA 4.50 (# 427:23 Unique 2.38, 2.79 A)
&rst
ixpk= 427, nxpk= 23, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 849, 850,
&end
#
# 0 AMB 23-2:428 54 GLN HA 5.60 (# 428:23 Single Ambig)
&rst
ixpk= 428, nxpk= 23, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1= 830, 831, 797, 798,
&end
#
# 80 LEU HB+ 80 LEU HA 4.50 (# 429:23 Unique 2.35, 2.74 A)
&rst
ixpk= 429, nxpk= 23, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1182,1183,
&end
#
# 55 THR MG2 54 GLN HA 4.50 (# 430:23 Unique 3.23, 5.07 A)
&rst
ixpk= 430, nxpk= 23, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 868, 869, 870,
&end
#
# 80 LEU MDX 80 LEU HA 4.50 (# 432:23 Unique 2.20, 4.15 A)
&rst
ixpk= 432, nxpk= 23, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1187,1188,1189,1191,1192,1193,
&end
#
# 0 AMB 23-2:433 46 ALA HA 5.50 (# 433:23 Single Ambig)
&rst
ixpk= 433, nxpk= 23, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 723, 559,
&end
#
# 46 ALA HN 46 ALA HA 4.50 (# 434:23 Unique 2.81, 2.83 A)
&rst
ixpk= 434, nxpk= 23, iat= 713, 715, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:435 82 ASP HA 4.50 (# 435:23 Single Ambig)
&rst
ixpk= 435, nxpk= 23, iat= -1,1220, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1230,1218,
&end
#
# 82 ASP HB+ 82 ASP HA 4.50 (# 436:23 Unique 2.35, 2.77 A)
&rst
ixpk= 436, nxpk= 23, iat= -1,1220, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1222,1223,
&end
#
# 82 ASP HB- 82 ASP HA 4.50 (# 437:23 Unique 2.35, 2.77 A)
&rst
ixpk= 437, nxpk= 23, iat= -1,1220, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1222,1223,
&end
#
# 102 GLN HB+ 102 GLN HA 5.50 (# 439:23 Unique 2.37, 2.76 A)
&rst
ixpk= 439, nxpk= 23, iat= -1,1527, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1529,1530,
&end
#
# 0 AMB 23-2:440 46 ALA HA 4.50 (# 440:23 Single Ambig)
&rst
ixpk= 440, nxpk= 23, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 756, 757, 778, 779,
&end
#
# 102 GLN HB- 102 GLN HA 4.50 (# 441:23 Unique 2.37, 2.76 A)
&rst
ixpk= 441, nxpk= 23, iat= -1,1527, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1529,1530,
&end
#
# 0 AMB 23-2:442 46 ALA HA 4.50 (# 442:23 Single Ambig)
&rst
ixpk= 442, nxpk= 23, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 553, 554, 555, 762, 763,
&end
#
# 46 ALA MB 46 ALA HA 3.50 (# 443:23 Unique 2.22, 2.63 A)
&rst
ixpk= 443, nxpk= 23, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 717, 718, 719,
&end
#
# 39 THR MG2 46 ALA HA 4.50 (# 444:23 Unique 2.14, 3.28 A)
&rst
ixpk= 444, nxpk= 23, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 608, 609, 610,
&end
#
# 45 ILE MG2 46 ALA HA 5.50 (# 445:23 Unique 3.72, 4.81 A)
&rst
ixpk= 445, nxpk= 23, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 700, 701, 702,
&end
#
# 51 LEU HN 48 ALA HA 4.50 (# 446:23 Unique 3.52, 3.63 A)
&rst
ixpk= 446, nxpk= 23, iat= 793, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 LYS HN 48 ALA HA 4.50 (# 447:23 Unique 3.52, 3.53 A)
&rst
ixpk= 447, nxpk= 23, iat= 752, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ALA HN 48 ALA HA 4.50 (# 449:23 Unique 2.85, 2.85 A)
&rst
ixpk= 449, nxpk= 23, iat= 742, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:451 17 ALA HA 3.50 (# 451:23 Single Ambig)
&rst
ixpk= 451, nxpk= 23, iat= -1, 257, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 300, 301, 288, 289,
&end
#
# 36 MET HG+ 35 ALA HA 5.50 (# 452:23 Unique 5.26, 6.12 A)
&rst
ixpk= 452, nxpk= 23, iat= -1, 551, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 566, 567,
&end
#
# 51 LEU HB+ 48 ALA HA 4.50 (# 453:23 Unique 2.81, 3.63 A)
&rst
ixpk= 453, nxpk= 23, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 48 ALA MB 48 ALA HA 3.50 (# 454:23 Unique 2.29, 2.63 A)
&rst
ixpk= 454, nxpk= 23, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 746, 747, 748,
&end
#
# 0 AMB 23-2:455 0 AMB 23-1:455 3.50 (# 455:23 Double Ambig)
&rst
ixpk= 455, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1095,1096,1097,1099,1100,1101,1095,1096,1097,1099,
1100,1101, 323, 324, 325,
igr2=1088, 257,
&end
#
# 0 AMB 23-2:457 17 ALA HA 5.50 (# 457:23 Single Ambig)
&rst
ixpk= 457, nxpk= 23, iat= -1, 257, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 296, 265,
&end
#
# 75 SER HN 74 LEU HA 5.50 (# 458:23 Unique 2.14, 2.46 A)
&rst
ixpk= 458, nxpk= 23, iat=1105,1088, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 LEU HN 64 LEU HA 5.50 (# 459:23 Unique 2.27, 2.78 A)
&rst
ixpk= 459, nxpk= 23, iat= 959, 961, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 ALA HN 35 ALA HA 4.50 (# 460:23 Unique 2.78, 2.79 A)
&rst
ixpk= 460, nxpk= 23, iat= 549, 551, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 ALA HN 17 ALA HA 4.50 (# 462:23 Unique 2.75, 2.75 A)
&rst
ixpk= 462, nxpk= 23, iat= 255, 257, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASN HB+ 17 ALA HA 4.50 (# 466:23 Unique 2.81, 3.16 A)
&rst
ixpk= 466, nxpk= 23, iat= -1, 257, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 300, 301,
&end
#
# 0 AMB 23-2:469 64 LEU HA 4.50 (# 469:23 Single Ambig)
&rst
ixpk= 469, nxpk= 23, iat= -1, 961, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 963, 964, 966,
&end
#
# 0 AMB 23-2:470 0 AMB 23-1:470 3.50 (# 470:23 Double Ambig)
&rst
ixpk= 470, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1093, 259, 260, 261,
igr2=1088, 257,
&end
#
# 74 LEU HB- 74 LEU HA 4.50 (# 471:23 Unique 2.28, 2.81 A)
&rst
ixpk= 471, nxpk= 23, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1090,1091,
&end
#
# 64 LEU MDY 64 LEU HA 4.50 (# 472:23 Unique 2.07, 4.31 A)
&rst
ixpk= 472, nxpk= 23, iat= -1, 961, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 968, 969, 970, 972, 973, 974,
&end
#
# 51 LEU MDX 48 ALA HA 4.50 (# 473:23 Unique 3.57, 5.57 A)
&rst
ixpk= 473, nxpk= 23, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 42 ARG HN 42 ARG HA 4.50 (# 474:23 Unique 2.78, 2.81 A)
&rst
ixpk= 474, nxpk= 23, iat= 630, 632, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ARG HD+ 42 ARG HA 5.50 (# 476:23 Unique 2.46, 3.03 A)
&rst
ixpk= 476, nxpk= 23, iat= -1, 632, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 640, 641,
&end
#
# 43 VAL MGX 42 ARG HA 5.50 (# 477:23 Unique 3.85, 5.76 A)
&rst
ixpk= 477, nxpk= 23, iat= -1, 632, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 43 VAL HN 42 ARG HA 4.50 (# 478:23 Unique 2.14, 2.16 A)
&rst
ixpk= 478, nxpk= 23, iat= 654, 632, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ARG HB+ 42 ARG HA 4.50 (# 479:23 Unique 2.51, 2.79 A)
&rst
ixpk= 479, nxpk= 23, iat= -1, 632, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 634, 635,
&end
#
# 42 ARG HG+ 42 ARG HA 4.50 (# 480:23 Unique 2.47, 3.13 A)
&rst
ixpk= 480, nxpk= 23, iat= -1, 632, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 637, 638,
&end
#
# 73 ASP HN 73 ASP HA 4.50 (# 481:23 Unique 2.28, 2.88 A)
&rst
ixpk= 481, nxpk= 23, iat=1074,1076, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 LEU HN 73 ASP HA 4.50 (# 482:23 Unique 2.14, 2.42 A)
&rst
ixpk= 482, nxpk= 23, iat=1086,1076, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:483 73 ASP HA 4.50 (# 483:23 Single Ambig)
&rst
ixpk= 483, nxpk= 23, iat= -1,1076, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1078,1079,1078,1079,
&end
#
# 74 LEU MDX 73 ASP HA 5.50 (# 484:23 Unique 3.43, 6.35 A)
&rst
ixpk= 484, nxpk= 23, iat= -1,1076, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1095,1096,1097,1099,1100,1101,
&end
#
# 27 SER HN 26 ASN HA 4.50 (# 486:23 Unique 2.58, 2.60 A)
&rst
ixpk= 486, nxpk= 23, iat= 421, 409, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 ASN HN 26 ASN HA 3.50 (# 487:23 Unique 2.27, 2.27 A)
&rst
ixpk= 487, nxpk= 23, iat= 407, 409, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 ASN HB+ 26 ASN HA 4.50 (# 488:23 Unique 2.37, 2.79 A)
&rst
ixpk= 488, nxpk= 23, iat= -1, 409, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 411, 412,
&end
#
# 26 ASN HB- 26 ASN HA 4.50 (# 489:23 Unique 2.37, 2.79 A)
&rst
ixpk= 489, nxpk= 23, iat= -1, 409, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 411, 412,
&end
#
# 10 ASN HN 10 ASN HA 5.60 (# 491:23 Unique 2.27, 2.73 A)
&rst
ixpk= 491, nxpk= 23, iat= 142, 144, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 23-2:492 10 ASN HA 4.50 (# 492:23 Single Ambig)
&rst
ixpk= 492, nxpk= 23, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 146, 147, 146, 147,
&end
#
# 101 ALA HN 101 ALA HA 3.50 (# 494:23 Unique 2.28, 2.71 A)
&rst
ixpk= 494, nxpk= 23, iat=1515,1517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 ALA MB 101 ALA HA 4.50 (# 496:23 Unique 2.22, 2.63 A)
&rst
ixpk= 496, nxpk= 23, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1519,1520,1521,
&end
#
# 41 GLY HN 40 GLY HA- 3.50 (# 516:23 Unique 2.90, 3.26 A)
&rst
ixpk= 516, nxpk= 23, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 618, 619,
&end
#
# 40 GLY HN 40 GLY HA- 4.50 (# 518:23 Unique 2.38, 2.70 A)
&rst
ixpk= 518, nxpk= 23, iat= 616, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 618, 619,
&end
#
# 41 GLY HN 40 GLY HA+ 3.50 (# 521:23 Unique 2.90, 3.26 A)
&rst
ixpk= 521, nxpk= 23, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 618, 619,
&end
#
# 41 GLY HA+ 41 GLY HA- 3.50 (# 522:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 78 GLY HA- 78 GLY HA- 2.80 (# 523:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 41 GLY HN 41 GLY HA+ 4.50 (# 525:23 Unique 2.32, 2.69 A)
&rst
ixpk= 525, nxpk= 23, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 625, 626,
&end
#
# 41 GLY HN 41 GLY HA- 4.50 (# 526:23 Unique 2.32, 2.69 A)
&rst
ixpk= 526, nxpk= 23, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 625, 626,
&end
#
# 78 GLY HN 78 GLY HA- 5.50 (# 527:23 Unique 2.31, 2.72 A)
&rst
ixpk= 527, nxpk= 23, iat=1154, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1156,1157,
&end
#
# 99 SER HN 98 GLY HA+ 3.50 (# 528:23 Unique 2.14, 2.81 A)
&rst
ixpk= 528, nxpk= 23, iat=1490, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1485,1486,
&end
#
# 79 MET HN 78 GLY HA- 5.50 (# 529:23 Unique 2.14, 2.68 A)
&rst
ixpk= 529, nxpk= 23, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1156,1157,
&end
#
# 98 GLY HN 98 GLY HA+ 4.50 (# 530:23 Unique 2.31, 2.70 A)
&rst
ixpk= 530, nxpk= 23, iat=1483, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1485,1486,
&end
#
# 42 ARG HN 41 GLY HA- 5.50 (# 531:23 Unique 2.91, 3.24 A)
&rst
ixpk= 531, nxpk= 23, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 625, 626,
&end
#
# 78 GLY HA- 78 GLY HA- 2.80 (# 532:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 36 MET HB+ 41 GLY HA- 5.60 (# 535:23 Unique 2.23, 3.96 A)
&rst
ixpk= 535, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1= 563, 564,
igr2= 625, 626,
&end
#
# 0 AMB 23-2:536 0 AMB 23-1:536 5.50 (# 536:23 Double Ambig)
&rst
ixpk= 536, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 637, 638,1378,1379,
igr2= 625, 626, 625, 626,
&end
#
# 0 AMB 23-2:537 41 GLY HA- 4.50 (# 537:23 Single Ambig)
&rst
ixpk= 537, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 637, 638,1378,1379,
igr2= 625, 626,
&end
#
# 0 AMB 23-2:538 41 GLY HA- 5.50 (# 538:23 Single Ambig)
&rst
ixpk= 538, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 563, 564, 566, 567,
igr2= 625, 626,
&end
#
# 0 AMB 23-2:539 41 GLY HA- 5.60 (# 539:23 Single Ambig)
&rst
ixpk= 539, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
igr1=1324,1321,1322,
igr2= 625, 626,
&end
#
# 89 LEU MDX 41 GLY HA+ 4.50 (# 540:23 Unique 2.02, 4.16 A)
&rst
ixpk= 540, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1326,1327,1328,1330,1331,1332,
igr2= 625, 626,
&end
#
# 89 LEU MDX 41 GLY HA- 4.50 (# 541:23 Unique 2.02, 4.16 A)
&rst
ixpk= 541, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1326,1327,1328,1330,1331,1332,
igr2= 625, 626,
&end
#
# 0 AMB 23-2:547 95 ARG HD- 4.50 (# 547:23 Single Ambig)
&rst
ixpk= 547, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1376,1458,
igr2=1442,1443,
&end
#
# 95 ARG HD+ 95 ARG HD+ 3.50 (# 548:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 95 ARG HD+ 95 ARG HD- 4.50 (# 549:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 95 ARG HB+ 95 ARG HD+ 5.50 (# 552:23 Unique 2.09, 2.86 A)
&rst
ixpk= 552, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1436,1437,
igr2=1442,1443,
&end
#
# 95 ARG HB+ 95 ARG HD- 5.50 (# 553:23 Unique 2.09, 2.86 A)
&rst
ixpk= 553, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1436,1437,
igr2=1442,1443,
&end
#
# 0 AMB 23-2:554 0 AMB 23-1:554 4.50 (# 554:23 Double Ambig)
&rst
ixpk= 554, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1436,1437,1439,1440,
igr2=1442,1443,1442,1443,
&end
#
# 0 AMB 23-2:555 95 ARG HD- 4.50 (# 555:23 Single Ambig)
&rst
ixpk= 555, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1436,1437,1439,1440,
igr2=1442,1443,
&end
#
# 91 ARG HG- 95 ARG HD+ 5.50 (# 556:23 Unique 2.07, 4.74 A)
&rst
ixpk= 556, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1357,1358,
igr2=1442,1443,
&end
#
# 91 ARG HG- 95 ARG HD- 5.50 (# 557:23 Unique 2.07, 4.74 A)
&rst
ixpk= 557, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1357,1358,
igr2=1442,1443,
&end
#
# 0 AMB 23-2:558 0 AMB 23-1:558 5.50 (# 558:23 Double Ambig)
&rst
ixpk= 558, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 278, 279, 280, 271, 272, 273,
igr2=1442,1443,1442,1443,
&end
#
# 0 AMB 23-2:559 95 ARG HD- 4.50 (# 559:23 Single Ambig)
&rst
ixpk= 559, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 278, 279, 280, 271, 272, 273,
igr2=1442,1443,
&end
#
# 93 ARG HN 93 ARG HD+ 5.50 (# 562:23 Unique 3.37, 4.53 A)
&rst
ixpk= 562, nxpk= 23, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1403,1404,
&end
#
# 90 ASN HA 93 ARG HD+ 4.50 (# 565:23 Unique 2.45, 4.08 A)
&rst
ixpk= 565, nxpk= 23, iat=1338, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1403,1404,
&end
#
# 93 ARG HA 93 ARG HD+ 5.50 (# 566:23 Unique 4.30, 4.44 A)
&rst
ixpk= 566, nxpk= 23, iat=1395, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1403,1404,
&end
#
# 0 AMB 23-2:567 0 AMB 23-1:567 3.50 (# 567:23 Double Ambig)
&rst
ixpk= 567, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1397,1398,1400,1401,1321,1322,
igr2=1403,1404,1403,1404,1403,1404,
&end
#
# 93 ARG HG- 93 ARG HD+ 4.50 (# 568:23 Unique 2.23, 2.71 A)
&rst
ixpk= 568, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1400,1401,
igr2=1403,1404,
&end
#
# 0 AMB 23-2:569 0 AMB 23-1:569 4.50 (# 569:23 Double Ambig)
&rst
ixpk= 569, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1321,1322,1324,
igr2=1403,1404,1403,1404,
&end
#
# 0 AMB 23-2:570 0 AMB 23-1:570 4.50 (# 570:23 Double Ambig)
&rst
ixpk= 570, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1326,1327,1328,1330,1331,1332, 524, 525, 526, 528,
529, 530,
igr2=1403,1404,1403,1404,
&end
#
# 42 ARG HA 42 ARG HD+ 3.50 (# 572:23 Unique 2.46, 3.03 A)
&rst
ixpk= 572, nxpk= 23, iat= 632, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 640, 641,
&end
#
# 85 SER HB+ 42 ARG HD+ 5.50 (# 573:23 Unique 3.06, 4.74 A)
&rst
ixpk= 573, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1257,1258,
igr2= 640, 641,
&end
#
# 42 ARG HB+ 42 ARG HD+ 3.50 (# 574:23 Unique 1.97, 3.09 A)
&rst
ixpk= 574, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 634, 635,
igr2= 640, 641,
&end
#
# 45 ILE MD1 42 ARG HD+ 3.50 (# 576:23 Unique 3.18, 5.22 A)
&rst
ixpk= 576, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 707, 708, 709,
igr2= 640, 641,
&end
#
# 92 LEU HN 92 LEU HB+ 4.50 (# 577:23 Unique 2.28, 2.52 A)
&rst
ixpk= 577, nxpk= 23, iat=1374, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1378,1379,
&end
#
# 92 LEU HN 92 LEU HB- 4.50 (# 578:23 Unique 2.28, 2.52 A)
&rst
ixpk= 578, nxpk= 23, iat=1374, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1378,1379,
&end
#
# 93 ARG HN 92 LEU HB- 5.50 (# 579:23 Unique 2.64, 3.36 A)
&rst
ixpk= 579, nxpk= 23, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1378,1379,
&end
#
# 93 ARG HN 92 LEU HB+ 5.50 (# 580:23 Unique 2.64, 3.36 A)
&rst
ixpk= 580, nxpk= 23, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1378,1379,
&end
#
# 71 ARG HA 71 ARG HD+ 5.50 (# 582:23 Unique 2.09, 4.02 A)
&rst
ixpk= 582, nxpk= 23, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1038,1039,
&end
#
# 12 ARG HA 12 ARG HD+ 4.50 (# 583:23 Unique 2.10, 3.62 A)
&rst
ixpk= 583, nxpk= 23, iat= 175, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 183, 184,
&end
#
# 92 LEU HA 92 LEU HB+ 5.50 (# 585:23 Unique 2.34, 2.68 A)
&rst
ixpk= 585, nxpk= 23, iat=1376, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1378,1379,
&end
#
# 92 LEU HA 92 LEU HB- 5.50 (# 586:23 Unique 2.34, 2.68 A)
&rst
ixpk= 586, nxpk= 23, iat=1376, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1378,1379,
&end
#
# 89 LEU HA 92 LEU HB+ 5.50 (# 587:23 Unique 2.34, 2.96 A)
&rst
ixpk= 587, nxpk= 23, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1378,1379,
&end
#
# 89 LEU HA 92 LEU HB- 5.50 (# 588:23 Unique 2.34, 2.96 A)
&rst
ixpk= 588, nxpk= 23, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1378,1379,
&end
#
# 44 ARG HG+ 42 ARG HD+ 2.80 (# 591:23 Unique 2.59, 3.65 A)
&rst
ixpk= 591, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 677, 678,
igr2= 640, 641,
&end
#
# 12 ARG HG+ 12 ARG HD+ 3.50 (# 592:23 Unique 2.22, 2.61 A)
&rst
ixpk= 592, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 180, 181,
igr2= 183, 184,
&end
#
# 92 LEU HB- 92 LEU HB+ 3.50 (# 593:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 92 LEU HB- 92 LEU HB- 3.50 (# 594:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 0 AMB 23-2:596 0 AMB 23-1:596 4.50 (# 596:23 Double Ambig)
&rst
ixpk= 596, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 278, 279, 280, 271, 272, 273,
igr2=1378,1379,1378,1379,
&end
#
# 0 AMB 23-2:597 92 LEU HB- 5.50 (# 597:23 Single Ambig)
&rst
ixpk= 597, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 278, 279, 280, 271, 272, 273,
igr2=1378,1379,
&end
#
# 0 AMB 23-2:599 0 AMB 23-1:599 4.50 (# 599:23 Double Ambig)
&rst
ixpk= 599, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.53, r4=10.28,
igr1=1326,1327,1328,1330,1331,1332, 524, 525, 526, 528,
529, 530,1311,1312,1313,
igr2=1378,1379,1378,1379,1378,1379,
&end
#
# 0 AMB 23-2:600 92 LEU HB- 5.50 (# 600:23 Single Ambig)
&rst
ixpk= 600, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=1326,1327,1328,1330,1331,1332, 524, 525, 526, 528,
529, 530,1311,1312,1313,
igr2=1378,1379,
&end
#
# 92 LEU MDX 92 LEU HB+ 4.50 (# 602:23 Unique 2.26, 3.29 A)
&rst
ixpk= 602, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1383,1384,1385,1387,1388,1389,
igr2=1378,1379,
&end
#
# 92 LEU MDX 92 LEU HB- 4.50 (# 603:23 Unique 2.26, 3.29 A)
&rst
ixpk= 603, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1383,1384,1385,1387,1388,1389,
igr2=1378,1379,
&end
#
# 92 LEU MDY 92 LEU HB+ 4.50 (# 604:23 Unique 2.26, 3.29 A)
&rst
ixpk= 604, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1383,1384,1385,1387,1388,1389,
igr2=1378,1379,
&end
#
# 92 LEU MDY 92 LEU HB- 4.50 (# 605:23 Unique 2.26, 3.29 A)
&rst
ixpk= 605, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1383,1384,1385,1387,1388,1389,
igr2=1378,1379,
&end
#
# 91 ARG HA 91 ARG HD+ 4.50 (# 608:23 Unique 2.00, 2.96 A)
&rst
ixpk= 608, nxpk= 23, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1360,1361,
&end
#
# 91 ARG HA 91 ARG HD- 4.50 (# 609:23 Unique 2.00, 2.96 A)
&rst
ixpk= 609, nxpk= 23, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1360,1361,
&end
#
# 91 ARG HD+ 91 ARG HD+ 3.50 (# 610:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 91 ARG HD+ 91 ARG HD- 4.50 (# 611:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 91 ARG HD- 91 ARG HD+ 4.50 (# 612:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 95 ARG HB+ 91 ARG HD+ 5.50 (# 613:23 Unique 2.13, 5.24 A)
&rst
ixpk= 613, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1436,1437,
igr2=1360,1361,
&end
#
# 91 ARG HB+ 91 ARG HD+ 4.50 (# 615:23 Unique 2.07, 3.27 A)
&rst
ixpk= 615, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1354,1355,
igr2=1360,1361,
&end
#
# 91 ARG HB+ 91 ARG HD- 4.50 (# 616:23 Unique 2.07, 3.27 A)
&rst
ixpk= 616, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1354,1355,
igr2=1360,1361,
&end
#
# 91 ARG HG+ 91 ARG HD+ 4.50 (# 617:23 Unique 2.22, 2.69 A)
&rst
ixpk= 617, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1357,1358,
igr2=1360,1361,
&end
#
# 91 ARG HG+ 91 ARG HD- 4.50 (# 618:23 Unique 2.22, 2.69 A)
&rst
ixpk= 618, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1357,1358,
igr2=1360,1361,
&end
#
# 91 ARG HG- 91 ARG HD+ 5.50 (# 620:23 Unique 2.22, 2.69 A)
&rst
ixpk= 620, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1357,1358,
igr2=1360,1361,
&end
#
# 91 ARG HG- 91 ARG HD- 5.50 (# 621:23 Unique 2.22, 2.69 A)
&rst
ixpk= 621, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1357,1358,
igr2=1360,1361,
&end
#
# 0 AMB 23-2:622 0 AMB 23-1:622 5.50 (# 622:23 Double Ambig)
&rst
ixpk= 622, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.64, r4=12.39,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224, 278, 279, 280,
igr2=1360,1361,1360,1361,1360,1361,
&end
#
# 0 AMB 23-2:623 91 ARG HD- 5.50 (# 623:23 Single Ambig)
&rst
ixpk= 623, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224, 278, 279, 280,
igr2=1360,1361,
&end
#
# 53 LYS HB- 53 LYS HE+ 5.50 (# 628:23 Unique 2.07, 3.66 A)
&rst
ixpk= 628, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 827, 828,
igr2= 836, 837,
&end
#
# 53 LYS HD+ 53 LYS HE+ 4.50 (# 629:23 Unique 2.22, 2.69 A)
&rst
ixpk= 629, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 833, 834,
igr2= 836, 837,
&end
#
# 53 LYS HG+ 53 LYS HE+ 4.50 (# 630:23 Unique 2.00, 3.19 A)
&rst
ixpk= 630, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 830, 831,
igr2= 836, 837,
&end
#
# 90 ASN HN 89 LEU HB- 3.50 (# 632:23 Unique 2.25, 2.86 A)
&rst
ixpk= 632, nxpk= 23, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1321,1322,
&end
#
# 90 ASN HN 89 LEU HB+ 3.50 (# 633:23 Unique 2.25, 2.86 A)
&rst
ixpk= 633, nxpk= 23, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1321,1322,
&end
#
# 51 LEU HN 51 LEU HB- 3.50 (# 634:23 Unique 2.31, 2.95 A)
&rst
ixpk= 634, nxpk= 23, iat= 793, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 797, 798,
&end
#
# 89 LEU HN 89 LEU HB+ 3.50 (# 635:23 Unique 2.06, 2.53 A)
&rst
ixpk= 635, nxpk= 23, iat=1317, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1321,1322,
&end
#
# 0 AMB 23-2:636 0 AMB 23-1:636 3.50 (# 636:23 Double Ambig)
&rst
ixpk= 636, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1317,1105,
igr2=1321,1322,1090,1091,
&end
#
# 74 LEU HN 74 LEU HB- 4.50 (# 637:23 Unique 2.05, 2.86 A)
&rst
ixpk= 637, nxpk= 23, iat=1086, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1090,1091,
&end
#
# 52 SER HN 51 LEU HB+ 5.60 (# 639:23 Unique 2.70, 3.32 A)
&rst
ixpk= 639, nxpk= 23, iat= 812, -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr2= 797, 798,
&end
#
# 80 LEU HA 80 LEU HB+ 3.50 (# 641:23 Unique 2.35, 2.74 A)
&rst
ixpk= 641, nxpk= 23, iat=1180, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1182,1183,
&end
#
# 51 LEU HA 51 LEU HB- 3.50 (# 642:23 Unique 2.52, 2.77 A)
&rst
ixpk= 642, nxpk= 23, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 797, 798,
&end
#
# 51 LEU HA 51 LEU HB+ 4.50 (# 643:23 Unique 2.52, 2.77 A)
&rst
ixpk= 643, nxpk= 23, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 797, 798,
&end
#
# 0 AMB 23-2:644 0 AMB 23-1:644 3.50 (# 644:23 Double Ambig)
&rst
ixpk= 644, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 754, 744,
igr2= 765, 766, 765, 766,
&end
#
# 89 LEU HA 89 LEU HB- 4.50 (# 645:23 Unique 2.58, 2.80 A)
&rst
ixpk= 645, nxpk= 23, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1321,1322,
&end
#
# 49 LYS HB+ 49 LYS HE+ 4.50 (# 646:23 Unique 2.86, 4.43 A)
&rst
ixpk= 646, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 756, 757,
igr2= 765, 766,
&end
#
# 51 LEU HB+ 51 LEU HB- 3.50 (# 649:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 51 LEU HG 51 LEU HB+ 3.50 (# 650:23 Unique 2.42, 2.72 A)
&rst
ixpk= 650, nxpk= 23, iat= 800, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 797, 798,
&end
#
# 49 LYS HD+ 49 LYS HE+ 3.50 (# 651:23 Unique 2.38, 2.57 A)
&rst
ixpk= 651, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 762, 763,
igr2= 765, 766,
&end
#
# 49 LYS HG- 49 LYS HE+ 3.50 (# 656:23 Unique 2.34, 3.44 A)
&rst
ixpk= 656, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 759, 760,
igr2= 765, 766,
&end
#
# 39 THR MG2 49 LYS HE+ 4.50 (# 661:23 Unique 3.79, 5.18 A)
&rst
ixpk= 661, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 608, 609, 610,
igr2= 765, 766,
&end
#
# 45 ILE MG2 49 LYS HE+ 5.50 (# 662:23 Unique 2.00, 3.20 A)
&rst
ixpk= 662, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 700, 701, 702,
igr2= 765, 766,
&end
#
# 0 AMB 23-2:663 0 AMB 23-1:663 3.50 (# 663:23 Double Ambig)
&rst
ixpk= 663, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1326,1327,1328,1330,1331,1332, 802, 803, 804, 806,
807, 808,
igr2=1321,1322, 797, 798,
&end
#
# 51 LEU MDX 51 LEU HB- 2.80 (# 664:23 Unique 2.32, 3.29 A)
&rst
ixpk= 664, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 797, 798,
&end
#
# 74 LEU MDX 74 LEU HB- 2.80 (# 667:23 Unique 2.02, 3.33 A)
&rst
ixpk= 667, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1095,1096,1097,1099,1100,1101,
igr2=1090,1091,
&end
#
# 89 LEU HA 89 LEU HB+ 5.50 (# 668:23 Unique 2.58, 2.80 A)
&rst
ixpk= 668, nxpk= 23, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1321,1322,
&end
#
# 84 ASP HN 84 ASP HB+ 3.50 (# 669:23 Unique 2.21, 2.89 A)
&rst
ixpk= 669, nxpk= 23, iat=1241, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1245,1246,
&end
#
# 84 ASP HN 84 ASP HB- 3.50 (# 670:23 Unique 2.21, 2.89 A)
&rst
ixpk= 670, nxpk= 23, iat=1241, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1245,1246,
&end
#
# 85 SER HN 84 ASP HB+ 4.50 (# 671:23 Unique 3.15, 4.14 A)
&rst
ixpk= 671, nxpk= 23, iat=1253, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1245,1246,
&end
#
# 0 AMB 23-2:673 82 ASP HB- 3.50 (# 673:23 Single Ambig)
&rst
ixpk= 673, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1230,1218,
igr2=1222,1223,
&end
#
# 50 LEU HN 50 LEU HB- 3.50 (# 674:23 Unique 2.15, 2.82 A)
&rst
ixpk= 674, nxpk= 23, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 778, 779,
&end
#
# 84 ASP HA 84 ASP HB+ 4.50 (# 675:23 Unique 2.34, 2.80 A)
&rst
ixpk= 675, nxpk= 23, iat=1243, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1245,1246,
&end
#
# 84 ASP HA 84 ASP HB- 5.50 (# 676:23 Unique 2.34, 2.80 A)
&rst
ixpk= 676, nxpk= 23, iat=1243, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1245,1246,
&end
#
# 82 ASP HA 82 ASP HB- 3.50 (# 678:23 Unique 2.35, 2.77 A)
&rst
ixpk= 678, nxpk= 23, iat=1220, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1222,1223,
&end
#
# 50 LEU HA 50 LEU HB+ 4.50 (# 679:23 Unique 2.65, 2.81 A)
&rst
ixpk= 679, nxpk= 23, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 778, 779,
&end
#
# 50 LEU HA 50 LEU HB- 3.50 (# 680:23 Unique 2.65, 2.81 A)
&rst
ixpk= 680, nxpk= 23, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 778, 779,
&end
#
# 47 ILE HA 50 LEU HB+ 5.50 (# 681:23 Unique 2.66, 3.41 A)
&rst
ixpk= 681, nxpk= 23, iat= 725, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 778, 779,
&end
#
# 47 ILE HA 50 LEU HB- 5.60 (# 682:23 Unique 2.66, 3.41 A)
&rst
ixpk= 682, nxpk= 23, iat= 725, -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr2= 778, 779,
&end
#
# 84 ASP HB+ 84 ASP HB- 2.80 (# 683:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 84 ASP HB- 84 ASP HB+ 3.50 (# 684:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 87 GLN HB+ 84 ASP HB+ 5.50 (# 685:23 Unique 2.00, 4.35 A)
&rst
ixpk= 685, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1285,1286,
igr2=1245,1246,
&end
#
# 87 GLN HB+ 84 ASP HB- 5.50 (# 686:23 Unique 2.00, 4.35 A)
&rst
ixpk= 686, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1285,1286,
igr2=1245,1246,
&end
#
# 0 AMB 23-2:689 0 AMB 23-1:689 4.50 (# 689:23 Double Ambig)
&rst
ixpk= 689, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 781, 727,
igr2= 778, 779, 778, 779,
&end
#
# 88 ILE HG1+ 84 ASP HB+ 5.60 (# 692:23 Unique 3.28, 4.74 A)
&rst
ixpk= 692, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1=1308,1309,
igr2=1245,1246,
&end
#
# 88 ILE HG1+ 84 ASP HB- 5.60 (# 693:23 Unique 3.28, 4.74 A)
&rst
ixpk= 693, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1=1308,1309,
igr2=1245,1246,
&end
#
# 88 ILE MD1 84 ASP HB+ 5.50 (# 694:23 Unique 3.90, 5.67 A)
&rst
ixpk= 694, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1311,1312,1313,
igr2=1245,1246,
&end
#
# 88 ILE MD1 84 ASP HB- 4.50 (# 695:23 Unique 3.90, 5.67 A)
&rst
ixpk= 695, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1311,1312,1313,
igr2=1245,1246,
&end
#
# 50 LEU MDY 50 LEU HB- 2.80 (# 696:23 Unique 2.00, 3.21 A)
&rst
ixpk= 696, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 783, 784, 785, 787, 788, 789,
igr2= 778, 779,
&end
#
# 50 LEU MDX 50 LEU HB+ 4.50 (# 697:23 Unique 2.00, 3.21 A)
&rst
ixpk= 697, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 783, 784, 785, 787, 788, 789,
igr2= 778, 779,
&end
#
# 50 LEU MDX 50 LEU HB- 2.80 (# 698:23 Unique 2.00, 3.21 A)
&rst
ixpk= 698, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 783, 784, 785, 787, 788, 789,
igr2= 778, 779,
&end
#
# 73 ASP HN 73 ASP HB- 3.50 (# 699:23 Unique 2.28, 3.05 A)
&rst
ixpk= 699, nxpk= 23, iat=1074, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1078,1079,
&end
#
# 34 GLU HN 33 LEU HB+ 4.50 (# 701:23 Unique 2.39, 2.92 A)
&rst
ixpk= 701, nxpk= 23, iat= 534, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 519, 520,
&end
#
# 74 LEU HN 73 ASP HB- 5.60 (# 703:23 Unique 2.64, 3.93 A)
&rst
ixpk= 703, nxpk= 23, iat=1086, -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr2=1078,1079,
&end
#
# 73 ASP HA 73 ASP HB- 3.50 (# 705:23 Unique 2.35, 2.75 A)
&rst
ixpk= 705, nxpk= 23, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1078,1079,
&end
#
# 50 LEU HB- 50 LEU HB+ 3.50 (# 706:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 33 LEU HN 33 LEU HB+ 4.50 (# 707:23 Unique 2.14, 2.55 A)
&rst
ixpk= 707, nxpk= 23, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 519, 520,
&end
#
# 33 LEU HN 33 LEU HB- 4.50 (# 708:23 Unique 2.14, 2.55 A)
&rst
ixpk= 708, nxpk= 23, iat= 515, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 519, 520,
&end
#
# 34 GLU HN 33 LEU HB- 3.50 (# 709:23 Unique 2.39, 2.92 A)
&rst
ixpk= 709, nxpk= 23, iat= 534, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 519, 520,
&end
#
# 0 AMB 23-2:710 0 AMB 23-1:710 4.50 (# 710:23 Double Ambig)
&rst
ixpk= 710, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 463,1458,
igr2= 519, 520, 519, 520,
&end
#
# 0 AMB 23-2:711 33 LEU HB- 4.50 (# 711:23 Single Ambig)
&rst
ixpk= 711, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 463,1458,
igr2= 519, 520,
&end
#
# 33 LEU HA 33 LEU HB+ 4.50 (# 712:23 Unique 2.64, 2.81 A)
&rst
ixpk= 712, nxpk= 23, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 519, 520,
&end
#
# 33 LEU HA 33 LEU HB- 4.50 (# 713:23 Unique 2.64, 2.81 A)
&rst
ixpk= 713, nxpk= 23, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 519, 520,
&end
#
# 33 LEU HG 33 LEU HB+ 4.50 (# 715:23 Unique 2.36, 2.69 A)
&rst
ixpk= 715, nxpk= 23, iat= 522, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 519, 520,
&end
#
# 0 AMB 23-2:716 33 LEU HB- 4.50 (# 716:23 Single Ambig)
&rst
ixpk= 716, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 522,1381,
igr2= 519, 520,
&end
#
# 33 LEU HB- 33 LEU HB+ 3.50 (# 717:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 0 AMB 23-2:718 0 AMB 23-1:718 3.50 (# 718:23 Double Ambig)
&rst
ixpk= 718, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1462,1463,1464,1466,1467,1468, 524, 525, 526, 528,
529, 530,
igr2= 519, 520, 519, 520,
&end
#
# 0 AMB 23-2:719 33 LEU HB- 3.50 (# 719:23 Single Ambig)
&rst
ixpk= 719, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1462,1463,1464,1466,1467,1468, 524, 525, 526, 528,
529, 530,
igr2= 519, 520,
&end
#
# 92 LEU MDX 33 LEU HB- 5.50 (# 720:23 Unique 3.37, 5.35 A)
&rst
ixpk= 720, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1383,1384,1385,1387,1388,1389,
igr2= 519, 520,
&end
#
# 92 LEU MDY 33 LEU HB- 5.60 (# 721:23 Unique 3.37, 5.35 A)
&rst
ixpk= 721, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.47, r4= 9.22,
igr1=1383,1384,1385,1387,1388,1389,
igr2= 519, 520,
&end
#
# 16 GLU HN 15 ASP HB- 5.50 (# 725:23 Unique 2.73, 3.31 A)
&rst
ixpk= 725, nxpk= 23, iat= 240, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 232, 233,
&end
#
# 15 ASP HA 15 ASP HB- 4.50 (# 727:23 Unique 2.34, 2.77 A)
&rst
ixpk= 727, nxpk= 23, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 232, 233,
&end
#
# 19 ASP HN 19 ASP HB- 4.50 (# 729:23 Unique 2.21, 2.60 A)
&rst
ixpk= 729, nxpk= 23, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 288, 289,
&end
#
# 20 ASN HN 19 ASP HB- 4.50 (# 731:23 Unique 2.61, 3.31 A)
&rst
ixpk= 731, nxpk= 23, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 288, 289,
&end
#
# 16 GLU HA 19 ASP HB- 4.50 (# 732:23 Unique 2.55, 3.24 A)
&rst
ixpk= 732, nxpk= 23, iat= 242, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 288, 289,
&end
#
# 0 AMB 23-2:735 0 AMB 23-1:735 5.50 (# 735:23 Double Ambig)
&rst
ixpk= 735, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
igr1= 216, 269, 244, 245, 244, 245, 336,
igr2= 232, 233, 288, 289,
&end
#
# 0 AMB 23-2:736 0 AMB 23-1:736 5.50 (# 736:23 Double Ambig)
&rst
ixpk= 736, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 278, 279, 280, 218, 219, 220, 222, 223, 224, 271,
272, 273,
igr2= 232, 233, 288, 289,
&end
#
# 22 LEU HN 22 LEU HB- 5.50 (# 738:23 Unique 2.25, 2.51 A)
&rst
ixpk= 738, nxpk= 23, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 333, 334,
&end
#
# 24 TYR HN 24 TYR HB+ 4.50 (# 740:23 Unique 2.10, 2.61 A)
&rst
ixpk= 740, nxpk= 23, iat= 372, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 376, 377,
&end
#
# 24 TYR HN 24 TYR HB- 3.50 (# 741:23 Unique 2.10, 2.61 A)
&rst
ixpk= 741, nxpk= 23, iat= 372, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 376, 377,
&end
#
# 25 THR HN 24 TYR HB+ 5.50 (# 742:23 Unique 2.28, 2.97 A)
&rst
ixpk= 742, nxpk= 23, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 376, 377,
&end
#
# 25 THR HN 24 TYR HB- 3.50 (# 743:23 Unique 2.28, 2.97 A)
&rst
ixpk= 743, nxpk= 23, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 376, 377,
&end
#
# 23 ARG HN 22 LEU HB- 5.50 (# 745:23 Unique 2.43, 3.21 A)
&rst
ixpk= 745, nxpk= 23, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 333, 334,
&end
#
# 24 TYR HA 24 TYR HB+ 4.50 (# 748:23 Unique 2.39, 2.76 A)
&rst
ixpk= 748, nxpk= 23, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 376, 377,
&end
#
# 24 TYR HA 24 TYR HB- 3.50 (# 749:23 Unique 2.39, 2.76 A)
&rst
ixpk= 749, nxpk= 23, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 376, 377,
&end
#
# 19 ASP HA 19 ASP HB- 4.50 (# 751:23 Unique 2.35, 2.73 A)
&rst
ixpk= 751, nxpk= 23, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 288, 289,
&end
#
# 22 LEU HA 22 LEU HB- 4.50 (# 756:23 Unique 2.32, 2.66 A)
&rst
ixpk= 756, nxpk= 23, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 333, 334,
&end
#
# 21 ILE HA 24 TYR HB- 4.50 (# 757:23 Unique 2.00, 2.63 A)
&rst
ixpk= 757, nxpk= 23, iat= 312, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 376, 377,
&end
#
# 24 TYR HB+ 24 TYR HB- 3.50 (# 758:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 24 TYR HB- 24 TYR HB+ 3.50 (# 759:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 22 LEU HG 22 LEU HB- 4.50 (# 761:23 Unique 2.38, 2.70 A)
&rst
ixpk= 761, nxpk= 23, iat= 336, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 333, 334,
&end
#
# 0 AMB 23-2:762 22 LEU HB- 4.50 (# 762:23 Single Ambig)
&rst
ixpk= 762, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 352, 353, 352, 353,
igr2= 333, 334,
&end
#
# 25 THR MG2 24 TYR HB+ 5.60 (# 764:23 Unique 3.28, 5.52 A)
&rst
ixpk= 764, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
igr1= 399, 400, 401,
igr2= 376, 377,
&end
#
# 25 THR MG2 24 TYR HB- 5.50 (# 765:23 Unique 3.28, 5.52 A)
&rst
ixpk= 765, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 399, 400, 401,
igr2= 376, 377,
&end
#
# 22 LEU MDX 22 LEU HB- 4.50 (# 767:23 Unique 2.23, 3.30 A)
&rst
ixpk= 767, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 333, 334,
&end
#
# 21 ILE HG1+ 24 TYR HB- 5.50 (# 768:23 Unique 4.34, 4.97 A)
&rst
ixpk= 768, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 320, 321,
igr2= 376, 377,
&end
#
# 22 LEU MDY 22 LEU HB- 4.50 (# 770:23 Unique 2.23, 3.30 A)
&rst
ixpk= 770, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 333, 334,
&end
#
# 19 ASP HN 18 ILE HB 4.50 (# 772:23 Unique 2.62, 2.68 A)
&rst
ixpk= 772, nxpk= 23, iat= 284, 269, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 ILE HN 18 ILE HB 4.50 (# 774:23 Unique 2.52, 2.53 A)
&rst
ixpk= 774, nxpk= 23, iat= 265, 269, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 ASN HA 10 ASN HB- 4.50 (# 779:23 Unique 2.33, 2.82 A)
&rst
ixpk= 779, nxpk= 23, iat= 144, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 146, 147,
&end
#
# 15 ASP HA 18 ILE HB 4.50 (# 780:23 Unique 2.73, 2.75 A)
&rst
ixpk= 780, nxpk= 23, iat= 230, 269, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 ILE HA 18 ILE HB 5.50 (# 781:23 Unique 3.02, 3.02 A)
&rst
ixpk= 781, nxpk= 23, iat= 267, 269, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:782 18 ILE HB 3.50 (# 782:23 Single Ambig)
&rst
ixpk= 782, nxpk= 23, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 271, 272, 273, 278, 279, 280, 218, 219, 220, 222,
223, 224,
&end
#
# 81 TYR HN 81 TYR HB- 3.50 (# 784:23 Unique 2.13, 3.19 A)
&rst
ixpk= 784, nxpk= 23, iat=1197, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1201,1202,
&end
#
# 47 ILE HN 47 ILE HB 4.50 (# 793:23 Unique 3.61, 3.61 A)
&rst
ixpk= 793, nxpk= 23, iat= 723, 727, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASN HN 20 ASN HB+ 4.50 (# 794:23 Unique 2.12, 2.57 A)
&rst
ixpk= 794, nxpk= 23, iat= 296, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 300, 301,
&end
#
# 21 ILE HN 20 ASN HB+ 4.50 (# 796:23 Unique 2.34, 2.92 A)
&rst
ixpk= 796, nxpk= 23, iat= 310, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 300, 301,
&end
#
# 21 ILE HN 20 ASN HB- 4.50 (# 797:23 Unique 2.34, 2.92 A)
&rst
ixpk= 797, nxpk= 23, iat= 310, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 300, 301,
&end
#
# 48 ALA HN 47 ILE HB 4.50 (# 799:23 Unique 3.89, 3.93 A)
&rst
ixpk= 799, nxpk= 23, iat= 742, 727, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 TYR HA 81 TYR HB+ 3.50 (# 801:23 Unique 2.36, 2.71 A)
&rst
ixpk= 801, nxpk= 23, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1201,1202,
&end
#
# 20 ASN HA 20 ASN HB- 3.50 (# 802:23 Unique 2.57, 2.82 A)
&rst
ixpk= 802, nxpk= 23, iat= 298, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 300, 301,
&end
#
# 17 ALA HA 20 ASN HB+ 4.50 (# 803:23 Unique 2.81, 3.16 A)
&rst
ixpk= 803, nxpk= 23, iat= 257, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 300, 301,
&end
#
# 20 ASN HB+ 20 ASN HB- 3.50 (# 804:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 47 ILE MG2 47 ILE HB 4.50 (# 806:23 Unique 2.22, 2.63 A)
&rst
ixpk= 806, nxpk= 23, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 729, 730, 731,
&end
#
# 0 AMB 23-2:808 0 AMB 23-1:808 4.50 (# 808:23 Double Ambig)
&rst
ixpk= 808, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 320, 321, 323, 324, 325,
igr2= 300, 301, 300, 301,
&end
#
# 0 AMB 23-2:809 20 ASN HB- 4.50 (# 809:23 Single Ambig)
&rst
ixpk= 809, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 320, 321, 323, 324, 325,
igr2= 300, 301,
&end
#
# 32 PHE HN 32 PHE HB+ 3.50 (# 811:23 Unique 2.16, 2.58 A)
&rst
ixpk= 811, nxpk= 23, iat= 495, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 499, 500,
&end
#
# 32 PHE HD 32 PHE HB+ 3.50 (# 812:23 Unique 2.28, 3.05 A)
&rst
ixpk= 812, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 503, 511,
igr2= 499, 500,
&end
#
# 44 ARG HA 47 ILE HB 5.50 (# 815:23 Unique 4.85, 4.97 A)
&rst
ixpk= 815, nxpk= 23, iat= 672, 727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 GLU HA 32 PHE HB+ 4.50 (# 817:23 Unique 3.24, 3.51 A)
&rst
ixpk= 817, nxpk= 23, iat= 448, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 499, 500,
&end
#
# 47 ILE HA 47 ILE HB 3.50 (# 818:23 Unique 2.40, 2.40 A)
&rst
ixpk= 818, nxpk= 23, iat= 725, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 23-2:819 0 AMB 23-1:819 4.50 (# 819:23 Double Ambig)
&rst
ixpk= 819, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1268,1269,1285,1286,
igr2=1340,1341,1340,1341,
&end
#
# 22 LEU MDY 32 PHE HB+ 3.50 (# 820:23 Unique 2.65, 4.48 A)
&rst
ixpk= 820, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 499, 500,
&end
#
# 92 LEU MDY 32 PHE HB+ 5.60 (# 822:23 Unique 2.22, 4.33 A)
&rst
ixpk= 822, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.47, r4= 9.22,
igr1=1383,1384,1385,1387,1388,1389,
igr2= 499, 500,
&end
#
# 22 LEU HN 21 ILE HB 5.50 (# 825:23 Unique 2.48, 2.56 A)
&rst
ixpk= 825, nxpk= 23, iat= 329, 314, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 ASN HN 90 ASN HB+ 4.50 (# 827:23 Unique 2.07, 2.68 A)
&rst
ixpk= 827, nxpk= 23, iat=1336, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1340,1341,
&end
#
# 21 ILE HN 21 ILE HB 3.50 (# 828:23 Unique 2.40, 2.43 A)
&rst
ixpk= 828, nxpk= 23, iat= 310, 314, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 ARG HN 90 ASN HB+ 4.50 (# 829:23 Unique 2.24, 2.85 A)
&rst
ixpk= 829, nxpk= 23, iat=1350, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1340,1341,
&end
#
# 26 ASN HN 26 ASN HB+ 4.50 (# 830:23 Unique 3.08, 3.53 A)
&rst
ixpk= 830, nxpk= 23, iat= 407, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 411, 412,
&end
#
# 26 ASN HN 26 ASN HB- 5.50 (# 831:23 Unique 3.08, 3.53 A)
&rst
ixpk= 831, nxpk= 23, iat= 407, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 411, 412,
&end
#
# 32 PHE HE 21 ILE HB 5.50 (# 836:23 Unique 3.53, 4.04 A)
&rst
ixpk= 836, nxpk= 23, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 505, 509,
&end
#
# 26 ASN HA 26 ASN HB+ 4.50 (# 840:23 Unique 2.37, 2.79 A)
&rst
ixpk= 840, nxpk= 23, iat= 409, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 411, 412,
&end
#
# 26 ASN HA 26 ASN HB- 4.50 (# 841:23 Unique 2.37, 2.79 A)
&rst
ixpk= 841, nxpk= 23, iat= 409, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 411, 412,
&end
#
# 90 ASN HA 90 ASN HB+ 4.50 (# 842:23 Unique 2.38, 2.81 A)
&rst
ixpk= 842, nxpk= 23, iat=1338, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1340,1341,
&end
#
# 87 GLN HA 90 ASN HB+ 4.50 (# 843:23 Unique 2.72, 3.46 A)
&rst
ixpk= 843, nxpk= 23, iat=1283, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1340,1341,
&end
#
# 18 ILE HA 21 ILE HB 3.50 (# 846:23 Unique 3.01, 3.12 A)
&rst
ixpk= 846, nxpk= 23, iat= 267, 314, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 ASN HB+ 26 ASN HB- 3.50 (# 847:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 26 ASN HB- 26 ASN HB+ 3.50 (# 848:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 0 AMB 23-2:850 0 AMB 23-1:850 4.50 (# 850:23 Double Ambig)
&rst
ixpk= 850, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1321,1322,1397,1398,
igr2=1340,1341,1340,1341,
&end
#
# 0 AMB 23-2:855 21 ILE HB 4.50 (# 855:23 Single Ambig)
&rst
ixpk= 855, nxpk= 23, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 323, 324, 325, 320, 321,
&end
#
# 21 ILE MG2 21 ILE HB 4.50 (# 859:23 Unique 2.38, 2.63 A)
&rst
ixpk= 859, nxpk= 23, iat= -1, 314, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 316, 317, 318,
&end
#
# 88 ILE HN 88 ILE HB 4.50 (# 862:23 Unique 2.53, 2.55 A)
&rst
ixpk= 862, nxpk= 23, iat=1298,1302, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:863 88 ILE HB 4.50 (# 863:23 Single Ambig)
&rst
ixpk= 863, nxpk= 23, iat= -1,1302, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1255,1257,1258,1266,
&end
#
# 88 ILE HA 88 ILE HB 3.50 (# 864:23 Unique 3.02, 3.02 A)
&rst
ixpk= 864, nxpk= 23, iat=1300,1302, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 43 VAL MGX 88 ILE HB 5.50 (# 865:23 Unique 3.72, 6.79 A)
&rst
ixpk= 865, nxpk= 23, iat= -1,1302, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 0 AMB 23-2:866 88 ILE HB 4.50 (# 866:23 Single Ambig)
&rst
ixpk= 866, nxpk= 23, iat= -1,1302, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1=1308,1309, 278, 279, 280, 218, 219, 220, 222, 223,
224,
&end
#
# 88 ILE MG2 88 ILE HB 4.50 (# 867:23 Unique 2.26, 2.63 A)
&rst
ixpk= 867, nxpk= 23, iat= -1,1302, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1304,1305,1306,
&end
#
# 13 GLU HN 13 GLU HG+ 4.50 (# 868:23 Unique 2.06, 4.08 A)
&rst
ixpk= 868, nxpk= 23, iat= 197, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 204, 205,
&end
#
# 46 ALA HN 45 ILE HB 4.50 (# 869:23 Unique 2.50, 2.67 A)
&rst
ixpk= 869, nxpk= 23, iat= 713, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:870 0 AMB 23-1:870 5.50 (# 870:23 Double Ambig)
&rst
ixpk= 870, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 212, 240,
igr2= 204, 205, 204, 205,
&end
#
# 45 ILE HN 45 ILE HB 4.50 (# 871:23 Unique 2.62, 2.63 A)
&rst
ixpk= 871, nxpk= 23, iat= 694, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 THR HB 45 ILE HB 4.50 (# 872:23 Unique 2.00, 2.14 A)
&rst
ixpk= 872, nxpk= 23, iat= 606, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 GLU HA 13 GLU HG+ 2.80 (# 873:23 Unique 2.12, 2.89 A)
&rst
ixpk= 873, nxpk= 23, iat= 199, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 204, 205,
&end
#
# 0 AMB 23-2:874 45 ILE HB 4.50 (# 874:23 Single Ambig)
&rst
ixpk= 874, nxpk= 23, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 696, 656,
&end
#
# 0 AMB 23-2:875 0 AMB 23-1:875 3.50 (# 875:23 Double Ambig)
&rst
ixpk= 875, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 201, 202, 244, 245,
igr2= 204, 205, 204, 205,
&end
#
# 42 ARG HB- 45 ILE HB 4.50 (# 876:23 Unique 2.75, 3.34 A)
&rst
ixpk= 876, nxpk= 23, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 634, 635,
&end
#
# 0 AMB 23-2:877 45 ILE HB 4.50 (# 877:23 Single Ambig)
&rst
ixpk= 877, nxpk= 23, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 762, 763, 677, 678, 746, 747, 748,
&end
#
# 45 ILE HG1- 45 ILE HB 4.50 (# 878:23 Unique 2.45, 2.75 A)
&rst
ixpk= 878, nxpk= 23, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 704, 705,
&end
#
# 39 THR MG2 45 ILE HB 4.50 (# 879:23 Unique 2.14, 3.08 A)
&rst
ixpk= 879, nxpk= 23, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 608, 609, 610,
&end
#
# 45 ILE MG2 45 ILE HB 4.50 (# 880:23 Unique 2.37, 2.63 A)
&rst
ixpk= 880, nxpk= 23, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 700, 701, 702,
&end
#
# 45 ILE MD1 45 ILE HB 5.50 (# 882:23 Unique 2.37, 3.12 A)
&rst
ixpk= 882, nxpk= 23, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 707, 708, 709,
&end
#
# 9 VAL MGY 13 GLU HG+ 5.50 (# 883:23 Unique 2.90, 6.46 A)
&rst
ixpk= 883, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 132, 133, 134, 136, 137, 138,
igr2= 204, 205,
&end
#
# 16 GLU HN 16 GLU HG+ 4.50 (# 887:23 Unique 4.43, 4.45 A)
&rst
ixpk= 887, nxpk= 23, iat= 240, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 247, 248,
&end
#
# 17 ALA HA 16 GLU HG+ 3.50 (# 894:23 Unique 3.52, 4.30 A)
&rst
ixpk= 894, nxpk= 23, iat= 257, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 247, 248,
&end
#
# 16 GLU HA 16 GLU HG+ 3.50 (# 895:23 Unique 2.53, 2.82 A)
&rst
ixpk= 895, nxpk= 23, iat= 242, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 247, 248,
&end
#
# 33 LEU MDY 34 GLU HG+ 4.50 (# 902:23 Unique 4.70, 6.12 A)
&rst
ixpk= 902, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 524, 525, 526, 528, 529, 530,
igr2= 541, 542,
&end
#
# 37 GLU HN 34 GLU HG+ 5.50 (# 903:23 Unique 5.36, 5.90 A)
&rst
ixpk= 903, nxpk= 23, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 541, 542,
&end
#
# 91 ARG HA 94 GLU HG+ 4.50 (# 908:23 Unique 2.10, 3.65 A)
&rst
ixpk= 908, nxpk= 23, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1424,1425,
&end
#
# 0 AMB 23-2:913 0 AMB 23-1:913 3.50 (# 913:23 Double Ambig)
&rst
ixpk= 913, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1421,1422, 580, 581, 519, 520,
igr2=1424,1425, 541, 542, 541, 542,
&end
#
# 93 ARG HG- 94 GLU HG+ 5.60 (# 914:23 Unique 5.07, 6.38 A)
&rst
ixpk= 914, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1=1400,1401,
igr2=1424,1425,
&end
#
# 36 MET HN 36 MET HG+ 4.50 (# 917:23 Unique 2.15, 2.94 A)
&rst
ixpk= 917, nxpk= 23, iat= 559, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 566, 567,
&end
#
# 36 MET HN 36 MET HG- 5.50 (# 918:23 Unique 2.15, 2.94 A)
&rst
ixpk= 918, nxpk= 23, iat= 559, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 566, 567,
&end
#
# 32 PHE HD 36 MET HG+ 4.50 (# 919:23 Unique 3.50, 4.58 A)
&rst
ixpk= 919, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 503, 511,
igr2= 566, 567,
&end
#
# 32 PHE HD 36 MET HG- 4.50 (# 920:23 Unique 3.50, 4.58 A)
&rst
ixpk= 920, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 503, 511,
igr2= 566, 567,
&end
#
# 32 PHE HE 36 MET HG+ 4.50 (# 921:23 Unique 3.38, 4.67 A)
&rst
ixpk= 921, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 505, 509,
igr2= 566, 567,
&end
#
# 32 PHE HE 36 MET HG- 4.50 (# 922:23 Unique 3.38, 4.67 A)
&rst
ixpk= 922, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 505, 509,
igr2= 566, 567,
&end
#
# 36 MET HA 36 MET HG+ 5.50 (# 923:23 Unique 3.06, 3.45 A)
&rst
ixpk= 923, nxpk= 23, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 566, 567,
&end
#
# 36 MET HA 36 MET HG- 5.50 (# 924:23 Unique 3.06, 3.45 A)
&rst
ixpk= 924, nxpk= 23, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 566, 567,
&end
#
# 33 LEU HA 36 MET HG+ 5.60 (# 925:23 Unique 4.35, 4.65 A)
&rst
ixpk= 925, nxpk= 23, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr2= 566, 567,
&end
#
# 33 LEU HA 36 MET HG- 5.50 (# 926:23 Unique 4.35, 4.65 A)
&rst
ixpk= 926, nxpk= 23, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 566, 567,
&end
#
# 36 MET HB+ 36 MET HG+ 5.50 (# 927:23 Unique 2.39, 2.57 A)
&rst
ixpk= 927, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 563, 564,
igr2= 566, 567,
&end
#
# 36 MET HB+ 36 MET HG- 4.50 (# 928:23 Unique 2.39, 2.57 A)
&rst
ixpk= 928, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 563, 564,
igr2= 566, 567,
&end
#
# 36 MET HG+ 36 MET HG- 3.50 (# 929:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 92 LEU HB+ 36 MET HG+ 5.50 (# 930:23 Unique 4.02, 4.81 A)
&rst
ixpk= 930, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1378,1379,
igr2= 566, 567,
&end
#
# 92 LEU HB+ 36 MET HG- 4.50 (# 931:23 Unique 4.02, 4.81 A)
&rst
ixpk= 931, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1378,1379,
igr2= 566, 567,
&end
#
# 0 AMB 23-2:933 0 AMB 23-1:933 5.50 (# 933:23 Double Ambig)
&rst
ixpk= 933, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1304,1305,1306,1326,1327,1328,1330,1331,1332,
igr2= 566, 567, 566, 567,
&end
#
# 0 AMB 23-2:934 36 MET HG- 4.50 (# 934:23 Single Ambig)
&rst
ixpk= 934, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1304,1305,1306,1326,1327,1328,1330,1331,1332,
igr2= 566, 567,
&end
#
# 92 LEU MDX 36 MET HG- 4.50 (# 935:23 Unique 1.99, 4.04 A)
&rst
ixpk= 935, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1383,1384,1385,1387,1388,1389,
igr2= 566, 567,
&end
#
# 92 LEU MDX 36 MET HG+ 4.50 (# 936:23 Unique 1.99, 4.04 A)
&rst
ixpk= 936, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1383,1384,1385,1387,1388,1389,
igr2= 566, 567,
&end
#
# 92 LEU MDY 36 MET HG- 5.50 (# 937:23 Unique 1.99, 4.04 A)
&rst
ixpk= 937, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1383,1384,1385,1387,1388,1389,
igr2= 566, 567,
&end
#
# 92 LEU MDY 36 MET HG+ 5.50 (# 938:23 Unique 1.99, 4.04 A)
&rst
ixpk= 938, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1383,1384,1385,1387,1388,1389,
igr2= 566, 567,
&end
#
# 28 THR HN 31 GLN HG+ 5.50 (# 939:23 Unique 1.95, 2.66 A)
&rst
ixpk= 939, nxpk= 23, iat= 432, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 485, 486,
&end
#
# 31 GLN HN 31 GLN HG+ 4.50 (# 942:23 Unique 1.95, 2.66 A)
&rst
ixpk= 942, nxpk= 23, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 485, 486,
&end
#
# 31 GLN HA 31 GLN HG+ 3.50 (# 947:23 Unique 2.41, 3.34 A)
&rst
ixpk= 947, nxpk= 23, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 485, 486,
&end
#
# 31 GLN HB- 31 GLN HG+ 4.50 (# 949:23 Unique 2.21, 2.62 A)
&rst
ixpk= 949, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 482, 483,
igr2= 485, 486,
&end
#
# 28 THR MG2 31 GLN HG+ 5.50 (# 950:23 Unique 2.15, 4.82 A)
&rst
ixpk= 950, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 438, 439, 440,
igr2= 485, 486,
&end
#
# 30 GLN HN 30 GLN HG+ 4.50 (# 951:23 Unique 1.97, 2.51 A)
&rst
ixpk= 951, nxpk= 23, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 468, 469,
&end
#
# 30 GLN HN 30 GLN HG- 3.50 (# 952:23 Unique 1.97, 2.51 A)
&rst
ixpk= 952, nxpk= 23, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 468, 469,
&end
#
# 86 GLN HN 86 GLN HG+ 3.50 (# 953:23 Unique 1.95, 2.62 A)
&rst
ixpk= 953, nxpk= 23, iat=1264, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1271,1272,
&end
#
# 0 AMB 23-2:954 0 AMB 23-1:954 4.50 (# 954:23 Double Ambig)
&rst
ixpk= 954, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1281,1230,
igr2=1271,1272,1271,1272,
&end
#
# 0 AMB 23-2:958 0 AMB 23-1:958 3.50 (# 958:23 Double Ambig)
&rst
ixpk= 958, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 795,1266,1257,1258,
igr2= 852, 853,1271,1272,1271,1272,
&end
#
# 30 GLN HA 30 GLN HG+ 4.50 (# 959:23 Unique 2.53, 3.02 A)
&rst
ixpk= 959, nxpk= 23, iat= 463, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 468, 469,
&end
#
# 0 AMB 23-2:960 0 AMB 23-1:960 4.50 (# 960:23 Double Ambig)
&rst
ixpk= 960, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 463,1546,1547,
igr2= 468, 469,1532,1533,
&end
#
# 0 AMB 23-2:962 0 AMB 23-1:962 2.80 (# 962:23 Double Ambig)
&rst
ixpk= 962, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1529,1530, 849, 850,
igr2=1532,1533, 852, 853,
&end
#
# 0 AMB 23-2:965 30 GLN HG- 4.50 (# 965:23 Single Ambig)
&rst
ixpk= 965, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1462,1463,1464,1466,1467,1468,1462,1463,1464,1466,
1467,1468,
igr2= 468, 469,
&end
#
# 54 GLN HA 54 GLN HG+ 4.50 (# 966:23 Unique 2.03, 2.90 A)
&rst
ixpk= 966, nxpk= 23, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 852, 853,
&end
#
# 36 MET HG+ 36 MET HB- 5.60 (# 967:23 Unique 2.39, 2.57 A)
&rst
ixpk= 967, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1= 566, 567,
igr2= 563, 564,
&end
#
# 92 LEU HB+ 36 MET HB- 5.60 (# 969:23 Unique 4.14, 4.88 A)
&rst
ixpk= 969, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1=1378,1379,
igr2= 563, 564,
&end
#
# 0 AMB 23-2:972 0 AMB 23-1:972 5.50 (# 972:23 Double Ambig)
&rst
ixpk= 972, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 576, 623,
igr2= 563, 564, 563, 564,
&end
#
# 0 AMB 23-2:973 36 MET HB- 5.50 (# 973:23 Single Ambig)
&rst
ixpk= 973, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 576, 623,
igr2= 563, 564,
&end
#
# 36 MET HN 36 MET HB+ 4.50 (# 974:23 Unique 2.47, 3.06 A)
&rst
ixpk= 974, nxpk= 23, iat= 559, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 563, 564,
&end
#
# 36 MET HN 36 MET HB- 5.50 (# 975:23 Unique 2.47, 3.06 A)
&rst
ixpk= 975, nxpk= 23, iat= 559, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 563, 564,
&end
#
# 36 MET HA 36 MET HB+ 5.50 (# 976:23 Unique 2.43, 2.74 A)
&rst
ixpk= 976, nxpk= 23, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 563, 564,
&end
#
# 36 MET HA 36 MET HB- 4.50 (# 977:23 Unique 2.43, 2.74 A)
&rst
ixpk= 977, nxpk= 23, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 563, 564,
&end
#
# 33 LEU HA 36 MET HB+ 5.50 (# 978:23 Unique 3.60, 4.54 A)
&rst
ixpk= 978, nxpk= 23, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 563, 564,
&end
#
# 33 LEU HA 36 MET HB- 5.50 (# 979:23 Unique 3.60, 4.54 A)
&rst
ixpk= 979, nxpk= 23, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 563, 564,
&end
#
# 41 GLY HA- 36 MET HB- 5.60 (# 980:23 Unique 2.23, 3.96 A)
&rst
ixpk= 980, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1= 625, 626,
igr2= 563, 564,
&end
#
# 92 LEU HB+ 36 MET HB+ 5.50 (# 982:23 Unique 4.14, 4.88 A)
&rst
ixpk= 982, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1378,1379,
igr2= 563, 564,
&end
#
# 89 LEU MDX 36 MET HB+ 4.50 (# 984:23 Unique 1.99, 4.29 A)
&rst
ixpk= 984, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1326,1327,1328,1330,1331,1332,
igr2= 563, 564,
&end
#
# 89 LEU MDY 36 MET HB+ 4.50 (# 985:23 Unique 1.99, 4.29 A)
&rst
ixpk= 985, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1326,1327,1328,1330,1331,1332,
igr2= 563, 564,
&end
#
# 89 LEU MDY 36 MET HB- 4.50 (# 986:23 Unique 1.99, 4.29 A)
&rst
ixpk= 986, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1326,1327,1328,1330,1331,1332,
igr2= 563, 564,
&end
#
# 0 AMB 23-2:992 0 AMB 23-1:992 4.50 (# 992:23 Double Ambig)
&rst
ixpk= 992, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1132,1161,
igr2=1136,1137,1136,1137,
&end
#
# 77 LYS HA 77 LYS HB+ 3.50 (# 996:23 Unique 2.35, 2.69 A)
&rst
ixpk= 996, nxpk= 23, iat=1134, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1136,1137,
&end
#
# 63 LYS HG+ 63 LYS HB- 3.50 (# 999:23 Unique 2.21, 2.64 A)
&rst
ixpk= 999, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 944, 945,
igr2= 941, 942,
&end
#
# 79 MET HN 79 MET HB+ 4.50 (# 1000:23 Unique 2.19, 3.31 A)
&rst
ixpk= 1000, nxpk= 23, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1165,1166,
&end
#
# 79 MET HA 79 MET HB+ 3.50 (# 1002:23 Unique 2.35, 2.69 A)
&rst
ixpk= 1002, nxpk= 23, iat=1163, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1165,1166,
&end
#
# 53 LYS HA 53 LYS HB- 3.50 (# 1003:23 Unique 2.33, 2.57 A)
&rst
ixpk= 1003, nxpk= 23, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 827, 828,
&end
#
# 9 VAL MGY 9 VAL HB 3.50 (# 1004:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1004, nxpk= 23, iat= -1, 130, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 132, 133, 134, 136, 137, 138,
&end
#
# 44 ARG HN 43 VAL HB 4.50 (# 1005:23 Unique 2.53, 3.88 A)
&rst
ixpk= 1005, nxpk= 23, iat= 670, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 VAL HN 43 VAL HB 4.50 (# 1006:23 Unique 2.44, 2.48 A)
&rst
ixpk= 1006, nxpk= 23, iat= 654, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 LYS HN 76 VAL HB 5.50 (# 1007:23 Unique 1.95, 3.27 A)
&rst
ixpk= 1007, nxpk= 23, iat=1132,1120, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 LYS HN 53 LYS HB- 3.50 (# 1009:23 Unique 2.20, 3.21 A)
&rst
ixpk= 1009, nxpk= 23, iat= 823, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 827, 828,
&end
#
# 0 AMB 23-2:1012 43 VAL HB 5.50 (# 1012:23 Single Ambig)
&rst
ixpk= 1012, nxpk= 23, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1257,1258,1255,
&end
#
# 43 VAL HA 43 VAL HB 4.50 (# 1014:23 Unique 2.46, 2.52 A)
&rst
ixpk= 1014, nxpk= 23, iat= 656, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 MET HB+ 79 MET HG- 3.50 (# 1017:23 Unique 2.21, 2.69 A)
&rst
ixpk= 1017, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1165,1166,
igr2=1168,1169,
&end
#
# 53 LYS HG+ 53 LYS HB- 3.50 (# 1019:23 Unique 2.21, 2.66 A)
&rst
ixpk= 1019, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 830, 831,
igr2= 827, 828,
&end
#
# 43 VAL MGX 43 VAL HB 4.50 (# 1020:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1020, nxpk= 23, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 43 VAL MGY 43 VAL HB 4.50 (# 1021:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1021, nxpk= 23, iat= -1, 658, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 0 AMB 23-2:1022 0 AMB 23-1:1022 3.50 (# 1022:23 Double Ambig)
&rst
ixpk= 1022, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 752, 774,
igr2= 756, 757, 756, 757,
&end
#
# 79 MET HN 79 MET HG- 5.60 (# 1023:23 Unique 2.19, 3.81 A)
&rst
ixpk= 1023, nxpk= 23, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr2=1168,1169,
&end
#
# 79 MET HN 79 MET HG+ 5.60 (# 1024:23 Unique 2.19, 3.81 A)
&rst
ixpk= 1024, nxpk= 23, iat=1161, -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr2=1168,1169,
&end
#
# 76 VAL HN 76 VAL HB 5.50 (# 1025:23 Unique 2.46, 3.29 A)
&rst
ixpk= 1025, nxpk= 23, iat=1116,1120, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 MET HA 79 MET HG- 4.50 (# 1027:23 Unique 2.04, 3.10 A)
&rst
ixpk= 1027, nxpk= 23, iat=1163, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1168,1169,
&end
#
# 49 LYS HA 49 LYS HB+ 3.50 (# 1028:23 Unique 2.59, 2.85 A)
&rst
ixpk= 1028, nxpk= 23, iat= 754, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 756, 757,
&end
#
# 76 VAL HA 76 VAL HB 4.50 (# 1029:23 Unique 2.40, 2.46 A)
&rst
ixpk= 1029, nxpk= 23, iat=1118,1120, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:1030 0 AMB 23-1:1030 3.50 (# 1030:23 Double Ambig)
&rst
ixpk= 1030, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 715, 696,
igr2= 756, 757, 756, 757,
&end
#
# 49 LYS HE+ 49 LYS HB+ 4.50 (# 1031:23 Unique 2.86, 4.43 A)
&rst
ixpk= 1031, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 765, 766,
igr2= 756, 757,
&end
#
# 49 LYS HD+ 49 LYS HB+ 3.50 (# 1032:23 Unique 1.93, 2.99 A)
&rst
ixpk= 1032, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 762, 763,
igr2= 756, 757,
&end
#
# 49 LYS HG- 49 LYS HB+ 4.50 (# 1033:23 Unique 2.21, 2.67 A)
&rst
ixpk= 1033, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 759, 760,
igr2= 756, 757,
&end
#
# 39 THR MG2 49 LYS HB+ 4.50 (# 1034:23 Unique 3.69, 4.84 A)
&rst
ixpk= 1034, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 608, 609, 610,
igr2= 756, 757,
&end
#
# 0 AMB 23-2:1036 76 VAL HB 4.50 (# 1036:23 Single Ambig)
&rst
ixpk= 1036, nxpk= 23, iat= -1,1120, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
1127,1128,
&end
#
# 0 AMB 23-2:1037 0 AMB 23-1:1037 2.80 (# 1037:23 Double Ambig)
&rst
ixpk= 1037, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 228,1456,
igr2= 216,1460,
&end
#
# 0 AMB 23-2:1040 96 VAL HB 3.50 (# 1040:23 Single Ambig)
&rst
ixpk= 1040, nxpk= 23, iat= -1,1460, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1458, 463,1376,
&end
#
# 14 VAL HN 14 VAL HB 4.50 (# 1042:23 Unique 2.60, 2.67 A)
&rst
ixpk= 1042, nxpk= 23, iat= 212, 216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 HIS HA 14 VAL HB 4.50 (# 1044:23 Unique 2.78, 3.11 A)
&rst
ixpk= 1044, nxpk= 23, iat= 158, 216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 23-2:1046 0 AMB 23-1:1046 2.80 (# 1046:23 Double Ambig)
&rst
ixpk= 1046, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,1462,1463,1464,1466,1467,1468,
igr2= 216,1460,
&end
#
# 32 PHE HE 18 ILE HG1+ 5.50 (# 1048:23 Unique 2.63, 5.38 A)
&rst
ixpk= 1048, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 505, 509,
igr2= 275, 276,
&end
#
# 18 ILE HN 18 ILE HG1+ 5.50 (# 1049:23 Unique 2.09, 2.81 A)
&rst
ixpk= 1049, nxpk= 23, iat= 265, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 275, 276,
&end
#
# 96 VAL HN 95 ARG HB- 5.50 (# 1050:23 Unique 2.17, 2.92 A)
&rst
ixpk= 1050, nxpk= 23, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1436,1437,
&end
#
# 95 ARG HA 95 ARG HB- 4.50 (# 1053:23 Unique 2.39, 2.74 A)
&rst
ixpk= 1053, nxpk= 23, iat=1434, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1436,1437,
&end
#
# 95 ARG HD+ 95 ARG HB- 4.50 (# 1054:23 Unique 2.09, 2.86 A)
&rst
ixpk= 1054, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1442,1443,
igr2=1436,1437,
&end
#
# 18 ILE HA 18 ILE HG1+ 5.50 (# 1055:23 Unique 2.59, 2.74 A)
&rst
ixpk= 1055, nxpk= 23, iat= 267, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 275, 276,
&end
#
# 0 AMB 23-2:1057 0 AMB 23-1:1057 4.50 (# 1057:23 Double Ambig)
&rst
ixpk= 1057, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 269, 566, 567,
igr2= 275, 276, 275, 276,
&end
#
# 0 AMB 23-2:1058 0 AMB 23-1:1058 3.50 (# 1058:23 Double Ambig)
&rst
ixpk= 1058, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 271, 272, 273, 278, 279, 280,
igr2= 275, 276, 275, 276,
&end
#
# 95 ARG HN 95 ARG HB+ 4.50 (# 1060:23 Unique 2.23, 2.58 A)
&rst
ixpk= 1060, nxpk= 23, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1436,1437,
&end
#
# 95 ARG HN 95 ARG HB- 4.50 (# 1061:23 Unique 2.23, 2.58 A)
&rst
ixpk= 1061, nxpk= 23, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1436,1437,
&end
#
# 96 VAL HN 95 ARG HB+ 5.50 (# 1062:23 Unique 2.17, 2.92 A)
&rst
ixpk= 1062, nxpk= 23, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1436,1437,
&end
#
# 95 ARG HA 95 ARG HB+ 4.50 (# 1065:23 Unique 2.39, 2.74 A)
&rst
ixpk= 1065, nxpk= 23, iat=1434, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1436,1437,
&end
#
# 95 ARG HD+ 95 ARG HB+ 3.50 (# 1066:23 Unique 2.09, 2.86 A)
&rst
ixpk= 1066, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1442,1443,
igr2=1436,1437,
&end
#
# 95 ARG HD- 95 ARG HB+ 4.50 (# 1067:23 Unique 2.09, 2.86 A)
&rst
ixpk= 1067, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1442,1443,
igr2=1436,1437,
&end
#
# 95 ARG HD- 95 ARG HB- 4.50 (# 1068:23 Unique 2.09, 2.86 A)
&rst
ixpk= 1068, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1442,1443,
igr2=1436,1437,
&end
#
# 94 GLU HN 94 GLU HB- 4.50 (# 1072:23 Unique 2.69, 3.14 A)
&rst
ixpk= 1072, nxpk= 23, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1421,1422,
&end
#
# 71 ARG HA 71 ARG HB+ 4.50 (# 1074:23 Unique 2.39, 2.73 A)
&rst
ixpk= 1074, nxpk= 23, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1032,1033,
&end
#
# 71 ARG HA 71 ARG HB- 5.50 (# 1075:23 Unique 2.39, 2.73 A)
&rst
ixpk= 1075, nxpk= 23, iat=1030, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1032,1033,
&end
#
# 71 ARG HD+ 71 ARG HB- 5.50 (# 1077:23 Unique 2.03, 3.08 A)
&rst
ixpk= 1077, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1038,1039,
igr2=1032,1033,
&end
#
# 95 ARG HN 94 GLU HB- 5.50 (# 1079:23 Unique 2.38, 3.25 A)
&rst
ixpk= 1079, nxpk= 23, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1421,1422,
&end
#
# 24 TYR HN 23 ARG HB- 4.50 (# 1081:23 Unique 2.82, 3.52 A)
&rst
ixpk= 1081, nxpk= 23, iat= 372, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 352, 353,
&end
#
# 23 ARG HN 23 ARG HB- 3.50 (# 1082:23 Unique 2.35, 2.62 A)
&rst
ixpk= 1082, nxpk= 23, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 352, 353,
&end
#
# 20 ASN HA 23 ARG HB- 4.50 (# 1083:23 Unique 3.18, 4.14 A)
&rst
ixpk= 1083, nxpk= 23, iat= 298, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 352, 353,
&end
#
# 0 AMB 23-2:1086 94 GLU HB- 4.50 (# 1086:23 Single Ambig)
&rst
ixpk= 1086, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1419,1476,1477,
igr2=1421,1422,
&end
#
# 0 AMB 23-2:1090 94 GLU HB- 3.50 (# 1090:23 Single Ambig)
&rst
ixpk= 1090, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1424,1425,1436,1437,
igr2=1421,1422,
&end
#
# 13 GLU HN 12 ARG HB+ 4.50 (# 1093:23 Unique 2.17, 3.17 A)
&rst
ixpk= 1093, nxpk= 23, iat= 197, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 177, 178,
&end
#
# 12 ARG HN 12 ARG HB+ 3.50 (# 1094:23 Unique 2.58, 3.12 A)
&rst
ixpk= 1094, nxpk= 23, iat= 173, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 177, 178,
&end
#
# 88 ILE HN 88 ILE HG1+ 5.50 (# 1096:23 Unique 2.02, 2.84 A)
&rst
ixpk= 1096, nxpk= 23, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1308,1309,
&end
#
# 21 ILE HN 21 ILE HG1+ 5.50 (# 1097:23 Unique 2.40, 3.17 A)
&rst
ixpk= 1097, nxpk= 23, iat= 310, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 320, 321,
&end
#
# 93 ARG HN 93 ARG HB+ 3.50 (# 1098:23 Unique 2.07, 2.73 A)
&rst
ixpk= 1098, nxpk= 23, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1397,1398,
&end
#
# 94 GLU HN 93 ARG HB+ 4.50 (# 1099:23 Unique 2.44, 2.85 A)
&rst
ixpk= 1099, nxpk= 23, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1397,1398,
&end
#
# 12 ARG HA 12 ARG HB+ 3.50 (# 1101:23 Unique 2.35, 2.65 A)
&rst
ixpk= 1101, nxpk= 23, iat= 175, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 177, 178,
&end
#
# 93 ARG HA 93 ARG HB+ 4.50 (# 1103:23 Unique 2.54, 2.84 A)
&rst
ixpk= 1103, nxpk= 23, iat=1395, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1397,1398,
&end
#
# 88 ILE HA 88 ILE HG1+ 4.50 (# 1104:23 Unique 3.01, 3.40 A)
&rst
ixpk= 1104, nxpk= 23, iat=1300, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1308,1309,
&end
#
# 21 ILE HA 21 ILE HG1+ 4.50 (# 1106:23 Unique 2.46, 2.69 A)
&rst
ixpk= 1106, nxpk= 23, iat= 312, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 320, 321,
&end
#
# 12 ARG HD+ 12 ARG HB+ 4.50 (# 1107:23 Unique 2.00, 3.50 A)
&rst
ixpk= 1107, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 183, 184,
igr2= 177, 178,
&end
#
# 93 ARG HD+ 93 ARG HB+ 4.50 (# 1108:23 Unique 2.06, 2.83 A)
&rst
ixpk= 1108, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1403,1404,
igr2=1397,1398,
&end
#
# 47 ILE HB 21 ILE HG1+ 4.50 (# 1109:23 Unique 4.52, 5.33 A)
&rst
ixpk= 1109, nxpk= 23, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 320, 321,
&end
#
# 12 ARG HG+ 12 ARG HB+ 2.80 (# 1111:23 Unique 2.21, 2.61 A)
&rst
ixpk= 1111, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 180, 181,
igr2= 177, 178,
&end
#
# 17 ALA MB 88 ILE HG1+ 5.50 (# 1112:23 Unique 4.72, 6.14 A)
&rst
ixpk= 1112, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 259, 260, 261,
igr2=1308,1309,
&end
#
# 88 ILE MD1 88 ILE HG1+ 3.50 (# 1116:23 Unique 2.20, 2.62 A)
&rst
ixpk= 1116, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1311,1312,1313,
igr2=1308,1309,
&end
#
# 88 ILE MG2 88 ILE HG1+ 4.50 (# 1118:23 Unique 2.30, 3.49 A)
&rst
ixpk= 1118, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1304,1305,1306,
igr2=1308,1309,
&end
#
# 21 ILE MG2 47 ILE HG1+ 5.50 (# 1119:23 Unique 5.18, 6.05 A)
&rst
ixpk= 1119, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 316, 317, 318,
igr2= 733, 734,
&end
#
# 21 ILE MG2 21 ILE HG1+ 4.50 (# 1122:23 Unique 2.44, 3.33 A)
&rst
ixpk= 1122, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 316, 317, 318,
igr2= 320, 321,
&end
#
# 44 ARG HN 47 ILE HG1+ 4.50 (# 1125:23 Unique 4.18, 5.14 A)
&rst
ixpk= 1125, nxpk= 23, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 733, 734,
&end
#
# 44 ARG HN 44 ARG HB- 3.50 (# 1126:23 Unique 2.57, 3.10 A)
&rst
ixpk= 1126, nxpk= 23, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 92 LEU HN 91 ARG HB+ 4.50 (# 1127:23 Unique 2.74, 3.33 A)
&rst
ixpk= 1127, nxpk= 23, iat=1374, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1354,1355,
&end
#
# 47 ILE HN 47 ILE HG1+ 4.50 (# 1130:23 Unique 2.18, 2.83 A)
&rst
ixpk= 1130, nxpk= 23, iat= 723, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 733, 734,
&end
#
# 47 ILE HN 47 ILE HG1- 5.50 (# 1131:23 Unique 2.18, 2.83 A)
&rst
ixpk= 1131, nxpk= 23, iat= 723, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 733, 734,
&end
#
# 0 AMB 23-2:1132 0 AMB 23-1:1132 5.50 (# 1132:23 Double Ambig)
&rst
ixpk= 1132, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 265, 296,
igr2= 244, 245, 244, 245,
&end
#
# 91 ARG HN 91 ARG HB+ 4.50 (# 1133:23 Unique 2.13, 2.56 A)
&rst
ixpk= 1133, nxpk= 23, iat=1350, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1354,1355,
&end
#
# 45 ILE HN 47 ILE HG1+ 4.50 (# 1134:23 Unique 4.30, 5.11 A)
&rst
ixpk= 1134, nxpk= 23, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 733, 734,
&end
#
# 42 ARG HN 42 ARG HB- 3.50 (# 1136:23 Unique 2.31, 2.96 A)
&rst
ixpk= 1136, nxpk= 23, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 634, 635,
&end
#
# 0 AMB 23-2:1138 42 ARG HB- 4.50 (# 1138:23 Single Ambig)
&rst
ixpk= 1138, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 632, 606,
igr2= 634, 635,
&end
#
# 44 ARG HA 47 ILE HG1+ 4.50 (# 1139:23 Unique 2.10, 2.79 A)
&rst
ixpk= 1139, nxpk= 23, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 733, 734,
&end
#
# 0 AMB 23-2:1140 0 AMB 23-1:1140 4.50 (# 1140:23 Double Ambig)
&rst
ixpk= 1140, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 672,1476,1477,
igr2= 674, 675,1397,1398,
&end
#
# 47 ILE HA 47 ILE HG1+ 4.50 (# 1142:23 Unique 3.68, 3.71 A)
&rst
ixpk= 1142, nxpk= 23, iat= 725, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 733, 734,
&end
#
# 47 ILE HA 47 ILE HG1- 4.50 (# 1143:23 Unique 3.68, 3.71 A)
&rst
ixpk= 1143, nxpk= 23, iat= 725, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 733, 734,
&end
#
# 94 GLU HG+ 93 ARG HB+ 4.50 (# 1145:23 Unique 3.02, 4.11 A)
&rst
ixpk= 1145, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1424,1425,
igr2=1397,1398,
&end
#
# 0 AMB 23-2:1146 0 AMB 23-1:1146 3.50 (# 1146:23 Double Ambig)
&rst
ixpk= 1146, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 201, 202, 244, 245,1460,
igr2= 177, 178, 177, 178,1397,1398,
&end
#
# 47 ILE HG1+ 47 ILE HG1- 4.50 (# 1147:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 0 AMB 23-2:1149 47 ILE HG1- 3.50 (# 1149:23 Single Ambig)
&rst
ixpk= 1149, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 727, 674, 675, 797, 798,
igr2= 733, 734,
&end
#
# 0 AMB 23-2:1152 0 AMB 23-1:1152 3.50 (# 1152:23 Double Ambig)
&rst
ixpk= 1152, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 736, 737, 738, 802, 803, 804, 806, 807, 808,
igr2= 733, 734, 733, 734,
&end
#
# 0 AMB 23-2:1153 47 ILE HG1- 3.50 (# 1153:23 Single Ambig)
&rst
ixpk= 1153, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 736, 737, 738, 802, 803, 804, 806, 807, 808,
igr2= 733, 734,
&end
#
# 21 ILE MG2 47 ILE HG1- 5.50 (# 1156:23 Unique 5.18, 6.05 A)
&rst
ixpk= 1156, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 316, 317, 318,
igr2= 733, 734,
&end
#
# 49 LYS HN 49 LYS HD+ 4.50 (# 1158:23 Unique 3.05, 4.06 A)
&rst
ixpk= 1158, nxpk= 23, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 762, 763,
&end
#
# 0 AMB 23-2:1159 0 AMB 23-1:1159 2.80 (# 1159:23 Double Ambig)
&rst
ixpk= 1159, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 240, 549,
igr2= 244, 245, 538, 539,
&end
#
# 17 ALA HN 16 GLU HB+ 4.50 (# 1161:23 Unique 2.09, 2.83 A)
&rst
ixpk= 1161, nxpk= 23, iat= 255, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 244, 245,
&end
#
# 0 AMB 23-2:1168 0 AMB 23-1:1168 4.50 (# 1168:23 Double Ambig)
&rst
ixpk= 1168, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 754, 595, 596, 595, 596,
igr2= 762, 763, 762, 763, 762, 763,
&end
#
# 49 LYS HE+ 49 LYS HD+ 4.50 (# 1171:23 Unique 2.38, 2.57 A)
&rst
ixpk= 1171, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 765, 766,
igr2= 762, 763,
&end
#
# 49 LYS HB+ 49 LYS HD+ 4.50 (# 1173:23 Unique 1.93, 2.99 A)
&rst
ixpk= 1173, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 756, 757,
igr2= 762, 763,
&end
#
# 49 LYS HG- 49 LYS HD+ 3.50 (# 1174:23 Unique 2.22, 2.69 A)
&rst
ixpk= 1174, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 759, 760,
igr2= 762, 763,
&end
#
# 39 THR MG2 49 LYS HD+ 4.50 (# 1175:23 Unique 2.67, 3.66 A)
&rst
ixpk= 1175, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 608, 609, 610,
igr2= 762, 763,
&end
#
# 13 GLU HN 13 GLU HB+ 4.50 (# 1179:23 Unique 2.06, 2.62 A)
&rst
ixpk= 1179, nxpk= 23, iat= 197, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 201, 202,
&end
#
# 13 GLU HN 13 GLU HB+ 4.50 (# 1180:23 Unique 2.06, 2.62 A)
&rst
ixpk= 1180, nxpk= 23, iat= 197, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 201, 202,
&end
#
# 0 AMB 23-2:1181 0 AMB 23-1:1181 3.50 (# 1181:23 Double Ambig)
&rst
ixpk= 1181, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 534, 126,
igr2= 538, 539, 201, 202,
&end
#
# 0 AMB 23-2:1183 0 AMB 23-1:1183 3.50 (# 1183:23 Double Ambig)
&rst
ixpk= 1183, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 240, 549,
igr2= 244, 245, 538, 539,
&end
#
# 53 LYS HN 53 LYS HD+ 4.50 (# 1184:23 Unique 2.27, 3.96 A)
&rst
ixpk= 1184, nxpk= 23, iat= 823, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 833, 834,
&end
#
# 54 GLN HA 54 GLN HB- 4.50 (# 1186:23 Unique 2.38, 2.79 A)
&rst
ixpk= 1186, nxpk= 23, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 849, 850,
&end
#
# 0 AMB 23-2:1187 0 AMB 23-1:1187 2.80 (# 1187:23 Double Ambig)
&rst
ixpk= 1187, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 199, 242, 128, 480, 595, 596,
igr2= 201, 202, 244, 245, 201, 202, 244, 245, 538, 539,
538, 539,
&end
#
# 0 AMB 23-2:1188 0 AMB 23-1:1188 4.50 (# 1188:23 Double Ambig)
&rst
ixpk= 1188, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 463, 214,
igr2= 538, 539, 244, 245,
&end
#
# 54 GLN HG+ 54 GLN HB- 3.50 (# 1190:23 Unique 2.21, 2.66 A)
&rst
ixpk= 1190, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 852, 853,
igr2= 849, 850,
&end
#
# 37 GLU HN 37 GLU HB+ 4.50 (# 1191:23 Unique 2.21, 2.54 A)
&rst
ixpk= 1191, nxpk= 23, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 580, 581,
&end
#
# 93 ARG HN 93 ARG HG+ 4.50 (# 1192:23 Unique 2.62, 3.84 A)
&rst
ixpk= 1192, nxpk= 23, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1400,1401,
&end
#
# 93 ARG HN 93 ARG HG- 4.50 (# 1193:23 Unique 2.62, 3.84 A)
&rst
ixpk= 1193, nxpk= 23, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1400,1401,
&end
#
# 64 LEU HA 63 LYS HD+ 4.50 (# 1195:23 Unique 3.09, 4.73 A)
&rst
ixpk= 1195, nxpk= 23, iat= 961, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 947, 948,
&end
#
# 37 GLU HA 37 GLU HB+ 3.50 (# 1196:23 Unique 2.38, 2.73 A)
&rst
ixpk= 1196, nxpk= 23, iat= 578, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 580, 581,
&end
#
# 0 AMB 23-2:1197 0 AMB 23-1:1197 5.50 (# 1197:23 Double Ambig)
&rst
ixpk= 1197, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 776, 816, 817,
igr2= 833, 834, 833, 834,
&end
#
# 93 ARG HA 93 ARG HG- 4.50 (# 1198:23 Unique 2.34, 2.53 A)
&rst
ixpk= 1198, nxpk= 23, iat=1395, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1400,1401,
&end
#
# 93 ARG HD+ 93 ARG HG+ 4.50 (# 1199:23 Unique 2.23, 2.71 A)
&rst
ixpk= 1199, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1403,1404,
igr2=1400,1401,
&end
#
# 93 ARG HD+ 93 ARG HG- 4.50 (# 1200:23 Unique 2.23, 2.71 A)
&rst
ixpk= 1200, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1403,1404,
igr2=1400,1401,
&end
#
# 53 LYS HE+ 53 LYS HD+ 4.50 (# 1201:23 Unique 2.22, 2.69 A)
&rst
ixpk= 1201, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 836, 837,
igr2= 833, 834,
&end
#
# 63 LYS HE+ 63 LYS HD+ 4.50 (# 1202:23 Unique 2.22, 2.67 A)
&rst
ixpk= 1202, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 950, 951,
igr2= 947, 948,
&end
#
# 53 LYS HG+ 53 LYS HD+ 3.50 (# 1203:23 Unique 2.22, 2.65 A)
&rst
ixpk= 1203, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 830, 831,
igr2= 833, 834,
&end
#
# 33 LEU MDX 93 ARG HG- 4.50 (# 1204:23 Unique 2.00, 3.81 A)
&rst
ixpk= 1204, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 524, 525, 526, 528, 529, 530,
igr2=1400,1401,
&end
#
# 32 PHE HN 31 GLN HB+ 5.50 (# 1206:23 Unique 2.38, 3.07 A)
&rst
ixpk= 1206, nxpk= 23, iat= 495, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 482, 483,
&end
#
# 28 THR HN 31 GLN HB+ 4.50 (# 1207:23 Unique 1.94, 2.65 A)
&rst
ixpk= 1207, nxpk= 23, iat= 432, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 482, 483,
&end
#
# 31 GLN HN 31 GLN HB+ 4.50 (# 1210:23 Unique 2.46, 3.09 A)
&rst
ixpk= 1210, nxpk= 23, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 482, 483,
&end
#
# 27 SER HA 31 GLN HB+ 5.60 (# 1212:23 Unique 3.80, 4.17 A)
&rst
ixpk= 1212, nxpk= 23, iat= 423, -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr2= 482, 483,
&end
#
# 31 GLN HA 31 GLN HB+ 4.50 (# 1213:23 Unique 2.39, 2.73 A)
&rst
ixpk= 1213, nxpk= 23, iat= 480, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 482, 483,
&end
#
# 84 ASP HB+ 87 GLN HB+ 4.50 (# 1216:23 Unique 2.00, 4.35 A)
&rst
ixpk= 1216, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1245,1246,
igr2=1285,1286,
&end
#
# 0 AMB 23-2:1220 0 AMB 23-1:1220 4.50 (# 1220:23 Double Ambig)
&rst
ixpk= 1220, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,1308,1309,
igr2=1285,1286,1285,1286,1285,1286,
&end
#
# 50 LEU MDY 31 GLN HB+ 5.50 (# 1221:23 Unique 3.38, 5.45 A)
&rst
ixpk= 1221, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 783, 784, 785, 787, 788, 789,
igr2= 482, 483,
&end
#
# 0 AMB 23-2:1222 0 AMB 23-1:1222 4.50 (# 1222:23 Double Ambig)
&rst
ixpk= 1222, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1= 524, 525, 526, 528, 529, 530,1326,1327,1328,1330,
1331,1332, 783, 784, 785, 787, 788, 789,
igr2=1400,1401,1400,1401, 482, 483,
&end
#
# 44 ARG HN 44 ARG HG+ 5.50 (# 1224:23 Unique 1.93, 2.69 A)
&rst
ixpk= 1224, nxpk= 23, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 677, 678,
&end
#
# 86 GLN HN 86 GLN HB+ 3.50 (# 1225:23 Unique 2.34, 3.09 A)
&rst
ixpk= 1225, nxpk= 23, iat=1264, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1268,1269,
&end
#
# 27 SER HB- 31 GLN HB+ 5.50 (# 1229:23 Unique 2.00, 3.36 A)
&rst
ixpk= 1229, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 425, 426,
igr2= 482, 483,
&end
#
# 86 GLN HG+ 86 GLN HB+ 3.50 (# 1230:23 Unique 2.21, 2.68 A)
&rst
ixpk= 1230, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 0 AMB 23-2:1231 0 AMB 23-1:1231 4.50 (# 1231:23 Double Ambig)
&rst
ixpk= 1231, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 672, 656,
igr2= 677, 678, 677, 678,
&end
#
# 96 VAL MGX 30 GLN HB- 5.50 (# 1235:23 Unique 4.16, 6.77 A)
&rst
ixpk= 1235, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1462,1463,1464,1466,1467,1468,
igr2= 465, 466,
&end
#
# 31 GLN HN 30 GLN HB- 5.50 (# 1241:23 Unique 2.37, 3.10 A)
&rst
ixpk= 1241, nxpk= 23, iat= 478, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 465, 466,
&end
#
# 45 ILE HN 44 ARG HG+ 4.50 (# 1243:23 Unique 2.00, 2.23 A)
&rst
ixpk= 1243, nxpk= 23, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 677, 678,
&end
#
# 45 ILE HN 45 ILE HG1- 4.50 (# 1244:23 Unique 1.94, 2.58 A)
&rst
ixpk= 1244, nxpk= 23, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 704, 705,
&end
#
# 45 ILE HA 45 ILE HG1- 4.50 (# 1250:23 Unique 2.57, 2.86 A)
&rst
ixpk= 1250, nxpk= 23, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 704, 705,
&end
#
# 95 ARG HD- 95 ARG HG+ 4.50 (# 1256:23 Unique 2.22, 2.71 A)
&rst
ixpk= 1256, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1442,1443,
igr2=1439,1440,
&end
#
# 0 AMB 23-2:1257 30 GLN HB- 4.50 (# 1257:23 Single Ambig)
&rst
ixpk= 1257, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 468, 469, 485, 486,
igr2= 465, 466,
&end
#
# 0 AMB 23-2:1258 30 GLN HB- 4.50 (# 1258:23 Single Ambig)
&rst
ixpk= 1258, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 468, 469, 541, 542,
igr2= 465, 466,
&end
#
# 0 AMB 23-2:1261 45 ILE HG1- 4.50 (# 1261:23 Single Ambig)
&rst
ixpk= 1261, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 634, 635, 698,
igr2= 704, 705,
&end
#
# 44 ARG HB+ 44 ARG HG+ 3.50 (# 1264:23 Unique 2.27, 2.72 A)
&rst
ixpk= 1264, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 674, 675,
igr2= 677, 678,
&end
#
# 44 ARG HG+ 45 ILE HG1- 3.50 (# 1267:23 Unique 2.10, 3.04 A)
&rst
ixpk= 1267, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 677, 678,
igr2= 704, 705,
&end
#
# 45 ILE MG2 45 ILE HG1- 4.50 (# 1271:23 Unique 2.41, 3.49 A)
&rst
ixpk= 1271, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 700, 701, 702,
igr2= 704, 705,
&end
#
# 45 ILE MD1 45 ILE HG1- 4.50 (# 1273:23 Unique 2.21, 2.62 A)
&rst
ixpk= 1273, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 707, 708, 709,
igr2= 704, 705,
&end
#
# 95 ARG HD- 95 ARG HG+ 4.50 (# 1280:23 Unique 2.22, 2.71 A)
&rst
ixpk= 1280, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1442,1443,
igr2=1439,1440,
&end
#
# 0 AMB 23-2:1283 0 AMB 23-1:1283 3.50 (# 1283:23 Double Ambig)
&rst
ixpk= 1283, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 959, 42,
igr2= 966, 68,
&end
#
# 89 LEU HN 89 LEU HG 5.50 (# 1284:23 Unique 3.81, 4.28 A)
&rst
ixpk= 1284, nxpk= 23, iat=1317,1324, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:1286 0 AMB 23-1:1286 4.50 (# 1286:23 Double Ambig)
&rst
ixpk= 1286, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1030, 961, 939,
igr2=1035,1036, 966,
&end
#
# 0 AMB 23-2:1288 0 AMB 23-1:1288 4.50 (# 1288:23 Double Ambig)
&rst
ixpk= 1288, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 63, 175,
igr2= 68, 180, 181,
&end
#
# 89 LEU HA 89 LEU HG 5.50 (# 1289:23 Unique 2.35, 2.93 A)
&rst
ixpk= 1289, nxpk= 23, iat=1319,1324, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:1291 0 AMB 23-1:1291 4.50 (# 1291:23 Double Ambig)
&rst
ixpk= 1291, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 183, 184,1038,1039,
igr2= 180, 181,1035,1036,
&end
#
# 0 AMB 23-2:1294 89 LEU HG 4.50 (# 1294:23 Single Ambig)
&rst
ixpk= 1294, nxpk= 23, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1321,1322,1397,1398,1302,
&end
#
# 89 LEU MDX 89 LEU HG 4.50 (# 1295:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1295, nxpk= 23, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 LEU MDY 89 LEU HG 4.50 (# 1296:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1296, nxpk= 23, iat= -1,1324, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 74 LEU HN 74 LEU HG 4.50 (# 1297:23 Unique 2.01, 4.00 A)
&rst
ixpk= 1297, nxpk= 23, iat=1086,1093, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 LEU HA 74 LEU HG 4.50 (# 1302:23 Unique 2.15, 2.90 A)
&rst
ixpk= 1302, nxpk= 23, iat=1088,1093, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 THR MG2 51 LEU HG 5.50 (# 1311:23 Unique 2.77, 3.02 A)
&rst
ixpk= 1311, nxpk= 23, iat= -1, 800, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 399, 400, 401,
&end
#
# 74 LEU MDX 74 LEU HG 3.50 (# 1312:23 Unique 2.21, 2.63 A)
&rst
ixpk= 1312, nxpk= 23, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1095,1096,1097,1099,1100,1101,
&end
#
# 51 LEU MDY 51 LEU HG 4.50 (# 1313:23 Unique 2.21, 2.63 A)
&rst
ixpk= 1313, nxpk= 23, iat= -1, 800, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 92 LEU MDY 0 AMB 23-1:1314 4.50 (# 1314:23 Single Ambig)
&rst
ixpk= 1314, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1383,1384,1385,1387,1388,1389,
igr2=1381, 522,
&end
#
# 0 AMB 23-2:1315 0 AMB 23-1:1315 4.50 (# 1315:23 Double Ambig)
&rst
ixpk= 1315, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 515,1374,
igr2= 522,1381,
&end
#
# 51 LEU HN 51 LEU HG 3.50 (# 1316:23 Unique 2.64, 2.65 A)
&rst
ixpk= 1316, nxpk= 23, iat= 793, 800, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 23-2:1317 92 LEU HG 4.50 (# 1317:23 Single Ambig)
&rst
ixpk= 1317, nxpk= 23, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1393, 549,
&end
#
# 19 ASP HA 22 LEU MDX 5.50 (# 1318:23 Unique 3.24, 5.11 A)
&rst
ixpk= 1318, nxpk= 23, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 23-2:1319 0 AMB 23-1:1319 4.50 (# 1319:23 Double Ambig)
&rst
ixpk= 1319, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1395,1376, 463,
igr2= 522,1381,
&end
#
# 0 AMB 23-2:1320 0 AMB 23-1:1320 3.50 (# 1320:23 Double Ambig)
&rst
ixpk= 1320, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1460, 336,
igr2= 524, 525, 526, 528, 529, 530, 338, 339, 340, 342,
343, 344,
&end
#
# 0 AMB 23-2:1321 22 LEU MDX 4.50 (# 1321:23 Single Ambig)
&rst
ixpk= 1321, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 352, 353, 352, 353,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 92 LEU HB+ 92 LEU HG 4.50 (# 1322:23 Unique 2.41, 2.72 A)
&rst
ixpk= 1322, nxpk= 23, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1378,1379,
&end
#
# 33 LEU HB- 33 LEU MDX 4.50 (# 1323:23 Unique 2.27, 3.31 A)
&rst
ixpk= 1323, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 519, 520,
igr2= 524, 525, 526, 528, 529, 530,
&end
#
# 51 LEU MDX 51 LEU HG 4.50 (# 1324:23 Unique 2.21, 2.63 A)
&rst
ixpk= 1324, nxpk= 23, iat= -1, 800, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 92 LEU MDX 92 LEU HG 4.50 (# 1325:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1325, nxpk= 23, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1383,1384,1385,1387,1388,1389,
&end
#
# 22 LEU MDY 22 LEU MDX 4.50 (# 1326:23 Unique 0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
# 91 ARG HA 91 ARG HG+ 5.60 (# 1329:23 Unique 2.20, 3.24 A)
&rst
ixpk= 1329, nxpk= 23, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr2=1357,1358,
&end
#
# 91 ARG HA 91 ARG HG- 5.50 (# 1330:23 Unique 2.20, 3.24 A)
&rst
ixpk= 1330, nxpk= 23, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1357,1358,
&end
#
# 91 ARG HD+ 91 ARG HG- 4.50 (# 1331:23 Unique 2.22, 2.69 A)
&rst
ixpk= 1331, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1360,1361,
igr2=1357,1358,
&end
#
# 91 ARG HD+ 91 ARG HG+ 4.50 (# 1332:23 Unique 2.22, 2.69 A)
&rst
ixpk= 1332, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1360,1361,
igr2=1357,1358,
&end
#
# 91 ARG HD- 91 ARG HG+ 4.50 (# 1334:23 Unique 2.22, 2.69 A)
&rst
ixpk= 1334, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1360,1361,
igr2=1357,1358,
&end
#
# 91 ARG HG- 91 ARG HG+ 4.50 (# 1337:23 Unique 0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
# 0 AMB 23-2:1338 0 AMB 23-1:1338 4.50 (# 1338:23 Double Ambig)
&rst
ixpk= 1338, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.53, r4=10.28,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224, 278, 279, 280,
igr2=1357,1358,1357,1358,1357,1358,
&end
#
# 0 AMB 23-2:1339 91 ARG HG- 4.50 (# 1339:23 Single Ambig)
&rst
ixpk= 1339, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224, 278, 279, 280,
igr2=1357,1358,
&end
#
# 89 LEU HN 89 LEU MDX 4.50 (# 1341:23 Unique 3.83, 5.12 A)
&rst
ixpk= 1341, nxpk= 23, iat=1317, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 50 LEU HN 50 LEU HG 4.50 (# 1342:23 Unique 3.18, 3.26 A)
&rst
ixpk= 1342, nxpk= 23, iat= 774, 781, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 LEU HA 50 LEU HG 5.50 (# 1343:23 Unique 2.28, 2.32 A)
&rst
ixpk= 1343, nxpk= 23, iat= 776, 781, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:1344 0 AMB 23-1:1344 4.50 (# 1344:23 Double Ambig)
&rst
ixpk= 1344, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 618, 619, 395, 744, 561,
igr2=1326,1327,1328,1330,1331,1332, 802, 803, 804, 806,
807, 808,
&end
#
# 0 AMB 23-2:1346 50 LEU HG 4.50 (# 1346:23 Single Ambig)
&rst
ixpk= 1346, nxpk= 23, iat= -1, 781, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 778, 779, 756, 757,
&end
#
# 0 AMB 23-2:1347 0 AMB 23-1:1347 3.50 (# 1347:23 Double Ambig)
&rst
ixpk= 1347, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1=1321,1322,1400,1401, 797, 798, 727,
igr2=1326,1327,1328,1330,1331,1332, 802, 803, 804, 806,
807, 808,
&end
#
# 51 LEU HG 51 LEU MDX 4.50 (# 1348:23 Unique 2.21, 2.63 A)
&rst
ixpk= 1348, nxpk= 23, iat= 800, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 50 LEU HB- 50 LEU HG 5.50 (# 1349:23 Unique 2.70, 2.84 A)
&rst
ixpk= 1349, nxpk= 23, iat= -1, 781, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 778, 779,
&end
#
# 0 AMB 23-2:1350 89 LEU MDX 3.50 (# 1350:23 Single Ambig)
&rst
ixpk= 1350, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1321,1322,1324,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 50 LEU MDY 50 LEU HG 4.50 (# 1352:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1352, nxpk= 23, iat= -1, 781, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 783, 784, 785, 787, 788, 789,
&end
#
# 50 LEU MDX 50 LEU HG 4.50 (# 1353:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1353, nxpk= 23, iat= -1, 781, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 783, 784, 785, 787, 788, 789,
&end
#
# 22 LEU MDX 22 LEU HG 4.50 (# 1354:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1354, nxpk= 23, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 23-2:1355 22 LEU HG 4.50 (# 1355:23 Single Ambig)
&rst
ixpk= 1355, nxpk= 23, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 329, 284,
&end
#
# 50 LEU HN 50 LEU MDX 5.50 (# 1356:23 Unique 3.22, 4.61 A)
&rst
ixpk= 1356, nxpk= 23, iat= 774, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 32 PHE HD 22 LEU HG 5.60 (# 1357:23 Unique 5.17, 6.34 A)
&rst
ixpk= 1357, nxpk= 23, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr1= 503, 511,
&end
#
# 19 ASP HA 22 LEU HG 5.50 (# 1358:23 Unique 3.99, 4.07 A)
&rst
ixpk= 1358, nxpk= 23, iat= 286, 336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:1359 50 LEU MDX 4.50 (# 1359:23 Single Ambig)
&rst
ixpk= 1359, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 776, 480,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 22 LEU HA 22 LEU HG 5.50 (# 1360:23 Unique 3.51, 3.52 A)
&rst
ixpk= 1360, nxpk= 23, iat= 331, 336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 23-2:1361 22 LEU HG 4.50 (# 1361:23 Single Ambig)
&rst
ixpk= 1361, nxpk= 23, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 352, 353, 352, 353,
&end
#
# 22 LEU HB- 22 LEU HG 4.50 (# 1362:23 Unique 2.38, 2.70 A)
&rst
ixpk= 1362, nxpk= 23, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 333, 334,
&end
#
# 22 LEU MDY 22 LEU HG 4.50 (# 1363:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1363, nxpk= 23, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 49 LYS HN 49 LYS HG+ 5.50 (# 1364:23 Unique 3.79, 4.21 A)
&rst
ixpk= 1364, nxpk= 23, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 759, 760,
&end
#
# 0 AMB 23-2:1365 49 LYS HG- 4.50 (# 1365:23 Single Ambig)
&rst
ixpk= 1365, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 752, 774,
igr2= 759, 760,
&end
#
# 32 PHE HD 50 LEU MDX 4.50 (# 1366:23 Unique 3.38, 6.94 A)
&rst
ixpk= 1366, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 503, 511,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 49 LYS HA 49 LYS HG- 3.50 (# 1370:23 Unique 2.03, 2.66 A)
&rst
ixpk= 1370, nxpk= 23, iat= 754, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 759, 760,
&end
#
# 0 AMB 23-2:1371 0 AMB 23-1:1371 4.50 (# 1371:23 Double Ambig)
&rst
ixpk= 1371, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 715, 696,
igr2= 759, 760, 759, 760,
&end
#
# 0 AMB 23-2:1372 49 LYS HG- 5.60 (# 1372:23 Single Ambig)
&rst
ixpk= 1372, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
igr1= 715, 696,
igr2= 759, 760,
&end
#
# 27 SER HB- 50 LEU MDX 4.50 (# 1374:23 Unique 2.95, 4.89 A)
&rst
ixpk= 1374, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 425, 426,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 47 ILE HA 50 LEU MDX 4.50 (# 1375:23 Unique 2.98, 5.01 A)
&rst
ixpk= 1375, nxpk= 23, iat= 725, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 50 LEU HB+ 50 LEU MDX 4.50 (# 1378:23 Unique 2.00, 3.21 A)
&rst
ixpk= 1378, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 778, 779,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 35 ALA MB 50 LEU MDX 5.50 (# 1380:23 Unique 2.00, 4.90 A)
&rst
ixpk= 1380, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 553, 554, 555,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 25 THR MG2 50 LEU MDX 4.50 (# 1381:23 Unique 3.00, 4.86 A)
&rst
ixpk= 1381, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 399, 400, 401,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 21 ILE MG2 50 LEU MDX 5.50 (# 1382:23 Unique 4.49, 6.86 A)
&rst
ixpk= 1382, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 316, 317, 318,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 74 LEU HN 74 LEU MDX 5.50 (# 1383:23 Unique 2.19, 4.72 A)
&rst
ixpk= 1383, nxpk= 23, iat=1086, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1095,1096,1097,1099,1100,1101,
&end
#
# 74 LEU HA 74 LEU MDX 4.50 (# 1385:23 Unique 2.00, 3.68 A)
&rst
ixpk= 1385, nxpk= 23, iat=1088, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1095,1096,1097,1099,1100,1101,
&end
#
# 49 LYS HE+ 49 LYS HG- 4.50 (# 1386:23 Unique 2.34, 3.44 A)
&rst
ixpk= 1386, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 765, 766,
igr2= 759, 760,
&end
#
# 49 LYS HB+ 49 LYS HG- 4.50 (# 1387:23 Unique 2.21, 2.67 A)
&rst
ixpk= 1387, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 756, 757,
igr2= 759, 760,
&end
#
# 49 LYS HD+ 49 LYS HG- 2.80 (# 1388:23 Unique 2.22, 2.69 A)
&rst
ixpk= 1388, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 762, 763,
igr2= 759, 760,
&end
#
# 74 LEU HB- 74 LEU MDX 4.50 (# 1389:23 Unique 2.02, 3.33 A)
&rst
ixpk= 1389, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1090,1091,
igr2=1095,1096,1097,1099,1100,1101,
&end
#
# 0 AMB 23-2:1392 0 AMB 23-1:1392 3.50 (# 1392:23 Double Ambig)
&rst
ixpk= 1392, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1054, 961,1030,
igr2=1059,1060, 944, 945,1059,1060,
&end
#
# 0 AMB 23-2:1394 0 AMB 23-1:1394 4.50 (# 1394:23 Double Ambig)
&rst
ixpk= 1394, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 950, 951,1065,1066,
igr2= 944, 945,1059,1060,
&end
#
# 0 AMB 23-2:1396 0 AMB 23-1:1396 2.80 (# 1396:23 Double Ambig)
&rst
ixpk= 1396, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 947, 948, 963, 964,
igr2= 944, 945, 944, 945,
&end
#
# 0 AMB 23-2:1398 92 LEU MDY 5.50 (# 1398:23 Single Ambig)
&rst
ixpk= 1398, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 515,1374,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 53 LYS HN 53 LYS HG+ 4.50 (# 1399:23 Unique 1.94, 2.84 A)
&rst
ixpk= 1399, nxpk= 23, iat= 823, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 830, 831,
&end
#
# 32 PHE HD 92 LEU MDY 4.50 (# 1400:23 Unique 1.98, 4.58 A)
&rst
ixpk= 1400, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 503, 511,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 32 PHE HE 92 LEU MDY 4.50 (# 1401:23 Unique 3.02, 5.74 A)
&rst
ixpk= 1401, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 505, 509,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 53 LYS HA 53 LYS HG+ 3.50 (# 1403:23 Unique 2.56, 3.58 A)
&rst
ixpk= 1403, nxpk= 23, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 830, 831,
&end
#
# 0 AMB 23-2:1404 0 AMB 23-1:1404 3.50 (# 1404:23 Double Ambig)
&rst
ixpk= 1404, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 776, 816, 817, 754,
igr2= 830, 831, 830, 831, 830, 831,
&end
#
# 92 LEU HA 92 LEU MDY 4.50 (# 1405:23 Unique 2.16, 3.88 A)
&rst
ixpk= 1405, nxpk= 23, iat=1376, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 33 LEU HA 92 LEU MDY 4.50 (# 1406:23 Unique 2.10, 3.41 A)
&rst
ixpk= 1406, nxpk= 23, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 53 LYS HE+ 53 LYS HG+ 4.50 (# 1407:23 Unique 2.00, 3.19 A)
&rst
ixpk= 1407, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 836, 837,
igr2= 830, 831,
&end
#
# 36 MET HB+ 92 LEU MDY 5.50 (# 1408:23 Unique 1.99, 4.75 A)
&rst
ixpk= 1408, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 563, 564,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 0 AMB 23-2:1409 92 LEU MDY 4.50 (# 1409:23 Single Ambig)
&rst
ixpk= 1409, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 566, 567,1460,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 53 LYS HB- 53 LYS HG+ 4.50 (# 1410:23 Unique 2.21, 2.66 A)
&rst
ixpk= 1410, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 827, 828,
igr2= 830, 831,
&end
#
# 92 LEU HB+ 92 LEU MDY 4.50 (# 1411:23 Unique 2.26, 3.29 A)
&rst
ixpk= 1411, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1378,1379,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 53 LYS HD+ 53 LYS HG+ 3.50 (# 1412:23 Unique 2.22, 2.65 A)
&rst
ixpk= 1412, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 833, 834,
igr2= 830, 831,
&end
#
# 0 AMB 23-2:1413 92 LEU MDY 4.50 (# 1413:23 Single Ambig)
&rst
ixpk= 1413, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 563, 564, 566, 567,1381,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 33 LEU HB- 92 LEU MDY 5.60 (# 1414:23 Unique 3.37, 5.35 A)
&rst
ixpk= 1414, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.47, r4= 9.22,
igr1= 519, 520,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 33 LEU MDY 92 LEU MDY 5.60 (# 1415:23 Unique 3.30, 6.31 A)
&rst
ixpk= 1415, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.18, r4=10.93,
igr1= 524, 525, 526, 528, 529, 530,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 88 ILE MG2 92 LEU MDY 4.50 (# 1417:23 Unique 3.32, 5.89 A)
&rst
ixpk= 1417, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1304,1305,1306,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 92 LEU MDX 92 LEU MDY 4.50 (# 1418:23 Unique 0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
# 32 PHE HB+ 92 LEU MDY 5.50 (# 1419:23 Unique 2.22, 4.33 A)
&rst
ixpk= 1419, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 499, 500,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 0 AMB 23-2:1421 92 LEU MDX 4.50 (# 1421:23 Single Ambig)
&rst
ixpk= 1421, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 515,1374,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 32 PHE HD 92 LEU MDX 4.50 (# 1422:23 Unique 1.98, 4.58 A)
&rst
ixpk= 1422, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 503, 511,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 32 PHE HE 92 LEU MDX 3.50 (# 1423:23 Unique 3.02, 5.74 A)
&rst
ixpk= 1423, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 505, 509,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 92 LEU HA 92 LEU MDX 3.50 (# 1424:23 Unique 2.16, 3.88 A)
&rst
ixpk= 1424, nxpk= 23, iat=1376, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 33 LEU HA 92 LEU MDX 4.50 (# 1425:23 Unique 2.10, 3.41 A)
&rst
ixpk= 1425, nxpk= 23, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 32 PHE HB+ 92 LEU MDX 4.50 (# 1426:23 Unique 2.22, 4.33 A)
&rst
ixpk= 1426, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 499, 500,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 0 AMB 23-2:1428 92 LEU MDX 4.50 (# 1428:23 Single Ambig)
&rst
ixpk= 1428, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 566, 567,1460,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 92 LEU HB+ 92 LEU MDX 4.50 (# 1429:23 Unique 2.26, 3.29 A)
&rst
ixpk= 1429, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1378,1379,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 0 AMB 23-2:1430 92 LEU MDX 4.50 (# 1430:23 Single Ambig)
&rst
ixpk= 1430, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 563, 564, 566, 567,1381,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 33 LEU HB- 92 LEU MDX 5.50 (# 1431:23 Unique 3.37, 5.35 A)
&rst
ixpk= 1431, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 519, 520,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 0 AMB 23-2:1432 92 LEU MDX 4.50 (# 1432:23 Single Ambig)
&rst
ixpk= 1432, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1462,1463,1464,1466,1467,1468, 271, 272, 273, 278,
279, 280,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 92 LEU MDY 92 LEU MDX 4.50 (# 1433:23 Unique 0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
# 0 AMB 23-2:1435 0 AMB 23-1:1435 4.50 (# 1435:23 Double Ambig)
&rst
ixpk= 1435, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1088,1180,
igr2=1095,1096,1097,1099,1100,1101,1187,1188,1189,1191,
1192,1193,
&end
#
# 33 LEU HA 33 LEU MDY 4.50 (# 1436:23 Unique 2.26, 3.86 A)
&rst
ixpk= 1436, nxpk= 23, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 524, 525, 526, 528, 529, 530,
&end
#
# 34 GLU HG- 33 LEU MDY 4.50 (# 1437:23 Unique 4.70, 6.12 A)
&rst
ixpk= 1437, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 541, 542,
igr2= 524, 525, 526, 528, 529, 530,
&end
#
# 0 AMB 23-2:1439 33 LEU MDY 3.50 (# 1439:23 Single Ambig)
&rst
ixpk= 1439, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1400,1401,1397,1398,
igr2= 524, 525, 526, 528, 529, 530,
&end
#
# 0 AMB 23-2:1440 0 AMB 23-1:1440 3.50 (# 1440:23 Double Ambig)
&rst
ixpk= 1440, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1400,1401, 65, 66, 522,
igr2= 524, 525, 526, 528, 529, 530, 70, 71, 72, 74,
75, 76,
&end
#
# 0 AMB 23-2:1441 0 AMB 23-1:1441 3.50 (# 1441:23 Double Ambig)
&rst
ixpk= 1441, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1093,1185,
igr2=1095,1096,1097,1099,1100,1101,1187,1188,1189,1191,
1192,1193,
&end
#
# 0 AMB 23-2:1442 0 AMB 23-1:1442 3.50 (# 1442:23 Double Ambig)
&rst
ixpk= 1442, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1090,1091,1321,1322,1324,
igr2=1095,1096,1097,1099,1100,1101,1326,1327,1328,1330,
1331,1332,
&end
#
# 33 LEU HB- 33 LEU MDY 4.50 (# 1443:23 Unique 2.27, 3.31 A)
&rst
ixpk= 1443, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 519, 520,
igr2= 524, 525, 526, 528, 529, 530,
&end
#
# 89 LEU HN 89 LEU MDY 5.50 (# 1445:23 Unique 3.83, 5.12 A)
&rst
ixpk= 1445, nxpk= 23, iat=1317, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 89 LEU HA 89 LEU MDY 4.50 (# 1447:23 Unique 2.00, 3.68 A)
&rst
ixpk= 1447, nxpk= 23, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 0 AMB 23-2:1448 89 LEU MDY 4.50 (# 1448:23 Single Ambig)
&rst
ixpk= 1448, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 563, 564, 583, 584,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 0 AMB 23-2:1449 89 LEU MDY 4.50 (# 1449:23 Single Ambig)
&rst
ixpk= 1449, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1400,1401,1378,1379,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 51 LEU HN 51 LEU MDY 3.50 (# 1450:23 Unique 3.74, 4.56 A)
&rst
ixpk= 1450, nxpk= 23, iat= 793, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 51 LEU HA 51 LEU MDY 3.50 (# 1452:23 Unique 2.00, 3.70 A)
&rst
ixpk= 1452, nxpk= 23, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 43 VAL HB 43 VAL MGX 4.50 (# 1453:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1453, nxpk= 23, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 44 ARG HB+ 43 VAL MGX 5.50 (# 1454:23 Unique 3.53, 5.93 A)
&rst
ixpk= 1454, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 674, 675,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 21 ILE HB 43 VAL MGX 5.60 (# 1455:23 Unique 3.63, 5.55 A)
&rst
ixpk= 1455, nxpk= 23, iat= 314, -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 51 LEU HG 51 LEU MDY 4.50 (# 1456:23 Unique 2.21, 2.63 A)
&rst
ixpk= 1456, nxpk= 23, iat= 800, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 44 ARG HG+ 43 VAL MGX 5.50 (# 1457:23 Unique 3.70, 6.34 A)
&rst
ixpk= 1457, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 677, 678,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 51 LEU HB- 51 LEU MDY 3.50 (# 1458:23 Unique 2.32, 3.29 A)
&rst
ixpk= 1458, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 797, 798,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 46 ALA MB 43 VAL MGX 4.50 (# 1459:23 Unique 3.15, 5.99 A)
&rst
ixpk= 1459, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 717, 718, 719,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 25 THR MG2 51 LEU MDY 4.50 (# 1460:23 Unique 2.03, 4.26 A)
&rst
ixpk= 1460, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 399, 400, 401,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 43 VAL MGY 43 VAL MGX 3.50 (# 1461:23 Unique 0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
# 0 AMB 23-2:1462 43 VAL MGX 4.50 (# 1462:23 Single Ambig)
&rst
ixpk= 1462, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 736, 737, 738, 320, 321,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 29 GLU HN 22 LEU MDY 5.60 (# 1463:23 Unique 3.79, 5.14 A)
&rst
ixpk= 1463, nxpk= 23, iat= 446, -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 22 LEU HN 22 LEU MDY 4.50 (# 1464:23 Unique 4.50, 5.19 A)
&rst
ixpk= 1464, nxpk= 23, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 32 PHE HN 22 LEU MDY 5.50 (# 1465:23 Unique 4.07, 5.29 A)
&rst
ixpk= 1465, nxpk= 23, iat= 495, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 28 THR HN 22 LEU MDY 5.60 (# 1466:23 Unique 3.32, 5.07 A)
&rst
ixpk= 1466, nxpk= 23, iat= 432, -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 27 SER HN 22 LEU MDY 5.60 (# 1467:23 Unique 2.08, 4.70 A)
&rst
ixpk= 1467, nxpk= 23, iat= 421, -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 14 VAL HN 14 VAL MGX 4.50 (# 1468:23 Unique 1.97, 3.67 A)
&rst
ixpk= 1468, nxpk= 23, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 23 ARG HN 22 LEU MDY 5.60 (# 1469:23 Unique 4.19, 4.94 A)
&rst
ixpk= 1469, nxpk= 23, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 32 PHE HD 22 LEU MDY 4.50 (# 1470:23 Unique 2.37, 5.35 A)
&rst
ixpk= 1470, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 503, 511,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 28 THR HA 22 LEU MDY 4.50 (# 1472:23 Unique 2.51, 4.11 A)
&rst
ixpk= 1472, nxpk= 23, iat= 434, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 14 VAL HA 14 VAL MGX 4.50 (# 1474:23 Unique 2.30, 3.11 A)
&rst
ixpk= 1474, nxpk= 23, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 29 GLU HA 22 LEU MDY 4.50 (# 1475:23 Unique 2.84, 4.46 A)
&rst
ixpk= 1475, nxpk= 23, iat= 448, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 22 LEU HA 22 LEU MDY 4.50 (# 1476:23 Unique 2.22, 3.87 A)
&rst
ixpk= 1476, nxpk= 23, iat= 331, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 32 PHE HB+ 22 LEU MDY 4.50 (# 1477:23 Unique 2.65, 4.48 A)
&rst
ixpk= 1477, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 499, 500,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 31 GLN HB+ 22 LEU MDY 5.50 (# 1478:23 Unique 4.33, 6.50 A)
&rst
ixpk= 1478, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 482, 483,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 22 LEU HG 22 LEU MDY 4.50 (# 1479:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1479, nxpk= 23, iat= 336, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 23-2:1480 14 VAL MGX 3.50 (# 1480:23 Single Ambig)
&rst
ixpk= 1480, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 216,1285,1286, 201, 202,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 0 AMB 23-2:1481 22 LEU MDY 4.50 (# 1481:23 Single Ambig)
&rst
ixpk= 1481, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 352, 353, 352, 353,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 91 ARG HG+ 14 VAL MGX 4.50 (# 1482:23 Unique 2.13, 4.95 A)
&rst
ixpk= 1482, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1357,1358,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 22 LEU HB- 22 LEU MDY 4.50 (# 1483:23 Unique 2.23, 3.30 A)
&rst
ixpk= 1483, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 333, 334,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 17 ALA MB 14 VAL MGX 4.50 (# 1484:23 Unique 4.32, 6.79 A)
&rst
ixpk= 1484, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 259, 260, 261,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 91 ARG HG- 14 VAL MGX 4.50 (# 1485:23 Unique 2.13, 4.95 A)
&rst
ixpk= 1485, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1357,1358,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 0 AMB 23-2:1489 25 THR MG2 5.50 (# 1489:23 Single Ambig)
&rst
ixpk= 1489, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 793, 372,
igr2= 399, 400, 401,
&end
#
# 25 THR HN 25 THR MG2 4.50 (# 1490:23 Unique 2.88, 3.84 A)
&rst
ixpk= 1490, nxpk= 23, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 399, 400, 401,
&end
#
# 0 AMB 23-2:1492 25 THR MG2 4.50 (# 1492:23 Single Ambig)
&rst
ixpk= 1492, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 397, 795,
igr2= 399, 400, 401,
&end
#
# 25 THR HA 25 THR MG2 4.50 (# 1493:23 Unique 2.04, 2.85 A)
&rst
ixpk= 1493, nxpk= 23, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 399, 400, 401,
&end
#
# 0 AMB 23-2:1494 96 VAL MGX 3.50 (# 1494:23 Single Ambig)
&rst
ixpk= 1494, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1458, 463,1376,
igr2=1462,1463,1464,1466,1467,1468,
&end
#
# 47 ILE HA 25 THR MG2 4.50 (# 1495:23 Unique 3.04, 3.99 A)
&rst
ixpk= 1495, nxpk= 23, iat= 725, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 399, 400, 401,
&end
#
# 24 TYR HB- 25 THR MG2 5.50 (# 1496:23 Unique 3.28, 5.52 A)
&rst
ixpk= 1496, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 376, 377,
igr2= 399, 400, 401,
&end
#
# 0 AMB 23-2:1497 96 VAL MGX 3.50 (# 1497:23 Single Ambig)
&rst
ixpk= 1497, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1460, 465, 466,
igr2=1462,1463,1464,1466,1467,1468,
&end
#
# 50 LEU HB+ 25 THR MG2 4.50 (# 1498:23 Unique 2.00, 3.11 A)
&rst
ixpk= 1498, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 778, 779,
igr2= 399, 400, 401,
&end
#
# 29 GLU HB- 96 VAL MGX 4.50 (# 1499:23 Unique 1.99, 3.70 A)
&rst
ixpk= 1499, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 450, 451,
igr2=1462,1463,1464,1466,1467,1468,
&end
#
# 51 LEU HG 25 THR MG2 4.50 (# 1500:23 Unique 2.77, 3.02 A)
&rst
ixpk= 1500, nxpk= 23, iat= 800, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 399, 400, 401,
&end
#
# 51 LEU HB- 25 THR MG2 4.50 (# 1501:23 Unique 4.86, 5.31 A)
&rst
ixpk= 1501, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 797, 798,
igr2= 399, 400, 401,
&end
#
# 0 AMB 23-2:1502 96 VAL MGX 4.50 (# 1502:23 Single Ambig)
&rst
ixpk= 1502, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 522,1381,
igr2=1462,1463,1464,1466,1467,1468,
&end
#
# 33 LEU HB- 96 VAL MGX 4.50 (# 1503:23 Unique 2.03, 3.96 A)
&rst
ixpk= 1503, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 519, 520,
igr2=1462,1463,1464,1466,1467,1468,
&end
#
# 47 ILE MG2 25 THR MG2 4.50 (# 1504:23 Unique 4.42, 5.97 A)
&rst
ixpk= 1504, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 729, 730, 731,
igr2= 399, 400, 401,
&end
#
# 51 LEU MDY 25 THR MG2 4.50 (# 1505:23 Unique 2.03, 4.26 A)
&rst
ixpk= 1505, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 802, 803, 804, 806, 807, 808,
igr2= 399, 400, 401,
&end
#
# 21 ILE MG2 25 THR MG2 4.50 (# 1506:23 Unique 4.06, 5.69 A)
&rst
ixpk= 1506, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 316, 317, 318,
igr2= 399, 400, 401,
&end
#
# 44 ARG HN 43 VAL MGY 5.50 (# 1508:23 Unique 1.97, 3.84 A)
&rst
ixpk= 1508, nxpk= 23, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 0 AMB 23-2:1509 43 VAL MGY 3.50 (# 1509:23 Single Ambig)
&rst
ixpk= 1509, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 654, 723,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 56 SER HN 55 THR MG2 4.50 (# 1510:23 Unique 2.03, 4.07 A)
&rst
ixpk= 1510, nxpk= 23, iat= 876, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 868, 869, 870,
&end
#
# 0 AMB 23-2:1511 0 AMB 23-1:1511 5.50 (# 1511:23 Double Ambig)
&rst
ixpk= 1511, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 862,1501,
igr2= 868, 869, 870,1507,1508,1509,
&end
#
# 0 AMB 23-2:1515 43 VAL MGY 4.50 (# 1515:23 Single Ambig)
&rst
ixpk= 1515, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 656, 672,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 0 AMB 23-2:1516 0 AMB 23-1:1516 4.50 (# 1516:23 Double Ambig)
&rst
ixpk= 1516, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 880, 881,1494,1495,
igr2= 868, 869, 870,1507,1508,1509,
&end
#
# 31 GLN HB+ 50 LEU MDY 4.50 (# 1517:23 Unique 3.38, 5.45 A)
&rst
ixpk= 1517, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 482, 483,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 43 VAL HB 43 VAL MGY 4.50 (# 1518:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1518, nxpk= 23, iat= 658, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 54 GLN HB- 55 THR MG2 4.50 (# 1519:23 Unique 2.25, 5.41 A)
&rst
ixpk= 1519, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 849, 850,
igr2= 868, 869, 870,
&end
#
# 21 ILE HB 43 VAL MGY 4.50 (# 1521:23 Unique 3.63, 5.55 A)
&rst
ixpk= 1521, nxpk= 23, iat= 314, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 44 ARG HG+ 43 VAL MGY 5.60 (# 1523:23 Unique 3.70, 6.34 A)
&rst
ixpk= 1523, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.47, r4= 9.22,
igr1= 677, 678,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 46 ALA MB 43 VAL MGY 5.50 (# 1524:23 Unique 3.15, 5.99 A)
&rst
ixpk= 1524, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 717, 718, 719,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 43 VAL MGX 43 VAL MGY 4.50 (# 1525:23 Unique 0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
# 0 AMB 23-2:1526 43 VAL MGY 4.50 (# 1526:23 Single Ambig)
&rst
ixpk= 1526, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 736, 737, 738, 320, 321,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 29 GLU HN 28 THR MG2 5.50 (# 1527:23 Unique 2.01, 3.66 A)
&rst
ixpk= 1527, nxpk= 23, iat= 446, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 438, 439, 440,
&end
#
# 30 GLN HN 28 THR MG2 5.60 (# 1528:23 Unique 1.95, 4.94 A)
&rst
ixpk= 1528, nxpk= 23, iat= 461, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 438, 439, 440,
&end
#
# 32 PHE HD 50 LEU MDY 4.50 (# 1529:23 Unique 3.38, 6.94 A)
&rst
ixpk= 1529, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 503, 511,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 45 ILE HN 43 VAL MGY 5.50 (# 1530:23 Unique 4.71, 6.00 A)
&rst
ixpk= 1530, nxpk= 23, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 27 SER HA 28 THR MG2 5.50 (# 1532:23 Unique 3.28, 5.24 A)
&rst
ixpk= 1532, nxpk= 23, iat= 423, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 438, 439, 440,
&end
#
# 28 THR HA 28 THR MG2 4.50 (# 1535:23 Unique 2.01, 3.01 A)
&rst
ixpk= 1535, nxpk= 23, iat= 434, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 438, 439, 440,
&end
#
# 0 AMB 23-2:1536 0 AMB 23-1:1536 3.50 (# 1536:23 Double Ambig)
&rst
ixpk= 1536, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1503,1505, 866,
igr2=1507,1508,1509, 868, 869, 870,
&end
#
# 0 AMB 23-2:1537 50 LEU MDY 3.50 (# 1537:23 Single Ambig)
&rst
ixpk= 1537, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 776, 480,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 14 VAL HA 14 VAL MGY 4.50 (# 1538:23 Unique 2.30, 3.11 A)
&rst
ixpk= 1538, nxpk= 23, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 88 ILE HA 14 VAL MGY 4.50 (# 1540:23 Unique 2.31, 4.20 A)
&rst
ixpk= 1540, nxpk= 23, iat=1300, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 0 AMB 23-2:1541 14 VAL MGY 3.50 (# 1541:23 Single Ambig)
&rst
ixpk= 1541, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 216,1285,1286, 201, 202,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 47 ILE HG1+ 43 VAL MGY 5.50 (# 1542:23 Unique 3.37, 5.74 A)
&rst
ixpk= 1542, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 733, 734,
igr2= 660, 661, 662, 664, 665, 666,
&end
#
# 91 ARG HB+ 14 VAL MGY 4.50 (# 1543:23 Unique 2.34, 4.72 A)
&rst
ixpk= 1543, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1354,1355,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 0 AMB 23-2:1544 50 LEU MDY 3.50 (# 1544:23 Single Ambig)
&rst
ixpk= 1544, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 781, 482, 483,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 35 ALA MB 50 LEU MDY 4.50 (# 1546:23 Unique 2.00, 4.90 A)
&rst
ixpk= 1546, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 553, 554, 555,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 50 LEU MDX 50 LEU MDY 3.50 (# 1547:23 Unique 0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
# 77 LYS HN 76 VAL MGX 3.50 (# 1549:23 Unique 1.94, 3.77 A)
&rst
ixpk= 1549, nxpk= 23, iat=1132, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 0 AMB 23-2:1550 76 VAL MGX 4.50 (# 1550:23 Single Ambig)
&rst
ixpk= 1550, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1118,1156,1157,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 2 VAL HB 2 VAL MGX 3.50 (# 1552:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1552, nxpk= 23, iat= 19, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 21, 22, 23, 25, 26, 27,
&end
#
# 76 VAL HB 76 VAL MGX 4.50 (# 1553:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1553, nxpk= 23, iat=1120, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 9 VAL HB 9 VAL MGY 3.50 (# 1556:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1556, nxpk= 23, iat= 130, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 132, 133, 134, 136, 137, 138,
&end
#
# 9 VAL HN 9 VAL MGX 5.50 (# 1558:23 Unique 1.97, 3.66 A)
&rst
ixpk= 1558, nxpk= 23, iat= 126, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 132, 133, 134, 136, 137, 138,
&end
#
# 77 LYS HN 0 AMB 23-1:1559 3.50 (# 1559:23 Single Ambig)
&rst
ixpk= 1559, nxpk= 23, iat=1132, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
1127,1128,
&end
#
# 76 VAL HB 76 VAL MGY 4.50 (# 1560:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1560, nxpk= 23, iat=1120, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 77 LYS HN 76 VAL MGY 3.50 (# 1561:23 Unique 1.94, 3.77 A)
&rst
ixpk= 1561, nxpk= 23, iat=1132, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 76 VAL HN 76 VAL MGY 5.50 (# 1562:23 Unique 1.94, 3.72 A)
&rst
ixpk= 1562, nxpk= 23, iat=1116, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 0 AMB 23-2:1563 76 VAL MGY 4.50 (# 1563:23 Single Ambig)
&rst
ixpk= 1563, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1118,1156,1157,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 9 VAL HB 9 VAL MGX 4.50 (# 1564:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1564, nxpk= 23, iat= 130, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 132, 133, 134, 136, 137, 138,
&end
#
# 101 ALA HN 101 ALA MB 5.50 (# 1565:23 Unique 2.13, 3.35 A)
&rst
ixpk= 1565, nxpk= 23, iat=1515, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1519,1520,1521,
&end
#
# 101 ALA HA 101 ALA MB 4.50 (# 1566:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1566, nxpk= 23, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1519,1520,1521,
&end
#
# 0 AMB 23-2:1585 46 ALA MB 4.50 (# 1585:23 Single Ambig)
&rst
ixpk= 1585, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 723, 559,
igr2= 717, 718, 719,
&end
#
# 36 MET HN 35 ALA MB 4.50 (# 1586:23 Unique 2.38, 3.24 A)
&rst
ixpk= 1586, nxpk= 23, iat= 559, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 553, 554, 555,
&end
#
# 46 ALA HN 46 ALA MB 4.50 (# 1587:23 Unique 2.08, 2.88 A)
&rst
ixpk= 1587, nxpk= 23, iat= 713, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 717, 718, 719,
&end
#
# 35 ALA HN 35 ALA MB 4.50 (# 1588:23 Unique 2.11, 2.88 A)
&rst
ixpk= 1588, nxpk= 23, iat= 549, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 553, 554, 555,
&end
#
# 17 ALA HN 17 ALA MB 4.50 (# 1589:23 Unique 2.15, 2.88 A)
&rst
ixpk= 1589, nxpk= 23, iat= 255, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 259, 260, 261,
&end
#
# 32 PHE HD 35 ALA MB 4.50 (# 1590:23 Unique 3.55, 5.43 A)
&rst
ixpk= 1590, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 503, 511,
igr2= 553, 554, 555,
&end
#
# 32 PHE HE 46 ALA MB 4.50 (# 1591:23 Unique 3.67, 5.81 A)
&rst
ixpk= 1591, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 505, 509,
igr2= 717, 718, 719,
&end
#
# 17 ALA HA 17 ALA MB 2.80 (# 1594:23 Unique 2.27, 2.63 A)
&rst
ixpk= 1594, nxpk= 23, iat= 257, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 259, 260, 261,
&end
#
# 35 ALA HA 35 ALA MB 4.50 (# 1595:23 Unique 2.23, 2.63 A)
&rst
ixpk= 1595, nxpk= 23, iat= 551, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 553, 554, 555,
&end
#
# 0 AMB 23-2:1596 35 ALA MB 4.50 (# 1596:23 Single Ambig)
&rst
ixpk= 1596, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 595, 596, 595, 596,
igr2= 553, 554, 555,
&end
#
# 36 MET HA 46 ALA MB 4.50 (# 1597:23 Unique 2.95, 3.99 A)
&rst
ixpk= 1597, nxpk= 23, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 717, 718, 719,
&end
#
# 46 ALA HA 35 ALA MB 4.50 (# 1598:23 Unique 3.35, 4.56 A)
&rst
ixpk= 1598, nxpk= 23, iat= 715, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 553, 554, 555,
&end
#
# 46 ALA HA 46 ALA MB 3.50 (# 1599:23 Unique 2.22, 2.63 A)
&rst
ixpk= 1599, nxpk= 23, iat= 715, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 717, 718, 719,
&end
#
# 0 AMB 23-2:1600 46 ALA MB 4.50 (# 1600:23 Single Ambig)
&rst
ixpk= 1600, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 566, 567, 698, 778, 779,
igr2= 717, 718, 719,
&end
#
# 0 AMB 23-2:1601 35 ALA MB 4.50 (# 1601:23 Single Ambig)
&rst
ixpk= 1601, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 778, 779, 756, 757,
igr2= 553, 554, 555,
&end
#
# 0 AMB 23-2:1602 35 ALA MB 4.50 (# 1602:23 Single Ambig)
&rst
ixpk= 1602, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 781, 482, 483,
igr2= 553, 554, 555,
&end
#
# 46 ALA MB 35 ALA MB 3.50 (# 1603:23 Unique 2.54, 4.22 A)
&rst
ixpk= 1603, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 717, 718, 719,
igr2= 553, 554, 555,
&end
#
# 43 VAL MGX 46 ALA MB 4.50 (# 1604:23 Unique 3.15, 5.99 A)
&rst
ixpk= 1604, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 660, 661, 662, 664, 665, 666,
igr2= 717, 718, 719,
&end
#
# 39 THR MG2 35 ALA MB 5.50 (# 1605:23 Unique 4.25, 6.07 A)
&rst
ixpk= 1605, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 608, 609, 610,
igr2= 553, 554, 555,
&end
#
# 50 LEU MDY 35 ALA MB 4.50 (# 1606:23 Unique 2.00, 4.90 A)
&rst
ixpk= 1606, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 783, 784, 785, 787, 788, 789,
igr2= 553, 554, 555,
&end
#
# 21 ILE HG1+ 17 ALA MB 5.50 (# 1607:23 Unique 4.64, 6.16 A)
&rst
ixpk= 1607, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 320, 321,
igr2= 259, 260, 261,
&end
#
# 50 LEU MDX 35 ALA MB 4.50 (# 1608:23 Unique 2.00, 4.90 A)
&rst
ixpk= 1608, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 783, 784, 785, 787, 788, 789,
igr2= 553, 554, 555,
&end
#
# 46 ALA HN 45 ILE MG2 5.50 (# 1610:23 Unique 3.77, 4.54 A)
&rst
ixpk= 1610, nxpk= 23, iat= 713, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 700, 701, 702,
&end
#
# 46 ALA HN 48 ALA MB 4.50 (# 1611:23 Unique 4.74, 5.76 A)
&rst
ixpk= 1611, nxpk= 23, iat= 713, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 746, 747, 748,
&end
#
# 49 LYS HN 48 ALA MB 4.50 (# 1612:23 Unique 2.79, 3.47 A)
&rst
ixpk= 1612, nxpk= 23, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 746, 747, 748,
&end
#
# 49 LYS HN 45 ILE MG2 5.60 (# 1613:23 Unique 4.14, 5.10 A)
&rst
ixpk= 1613, nxpk= 23, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 700, 701, 702,
&end
#
# 48 ALA HN 48 ALA MB 4.50 (# 1614:23 Unique 2.21, 2.89 A)
&rst
ixpk= 1614, nxpk= 23, iat= 742, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 746, 747, 748,
&end
#
# 45 ILE HN 45 ILE MG2 5.50 (# 1615:23 Unique 4.42, 4.53 A)
&rst
ixpk= 1615, nxpk= 23, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 700, 701, 702,
&end
#
# 39 THR HB 45 ILE MG2 4.50 (# 1616:23 Unique 2.40, 3.59 A)
&rst
ixpk= 1616, nxpk= 23, iat= 606, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 700, 701, 702,
&end
#
# 48 ALA HA 48 ALA MB 2.80 (# 1617:23 Unique 2.29, 2.63 A)
&rst
ixpk= 1617, nxpk= 23, iat= 744, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 746, 747, 748,
&end
#
# 45 ILE HA 48 ALA MB 2.80 (# 1618:23 Unique 2.41, 3.42 A)
&rst
ixpk= 1618, nxpk= 23, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 746, 747, 748,
&end
#
# 0 AMB 23-2:1619 45 ILE MG2 4.50 (# 1619:23 Single Ambig)
&rst
ixpk= 1619, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 696, 715,
igr2= 700, 701, 702,
&end
#
# 45 ILE HB 45 ILE MG2 3.50 (# 1621:23 Unique 2.37, 2.63 A)
&rst
ixpk= 1621, nxpk= 23, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 700, 701, 702,
&end
#
# 49 LYS HD+ 45 ILE MG2 4.50 (# 1622:23 Unique 1.99, 3.26 A)
&rst
ixpk= 1622, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 762, 763,
igr2= 700, 701, 702,
&end
#
# 39 THR MG2 45 ILE MG2 3.50 (# 1623:23 Unique 2.00, 3.33 A)
&rst
ixpk= 1623, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 608, 609, 610,
igr2= 700, 701, 702,
&end
#
# 0 AMB 23-2:1625 18 ILE MG2 5.50 (# 1625:23 Single Ambig)
&rst
ixpk= 1625, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 329, 284,
igr2= 271, 272, 273,
&end
#
# 0 AMB 23-2:1626 18 ILE MG2 4.50 (# 1626:23 Single Ambig)
&rst
ixpk= 1626, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 265, 296,
igr2= 271, 272, 273,
&end
#
# 32 PHE HD 18 ILE MG2 4.50 (# 1627:23 Unique 2.75, 4.80 A)
&rst
ixpk= 1627, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 503, 511,
igr2= 271, 272, 273,
&end
#
# 18 ILE HA 18 ILE MG2 4.50 (# 1628:23 Unique 2.41, 3.13 A)
&rst
ixpk= 1628, nxpk= 23, iat= 267, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 271, 272, 273,
&end
#
# 22 LEU HN 21 ILE MG2 5.50 (# 1630:23 Unique 3.21, 4.10 A)
&rst
ixpk= 1630, nxpk= 23, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 316, 317, 318,
&end
#
# 21 ILE HN 21 ILE MG2 5.50 (# 1631:23 Unique 4.33, 4.51 A)
&rst
ixpk= 1631, nxpk= 23, iat= 310, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 316, 317, 318,
&end
#
# 0 AMB 23-2:1632 21 ILE MG2 5.60 (# 1632:23 Single Ambig)
&rst
ixpk= 1632, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
igr1= 393, 348,
igr2= 316, 317, 318,
&end
#
# 32 PHE HE 21 ILE MG2 4.50 (# 1633:23 Unique 1.99, 4.20 A)
&rst
ixpk= 1633, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 505, 509,
igr2= 316, 317, 318,
&end
#
# 21 ILE HA 21 ILE MG2 4.50 (# 1635:23 Unique 2.55, 3.19 A)
&rst
ixpk= 1635, nxpk= 23, iat= 312, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 316, 317, 318,
&end
#
# 0 AMB 23-2:1636 88 ILE MG2 4.50 (# 1636:23 Single Ambig)
&rst
ixpk= 1636, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 566, 567, 269,
igr2=1304,1305,1306,
&end
#
# 50 LEU HB+ 21 ILE MG2 5.50 (# 1637:23 Unique 5.61, 6.57 A)
&rst
ixpk= 1637, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 778, 779,
igr2= 316, 317, 318,
&end
#
# 21 ILE HB 21 ILE MG2 4.50 (# 1638:23 Unique 2.38, 2.63 A)
&rst
ixpk= 1638, nxpk= 23, iat= 314, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 316, 317, 318,
&end
#
# 25 THR MG2 21 ILE MG2 4.50 (# 1639:23 Unique 4.06, 5.69 A)
&rst
ixpk= 1639, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 399, 400, 401,
igr2= 316, 317, 318,
&end
#
# 0 AMB 23-2:1640 21 ILE MG2 3.50 (# 1640:23 Single Ambig)
&rst
ixpk= 1640, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 320, 321, 323, 324, 325,
igr2= 316, 317, 318,
&end
#
# 21 ILE MG2 21 ILE MG2 2.80 (# 1641:23 Unique 0.00, 1.18 A)
#This appears to be self-referential: ignoring
#
# 92 LEU HN 88 ILE MG2 5.50 (# 1642:23 Unique 4.38, 5.24 A)
&rst
ixpk= 1642, nxpk= 23, iat=1374, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1304,1305,1306,
&end
#
# 89 LEU HN 88 ILE MG2 4.50 (# 1643:23 Unique 3.50, 4.26 A)
&rst
ixpk= 1643, nxpk= 23, iat=1317, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1304,1305,1306,
&end
#
# 32 PHE HE 88 ILE MG2 4.50 (# 1644:23 Unique 3.59, 5.74 A)
&rst
ixpk= 1644, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 505, 509,
igr2=1304,1305,1306,
&end
#
# 89 LEU HA 88 ILE MG2 3.50 (# 1645:23 Unique 3.46, 4.55 A)
&rst
ixpk= 1645, nxpk= 23, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1304,1305,1306,
&end
#
# 88 ILE HA 88 ILE MG2 4.50 (# 1646:23 Unique 2.35, 3.10 A)
&rst
ixpk= 1646, nxpk= 23, iat=1300, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1304,1305,1306,
&end
#
# 47 ILE HN 47 ILE MD1 5.50 (# 1647:23 Unique 3.96, 4.46 A)
&rst
ixpk= 1647, nxpk= 23, iat= 723, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 736, 737, 738,
&end
#
# 18 ILE HN 18 ILE MD1 4.50 (# 1648:23 Unique 3.50, 4.19 A)
&rst
ixpk= 1648, nxpk= 23, iat= 265, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 278, 279, 280,
&end
#
# 44 ARG HA 47 ILE MD1 4.50 (# 1651:23 Unique 2.10, 3.02 A)
&rst
ixpk= 1651, nxpk= 23, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 736, 737, 738,
&end
#
# 47 ILE HA 47 ILE MD1 4.50 (# 1652:23 Unique 4.61, 5.08 A)
&rst
ixpk= 1652, nxpk= 23, iat= 725, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 736, 737, 738,
&end
#
# 21 ILE MG2 47 ILE MD1 4.50 (# 1653:23 Unique 4.43, 5.85 A)
&rst
ixpk= 1653, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 316, 317, 318,
igr2= 736, 737, 738,
&end
#
# 15 ASP HA 18 ILE MD1 5.50 (# 1655:23 Unique 2.55, 3.76 A)
&rst
ixpk= 1655, nxpk= 23, iat= 230, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 278, 279, 280,
&end
#
# 0 AMB 23-2:1656 18 ILE MD1 5.50 (# 1656:23 Single Ambig)
&rst
ixpk= 1656, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1376, 214,
igr2= 278, 279, 280,
&end
#
# 88 ILE HA 18 ILE MD1 4.50 (# 1657:23 Unique 2.31, 3.67 A)
&rst
ixpk= 1657, nxpk= 23, iat=1300, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 278, 279, 280,
&end
#
# 21 ILE HN 21 ILE MD1 5.50 (# 1658:23 Unique 3.08, 3.86 A)
&rst
ixpk= 1658, nxpk= 23, iat= 310, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 323, 324, 325,
&end
#
# 18 ILE HA 21 ILE MD1 4.50 (# 1661:23 Unique 3.00, 4.02 A)
&rst
ixpk= 1661, nxpk= 23, iat= 267, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 323, 324, 325,
&end
#
# 21 ILE HA 21 ILE MD1 4.50 (# 1662:23 Unique 4.40, 4.59 A)
&rst
ixpk= 1662, nxpk= 23, iat= 312, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 323, 324, 325,
&end
#
# 21 ILE MG2 21 ILE MD1 4.50 (# 1663:23 Unique 2.58, 4.11 A)
&rst
ixpk= 1663, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 316, 317, 318,
igr2= 323, 324, 325,
&end
#
# 21 ILE HG1+ 24 TYR HB+ 5.50 (# 1667:23 Unique 4.34, 4.97 A)
&rst
ixpk= 1667, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 320, 321,
igr2= 376, 377,
&end
#
# 14 VAL HN 14 VAL MGY 3.50 (# 1668:23 Unique 1.97, 3.67 A)
&rst
ixpk= 1668, nxpk= 23, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 218, 219, 220, 222, 223, 224,
&end
#
# 88 ILE HN 88 ILE MD1 4.50 (# 1671:23 Unique 3.18, 3.98 A)
&rst
ixpk= 1671, nxpk= 23, iat=1298, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1311,1312,1313,
&end
#
# 18 ILE HN 18 ILE MD1 4.50 (# 1672:23 Unique 3.50, 4.19 A)
&rst
ixpk= 1672, nxpk= 23, iat= 265, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 278, 279, 280,
&end
#
# 92 LEU HN 18 ILE MD1 4.50 (# 1673:23 Unique 3.90, 4.88 A)
&rst
ixpk= 1673, nxpk= 23, iat=1374, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 278, 279, 280,
&end
#
# 96 VAL HN 96 VAL HA 4.50 (# 1675:23 Unique 2.79, 2.80 A)
&rst
ixpk= 1675, nxpk= 23, iat=1456,1458, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ARG HD+ 71 ARG HA 4.50 (# 1684:23 Unique 2.09, 4.02 A)
&rst
ixpk= 1684, nxpk= 23, iat= -1,1030, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1038,1039,
&end
#
# 74 LEU HB- 74 LEU HG 3.50 (# 1691:23 Unique 2.42, 2.66 A)
&rst
ixpk= 1691, nxpk= 23, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1090,1091,
&end
#
# 0 AMB 23-2:1692 33 LEU HG 3.50 (# 1692:23 Single Ambig)
&rst
ixpk= 1692, nxpk= 23, iat= -1, 522, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 524, 525, 526, 528, 529, 530,1462,1463,1464,1466,
1467,1468,
&end
#
# 50 LEU HB- 50 LEU MDY 4.50 (# 1693:23 Unique 2.00, 3.21 A)
&rst
ixpk= 1693, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 778, 779,
igr2= 783, 784, 785, 787, 788, 789,
&end
#
# 49 LYS HE+ 45 ILE MG2 5.50 (# 1694:23 Unique 2.00, 3.20 A)
&rst
ixpk= 1694, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 765, 766,
igr2= 700, 701, 702,
&end
#
# 19 ASP HA 18 ILE MG2 5.50 (# 1695:23 Unique 3.99, 4.57 A)
&rst
ixpk= 1695, nxpk= 23, iat= 286, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 271, 272, 273,
&end
#
# 45 ILE MG2 45 ILE MD1 3.50 (# 1696:23 Unique 2.06, 3.64 A)
&rst
ixpk= 1696, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 700, 701, 702,
igr2= 707, 708, 709,
&end
#
# 45 ILE HG1- 45 ILE MD1 4.50 (# 1697:23 Unique 2.21, 2.62 A)
&rst
ixpk= 1697, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 704, 705,
igr2= 707, 708, 709,
&end
#
# 0 AMB 23-2:1698 45 ILE MD1 4.50 (# 1698:23 Single Ambig)
&rst
ixpk= 1698, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 677, 678, 762, 763,
igr2= 707, 708, 709,
&end
#
# 45 ILE HB 45 ILE MD1 4.50 (# 1699:23 Unique 2.37, 3.12 A)
&rst
ixpk= 1699, nxpk= 23, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 707, 708, 709,
&end
#
# 42 ARG HD+ 45 ILE MD1 4.50 (# 1700:23 Unique 3.18, 5.22 A)
&rst
ixpk= 1700, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 640, 641,
igr2= 707, 708, 709,
&end
#
# 0 AMB 23-2:1701 45 ILE MD1 4.50 (# 1701:23 Single Ambig)
&rst
ixpk= 1701, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 696, 618, 619,
igr2= 707, 708, 709,
&end
#
# 12 ARG HN 12 ARG HA 4.50 (# 1702:23 Unique 2.75, 2.78 A)
&rst
ixpk= 1702, nxpk= 23, iat= 173, 175, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 SER HA 97 SER HB+ 3.50 (# 1705:23 Unique 2.31, 2.77 A)
&rst
ixpk= 1705, nxpk= 23, iat=1474, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1476,1477,
&end
#
# 81 TYR HA 81 TYR HB- 4.50 (# 1707:23 Unique 2.36, 2.71 A)
&rst
ixpk= 1707, nxpk= 23, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1201,1202,
&end
#
# 25 THR MG2 51 LEU MDX 4.50 (# 1710:23 Unique 2.03, 4.26 A)
&rst
ixpk= 1710, nxpk= 23, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 399, 400, 401,
igr2= 802, 803, 804, 806, 807, 808,
&end
#
# 103 SER HA 104 ALA HN 5.50 (# 1:12 Unique 2.14, 2.91 A)
&rst
ixpk= 1, nxpk= 12, iat=1544,1553, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 TYR HN 25 THR HN 4.50 (# 6:12 Unique 2.88, 2.93 A)
&rst
ixpk= 6, nxpk= 12, iat= 372, 393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 THR HA 25 THR HN 4.50 (# 7:12 Unique 2.87, 2.88 A)
&rst
ixpk= 7, nxpk= 12, iat= 395, 393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU HA 25 THR HN 5.50 (# 8:12 Unique 4.00, 4.11 A)
&rst
ixpk= 8, nxpk= 12, iat= 331, 393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 ILE HA 25 THR HN 5.60 (# 9:12 Unique 3.92, 4.01 A)
&rst
ixpk= 9, nxpk= 12, iat= 312, 393, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 24 TYR HB+ 25 THR HN 5.50 (# 10:12 Unique 2.28, 2.97 A)
&rst
ixpk= 10, nxpk= 12, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 376, 377,
&end
#
# 24 TYR HB- 25 THR HN 4.50 (# 11:12 Unique 2.28, 2.97 A)
&rst
ixpk= 11, nxpk= 12, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 376, 377,
&end
#
# 25 THR MG2 25 THR HN 4.50 (# 12:12 Unique 2.88, 3.84 A)
&rst
ixpk= 12, nxpk= 12, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 399, 400, 401,
&end
#
# 44 ARG HN 43 VAL HN 4.50 (# 15:12 Unique 2.64, 2.64 A)
&rst
ixpk= 15, nxpk= 12, iat= 670, 654, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ARG HA 43 VAL HN 3.50 (# 16:12 Unique 2.14, 2.16 A)
&rst
ixpk= 16, nxpk= 12, iat= 632, 654, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 12-2:17 43 VAL HN 4.50 (# 17:12 Single Ambig)
&rst
ixpk= 17, nxpk= 12, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1257,1258,1255,
&end
#
# 43 VAL HA 43 VAL HN 4.50 (# 18:12 Unique 2.81, 2.81 A)
&rst
ixpk= 18, nxpk= 12, iat= 656, 654, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 VAL HB 43 VAL HN 4.50 (# 19:12 Unique 2.44, 2.48 A)
&rst
ixpk= 19, nxpk= 12, iat= 658, 654, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 VAL MGX 43 VAL HN 4.50 (# 21:12 Unique 2.10, 3.80 A)
&rst
ixpk= 21, nxpk= 12, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 43 VAL MGY 43 VAL HN 4.50 (# 22:12 Unique 2.10, 3.80 A)
&rst
ixpk= 22, nxpk= 12, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 0 AMB 12-2:25 101 ALA HN 4.50 (# 25:12 Single Ambig)
&rst
ixpk= 25, nxpk= 12, iat= -1,1515, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1503,1517,
&end
#
# 101 ALA MB 101 ALA HN 4.50 (# 26:12 Unique 2.13, 3.35 A)
&rst
ixpk= 26, nxpk= 12, iat= -1,1515, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1519,1520,1521,
&end
#
# 100 THR MG2 101 ALA HN 4.50 (# 27:12 Unique 1.95, 4.38 A)
&rst
ixpk= 27, nxpk= 12, iat= -1,1515, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1507,1508,1509,
&end
#
# 44 ARG HN 46 ALA HN 5.60 (# 30:12 Unique 4.01, 4.09 A)
&rst
ixpk= 30, nxpk= 12, iat= 670, 713, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 12-2:31 46 ALA HN 4.50 (# 31:12 Single Ambig)
&rst
ixpk= 31, nxpk= 12, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 723, 654,
&end
#
# 48 ALA HN 46 ALA HN 5.60 (# 32:12 Unique 3.86, 3.87 A)
&rst
ixpk= 32, nxpk= 12, iat= 742, 713, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 45 ILE HN 46 ALA HN 3.50 (# 33:12 Unique 2.57, 2.61 A)
&rst
ixpk= 33, nxpk= 12, iat= 694, 713, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 THR HB 46 ALA HN 5.60 (# 34:12 Unique 3.70, 3.99 A)
&rst
ixpk= 34, nxpk= 12, iat= 606, 713, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 12-2:35 46 ALA HN 3.50 (# 35:12 Single Ambig)
&rst
ixpk= 35, nxpk= 12, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 715, 696,
&end
#
# 0 AMB 12-2:36 46 ALA HN 4.50 (# 36:12 Single Ambig)
&rst
ixpk= 36, nxpk= 12, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 698, 634, 635,
&end
#
# 42 ARG HB- 46 ALA HN 4.50 (# 37:12 Unique 4.33, 4.50 A)
&rst
ixpk= 37, nxpk= 12, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 634, 635,
&end
#
# 44 ARG HG+ 46 ALA HN 4.50 (# 38:12 Unique 4.49, 4.69 A)
&rst
ixpk= 38, nxpk= 12, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 677, 678,
&end
#
# 46 ALA MB 46 ALA HN 3.50 (# 39:12 Unique 2.08, 2.88 A)
&rst
ixpk= 39, nxpk= 12, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 717, 718, 719,
&end
#
# 39 THR MG2 46 ALA HN 4.50 (# 40:12 Unique 2.76, 4.01 A)
&rst
ixpk= 40, nxpk= 12, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 608, 609, 610,
&end
#
# 45 ILE MG2 46 ALA HN 4.50 (# 41:12 Unique 3.77, 4.54 A)
&rst
ixpk= 41, nxpk= 12, iat= -1, 713, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 700, 701, 702,
&end
#
# 3 SER HA 4 ILE HN 4.50 (# 44:12 Unique 2.15, 2.50 A)
&rst
ixpk= 44, nxpk= 12, iat= 33, 42, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASN HN 22 LEU HN 4.50 (# 45:12 Unique 3.88, 4.11 A)
&rst
ixpk= 45, nxpk= 12, iat= 296, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 ILE HN 22 LEU HN 4.50 (# 46:12 Unique 2.52, 2.66 A)
&rst
ixpk= 46, nxpk= 12, iat= 310, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ARG HN 22 LEU HN 4.50 (# 47:12 Unique 2.71, 2.85 A)
&rst
ixpk= 47, nxpk= 12, iat= 348, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 ASP HA 22 LEU HN 4.50 (# 49:12 Unique 3.49, 3.68 A)
&rst
ixpk= 49, nxpk= 12, iat= 286, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU HA 22 LEU HN 4.50 (# 50:12 Unique 2.77, 2.78 A)
&rst
ixpk= 50, nxpk= 12, iat= 331, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU HG 22 LEU HN 4.50 (# 51:12 Unique 4.27, 4.32 A)
&rst
ixpk= 51, nxpk= 12, iat= 336, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 SER HA 63 LYS HN 4.50 (# 53:12 Unique 2.14, 2.39 A)
&rst
ixpk= 53, nxpk= 12, iat= 928, 937, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 ILE HA 22 LEU HN 5.50 (# 54:12 Unique 3.51, 3.55 A)
&rst
ixpk= 54, nxpk= 12, iat= 312, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 ILE HB 22 LEU HN 4.50 (# 55:12 Unique 2.48, 2.56 A)
&rst
ixpk= 55, nxpk= 12, iat= 314, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 ILE MG2 22 LEU HN 5.50 (# 59:12 Unique 3.21, 4.10 A)
&rst
ixpk= 59, nxpk= 12, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 316, 317, 318,
&end
#
# 76 VAL HA 77 LYS HN 4.50 (# 61:12 Unique 2.28, 2.72 A)
&rst
ixpk= 61, nxpk= 12, iat=1118,1132, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 LYS HB- 63 LYS HN 4.50 (# 62:12 Unique 2.23, 3.28 A)
&rst
ixpk= 62, nxpk= 12, iat= -1, 937, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 941, 942,
&end
#
# 77 LYS HA 77 LYS HN 3.50 (# 63:12 Unique 2.27, 2.79 A)
&rst
ixpk= 63, nxpk= 12, iat=1134,1132, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 VAL HB 77 LYS HN 4.50 (# 64:12 Unique 1.95, 3.27 A)
&rst
ixpk= 64, nxpk= 12, iat=1120,1132, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 LYS HB+ 77 LYS HN 3.50 (# 65:12 Unique 2.32, 3.22 A)
&rst
ixpk= 65, nxpk= 12, iat= -1,1132, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1136,1137,
&end
#
# 77 LYS HG+ 77 LYS HN 2.80 (# 66:12 Unique 1.99, 2.96 A)
&rst
ixpk= 66, nxpk= 12, iat= -1,1132, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1139,1140,
&end
#
# 0 AMB 12-2:67 77 LYS HN 2.80 (# 67:12 Single Ambig)
&rst
ixpk= 67, nxpk= 12, iat= -1,1132, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
1127,1128,
&end
#
# 0 AMB 12-2:68 21 ILE HN 4.50 (# 68:12 Single Ambig)
&rst
ixpk= 68, nxpk= 12, iat= -1, 310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 329, 284,
&end
#
# 0 AMB 12-2:69 21 ILE HN 4.50 (# 69:12 Single Ambig)
&rst
ixpk= 69, nxpk= 12, iat= -1, 310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 296, 265,
&end
#
# 21 ILE HA 21 ILE HN 4.50 (# 71:12 Unique 2.82, 2.83 A)
&rst
ixpk= 71, nxpk= 12, iat= 312, 310, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASN HB+ 21 ILE HN 4.50 (# 72:12 Unique 2.34, 2.92 A)
&rst
ixpk= 72, nxpk= 12, iat= -1, 310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 300, 301,
&end
#
# 20 ASN HB- 21 ILE HN 4.50 (# 73:12 Unique 2.34, 2.92 A)
&rst
ixpk= 73, nxpk= 12, iat= -1, 310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 300, 301,
&end
#
# 21 ILE HB 21 ILE HN 3.50 (# 74:12 Unique 2.40, 2.43 A)
&rst
ixpk= 74, nxpk= 12, iat= 314, 310, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 12-2:76 21 ILE HN 4.50 (# 76:12 Single Ambig)
&rst
ixpk= 76, nxpk= 12, iat= -1, 310, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 320, 321, 323, 324, 325,
&end
#
# 21 ILE MG2 21 ILE HN 5.50 (# 77:12 Unique 4.33, 4.51 A)
&rst
ixpk= 77, nxpk= 12, iat= -1, 310, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 316, 317, 318,
&end
#
# 0 AMB 12-2:80 64 LEU HN 4.50 (# 80:12 Single Ambig)
&rst
ixpk= 80, nxpk= 12, iat= -1, 959, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 939, 961,
&end
#
# 0 AMB 12-2:81 64 LEU HN 4.50 (# 81:12 Single Ambig)
&rst
ixpk= 81, nxpk= 12, iat= -1, 959, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 966, 963, 964,
&end
#
# 0 AMB 12-2:82 74 LEU HN 4.50 (# 82:12 Single Ambig)
&rst
ixpk= 82, nxpk= 12, iat= -1,1086, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1074,1105,
&end
#
# 73 ASP HA 74 LEU HN 4.50 (# 84:12 Unique 2.14, 2.42 A)
&rst
ixpk= 84, nxpk= 12, iat=1076,1086, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 LEU HA 74 LEU HN 4.50 (# 85:12 Unique 2.76, 2.91 A)
&rst
ixpk= 85, nxpk= 12, iat=1088,1086, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:86 74 LEU HN 5.50 (# 86:12 Single Ambig)
&rst
ixpk= 86, nxpk= 12, iat= -1,1086, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1078,1079,1078,1079,
&end
#
# 74 LEU HB+ 74 LEU HN 3.50 (# 87:12 Unique 2.05, 2.86 A)
&rst
ixpk= 87, nxpk= 12, iat= -1,1086, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1090,1091,
&end
#
# 74 LEU HB- 74 LEU HN 3.50 (# 88:12 Unique 2.05, 2.86 A)
&rst
ixpk= 88, nxpk= 12, iat= -1,1086, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1090,1091,
&end
#
# 0 AMB 12-2:89 74 LEU HN 4.50 (# 89:12 Single Ambig)
&rst
ixpk= 89, nxpk= 12, iat= -1,1086, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1095,1096,1097,1099,1100,1101,1095,1096,1097,1099,
1100,1101,
&end
#
# 71 ARG HA 72 LYS HN 3.50 (# 91:12 Unique 2.21, 2.79 A)
&rst
ixpk= 91, nxpk= 12, iat=1030,1052, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 12-2:92 72 LYS HN 4.50 (# 92:12 Single Ambig)
&rst
ixpk= 92, nxpk= 12, iat= -1,1052, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1032,1033,1056,1057,
&end
#
# 18 ILE HN 17 ALA HN 4.50 (# 93:12 Unique 2.87, 2.89 A)
&rst
ixpk= 93, nxpk= 12, iat= 265, 255, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HN 17 ALA HN 4.50 (# 94:12 Unique 2.86, 2.89 A)
&rst
ixpk= 94, nxpk= 12, iat= 240, 255, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 ALA HA 17 ALA HN 3.50 (# 96:12 Unique 2.75, 2.75 A)
&rst
ixpk= 96, nxpk= 12, iat= 257, 255, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 VAL HA 10 ASN HN 4.50 (# 97:12 Unique 2.14, 2.78 A)
&rst
ixpk= 97, nxpk= 12, iat= 128, 142, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 VAL HA 17 ALA HN 4.50 (# 98:12 Unique 3.85, 3.88 A)
&rst
ixpk= 98, nxpk= 12, iat= 214, 255, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:99 10 ASN HN 4.50 (# 99:12 Single Ambig)
&rst
ixpk= 99, nxpk= 12, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 146, 147, 146, 147,
&end
#
# 16 GLU HB+ 17 ALA HN 3.50 (# 100:12 Unique 2.09, 2.83 A)
&rst
ixpk= 100, nxpk= 12, iat= -1, 255, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 244, 245,
&end
#
# 17 ALA MB 17 ALA HN 3.50 (# 101:12 Unique 2.15, 2.88 A)
&rst
ixpk= 101, nxpk= 12, iat= -1, 255, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 259, 260, 261,
&end
#
# 9 VAL MGY 10 ASN HN 4.50 (# 102:12 Unique 2.15, 4.37 A)
&rst
ixpk= 102, nxpk= 12, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 132, 133, 134, 136, 137, 138,
&end
#
# 24 TYR HN 26 ASN HN 5.50 (# 103:12 Unique 3.69, 3.72 A)
&rst
ixpk= 103, nxpk= 12, iat= 372, 407, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 SER HN 26 ASN HN 2.80 (# 104:12 Unique 2.80, 2.81 A)
&rst
ixpk= 104, nxpk= 12, iat= 421, 407, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 ASN HA 26 ASN HN 3.50 (# 105:12 Unique 2.27, 2.27 A)
&rst
ixpk= 105, nxpk= 12, iat= 409, 407, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 ARG HA 26 ASN HN 4.50 (# 106:12 Unique 3.14, 3.20 A)
&rst
ixpk= 106, nxpk= 12, iat= 350, 407, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 THR HA 26 ASN HN 5.60 (# 107:12 Unique 3.25, 3.31 A)
&rst
ixpk= 107, nxpk= 12, iat= 395, 407, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 22 LEU HA 26 ASN HN 5.60 (# 108:12 Unique 4.68, 4.92 A)
&rst
ixpk= 108, nxpk= 12, iat= 331, 407, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 26 ASN HB+ 26 ASN HN 4.50 (# 109:12 Unique 3.08, 3.53 A)
&rst
ixpk= 109, nxpk= 12, iat= -1, 407, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 411, 412,
&end
#
# 26 ASN HB- 26 ASN HN 4.50 (# 110:12 Unique 3.08, 3.53 A)
&rst
ixpk= 110, nxpk= 12, iat= -1, 407, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 411, 412,
&end
#
# 36 MET HN 35 ALA HN 4.50 (# 113:12 Unique 2.83, 2.84 A)
&rst
ixpk= 113, nxpk= 12, iat= 559, 549, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 GLU HN 33 LEU HN 4.50 (# 114:12 Unique 2.86, 2.88 A)
&rst
ixpk= 114, nxpk= 12, iat= 534, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 GLU HN 35 ALA HN 4.50 (# 115:12 Unique 2.52, 2.52 A)
&rst
ixpk= 115, nxpk= 12, iat= 534, 549, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ARG HN 92 LEU HN 4.50 (# 116:12 Unique 2.56, 2.59 A)
&rst
ixpk= 116, nxpk= 12, iat=1393,1374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 ARG HN 92 LEU HN 4.50 (# 117:12 Unique 2.66, 2.67 A)
&rst
ixpk= 117, nxpk= 12, iat=1350,1374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 PHE HD 33 LEU HN 5.60 (# 118:12 Unique 4.44, 4.94 A)
&rst
ixpk= 118, nxpk= 12, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr1= 503, 511,
&end
#
# 91 ARG HA 92 LEU HN 5.50 (# 120:12 Unique 3.50, 3.50 A)
&rst
ixpk= 120, nxpk= 12, iat=1352,1374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 GLU HA 35 ALA HN 3.50 (# 123:12 Unique 3.51, 3.52 A)
&rst
ixpk= 123, nxpk= 12, iat= 536, 549, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 LEU HA 92 LEU HN 4.50 (# 124:12 Unique 2.83, 2.83 A)
&rst
ixpk= 124, nxpk= 12, iat=1376,1374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 LEU HA 33 LEU HN 4.50 (# 125:12 Unique 2.76, 2.76 A)
&rst
ixpk= 125, nxpk= 12, iat= 517, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 88 ILE HA 92 LEU HN 5.60 (# 126:12 Unique 3.96, 4.00 A)
&rst
ixpk= 126, nxpk= 12, iat=1300,1374, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 34 GLU HB+ 35 ALA HN 3.50 (# 129:12 Unique 3.07, 3.13 A)
&rst
ixpk= 129, nxpk= 12, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 538, 539,
&end
#
# 0 AMB 12-2:130 92 LEU HN 3.50 (# 130:12 Single Ambig)
&rst
ixpk= 130, nxpk= 12, iat= -1,1374, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1378,1379,1357,1358,
&end
#
# 35 ALA MB 35 ALA HN 3.50 (# 131:12 Unique 2.11, 2.88 A)
&rst
ixpk= 131, nxpk= 12, iat= -1, 549, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 553, 554, 555,
&end
#
# 33 LEU HB- 33 LEU HN 3.50 (# 133:12 Unique 2.14, 2.55 A)
&rst
ixpk= 133, nxpk= 12, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 519, 520,
&end
#
# 18 ILE MD1 92 LEU HN 5.50 (# 135:12 Unique 3.90, 4.88 A)
&rst
ixpk= 135, nxpk= 12, iat= -1,1374, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 278, 279, 280,
&end
#
# 96 VAL MGY 33 LEU HN 4.50 (# 136:12 Unique 3.20, 4.54 A)
&rst
ixpk= 136, nxpk= 12, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1462,1463,1464,1466,1467,1468,
&end
#
# 92 LEU MDX 33 LEU HN 4.50 (# 138:12 Unique 3.11, 4.46 A)
&rst
ixpk= 138, nxpk= 12, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1383,1384,1385,1387,1388,1389,
&end
#
# 32 PHE HB+ 33 LEU HN 4.50 (# 140:12 Unique 2.51, 2.99 A)
&rst
ixpk= 140, nxpk= 12, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 499, 500,
&end
#
# 33 LEU HB+ 33 LEU HN 3.50 (# 141:12 Unique 2.14, 2.55 A)
&rst
ixpk= 141, nxpk= 12, iat= -1, 515, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 519, 520,
&end
#
# 31 GLN HN 32 PHE HN 4.50 (# 142:12 Unique 2.77, 2.80 A)
&rst
ixpk= 142, nxpk= 12, iat= 478, 495, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 PHE HD 32 PHE HN 5.50 (# 143:12 Unique 3.87, 4.56 A)
&rst
ixpk= 143, nxpk= 12, iat= -1, 495, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 503, 511,
&end
#
# 31 GLN HA 32 PHE HN 5.50 (# 145:12 Unique 3.54, 3.55 A)
&rst
ixpk= 145, nxpk= 12, iat= 480, 495, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 GLU HA 32 PHE HN 4.50 (# 146:12 Unique 3.65, 3.70 A)
&rst
ixpk= 146, nxpk= 12, iat= 448, 495, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 PHE HB+ 32 PHE HN 3.50 (# 147:12 Unique 2.16, 2.58 A)
&rst
ixpk= 147, nxpk= 12, iat= -1, 495, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 499, 500,
&end
#
# 31 GLN HB+ 32 PHE HN 4.50 (# 148:12 Unique 2.38, 3.07 A)
&rst
ixpk= 148, nxpk= 12, iat= -1, 495, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 482, 483,
&end
#
# 31 GLN HB- 32 PHE HN 4.50 (# 149:12 Unique 2.38, 3.07 A)
&rst
ixpk= 149, nxpk= 12, iat= -1, 495, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 482, 483,
&end
#
# 84 ASP HA 84 ASP HN 3.50 (# 154:12 Unique 2.81, 2.90 A)
&rst
ixpk= 154, nxpk= 12, iat=1243,1241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 SER HA 9 VAL HN 4.50 (# 157:12 Unique 2.14, 2.79 A)
&rst
ixpk= 157, nxpk= 12, iat= 117, 126, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 SER HA 84 ASP HN 4.50 (# 159:12 Unique 2.15, 2.64 A)
&rst
ixpk= 159, nxpk= 12, iat=1232,1241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 ASP HB+ 84 ASP HN 2.80 (# 160:12 Unique 2.21, 2.89 A)
&rst
ixpk= 160, nxpk= 12, iat= -1,1241, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1245,1246,
&end
#
# 84 ASP HB- 84 ASP HN 3.50 (# 161:12 Unique 2.21, 2.89 A)
&rst
ixpk= 161, nxpk= 12, iat= -1,1241, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1245,1246,
&end
#
# 9 VAL MGX 9 VAL HN 4.50 (# 162:12 Unique 1.97, 3.66 A)
&rst
ixpk= 162, nxpk= 12, iat= -1, 126, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 132, 133, 134, 136, 137, 138,
&end
#
# 0 AMB 12-2:164 86 GLN HN 4.50 (# 164:12 Single Ambig)
&rst
ixpk= 164, nxpk= 12, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1253,1281,
&end
#
# 75 SER HA 76 VAL HN 4.50 (# 169:12 Unique 2.14, 2.46 A)
&rst
ixpk= 169, nxpk= 12, iat=1107,1116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:170 86 GLN HN 4.50 (# 170:12 Single Ambig)
&rst
ixpk= 170, nxpk= 12, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1257,1258,1266,1255,
&end
#
# 76 VAL HA 76 VAL HN 4.50 (# 171:12 Unique 2.77, 2.90 A)
&rst
ixpk= 171, nxpk= 12, iat=1118,1116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 86 GLN HG+ 86 GLN HN 5.50 (# 173:12 Unique 1.95, 2.62 A)
&rst
ixpk= 173, nxpk= 12, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 86 GLN HB+ 86 GLN HN 4.50 (# 174:12 Unique 2.34, 3.09 A)
&rst
ixpk= 174, nxpk= 12, iat= -1,1264, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1268,1269,
&end
#
# 76 VAL HB 76 VAL HN 4.50 (# 175:12 Unique 2.46, 3.29 A)
&rst
ixpk= 175, nxpk= 12, iat=1120,1116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:177 76 VAL HN 4.50 (# 177:12 Single Ambig)
&rst
ixpk= 177, nxpk= 12, iat= -1,1116, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
1127,1128,
&end
#
# 75 SER HN 76 VAL HN 5.60 (# 178:12 Unique 2.07, 4.09 A)
&rst
ixpk= 178, nxpk= 12, iat=1105,1116, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 88 ILE HG1+ 89 LEU HN 4.50 (# 188:12 Unique 4.06, 4.49 A)
&rst
ixpk= 188, nxpk= 12, iat= -1,1317, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1308,1309,
&end
#
# 0 AMB 12-2:190 89 LEU HN 4.50 (# 190:12 Single Ambig)
&rst
ixpk= 190, nxpk= 12, iat= -1,1317, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1266,1255,
&end
#
# 89 LEU HA 89 LEU HN 4.50 (# 191:12 Unique 2.80, 2.81 A)
&rst
ixpk= 191, nxpk= 12, iat=1319,1317, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 88 ILE HA 89 LEU HN 5.50 (# 192:12 Unique 3.54, 3.55 A)
&rst
ixpk= 192, nxpk= 12, iat=1300,1317, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 ASP HB- 73 ASP HN 3.50 (# 193:12 Unique 2.28, 3.05 A)
&rst
ixpk= 193, nxpk= 12, iat= -1,1074, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1078,1079,
&end
#
# 0 AMB 12-2:194 89 LEU HN 3.50 (# 194:12 Single Ambig)
&rst
ixpk= 194, nxpk= 12, iat= -1,1317, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1321,1322,1302,
&end
#
# 0 AMB 12-2:196 89 LEU HN 3.50 (# 196:12 Single Ambig)
&rst
ixpk= 196, nxpk= 12, iat= -1,1317, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1321,1322,1324,
&end
#
# 28 THR MG2 29 GLU HN 4.50 (# 197:12 Unique 2.01, 3.66 A)
&rst
ixpk= 197, nxpk= 12, iat= -1, 446, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 438, 439, 440,
&end
#
# 88 ILE MG2 89 LEU HN 4.50 (# 198:12 Unique 3.50, 4.26 A)
&rst
ixpk= 198, nxpk= 12, iat= -1,1317, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1304,1305,1306,
&end
#
# 29 GLU HN 29 GLU HN 2.80 (# 199:12 Unique 0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
# 30 GLN HN 29 GLU HN 4.50 (# 200:12 Unique 2.69, 2.78 A)
&rst
ixpk= 200, nxpk= 12, iat= 461, 446, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 ILE HN 48 ALA HN 4.50 (# 201:12 Unique 2.60, 2.62 A)
&rst
ixpk= 201, nxpk= 12, iat= 723, 742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 LYS HN 48 ALA HN 4.50 (# 202:12 Unique 2.53, 2.54 A)
&rst
ixpk= 202, nxpk= 12, iat= 752, 742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ALA HN 48 ALA HN 2.80 (# 204:12 Unique 0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
# 28 THR HA 29 GLU HN 3.50 (# 207:12 Unique 2.48, 2.62 A)
&rst
ixpk= 207, nxpk= 12, iat= 434, 446, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 ASP HA 73 ASP HN 4.50 (# 208:12 Unique 2.28, 2.88 A)
&rst
ixpk= 208, nxpk= 12, iat=1076,1074, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 LYS HA 73 ASP HN 4.50 (# 209:12 Unique 2.14, 2.49 A)
&rst
ixpk= 209, nxpk= 12, iat=1054,1074, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ALA HA 48 ALA HN 4.50 (# 210:12 Unique 2.85, 2.85 A)
&rst
ixpk= 210, nxpk= 12, iat= 744, 742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:211 48 ALA HN 4.50 (# 211:12 Single Ambig)
&rst
ixpk= 211, nxpk= 12, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 696, 715,
&end
#
# 29 GLU HA 29 GLU HN 4.50 (# 212:12 Unique 2.76, 2.80 A)
&rst
ixpk= 212, nxpk= 12, iat= 448, 446, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 ILE HA 48 ALA HN 5.50 (# 213:12 Unique 3.50, 3.50 A)
&rst
ixpk= 213, nxpk= 12, iat= 725, 742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 GLN HG- 29 GLU HN 4.50 (# 214:12 Unique 3.82, 4.85 A)
&rst
ixpk= 214, nxpk= 12, iat= -1, 446, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 468, 469,
&end
#
# 29 GLU HB- 29 GLU HN 4.50 (# 218:12 Unique 2.09, 2.95 A)
&rst
ixpk= 218, nxpk= 12, iat= -1, 446, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 450, 451,
&end
#
# 50 LEU HG 50 LEU HN 4.50 (# 219:12 Unique 3.18, 3.26 A)
&rst
ixpk= 219, nxpk= 12, iat= 781, 774, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 ILE HB 48 ALA HN 4.50 (# 220:12 Unique 3.89, 3.93 A)
&rst
ixpk= 220, nxpk= 12, iat= 727, 742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ALA MB 48 ALA HN 3.50 (# 222:12 Unique 2.21, 2.89 A)
&rst
ixpk= 222, nxpk= 12, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 746, 747, 748,
&end
#
# 47 ILE MG2 48 ALA HN 4.50 (# 225:12 Unique 4.40, 4.73 A)
&rst
ixpk= 225, nxpk= 12, iat= -1, 742, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 729, 730, 731,
&end
#
# 0 AMB 12-2:227 19 ASP HN 4.50 (# 227:12 Single Ambig)
&rst
ixpk= 227, nxpk= 12, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 296, 265,
&end
#
# 19 ASP HA 19 ASP HN 4.50 (# 231:12 Unique 2.83, 2.84 A)
&rst
ixpk= 231, nxpk= 12, iat= 286, 284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLU HA 19 ASP HN 4.50 (# 232:12 Unique 3.52, 3.53 A)
&rst
ixpk= 232, nxpk= 12, iat= 242, 284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:233 50 LEU HN 4.50 (# 233:12 Single Ambig)
&rst
ixpk= 233, nxpk= 12, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 776, 754, 744,
&end
#
# 47 ILE HA 50 LEU HN 4.50 (# 234:12 Unique 3.51, 3.52 A)
&rst
ixpk= 234, nxpk= 12, iat= 725, 774, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 ASP HB- 19 ASP HN 4.50 (# 236:12 Unique 2.21, 2.60 A)
&rst
ixpk= 236, nxpk= 12, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 288, 289,
&end
#
# 18 ILE HB 19 ASP HN 4.50 (# 237:12 Unique 2.62, 2.68 A)
&rst
ixpk= 237, nxpk= 12, iat= 269, 284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:238 50 LEU HN 3.50 (# 238:12 Single Ambig)
&rst
ixpk= 238, nxpk= 12, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 778, 779, 756, 757,
&end
#
# 50 LEU HB- 50 LEU HN 4.50 (# 240:12 Unique 2.15, 2.82 A)
&rst
ixpk= 240, nxpk= 12, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 778, 779,
&end
#
# 18 ILE MG2 19 ASP HN 4.50 (# 241:12 Unique 3.91, 4.37 A)
&rst
ixpk= 241, nxpk= 12, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 271, 272, 273,
&end
#
# 50 LEU MDY 50 LEU HN 4.50 (# 242:12 Unique 3.22, 4.61 A)
&rst
ixpk= 242, nxpk= 12, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 783, 784, 785, 787, 788, 789,
&end
#
# 50 LEU MDX 50 LEU HN 4.50 (# 243:12 Unique 3.22, 4.61 A)
&rst
ixpk= 243, nxpk= 12, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 783, 784, 785, 787, 788, 789,
&end
#
# 13 GLU HN 14 VAL HN 4.50 (# 244:12 Unique 2.73, 2.85 A)
&rst
ixpk= 244, nxpk= 12, iat= 197, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 HIS HA 14 VAL HN 5.50 (# 246:12 Unique 3.31, 3.49 A)
&rst
ixpk= 246, nxpk= 12, iat= 158, 212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 GLU HA 14 VAL HN 4.50 (# 247:12 Unique 3.55, 3.56 A)
&rst
ixpk= 247, nxpk= 12, iat= 199, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 VAL HA 14 VAL HN 4.50 (# 248:12 Unique 2.76, 2.78 A)
&rst
ixpk= 248, nxpk= 12, iat= 214, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 ILE HA 19 ASP HN 5.50 (# 249:12 Unique 3.52, 3.53 A)
&rst
ixpk= 249, nxpk= 12, iat= 267, 284, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 GLU HG+ 14 VAL HN 5.50 (# 250:12 Unique 3.90, 4.72 A)
&rst
ixpk= 250, nxpk= 12, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 204, 205,
&end
#
# 0 AMB 12-2:251 14 VAL HN 3.50 (# 251:12 Single Ambig)
&rst
ixpk= 251, nxpk= 12, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 201, 202, 216,
&end
#
# 0 AMB 12-2:252 14 VAL HN 3.50 (# 252:12 Single Ambig)
&rst
ixpk= 252, nxpk= 12, iat= -1, 212, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
223, 224,
&end
#
# 0 AMB 12-2:254 53 LYS HN 4.50 (# 254:12 Single Ambig)
&rst
ixpk= 254, nxpk= 12, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 825, 814,
&end
#
# 0 AMB 12-2:255 53 LYS HN 4.50 (# 255:12 Single Ambig)
&rst
ixpk= 255, nxpk= 12, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 816, 817, 776,
&end
#
# 53 LYS HB- 53 LYS HN 4.50 (# 256:12 Unique 2.20, 3.21 A)
&rst
ixpk= 256, nxpk= 12, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 827, 828,
&end
#
# 53 LYS HG+ 53 LYS HN 4.50 (# 257:12 Unique 1.94, 2.84 A)
&rst
ixpk= 257, nxpk= 12, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 830, 831,
&end
#
# 54 GLN HN 53 LYS HN 5.60 (# 258:12 Unique 2.56, 2.93 A)
&rst
ixpk= 258, nxpk= 12, iat= 845, 823, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 52 SER HN 53 LYS HN 4.50 (# 259:12 Unique 2.68, 2.82 A)
&rst
ixpk= 259, nxpk= 12, iat= 812, 823, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 LYS HN 53 LYS HN 2.80 (# 260:12 Unique 0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
# 79 MET HA 80 LEU HN 4.50 (# 262:12 Unique 2.14, 2.40 A)
&rst
ixpk= 262, nxpk= 12, iat=1163,1178, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 LEU HA 80 LEU HN 4.50 (# 263:12 Unique 2.27, 2.84 A)
&rst
ixpk= 263, nxpk= 12, iat=1180,1178, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 LEU HG 80 LEU HN 4.50 (# 264:12 Unique 2.17, 3.59 A)
&rst
ixpk= 264, nxpk= 12, iat=1185,1178, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 LEU HB+ 80 LEU HN 4.50 (# 265:12 Unique 2.25, 3.24 A)
&rst
ixpk= 265, nxpk= 12, iat= -1,1178, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1182,1183,
&end
#
# 92 LEU HN 91 ARG HN 4.50 (# 267:12 Unique 2.66, 2.67 A)
&rst
ixpk= 267, nxpk= 12, iat=1374,1350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 ASN HN 91 ARG HN 4.50 (# 268:12 Unique 2.90, 2.92 A)
&rst
ixpk= 268, nxpk= 12, iat=1336,1350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 SER HN 37 GLU HN 4.50 (# 269:12 Unique 2.60, 2.65 A)
&rst
ixpk= 269, nxpk= 12, iat= 591, 576, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 ARG HA 91 ARG HN 3.50 (# 271:12 Unique 2.79, 2.80 A)
&rst
ixpk= 271, nxpk= 12, iat=1352,1350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 ILE HA 91 ARG HN 4.50 (# 272:12 Unique 3.87, 3.95 A)
&rst
ixpk= 272, nxpk= 12, iat=1300,1350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 ASN HB+ 91 ARG HN 4.50 (# 273:12 Unique 2.24, 2.85 A)
&rst
ixpk= 273, nxpk= 12, iat= -1,1350, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1340,1341,
&end
#
# 91 ARG HB+ 91 ARG HN 3.50 (# 274:12 Unique 2.13, 2.56 A)
&rst
ixpk= 274, nxpk= 12, iat= -1,1350, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1354,1355,
&end
#
# 36 MET HN 37 GLU HN 4.50 (# 276:12 Unique 2.49, 2.52 A)
&rst
ixpk= 276, nxpk= 12, iat= 559, 576, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 GLU HA 37 GLU HN 4.50 (# 277:12 Unique 2.77, 2.80 A)
&rst
ixpk= 277, nxpk= 12, iat= 578, 576, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:278 37 GLU HN 4.50 (# 278:12 Single Ambig)
&rst
ixpk= 278, nxpk= 12, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 536, 561,
&end
#
# 33 LEU HA 37 GLU HN 5.60 (# 279:12 Unique 3.94, 4.03 A)
&rst
ixpk= 279, nxpk= 12, iat= 517, 576, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 12-2:280 37 GLU HN 4.50 (# 280:12 Single Ambig)
&rst
ixpk= 280, nxpk= 12, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 563, 564, 583, 584,
&end
#
# 37 GLU HB+ 37 GLU HN 3.50 (# 282:12 Unique 2.21, 2.54 A)
&rst
ixpk= 282, nxpk= 12, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 580, 581,
&end
#
# 0 AMB 12-2:283 37 GLU HN 4.50 (# 283:12 Single Ambig)
&rst
ixpk= 283, nxpk= 12, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 563, 564, 566, 567,
&end
#
# 89 LEU MDX 37 GLU HN 4.50 (# 284:12 Unique 2.96, 4.95 A)
&rst
ixpk= 284, nxpk= 12, iat= -1, 576, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 96 VAL HN 95 ARG HN 4.50 (# 289:12 Unique 2.77, 2.82 A)
&rst
ixpk= 289, nxpk= 12, iat=1456,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 ALA HN 16 GLU HN 4.50 (# 290:12 Unique 2.86, 2.89 A)
&rst
ixpk= 290, nxpk= 12, iat= 255, 240, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 GLU HN 95 ARG HN 4.50 (# 292:12 Unique 2.60, 2.68 A)
&rst
ixpk= 292, nxpk= 12, iat=1417,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 TYR HA 82 ASP HN 4.50 (# 295:12 Unique 2.14, 2.50 A)
&rst
ixpk= 295, nxpk= 12, iat=1199,1218, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 ARG HA 95 ARG HN 5.60 (# 297:12 Unique 3.62, 3.77 A)
&rst
ixpk= 297, nxpk= 12, iat=1352,1432, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 0 AMB 12-2:298 16 GLU HN 3.50 (# 298:12 Single Ambig)
&rst
ixpk= 298, nxpk= 12, iat= -1, 240, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 242, 199,
&end
#
# 95 ARG HA 95 ARG HN 4.50 (# 299:12 Unique 2.77, 2.82 A)
&rst
ixpk= 299, nxpk= 12, iat=1434,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 ARG HD+ 95 ARG HN 5.50 (# 300:12 Unique 3.89, 4.83 A)
&rst
ixpk= 300, nxpk= 12, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1442,1443,
&end
#
# 95 ARG HD- 95 ARG HN 5.50 (# 303:12 Unique 3.89, 4.83 A)
&rst
ixpk= 303, nxpk= 12, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1442,1443,
&end
#
# 82 ASP HB- 82 ASP HN 4.50 (# 304:12 Unique 2.17, 3.25 A)
&rst
ixpk= 304, nxpk= 12, iat= -1,1218, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1222,1223,
&end
#
# 15 ASP HB- 16 GLU HN 4.50 (# 305:12 Unique 2.73, 3.31 A)
&rst
ixpk= 305, nxpk= 12, iat= -1, 240, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 232, 233,
&end
#
# 0 AMB 12-2:308 95 ARG HN 4.50 (# 308:12 Single Ambig)
&rst
ixpk= 308, nxpk= 12, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1424,1425,1436,1437,
&end
#
# 16 GLU HB+ 16 GLU HN 3.50 (# 309:12 Unique 2.48, 2.53 A)
&rst
ixpk= 309, nxpk= 12, iat= -1, 240, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 244, 245,
&end
#
# 94 GLU HB- 95 ARG HN 4.50 (# 310:12 Unique 2.38, 3.25 A)
&rst
ixpk= 310, nxpk= 12, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1421,1422,
&end
#
# 88 ILE HB 88 ILE HN 3.50 (# 311:12 Unique 2.53, 2.55 A)
&rst
ixpk= 311, nxpk= 12, iat=1302,1298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 12-2:312 95 ARG HN 3.50 (# 312:12 Single Ambig)
&rst
ixpk= 312, nxpk= 12, iat= -1,1432, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1436,1437,1439,1440,
&end
#
# 88 ILE MD1 88 ILE HN 4.50 (# 316:12 Unique 3.18, 3.98 A)
&rst
ixpk= 316, nxpk= 12, iat= -1,1298, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1311,1312,1313,
&end
#
# 16 GLU HG+ 16 GLU HN 4.50 (# 317:12 Unique 4.43, 4.45 A)
&rst
ixpk= 317, nxpk= 12, iat= -1, 240, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 247, 248,
&end
#
# 48 ALA HN 49 LYS HN 4.50 (# 319:12 Unique 2.53, 2.54 A)
&rst
ixpk= 319, nxpk= 12, iat= 742, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:321 0 AMB 12-1:321 3.50 (# 321:12 Double Ambig)
&rst
ixpk= 321, nxpk= 12, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 754, 744,1283,
igr2= 752,1298,
&end
#
# 0 AMB 12-2:322 49 LYS HN 4.50 (# 322:12 Single Ambig)
&rst
ixpk= 322, nxpk= 12, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 715, 696,
&end
#
# 49 LYS HB+ 49 LYS HN 3.50 (# 323:12 Unique 2.08, 2.70 A)
&rst
ixpk= 323, nxpk= 12, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 756, 757,
&end
#
# 0 AMB 12-2:324 49 LYS HN 3.50 (# 324:12 Single Ambig)
&rst
ixpk= 324, nxpk= 12, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 746, 747, 748, 759, 760,
&end
#
# 95 ARG HN 94 GLU HN 4.50 (# 326:12 Unique 2.60, 2.68 A)
&rst
ixpk= 326, nxpk= 12, iat=1432,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 VAL HN 94 GLU HN 5.60 (# 327:12 Unique 4.46, 4.55 A)
&rst
ixpk= 327, nxpk= 12, iat=1456,1417, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 93 ARG HN 94 GLU HN 4.50 (# 328:12 Unique 2.67, 2.68 A)
&rst
ixpk= 328, nxpk= 12, iat=1393,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:329 24 TYR HN 3.50 (# 329:12 Single Ambig)
&rst
ixpk= 329, nxpk= 12, iat= -1, 372, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 348, 393,
&end
#
# 53 LYS HN 54 GLN HN 5.50 (# 330:12 Unique 2.56, 2.93 A)
&rst
ixpk= 330, nxpk= 12, iat= 823, 845, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 SER HA 54 GLN HN 4.50 (# 334:12 Unique 3.50, 4.13 A)
&rst
ixpk= 334, nxpk= 12, iat= 814, 845, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 TYR HA 24 TYR HN 3.50 (# 335:12 Unique 2.76, 2.76 A)
&rst
ixpk= 335, nxpk= 12, iat= 374, 372, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 ARG HA 94 GLU HN 4.50 (# 336:12 Unique 3.60, 3.63 A)
&rst
ixpk= 336, nxpk= 12, iat=1352,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 ARG HA 24 TYR HN 4.50 (# 337:12 Unique 3.50, 3.50 A)
&rst
ixpk= 337, nxpk= 12, iat= 350, 372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 GLU HA 94 GLU HN 4.50 (# 338:12 Unique 2.80, 2.81 A)
&rst
ixpk= 338, nxpk= 12, iat=1419,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:339 94 GLU HN 4.50 (# 339:12 Single Ambig)
&rst
ixpk= 339, nxpk= 12, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1395,1376,
&end
#
# 21 ILE HA 24 TYR HN 4.50 (# 340:12 Unique 3.31, 3.38 A)
&rst
ixpk= 340, nxpk= 12, iat= 312, 372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 TYR HB+ 24 TYR HN 4.50 (# 341:12 Unique 2.10, 2.61 A)
&rst
ixpk= 341, nxpk= 12, iat= -1, 372, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 376, 377,
&end
#
# 24 TYR HB- 24 TYR HN 4.50 (# 342:12 Unique 2.10, 2.61 A)
&rst
ixpk= 342, nxpk= 12, iat= -1, 372, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 376, 377,
&end
#
# 54 GLN HG+ 54 GLN HN 4.50 (# 344:12 Unique 2.03, 4.00 A)
&rst
ixpk= 344, nxpk= 12, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 852, 853,
&end
#
# 94 GLU HG- 94 GLU HN 4.50 (# 345:12 Unique 2.13, 2.38 A)
&rst
ixpk= 345, nxpk= 12, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1424,1425,
&end
#
# 54 GLN HB- 54 GLN HN 4.50 (# 346:12 Unique 2.07, 3.17 A)
&rst
ixpk= 346, nxpk= 12, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 849, 850,
&end
#
# 94 GLU HB- 94 GLU HN 4.50 (# 347:12 Unique 2.69, 3.14 A)
&rst
ixpk= 347, nxpk= 12, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1421,1422,
&end
#
# 0 AMB 12-2:348 24 TYR HN 4.50 (# 348:12 Single Ambig)
&rst
ixpk= 348, nxpk= 12, iat= -1, 372, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 352, 353, 352, 353,
&end
#
# 0 AMB 12-2:349 94 GLU HN 4.50 (# 349:12 Single Ambig)
&rst
ixpk= 349, nxpk= 12, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1397,1398,1400,1401,
&end
#
# 93 ARG HG- 94 GLU HN 5.50 (# 350:12 Unique 4.41, 4.83 A)
&rst
ixpk= 350, nxpk= 12, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1400,1401,
&end
#
# 79 MET HA 79 MET HN 4.50 (# 358:12 Unique 2.27, 2.83 A)
&rst
ixpk= 358, nxpk= 12, iat=1163,1161, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 GLY HA- 79 MET HN 4.50 (# 360:12 Unique 2.14, 2.68 A)
&rst
ixpk= 360, nxpk= 12, iat= -1,1161, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1156,1157,
&end
#
# 41 GLY HN 42 ARG HN 4.50 (# 366:12 Unique 2.08, 2.57 A)
&rst
ixpk= 366, nxpk= 12, iat= 623, 630, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ARG HN 42 ARG HN 2.80 (# 367:12 Unique 0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
# 42 ARG HA 42 ARG HN 4.50 (# 371:12 Unique 2.78, 2.81 A)
&rst
ixpk= 371, nxpk= 12, iat= 632, 630, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:372 42 ARG HN 4.50 (# 372:12 Single Ambig)
&rst
ixpk= 372, nxpk= 12, iat= -1, 630, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 625, 626, 618, 619, 561,
&end
#
# 0 AMB 12-2:374 42 ARG HN 4.50 (# 374:12 Single Ambig)
&rst
ixpk= 374, nxpk= 12, iat= -1, 630, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 625, 626, 640, 641,
&end
#
# 0 AMB 12-2:376 42 ARG HN 4.50 (# 376:12 Single Ambig)
&rst
ixpk= 376, nxpk= 12, iat= -1, 630, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 634, 635, 698,
&end
#
# 0 AMB 12-2:380 20 ASN HN 4.50 (# 380:12 Single Ambig)
&rst
ixpk= 380, nxpk= 12, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 284, 329,
&end
#
# 28 THR HN 31 GLN HN 5.50 (# 382:12 Unique 3.26, 3.42 A)
&rst
ixpk= 382, nxpk= 12, iat= 432, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 ILE HN 20 ASN HN 4.50 (# 383:12 Unique 2.68, 2.74 A)
&rst
ixpk= 383, nxpk= 12, iat= 310, 296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASN HA 20 ASN HN 4.50 (# 384:12 Unique 2.81, 2.82 A)
&rst
ixpk= 384, nxpk= 12, iat= 298, 296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 GLN HA 31 GLN HN 4.50 (# 385:12 Unique 2.78, 2.78 A)
&rst
ixpk= 385, nxpk= 12, iat= 480, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 GLN HA 31 GLN HN 4.50 (# 386:12 Unique 3.54, 3.55 A)
&rst
ixpk= 386, nxpk= 12, iat= 463, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASN HB+ 20 ASN HN 4.50 (# 387:12 Unique 2.12, 2.57 A)
&rst
ixpk= 387, nxpk= 12, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 300, 301,
&end
#
# 20 ASN HB- 20 ASN HN 4.50 (# 388:12 Unique 2.12, 2.57 A)
&rst
ixpk= 388, nxpk= 12, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 300, 301,
&end
#
# 19 ASP HB- 20 ASN HN 4.50 (# 389:12 Unique 2.61, 3.31 A)
&rst
ixpk= 389, nxpk= 12, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 288, 289,
&end
#
# 0 AMB 12-2:390 31 GLN HN 3.50 (# 390:12 Single Ambig)
&rst
ixpk= 390, nxpk= 12, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 485, 486, 468, 469,
&end
#
# 31 GLN HB- 31 GLN HN 4.50 (# 392:12 Unique 2.46, 3.09 A)
&rst
ixpk= 392, nxpk= 12, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 482, 483,
&end
#
# 33 LEU HN 34 GLU HN 4.50 (# 395:12 Unique 2.86, 2.88 A)
&rst
ixpk= 395, nxpk= 12, iat= 515, 534, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 MET HN 34 GLU HN 5.60 (# 396:12 Unique 4.35, 4.40 A)
&rst
ixpk= 396, nxpk= 12, iat= 559, 534, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 34 GLU HA 34 GLU HN 3.50 (# 398:12 Unique 2.85, 2.85 A)
&rst
ixpk= 398, nxpk= 12, iat= 536, 534, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 LEU HA 34 GLU HN 5.50 (# 399:12 Unique 3.56, 3.56 A)
&rst
ixpk= 399, nxpk= 12, iat= 517, 534, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 GLU HB+ 34 GLU HN 3.50 (# 402:12 Unique 2.08, 2.71 A)
&rst
ixpk= 402, nxpk= 12, iat= -1, 534, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 538, 539,
&end
#
# 33 LEU HG 34 GLU HN 5.50 (# 404:12 Unique 4.99, 4.99 A)
&rst
ixpk= 404, nxpk= 12, iat= 522, 534, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 LEU HB- 34 GLU HN 4.50 (# 405:12 Unique 2.39, 2.92 A)
&rst
ixpk= 405, nxpk= 12, iat= -1, 534, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 519, 520,
&end
#
# 33 LEU MDX 34 GLU HN 4.50 (# 406:12 Unique 3.74, 4.98 A)
&rst
ixpk= 406, nxpk= 12, iat= -1, 534, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 524, 525, 526, 528, 529, 530,
&end
#
# 52 SER HN 51 LEU HN 3.50 (# 407:12 Unique 2.36, 2.43 A)
&rst
ixpk= 407, nxpk= 12, iat= 812, 793, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 GLN HN 34 GLU HN 5.50 (# 408:12 Unique 4.85, 4.89 A)
&rst
ixpk= 408, nxpk= 12, iat= 478, 534, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 LYS HA 51 LEU HN 4.50 (# 409:12 Unique 4.50, 4.51 A)
&rst
ixpk= 409, nxpk= 12, iat= 754, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 LEU HB+ 51 LEU HN 4.50 (# 410:12 Unique 2.81, 3.07 A)
&rst
ixpk= 410, nxpk= 12, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 778, 779,
&end
#
# 51 LEU HB+ 51 LEU HN 4.50 (# 411:12 Unique 2.31, 2.95 A)
&rst
ixpk= 411, nxpk= 12, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 51 LEU HG 51 LEU HN 4.50 (# 412:12 Unique 2.64, 2.65 A)
&rst
ixpk= 412, nxpk= 12, iat= 800, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 LEU HB- 51 LEU HN 4.50 (# 413:12 Unique 2.31, 2.95 A)
&rst
ixpk= 413, nxpk= 12, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 50 LEU HB- 51 LEU HN 5.50 (# 414:12 Unique 2.81, 3.07 A)
&rst
ixpk= 414, nxpk= 12, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 778, 779,
&end
#
# 25 THR MG2 51 LEU HN 5.50 (# 415:12 Unique 3.74, 4.23 A)
&rst
ixpk= 415, nxpk= 12, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 399, 400, 401,
&end
#
# 51 LEU MDY 51 LEU HN 4.50 (# 416:12 Unique 3.74, 4.56 A)
&rst
ixpk= 416, nxpk= 12, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 0 AMB 12-2:418 87 GLN HN 3.50 (# 418:12 Single Ambig)
&rst
ixpk= 418, nxpk= 12, iat= -1,1281, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1285,1286,1268,1269,
&end
#
# 51 LEU MDX 51 LEU HN 4.50 (# 419:12 Unique 3.74, 4.56 A)
&rst
ixpk= 419, nxpk= 12, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 802, 803, 804, 806, 807, 808,
&end
#
# 44 ARG HN 44 ARG HN 3.50 (# 420:12 Unique 0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
# 37 GLU HN 36 MET HN 4.50 (# 421:12 Unique 2.49, 2.52 A)
&rst
ixpk= 421, nxpk= 12, iat= 576, 559, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:422 44 ARG HN 5.50 (# 422:12 Single Ambig)
&rst
ixpk= 422, nxpk= 12, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 654, 723,
&end
#
# 86 GLN HN 87 GLN HN 4.50 (# 423:12 Unique 2.70, 2.80 A)
&rst
ixpk= 423, nxpk= 12, iat=1264,1281, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 ALA HN 36 MET HN 4.50 (# 424:12 Unique 2.83, 2.84 A)
&rst
ixpk= 424, nxpk= 12, iat= 549, 559, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 ILE HN 44 ARG HN 4.50 (# 426:12 Unique 2.78, 2.79 A)
&rst
ixpk= 426, nxpk= 12, iat= 694, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ARG HA 44 ARG HN 5.60 (# 429:12 Unique 3.58, 3.63 A)
&rst
ixpk= 429, nxpk= 12, iat= 632, 670, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 87 GLN HA 87 GLN HN 4.50 (# 431:12 Unique 2.77, 2.79 A)
&rst
ixpk= 431, nxpk= 12, iat=1283,1281, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:432 36 MET HN 4.50 (# 432:12 Single Ambig)
&rst
ixpk= 432, nxpk= 12, iat= -1, 559, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 561, 536,
&end
#
# 0 AMB 12-2:433 44 ARG HN 4.50 (# 433:12 Single Ambig)
&rst
ixpk= 433, nxpk= 12, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 672, 656,
&end
#
# 33 LEU HA 36 MET HN 5.50 (# 434:12 Unique 3.95, 3.98 A)
&rst
ixpk= 434, nxpk= 12, iat= 517, 559, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 MET HB+ 36 MET HN 4.50 (# 436:12 Unique 2.47, 3.06 A)
&rst
ixpk= 436, nxpk= 12, iat= -1, 559, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 563, 564,
&end
#
# 43 VAL HB 44 ARG HN 4.50 (# 437:12 Unique 2.53, 3.88 A)
&rst
ixpk= 437, nxpk= 12, iat= 658, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 MET HG+ 36 MET HN 4.50 (# 438:12 Unique 2.15, 2.94 A)
&rst
ixpk= 438, nxpk= 12, iat= -1, 559, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 566, 567,
&end
#
# 44 ARG HB+ 44 ARG HN 4.50 (# 439:12 Unique 2.57, 3.10 A)
&rst
ixpk= 439, nxpk= 12, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 674, 675,
&end
#
# 44 ARG HB- 44 ARG HN 3.50 (# 440:12 Unique 2.57, 3.10 A)
&rst
ixpk= 440, nxpk= 12, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 44 ARG HG+ 44 ARG HN 5.50 (# 442:12 Unique 1.93, 2.69 A)
&rst
ixpk= 442, nxpk= 12, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 677, 678,
&end
#
# 43 VAL MGX 44 ARG HN 5.50 (# 444:12 Unique 1.97, 3.84 A)
&rst
ixpk= 444, nxpk= 12, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 43 VAL MGY 44 ARG HN 4.50 (# 445:12 Unique 1.97, 3.84 A)
&rst
ixpk= 445, nxpk= 12, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 660, 661, 662, 664, 665, 666,
&end
#
# 44 ARG HN 45 ILE HN 4.50 (# 448:12 Unique 2.78, 2.79 A)
&rst
ixpk= 448, nxpk= 12, iat= 670, 694, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:449 45 ILE HN 5.60 (# 449:12 Single Ambig)
&rst
ixpk= 449, nxpk= 12, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr1= 654, 723,
&end
#
# 46 ALA HN 45 ILE HN 4.50 (# 450:12 Unique 2.57, 2.61 A)
&rst
ixpk= 450, nxpk= 12, iat= 713, 694, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:451 45 ILE HN 5.50 (# 451:12 Single Ambig)
&rst
ixpk= 451, nxpk= 12, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 606, 632,
&end
#
# 0 AMB 12-2:452 45 ILE HN 4.50 (# 452:12 Single Ambig)
&rst
ixpk= 452, nxpk= 12, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 696, 656,
&end
#
# 45 ILE HB 45 ILE HN 4.50 (# 453:12 Unique 2.62, 2.63 A)
&rst
ixpk= 453, nxpk= 12, iat= 698, 694, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 ARG HG+ 45 ILE HN 4.50 (# 455:12 Unique 2.00, 2.23 A)
&rst
ixpk= 455, nxpk= 12, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 677, 678,
&end
#
# 45 ILE HG1- 45 ILE HN 4.50 (# 456:12 Unique 1.94, 2.58 A)
&rst
ixpk= 456, nxpk= 12, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 704, 705,
&end
#
# 45 ILE MG2 45 ILE HN 4.50 (# 457:12 Unique 4.42, 4.53 A)
&rst
ixpk= 457, nxpk= 12, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 700, 701, 702,
&end
#
# 45 ILE MD1 45 ILE HN 5.50 (# 458:12 Unique 3.92, 4.29 A)
&rst
ixpk= 458, nxpk= 12, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 707, 708, 709,
&end
#
# 102 GLN HA 103 SER HN 4.50 (# 460:12 Unique 2.20, 2.56 A)
&rst
ixpk= 460, nxpk= 12, iat=1527,1542, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 GLU HN 30 GLN HN 4.50 (# 461:12 Unique 2.69, 2.78 A)
&rst
ixpk= 461, nxpk= 12, iat= 446, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 GLN HN 30 GLN HN 4.50 (# 462:12 Unique 2.69, 2.75 A)
&rst
ixpk= 462, nxpk= 12, iat= 478, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 THR HA 30 GLN HN 5.60 (# 465:12 Unique 4.57, 4.79 A)
&rst
ixpk= 465, nxpk= 12, iat= 434, 461, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 30 GLN HA 30 GLN HN 4.50 (# 466:12 Unique 2.79, 2.80 A)
&rst
ixpk= 466, nxpk= 12, iat= 463, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 GLN HG- 30 GLN HN 4.50 (# 467:12 Unique 1.97, 2.51 A)
&rst
ixpk= 467, nxpk= 12, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 468, 469,
&end
#
# 30 GLN HB- 30 GLN HN 3.50 (# 469:12 Unique 2.45, 3.13 A)
&rst
ixpk= 469, nxpk= 12, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 465, 466,
&end
#
# 28 THR MG2 30 GLN HN 5.50 (# 470:12 Unique 1.95, 4.94 A)
&rst
ixpk= 470, nxpk= 12, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 438, 439, 440,
&end
#
# 19 ASP HN 18 ILE HN 4.50 (# 472:12 Unique 2.65, 2.67 A)
&rst
ixpk= 472, nxpk= 12, iat= 284, 265, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 ASP HA 18 ILE HN 4.50 (# 473:12 Unique 3.83, 3.85 A)
&rst
ixpk= 473, nxpk= 12, iat= 230, 265, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 ALA HA 18 ILE HN 5.50 (# 474:12 Unique 3.55, 3.56 A)
&rst
ixpk= 474, nxpk= 12, iat= 257, 265, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ILE HA 18 ILE HN 4.50 (# 475:12 Unique 2.80, 2.81 A)
&rst
ixpk= 475, nxpk= 12, iat= 267, 265, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 ARG HN 96 VAL HN 4.50 (# 476:12 Unique 2.77, 2.82 A)
&rst
ixpk= 476, nxpk= 12, iat=1432,1456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:477 96 VAL HN 4.50 (# 477:12 Single Ambig)
&rst
ixpk= 477, nxpk= 12, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1472,1483,
&end
#
# 17 ALA HN 18 ILE HN 4.50 (# 478:12 Unique 2.87, 2.89 A)
&rst
ixpk= 478, nxpk= 12, iat= 255, 265, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:479 96 VAL HN 3.50 (# 479:12 Single Ambig)
&rst
ixpk= 479, nxpk= 12, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1458,1376,
&end
#
# 95 ARG HB+ 96 VAL HN 4.50 (# 480:12 Unique 2.17, 2.92 A)
&rst
ixpk= 480, nxpk= 12, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1436,1437,
&end
#
# 18 ILE HB 18 ILE HN 3.50 (# 481:12 Unique 2.52, 2.53 A)
&rst
ixpk= 481, nxpk= 12, iat= 269, 265, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 VAL HB 96 VAL HN 3.50 (# 482:12 Unique 2.52, 2.55 A)
&rst
ixpk= 482, nxpk= 12, iat=1460,1456, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 12-2:483 96 VAL HN 4.50 (# 483:12 Single Ambig)
&rst
ixpk= 483, nxpk= 12, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1436,1437,1439,1440,
&end
#
# 17 ALA MB 18 ILE HN 4.50 (# 484:12 Unique 2.39, 3.30 A)
&rst
ixpk= 484, nxpk= 12, iat= -1, 265, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 259, 260, 261,
&end
#
# 0 AMB 12-2:485 18 ILE HN 3.50 (# 485:12 Single Ambig)
&rst
ixpk= 485, nxpk= 12, iat= -1, 265, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 278, 279, 280, 271, 272, 273,
&end
#
# 0 AMB 12-2:486 96 VAL HN 3.50 (# 486:12 Single Ambig)
&rst
ixpk= 486, nxpk= 12, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1462,1463,1464,1466,1467,1468,1462,1463,1464,1466,
1467,1468,
&end
#
# 22 LEU HN 23 ARG HN 4.50 (# 487:12 Unique 2.71, 2.85 A)
&rst
ixpk= 487, nxpk= 12, iat= 329, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 TYR HN 23 ARG HN 4.50 (# 488:12 Unique 2.46, 2.51 A)
&rst
ixpk= 488, nxpk= 12, iat= 372, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 ASP HA 23 ARG HN 5.50 (# 489:12 Unique 3.61, 3.69 A)
&rst
ixpk= 489, nxpk= 12, iat= 286, 348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 12-2:490 0 AMB 12-1:490 3.50 (# 490:12 Double Ambig)
&rst
ixpk= 490, nxpk= 12, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1180, 350,
igr2=1197, 348,
&end
#
# 22 LEU HA 23 ARG HN 5.50 (# 491:12 Unique 3.55, 3.56 A)
&rst
ixpk= 491, nxpk= 12, iat= 331, 348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 12-2:492 23 ARG HN 3.50 (# 492:12 Single Ambig)
&rst
ixpk= 492, nxpk= 12, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 352, 353, 352, 353,
&end
#
# 22 LEU MDX 23 ARG HN 5.50 (# 494:12 Unique 4.19, 4.94 A)
&rst
ixpk= 494, nxpk= 12, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 74 LEU MDX 75 SER HN 4.50 (# 495:12 Unique 1.95, 4.49 A)
&rst
ixpk= 495, nxpk= 12, iat= -1,1105, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1095,1096,1097,1099,1100,1101,
&end
#
# 81 TYR HA 81 TYR HN 4.50 (# 498:12 Unique 2.27, 2.81 A)
&rst
ixpk= 498, nxpk= 12, iat=1199,1197, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 SER HA 75 SER HN 4.50 (# 499:12 Unique 2.28, 2.77 A)
&rst
ixpk= 499, nxpk= 12, iat=1107,1105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 LEU HA 75 SER HN 4.50 (# 500:12 Unique 2.14, 2.46 A)
&rst
ixpk= 500, nxpk= 12, iat=1088,1105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 LEU HB+ 75 SER HN 4.50 (# 501:12 Unique 2.21, 3.49 A)
&rst
ixpk= 501, nxpk= 12, iat= -1,1105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1090,1091,
&end
#
# 46 ALA HN 47 ILE HN 4.50 (# 507:12 Unique 2.69, 2.75 A)
&rst
ixpk= 507, nxpk= 12, iat= 713, 723, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:508 47 ILE HN 5.60 (# 508:12 Single Ambig)
&rst
ixpk= 508, nxpk= 12, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr1= 752, 774,
&end
#
# 48 ALA HN 47 ILE HN 4.50 (# 509:12 Unique 2.60, 2.62 A)
&rst
ixpk= 509, nxpk= 12, iat= 742, 723, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 ILE HN 47 ILE HN 5.50 (# 510:12 Unique 4.37, 4.40 A)
&rst
ixpk= 510, nxpk= 12, iat= 694, 723, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 12-2:511 47 ILE HN 4.50 (# 511:12 Single Ambig)
&rst
ixpk= 511, nxpk= 12, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 656, 672, 696,
&end
#
# 47 ILE HA 47 ILE HN 4.50 (# 512:12 Unique 2.81, 2.82 A)
&rst
ixpk= 512, nxpk= 12, iat= 725, 723, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 ILE HG1+ 47 ILE HN 4.50 (# 513:12 Unique 2.18, 2.83 A)
&rst
ixpk= 513, nxpk= 12, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 733, 734,
&end
#
# 47 ILE HB 47 ILE HN 4.50 (# 514:12 Unique 3.61, 3.61 A)
&rst
ixpk= 514, nxpk= 12, iat= 727, 723, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ALA MB 47 ILE HN 4.50 (# 516:12 Unique 2.49, 3.20 A)
&rst
ixpk= 516, nxpk= 12, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 717, 718, 719,
&end
#
# 47 ILE MD1 47 ILE HN 4.50 (# 519:12 Unique 3.96, 4.46 A)
&rst
ixpk= 519, nxpk= 12, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 736, 737, 738,
&end
#
# 47 ILE HG1- 47 ILE HN 4.50 (# 520:12 Unique 2.18, 2.83 A)
&rst
ixpk= 520, nxpk= 12, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 733, 734,
&end
#
# 93 ARG HD+ 93 ARG HN 5.50 (# 523:12 Unique 3.37, 4.53 A)
&rst
ixpk= 523, nxpk= 12, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1403,1404,
&end
#
# 92 LEU HN 93 ARG HN 4.50 (# 526:12 Unique 2.56, 2.59 A)
&rst
ixpk= 526, nxpk= 12, iat=1374,1393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 GLU HN 93 ARG HN 4.50 (# 527:12 Unique 2.67, 2.68 A)
&rst
ixpk= 527, nxpk= 12, iat=1417,1393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 ASN HA 93 ARG HN 5.50 (# 529:12 Unique 3.45, 3.53 A)
&rst
ixpk= 529, nxpk= 12, iat=1338,1393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 12-2:530 93 ARG HN 4.50 (# 530:12 Single Ambig)
&rst
ixpk= 530, nxpk= 12, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1395,1376,
&end
#
# 94 GLU HG- 93 ARG HN 4.50 (# 531:12 Unique 3.99, 4.56 A)
&rst
ixpk= 531, nxpk= 12, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1424,1425,
&end
#
# 0 AMB 12-2:532 93 ARG HN 3.50 (# 532:12 Single Ambig)
&rst
ixpk= 532, nxpk= 12, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1397,1398,1400,1401,
&end
#
# 93 ARG HG- 93 ARG HN 4.50 (# 533:12 Unique 2.62, 3.84 A)
&rst
ixpk= 533, nxpk= 12, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1400,1401,
&end
#
# 92 LEU HB- 93 ARG HN 4.50 (# 534:12 Unique 2.64, 3.36 A)
&rst
ixpk= 534, nxpk= 12, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1378,1379,
&end
#
# 92 LEU HN 90 ASN HN 5.50 (# 541:12 Unique 3.96, 3.99 A)
&rst
ixpk= 541, nxpk= 12, iat=1374,1336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 ARG HN 90 ASN HN 4.50 (# 542:12 Unique 2.90, 2.92 A)
&rst
ixpk= 542, nxpk= 12, iat=1350,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 ASN HA 90 ASN HN 4.50 (# 543:12 Unique 2.77, 2.77 A)
&rst
ixpk= 543, nxpk= 12, iat=1338,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 GLN HA 90 ASN HN 4.50 (# 544:12 Unique 3.70, 3.84 A)
&rst
ixpk= 544, nxpk= 12, iat=1283,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 LEU HA 90 ASN HN 5.50 (# 545:12 Unique 3.56, 3.57 A)
&rst
ixpk= 545, nxpk= 12, iat=1319,1336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 ASN HB+ 90 ASN HN 3.50 (# 546:12 Unique 2.07, 2.68 A)
&rst
ixpk= 546, nxpk= 12, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1340,1341,
&end
#
# 89 LEU HB+ 90 ASN HN 4.50 (# 548:12 Unique 2.25, 2.86 A)
&rst
ixpk= 548, nxpk= 12, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1321,1322,
&end
#
# 89 LEU HB- 90 ASN HN 4.50 (# 549:12 Unique 2.25, 2.86 A)
&rst
ixpk= 549, nxpk= 12, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1321,1322,
&end
#
# 89 LEU MDX 90 ASN HN 4.50 (# 550:12 Unique 3.21, 4.92 A)
&rst
ixpk= 550, nxpk= 12, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 99 SER HA 100 THR HN 4.50 (# 554:12 Unique 2.19, 2.72 A)
&rst
ixpk= 554, nxpk= 12, iat=1492,1501, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 SER HA 99 SER HN 4.50 (# 555:12 Unique 2.27, 2.84 A)
&rst
ixpk= 555, nxpk= 12, iat=1492,1490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:557 99 SER HN 4.50 (# 557:12 Single Ambig)
&rst
ixpk= 557, nxpk= 12, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1485,1486,1419,
&end
#
# 99 SER HB+ 100 THR HN 4.50 (# 558:12 Unique 2.07, 3.16 A)
&rst
ixpk= 558, nxpk= 12, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1494,1495,
&end
#
# 99 SER HB+ 99 SER HN 4.50 (# 559:12 Unique 2.47, 3.48 A)
&rst
ixpk= 559, nxpk= 12, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1494,1495,
&end
#
# 100 THR MG2 100 THR HN 5.50 (# 560:12 Unique 2.01, 3.58 A)
&rst
ixpk= 560, nxpk= 12, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1507,1508,1509,
&end
#
# 96 VAL HN 97 SER HN 4.50 (# 561:12 Unique 2.71, 2.92 A)
&rst
ixpk= 561, nxpk= 12, iat=1456,1472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 SER HA 97 SER HN 4.50 (# 562:12 Unique 2.75, 2.77 A)
&rst
ixpk= 562, nxpk= 12, iat=1474,1472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 SER HB+ 97 SER HN 3.50 (# 563:12 Unique 2.19, 2.64 A)
&rst
ixpk= 563, nxpk= 12, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1476,1477,
&end
#
# 96 VAL HB 97 SER HN 4.50 (# 564:12 Unique 2.09, 2.15 A)
&rst
ixpk= 564, nxpk= 12, iat=1460,1472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:565 97 SER HN 4.50 (# 565:12 Single Ambig)
&rst
ixpk= 565, nxpk= 12, iat= -1,1472, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1462,1463,1464,1466,1467,1468,1462,1463,1464,1466,
1467,1468,
&end
#
# 51 LEU HN 52 SER HN 4.50 (# 566:12 Unique 2.36, 2.43 A)
&rst
ixpk= 566, nxpk= 12, iat= 793, 812, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:567 52 SER HN 5.60 (# 567:12 Single Ambig)
&rst
ixpk= 567, nxpk= 12, iat= -1, 812, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr1= 774, 752,
&end
#
# 53 LYS HN 52 SER HN 4.50 (# 568:12 Unique 2.68, 2.82 A)
&rst
ixpk= 568, nxpk= 12, iat= 823, 812, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 SER HA 52 SER HN 4.50 (# 569:12 Unique 2.75, 2.76 A)
&rst
ixpk= 569, nxpk= 12, iat= 814, 812, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:570 52 SER HN 3.50 (# 570:12 Single Ambig)
&rst
ixpk= 570, nxpk= 12, iat= -1, 812, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 816, 817, 744,
&end
#
# 51 LEU HB+ 52 SER HN 4.50 (# 571:12 Unique 2.70, 3.32 A)
&rst
ixpk= 571, nxpk= 12, iat= -1, 812, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 51 LEU HB- 52 SER HN 4.50 (# 572:12 Unique 2.70, 3.32 A)
&rst
ixpk= 572, nxpk= 12, iat= -1, 812, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 797, 798,
&end
#
# 0 AMB 12-2:581 55 THR HN 4.50 (# 581:12 Single Ambig)
&rst
ixpk= 581, nxpk= 12, iat= -1, 862, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 847, 864,
&end
#
# 55 THR MG2 55 THR HN 5.50 (# 582:12 Unique 1.95, 3.52 A)
&rst
ixpk= 582, nxpk= 12, iat= -1, 862, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 868, 869, 870,
&end
#
# 37 GLU HN 38 SER HN 4.50 (# 595:12 Unique 2.60, 2.65 A)
&rst
ixpk= 595, nxpk= 12, iat= 576, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 THR HN 38 SER HN 4.50 (# 596:12 Unique 2.42, 2.51 A)
&rst
ixpk= 596, nxpk= 12, iat= 602, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 SER HA 38 SER HN 4.50 (# 597:12 Unique 2.80, 2.89 A)
&rst
ixpk= 597, nxpk= 12, iat= 593, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:598 38 SER HN 3.50 (# 598:12 Single Ambig)
&rst
ixpk= 598, nxpk= 12, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 595, 596, 595, 596,
&end
#
# 37 GLU HB+ 38 SER HN 4.50 (# 599:12 Unique 2.62, 3.47 A)
&rst
ixpk= 599, nxpk= 12, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 580, 581,
&end
#
# 26 ASN HN 27 SER HN 4.50 (# 637:12 Unique 2.80, 2.81 A)
&rst
ixpk= 637, nxpk= 12, iat= 407, 421, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 SER HA 27 SER HN 4.50 (# 642:12 Unique 2.94, 2.95 A)
&rst
ixpk= 642, nxpk= 12, iat= 423, 421, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 ASN HA 27 SER HN 4.50 (# 644:12 Unique 2.58, 2.60 A)
&rst
ixpk= 644, nxpk= 12, iat= 409, 421, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU MDY 27 SER HN 5.50 (# 652:12 Unique 2.08, 4.70 A)
&rst
ixpk= 652, nxpk= 12, iat= -1, 421, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 41 GLY HN 40 GLY HN 4.50 (# 693:12 Unique 1.89, 2.16 A)
&rst
ixpk= 693, nxpk= 12, iat= 623, 616, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 THR HN 40 GLY HN 4.50 (# 694:12 Unique 2.53, 2.63 A)
&rst
ixpk= 694, nxpk= 12, iat= 602, 616, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 THR HA 40 GLY HN 4.50 (# 695:12 Unique 3.40, 3.48 A)
&rst
ixpk= 695, nxpk= 12, iat= 604, 616, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 GLU HA 40 GLY HN 5.60 (# 696:12 Unique 3.57, 3.85 A)
&rst
ixpk= 696, nxpk= 12, iat= 578, 616, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35, &end
#
# 36 MET HA 40 GLY HN 4.50 (# 697:12 Unique 3.30, 3.69 A)
&rst
ixpk= 697, nxpk= 12, iat= 561, 616, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 GLY HA- 40 GLY HN 4.50 (# 698:12 Unique 2.38, 2.70 A)
&rst
ixpk= 698, nxpk= 12, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 618, 619,
&end
#
# 39 THR MG2 40 GLY HN 5.60 (# 699:12 Unique 4.24, 4.96 A)
&rst
ixpk= 699, nxpk= 12, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 608, 609, 610,
&end
#
# 57 GLY HA+ 57 GLY HN 5.50 (# 701:12 Unique 2.30, 2.69 A)
&rst
ixpk= 701, nxpk= 12, iat= -1, 887, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 889, 890,
&end
#
# 31 GLN HN 28 THR HN 5.50 (# 710:12 Unique 3.26, 3.42 A)
&rst
ixpk= 710, nxpk= 12, iat= 478, 432, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 SER HA 28 THR HN 3.50 (# 712:12 Unique 2.55, 2.65 A)
&rst
ixpk= 712, nxpk= 12, iat= 423, 432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 THR HA 28 THR HN 4.50 (# 713:12 Unique 2.94, 2.95 A)
&rst
ixpk= 713, nxpk= 12, iat= 434, 432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 SER HB- 28 THR HN 4.50 (# 716:12 Unique 1.95, 2.84 A)
&rst
ixpk= 716, nxpk= 12, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 425, 426,
&end
#
# 31 GLN HB+ 28 THR HN 4.50 (# 717:12 Unique 1.94, 2.65 A)
&rst
ixpk= 717, nxpk= 12, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 482, 483,
&end
#
# 31 GLN HB- 28 THR HN 4.50 (# 718:12 Unique 1.94, 2.65 A)
&rst
ixpk= 718, nxpk= 12, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 482, 483,
&end
#
# 28 THR MG2 28 THR HN 4.50 (# 719:12 Unique 2.07, 4.06 A)
&rst
ixpk= 719, nxpk= 12, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 438, 439, 440,
&end
#
# 0 AMB 12-2:721 39 THR HN 5.50 (# 721:12 Single Ambig)
&rst
ixpk= 721, nxpk= 12, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 623, 576,
&end
#
# 38 SER HN 39 THR HN 4.50 (# 722:12 Unique 2.42, 2.51 A)
&rst
ixpk= 722, nxpk= 12, iat= 591, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 GLY HN 39 THR HN 4.50 (# 723:12 Unique 2.53, 2.63 A)
&rst
ixpk= 723, nxpk= 12, iat= 616, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 THR HA 39 THR HN 4.50 (# 725:12 Unique 2.82, 2.82 A)
&rst
ixpk= 725, nxpk= 12, iat= 604, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 SER HA 39 THR HN 4.50 (# 726:12 Unique 3.55, 3.56 A)
&rst
ixpk= 726, nxpk= 12, iat= 593, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 LEU HA 65 GLY HN 5.50 (# 727:12 Unique 2.14, 2.57 A)
&rst
ixpk= 727, nxpk= 12, iat= 961, 978, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 12-2:728 39 THR HN 4.50 (# 728:12 Single Ambig)
&rst
ixpk= 728, nxpk= 12, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 595, 596, 595, 596, 561,
&end
#
# 65 GLY HA+ 65 GLY HN 4.50 (# 729:12 Unique 2.31, 2.73 A)
&rst
ixpk= 729, nxpk= 12, iat= -1, 978, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 980, 981,
&end
#
# 39 THR MG2 39 THR HN 4.50 (# 734:12 Unique 2.19, 3.27 A)
&rst
ixpk= 734, nxpk= 12, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 608, 609, 610,
&end
#
# 97 SER HA 98 GLY HN 4.50 (# 736:12 Unique 3.55, 3.55 A)
&rst
ixpk= 736, nxpk= 12, iat=1474,1483, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:737 98 GLY HN 3.50 (# 737:12 Single Ambig)
&rst
ixpk= 737, nxpk= 12, iat= -1,1483, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1485,1486,1419,
&end
#
# 0 AMB 12-2:744 78 GLY HN 5.50 (# 744:12 Single Ambig)
&rst
ixpk= 744, nxpk= 12, iat= -1,1154, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1161,1132,
&end
#
# 77 LYS HA 78 GLY HN 4.50 (# 746:12 Unique 2.16, 2.54 A)
&rst
ixpk= 746, nxpk= 12, iat=1134,1154, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 GLY HA- 78 GLY HN 4.50 (# 748:12 Unique 2.31, 2.72 A)
&rst
ixpk= 748, nxpk= 12, iat= -1,1154, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1156,1157,
&end
#
# 77 LYS HB+ 78 GLY HN 5.50 (# 749:12 Unique 1.95, 3.30 A)
&rst
ixpk= 749, nxpk= 12, iat= -1,1154, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1136,1137,
&end
#
# 40 GLY HN 41 GLY HN 4.50 (# 750:12 Unique 1.89, 2.16 A)
&rst
ixpk= 750, nxpk= 12, iat= 616, 623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 THR HN 41 GLY HN 5.50 (# 751:12 Unique 3.87, 4.01 A)
&rst
ixpk= 751, nxpk= 12, iat= 602, 623, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 ARG HN 41 GLY HN 4.50 (# 752:12 Unique 2.08, 2.57 A)
&rst
ixpk= 752, nxpk= 12, iat= 630, 623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 12-2:753 41 GLY HN 3.50 (# 753:12 Single Ambig)
&rst
ixpk= 753, nxpk= 12, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 625, 626, 618, 619,
&end
#
# 41 GLY HA- 41 GLY HN 3.50 (# 754:12 Unique 2.32, 2.69 A)
&rst
ixpk= 754, nxpk= 12, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 625, 626,
&end
#
# 36 MET HB- 41 GLY HN 5.50 (# 756:12 Unique 3.05, 4.10 A)
&rst
ixpk= 756, nxpk= 12, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 563, 564,
&end
#
# 89 LEU MDX 41 GLY HN 5.50 (# 757:12 Unique 2.35, 4.86 A)
&rst
ixpk= 757, nxpk= 12, iat= -1, 623, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 79 MET HB+ 79 MET HN 4.50 (# 758:12 Unique 2.19, 3.31 A)
&rst
ixpk= 758, nxpk= 12, iat= -1,1161, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1165,1166,
&end
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