NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
512094 |
2l92   |
17434 | cing | 1-original | 4 | AMBER | distance | NOE | ambi |
#
# 30 PRO HB- 30 PRO HA 2.20 (# 0:20 Unique 2.28, 2.64 A)
&rst
ixpk= 0, nxpk= 20, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 457, 458,
&end
#
# 30 PRO HG- 30 PRO HA 3.50 (# 1:20 Unique 2.74, 3.35 A)
&rst
ixpk= 1, nxpk= 20, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 454, 455,
&end
#
# 26 LEU HB+ 30 PRO HA 6.00 (# 2:20 Unique 4.19, 5.73 A)
&rst
ixpk= 2, nxpk= 20, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 402, 403,
&end
#
# 26 LEU HB- 30 PRO HA 8.00 (# 3:20 Unique 4.19, 5.73 A)
&rst
ixpk= 3, nxpk= 20, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 402, 403,
&end
#
# 10 PRO HG+ 10 PRO HA 3.50 (# 4:20 Unique 2.97, 3.94 A)
&rst
ixpk= 4, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 159, 160,
&end
#
# 10 PRO HB- 10 PRO HA 2.80 (# 5:20 Unique 2.29, 2.53 A)
&rst
ixpk= 5, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 162, 163,
&end
#
# 8 ARG HG- 10 PRO HA 6.00 (# 6:20 Unique 3.81, 4.93 A)
&rst
ixpk= 6, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 126, 127,
&end
#
# 5 PRO HB+ 5 PRO HA 2.20 (# 7:20 Unique 2.27, 2.53 A)
&rst
ixpk= 7, nxpk= 20, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 69, 70,
&end
#
# 0 AMB 20-2:8 5 PRO HA 6.00 (# 8:20 Single Ambig)
&rst
ixpk= 8, nxpk= 20, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 80, 81, 86, 87,
&end
#
# 5 PRO HB- 5 PRO HA 3.50 (# 9:20 Unique 2.27, 2.53 A)
&rst
ixpk= 9, nxpk= 20, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 69, 70,
&end
#
# 0 AMB 20-2:10 40 PRO HA 2.20 (# 10:20 Single Ambig)
&rst
ixpk= 10, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 611, 612, 566, 567,
&end
#
# 0 AMB 20-2:11 40 PRO HA 6.00 (# 11:20 Single Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 608, 609, 563, 564,
&end
#
# 0 AMB 20-2:12 40 PRO HA 2.20 (# 12:20 Single Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 611, 612, 566, 567,
&end
#
# 0 AMB 20-2:13 40 PRO HA 6.00 (# 13:20 Single Ambig)
&rst
ixpk= 13, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 634, 635, 636, 656, 657, 658, 660, 661, 662, 641,
642, 643,
&end
#
# 5 PRO HG+ 5 PRO HA 3.50 (# 14:20 Unique 2.84, 3.89 A)
&rst
ixpk= 14, nxpk= 20, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 66, 67,
&end
#
# 0 AMB 20-2:15 35 ILE HA 3.50 (# 15:20 Single Ambig)
&rst
ixpk= 15, nxpk= 20, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 527, 508, 509, 511,
&end
#
# 35 ILE HG1- 35 ILE HA 3.50 (# 16:20 Unique 2.58, 2.83 A)
&rst
ixpk= 16, nxpk= 20, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 533, 534,
&end
#
# 35 ILE HG1+ 35 ILE HA 3.50 (# 17:20 Unique 2.58, 2.83 A)
&rst
ixpk= 17, nxpk= 20, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 533, 534,
&end
#
# 35 ILE MG2 35 ILE HA 2.80 (# 18:20 Unique 2.39, 3.10 A)
&rst
ixpk= 18, nxpk= 20, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 529, 530, 531,
&end
#
# 0 AMB 20-2:19 0 AMB 20-1:19 6.00 (# 19:20 Double Ambig)
&rst
ixpk= 19, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 354, 355, 536, 537, 538, 402, 403,
igr2= 360, 525,
&end
#
# 23 PRO HB+ 23 PRO HA 2.20 (# 20:20 Unique 2.29, 2.58 A)
&rst
ixpk= 20, nxpk= 20, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 357, 358,
&end
#
# 23 PRO HB- 23 PRO HA 3.50 (# 21:20 Unique 2.29, 2.58 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 357, 358,
&end
#
# 3 THR MG2 3 THR HA 3.50 (# 22:20 Unique 2.46, 3.43 A)
&rst
ixpk= 22, nxpk= 20, iat= -1, 34, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 38, 39, 40,
&end
#
# 12 THR MG2 12 THR HA 2.20 (# 23:20 Unique 2.33, 3.03 A)
&rst
ixpk= 23, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 185, 186, 187,
&end
#
# 42 ILE HB 42 ILE HA 3.50 (# 24:20 Unique 2.38, 2.65 A)
&rst
ixpk= 24, nxpk= 20, iat= 632, 630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 ILE HG1- 42 ILE HA 6.00 (# 25:20 Unique 2.65, 3.52 A)
&rst
ixpk= 25, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 638, 639,
&end
#
# 42 ILE HG1+ 42 ILE HA 6.00 (# 26:20 Unique 2.65, 3.52 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 638, 639,
&end
#
# 0 AMB 20-2:27 42 ILE HA 2.80 (# 27:20 Single Ambig)
&rst
ixpk= 27, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 641, 642, 643, 634, 635, 636,
&end
#
# 0 AMB 20-2:28 4 VAL HA 2.80 (# 28:20 Single Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1, 48, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 50, 66, 67,
&end
#
# 0 AMB 20-2:29 4 VAL HA 2.20 (# 29:20 Single Ambig)
&rst
ixpk= 29, nxpk= 20, iat= -1, 48, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 52, 53, 54, 56, 57, 58, 52, 53, 54, 56,
57, 58,
&end
#
# 0 AMB 20-2:30 17 SER HA 6.00 (# 30:20 Single Ambig)
&rst
ixpk= 30, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 80, 81, 86, 87,
&end
#
# 14 LYS HB+ 14 LYS HA 2.80 (# 31:20 Unique 2.48, 2.79 A)
&rst
ixpk= 31, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 204, 205,
&end
#
# 0 AMB 20-2:32 14 LYS HA 2.20 (# 32:20 Single Ambig)
&rst
ixpk= 32, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 207, 208, 228, 229, 230,
&end
#
# 14 LYS HB- 14 LYS HA 6.00 (# 33:20 Unique 2.48, 2.79 A)
&rst
ixpk= 33, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 204, 205,
&end
#
# 6 LYS HB+ 6 LYS HA 2.20 (# 34:20 Unique 2.39, 2.72 A)
&rst
ixpk= 34, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 80, 81,
&end
#
# 6 LYS HG+ 6 LYS HA 3.50 (# 35:20 Unique 2.39, 2.80 A)
&rst
ixpk= 35, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 83, 84,
&end
#
# 6 LYS HG- 6 LYS HA 6.00 (# 36:20 Unique 2.39, 2.80 A)
&rst
ixpk= 36, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 35 ILE MD1 6 LYS HA 6.00 (# 37:20 Unique 2.84, 4.19 A)
&rst
ixpk= 37, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 536, 537, 538,
&end
#
# 44 GLU HG- 44 GLU HA 6.00 (# 38:20 Unique 2.49, 3.02 A)
&rst
ixpk= 38, nxpk= 20, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 673, 674,
&end
#
# 44 GLU HB+ 44 GLU HA 2.20 (# 39:20 Unique 2.38, 2.67 A)
&rst
ixpk= 39, nxpk= 20, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 670, 671,
&end
#
# 0 AMB 20-2:40 21 ARG HA 2.20 (# 40:20 Single Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 313, 314, 340, 341,
&end
#
# 0 AMB 20-2:41 21 ARG HA 2.80 (# 41:20 Single Ambig)
&rst
ixpk= 41, nxpk= 20, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 316, 317, 337, 338,
&end
#
# 0 AMB 20-2:42 34 LEU HA 2.20 (# 42:20 Single Ambig)
&rst
ixpk= 42, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 511, 508, 509,
&end
#
# 34 LEU MDX 34 LEU HA 3.50 (# 43:20 Unique 2.17, 3.96 A)
&rst
ixpk= 43, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 513, 514, 515, 517, 518, 519,
&end
#
# 34 LEU MDY 34 LEU HA 3.50 (# 44:20 Unique 2.17, 3.96 A)
&rst
ixpk= 44, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 513, 514, 515, 517, 518, 519,
&end
#
# 26 LEU HB- 26 LEU HA 6.00 (# 45:20 Unique 2.47, 2.84 A)
&rst
ixpk= 45, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 402, 403,
&end
#
# 26 LEU HB+ 26 LEU HA 3.50 (# 46:20 Unique 2.47, 2.84 A)
&rst
ixpk= 46, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 402, 403,
&end
#
# 43 LEU MDY 43 LEU HA 2.80 (# 47:20 Unique 2.20, 3.80 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 656, 657, 658, 660, 661, 662,
&end
#
# 19 ARG HB+ 19 ARG HA 3.50 (# 48:20 Unique 2.42, 2.72 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 282, 283,
&end
#
# 19 ARG HB- 19 ARG HA 6.00 (# 49:20 Unique 2.42, 2.72 A)
&rst
ixpk= 49, nxpk= 20, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 282, 283,
&end
#
# 19 ARG HG+ 19 ARG HA 6.00 (# 50:20 Unique 2.51, 3.28 A)
&rst
ixpk= 50, nxpk= 20, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 285, 286,
&end
#
# 34 LEU MDX 31 ALA HA 2.80 (# 51:20 Unique 2.31, 4.68 A)
&rst
ixpk= 51, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 513, 514, 515, 517, 518, 519,
&end
#
# 34 LEU MDY 31 ALA HA 6.00 (# 52:20 Unique 2.31, 4.68 A)
&rst
ixpk= 52, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 513, 514, 515, 517, 518, 519,
&end
#
# 11 ALA MB 11 ALA HA 2.20 (# 53:20 Unique 2.44, 2.66 A)
&rst
ixpk= 53, nxpk= 20, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 173, 174, 175,
&end
#
# 24 ALA MB 24 ALA HA 2.20 (# 54:20 Unique 2.45, 2.66 A)
&rst
ixpk= 54, nxpk= 20, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 368, 369, 370,
&end
#
# 32 ALA MB 32 ALA HA 2.20 (# 55:20 Unique 2.44, 2.66 A)
&rst
ixpk= 55, nxpk= 20, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 478, 479, 480,
&end
#
# 23 PRO HD+ 22 GLN HA 3.50 (# 56:20 Unique 2.09, 2.38 A)
&rst
ixpk= 56, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 351, 352,
&end
#
# 0 AMB 20-2:57 22 GLN HA 2.80 (# 57:20 Single Ambig)
&rst
ixpk= 57, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 351, 352, 340, 341, 337, 338,
&end
#
# 22 GLN HB+ 22 GLN HA 6.00 (# 58:20 Unique 2.40, 2.65 A)
&rst
ixpk= 58, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 337, 338,
&end
#
# 39 LEU HB+ 39 LEU HA 6.00 (# 59:20 Unique 2.25, 2.79 A)
&rst
ixpk= 59, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 589, 590,
&end
#
# 39 LEU MDY 39 LEU HA 6.00 (# 60:20 Unique 2.19, 3.95 A)
&rst
ixpk= 60, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 0 AMB 20-2:61 41 ALA HA 6.00 (# 61:20 Single Ambig)
&rst
ixpk= 61, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 611, 612, 632, 566, 567,
&end
#
# 41 ALA MB 41 ALA HA 2.20 (# 64:20 Unique 2.46, 2.67 A)
&rst
ixpk= 64, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 622, 623, 624,
&end
#
# 10 PRO HG- 10 PRO HD+ 3.50 (# 65:20 Unique 2.33, 2.61 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 159, 160,
igr2= 156, 157,
&end
#
# 10 PRO HG+ 10 PRO HD- 2.20 (# 66:20 Unique 2.33, 2.61 A)
&rst
ixpk= 66, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 159, 160,
igr2= 156, 157,
&end
#
# 5 PRO HB+ 5 PRO HD+ 6.00 (# 67:20 Unique 2.81, 3.68 A)
&rst
ixpk= 67, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 69, 70,
igr2= 63, 64,
&end
#
# 0 AMB 20-2:68 0 AMB 20-1:68 2.20 (# 68:20 Double Ambig)
&rst
ixpk= 68, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 50, 66, 67,
igr2= 63, 64, 63, 64,
&end
#
# 0 AMB 20-2:69 0 AMB 20-1:69 6.00 (# 69:20 Double Ambig)
&rst
ixpk= 69, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 52, 53, 54, 56, 57, 58, 52, 53, 54, 56,
57, 58,
igr2= 63, 64, 63, 64,
&end
#
# 37 PRO HB+ 37 PRO HD+ 6.00 (# 70:20 Unique 2.73, 3.67 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 566, 567,
igr2= 560, 561,
&end
#
# 37 PRO HG+ 37 PRO HD+ 2.20 (# 71:20 Unique 2.33, 2.61 A)
&rst
ixpk= 71, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 563, 564,
igr2= 560, 561,
&end
#
# 0 AMB 20-2:72 5 PRO HD- 3.50 (# 72:20 Single Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 52, 53, 54, 56, 57, 58, 52, 53, 54, 56,
57, 58,
igr2= 63, 64,
&end
#
# 37 PRO HB+ 37 PRO HD- 6.00 (# 73:20 Unique 2.73, 3.67 A)
&rst
ixpk= 73, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 566, 567,
igr2= 560, 561,
&end
#
# 37 PRO HG+ 37 PRO HD- 2.20 (# 74:20 Unique 2.33, 2.61 A)
&rst
ixpk= 74, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 563, 564,
igr2= 560, 561,
&end
#
# 40 PRO HB+ 40 PRO HD+ 6.00 (# 75:20 Unique 2.84, 3.68 A)
&rst
ixpk= 75, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 611, 612,
igr2= 605, 606,
&end
#
# 40 PRO HG+ 40 PRO HD+ 2.20 (# 76:20 Unique 2.33, 2.61 A)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 608, 609,
igr2= 605, 606,
&end
#
# 40 PRO HB- 40 PRO HD+ 6.00 (# 77:20 Unique 2.84, 3.68 A)
&rst
ixpk= 77, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 611, 612,
igr2= 605, 606,
&end
#
# 0 AMB 20-2:78 0 AMB 20-1:78 6.00 (# 78:20 Double Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 589, 590, 651, 652,
igr2= 605, 606, 605, 606,
&end
#
# 0 AMB 20-2:79 0 AMB 20-1:79 6.00 (# 79:20 Double Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1= 594, 595, 596, 598, 599, 600, 594, 595, 596, 598,
599, 600, 656, 657, 658, 660, 661, 662,
igr2= 605, 606, 605, 606, 605, 606,
&end
#
# 40 PRO HB+ 40 PRO HD- 6.00 (# 80:20 Unique 2.84, 3.68 A)
&rst
ixpk= 80, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 611, 612,
igr2= 605, 606,
&end
#
# 40 PRO HG+ 40 PRO HD- 2.20 (# 81:20 Unique 2.33, 2.61 A)
&rst
ixpk= 81, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 608, 609,
igr2= 605, 606,
&end
#
# 40 PRO HB- 40 PRO HD- 3.50 (# 82:20 Unique 2.84, 3.68 A)
&rst
ixpk= 82, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 611, 612,
igr2= 605, 606,
&end
#
# 0 AMB 20-2:83 40 PRO HD- 3.50 (# 83:20 Single Ambig)
&rst
ixpk= 83, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 589, 590, 651, 652,
igr2= 605, 606,
&end
#
# 0 AMB 20-2:84 40 PRO HD- 3.50 (# 84:20 Single Ambig)
&rst
ixpk= 84, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 594, 595, 596, 598, 599, 600, 594, 595, 596, 598,
599, 600, 656, 657, 658, 660, 661, 662,
igr2= 605, 606,
&end
#
# 30 PRO HG- 30 PRO HD+ 3.50 (# 85:20 Unique 2.32, 2.61 A)
&rst
ixpk= 85, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 454, 455,
igr2= 451, 452,
&end
#
# 30 PRO HG+ 30 PRO HD- 3.50 (# 86:20 Unique 2.32, 2.61 A)
&rst
ixpk= 86, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 454, 455,
igr2= 451, 452,
&end
#
# 30 PRO HB- 30 PRO HD- 3.50 (# 87:20 Unique 2.80, 3.69 A)
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 457, 458,
igr2= 451, 452,
&end
#
# 30 PRO HG- 30 PRO HD- 2.80 (# 88:20 Unique 2.32, 2.61 A)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 454, 455,
igr2= 451, 452,
&end
#
# 0 AMB 20-2:90 0 AMB 20-1:90 2.80 (# 90:20 Double Ambig)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 86, 87, 80, 81,
igr2= 273, 274, 273, 274,
&end
#
# 0 AMB 20-2:92 0 AMB 20-1:92 2.20 (# 92:20 Double Ambig)
&rst
ixpk= 92, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 123, 124, 282, 283, 313, 314,
igr2= 129, 130, 288, 289, 319, 320,
&end
#
# 0 AMB 20-2:93 0 AMB 20-1:93 2.20 (# 93:20 Double Ambig)
&rst
ixpk= 93, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 285, 286, 316, 317,
igr2= 288, 289, 319, 320,
&end
#
# 8 ARG HG+ 8 ARG HD+ 2.80 (# 94:20 Unique 2.37, 2.70 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 126, 127,
igr2= 129, 130,
&end
#
# 8 ARG HG- 8 ARG HD+ 3.50 (# 95:20 Unique 2.37, 2.70 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 126, 127,
igr2= 129, 130,
&end
#
# 0 AMB 20-2:96 8 ARG HD- 2.80 (# 96:20 Single Ambig)
&rst
ixpk= 96, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 123, 124, 123, 124,
igr2= 129, 130,
&end
#
# 8 ARG HG+ 8 ARG HD- 2.80 (# 97:20 Unique 2.37, 2.70 A)
&rst
ixpk= 97, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 126, 127,
igr2= 129, 130,
&end
#
# 8 ARG HG- 8 ARG HD- 3.50 (# 98:20 Unique 2.37, 2.70 A)
&rst
ixpk= 98, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 126, 127,
igr2= 129, 130,
&end
#
# 19 ARG HB+ 19 ARG HD+ 6.00 (# 99:20 Unique 2.38, 3.17 A)
&rst
ixpk= 99, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 282, 283,
igr2= 288, 289,
&end
#
# 0 AMB 20-2:100 0 AMB 20-1:100 2.80 (# 100:20 Double Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 204, 205, 210, 211,
igr2= 213, 214, 213, 214,
&end
#
# 14 LYS HG- 14 LYS HE+ 2.80 (# 101:20 Unique 2.43, 2.98 A)
&rst
ixpk= 101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 207, 208,
igr2= 213, 214,
&end
#
# 0 AMB 20-2:102 0 AMB 20-1:102 2.20 (# 102:20 Double Ambig)
&rst
ixpk= 102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 80, 81, 86, 87,
igr2= 89, 90, 89, 90,
&end
#
# 0 AMB 20-2:103 0 AMB 20-1:103 3.50 (# 103:20 Double Ambig)
&rst
ixpk= 103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 83, 84, 273, 274,
igr2= 89, 90, 89, 90,
&end
#
# 6 LYS HG- 6 LYS HE+ 3.50 (# 104:20 Unique 2.44, 3.05 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 83, 84,
igr2= 89, 90,
&end
#
# 34 LEU MDX 6 LYS HE+ 6.00 (# 105:20 Unique 2.60, 4.99 A)
&rst
ixpk= 105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 513, 514, 515, 517, 518, 519,
igr2= 89, 90,
&end
#
# 34 LEU MDY 6 LYS HE+ 6.00 (# 106:20 Unique 2.60, 4.99 A)
&rst
ixpk= 106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 513, 514, 515, 517, 518, 519,
igr2= 89, 90,
&end
#
# 32 ALA MB 29 ASP HB+ 6.00 (# 107:20 Unique 2.59, 4.93 A)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 478, 479, 480,
igr2= 442, 443,
&end
#
# 5 PRO HB+ 15 THR HB 3.50 (# 108:20 Unique 2.46, 2.87 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 69, 70,
&end
#
# 5 PRO HG+ 15 THR HB 6.00 (# 109:20 Unique 2.89, 4.18 A)
&rst
ixpk= 109, nxpk= 20, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 66, 67,
&end
#
# 5 PRO HB- 15 THR HB 3.50 (# 110:20 Unique 2.46, 2.87 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 69, 70,
&end
#
# 15 THR MG2 15 THR HB 2.20 (# 111:20 Unique 2.42, 2.64 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 228, 229, 230,
&end
#
# 14 LYS HG+ 12 THR HB 3.50 (# 112:20 Unique 2.85, 4.09 A)
&rst
ixpk= 112, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 207, 208,
&end
#
# 3 THR MG2 3 THR HB 2.20 (# 113:20 Unique 2.39, 2.66 A)
&rst
ixpk= 113, nxpk= 20, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 38, 39, 40,
&end
#
# 31 ALA HN 30 PRO HA 6.00 (# 114:20 Unique 3.37, 3.57 A)
&rst
ixpk= 114, nxpk= 20, iat= 464, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 ALA HN 30 PRO HA 6.00 (# 115:20 Unique 3.76, 4.03 A)
&rst
ixpk= 115, nxpk= 20, iat= 474, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 TRP HE3 30 PRO HA 6.00 (# 116:20 Unique 5.56, 5.95 A)
&rst
ixpk= 116, nxpk= 20, iat= 393, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 ALA HN 10 PRO HA 6.00 (# 117:20 Unique 3.50, 3.52 A)
&rst
ixpk= 117, nxpk= 20, iat= 169, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 ALA HN 40 PRO HA 2.20 (# 118:20 Unique 2.13, 2.23 A)
&rst
ixpk= 118, nxpk= 20, iat= 618, 614, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 6 LYS HN 5 PRO HA 2.20 (# 119:20 Unique 2.21, 2.26 A)
&rst
ixpk= 119, nxpk= 20, iat= 76, 72, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 7 TYR HN 5 PRO HA 6.00 (# 120:20 Unique 3.80, 3.99 A)
&rst
ixpk= 120, nxpk= 20, iat= 98, 72, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 GLN HN 35 ILE HA 2.20 (# 123:20 Unique 2.10, 2.14 A)
&rst
ixpk= 123, nxpk= 20, iat= 542, 525, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 35 ILE HN 35 ILE HA 6.00 (# 124:20 Unique 2.87, 2.93 A)
&rst
ixpk= 124, nxpk= 20, iat= 523, 525, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ALA HN 23 PRO HA 6.00 (# 125:20 Unique 2.28, 2.35 A)
&rst
ixpk= 125, nxpk= 20, iat= 364, 360, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 VAL HN 3 THR HA 2.80 (# 126:20 Unique 2.34, 2.41 A)
&rst
ixpk= 126, nxpk= 20, iat= 46, 34, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 THR HN 12 THR HA 6.00 (# 127:20 Unique 3.01, 3.01 A)
&rst
ixpk= 127, nxpk= 20, iat= 179, 181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:128 42 ILE HA 2.20 (# 128:20 Single Ambig)
&rst
ixpk= 128, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 647, 666,
&end
#
# 42 ILE HN 42 ILE HA 6.00 (# 129:20 Unique 2.26, 2.59 A)
&rst
ixpk= 129, nxpk= 20, iat= 628, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 VAL HN 4 VAL HA 6.00 (# 131:20 Unique 2.89, 2.96 A)
&rst
ixpk= 131, nxpk= 20, iat= 46, 48, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 LYS HN 17 SER HA 3.50 (# 132:20 Unique 1.99, 2.12 A)
&rst
ixpk= 132, nxpk= 20, iat= 76, 262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 THR HN 14 LYS HA 2.20 (# 133:20 Unique 2.24, 2.25 A)
&rst
ixpk= 133, nxpk= 20, iat= 222, 202, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 14 LYS HN 14 LYS HA 6.00 (# 134:20 Unique 2.85, 2.87 A)
&rst
ixpk= 134, nxpk= 20, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HN 6 LYS HA 3.50 (# 135:20 Unique 3.49, 3.52 A)
&rst
ixpk= 135, nxpk= 20, iat= 98, 78, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 LYS HN 6 LYS HA 3.50 (# 136:20 Unique 3.00, 3.01 A)
&rst
ixpk= 136, nxpk= 20, iat= 76, 78, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HN 25 TRP HA 3.50 (# 137:20 Unique 2.84, 2.88 A)
&rst
ixpk= 137, nxpk= 20, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HD1 25 TRP HA 6.00 (# 138:20 Unique 4.26, 4.33 A)
&rst
ixpk= 138, nxpk= 20, iat= 382, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:139 21 ARG HA 2.20 (# 139:20 Single Ambig)
&rst
ixpk= 139, nxpk= 20, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 333, 309,
&end
#
# 35 ILE HN 34 LEU HA 2.20 (# 140:20 Unique 2.16, 2.19 A)
&rst
ixpk= 140, nxpk= 20, iat= 523, 506, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 34 LEU HN 34 LEU HA 6.00 (# 141:20 Unique 2.82, 2.88 A)
&rst
ixpk= 141, nxpk= 20, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:142 34 LEU HA 3.50 (# 142:20 Single Ambig)
&rst
ixpk= 142, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 106, 115, 492, 500,
&end
#
# 0 AMB 20-2:143 26 LEU HA 6.00 (# 143:20 Single Ambig)
&rst
ixpk= 143, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 393, 433, 434,
&end
#
# 27 GLY HN 26 LEU HA 6.00 (# 144:20 Unique 2.54, 3.39 A)
&rst
ixpk= 144, nxpk= 20, iat= 417, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 TRP HH2 26 LEU HA 6.00 (# 145:20 Unique 5.39, 5.94 A)
&rst
ixpk= 145, nxpk= 20, iat= 389, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:146 43 LEU HA 2.80 (# 146:20 Single Ambig)
&rst
ixpk= 146, nxpk= 20, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 666, 647,
&end
#
# 20 GLY HN 19 ARG HA 3.50 (# 148:20 Unique 2.16, 2.25 A)
&rst
ixpk= 148, nxpk= 20, iat= 302, 280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 PHE HE 31 ALA HA 6.00 (# 149:20 Unique 5.11, 7.08 A)
&rst
ixpk= 149, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 494, 498,
&end
#
# 31 ALA HN 31 ALA HA 2.80 (# 150:20 Unique 2.78, 2.83 A)
&rst
ixpk= 150, nxpk= 20, iat= 464, 466, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 ALA HN 31 ALA HA 6.00 (# 151:20 Unique 3.48, 3.52 A)
&rst
ixpk= 151, nxpk= 20, iat= 474, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE HN 32 ALA HA 6.00 (# 152:20 Unique 3.48, 3.51 A)
&rst
ixpk= 152, nxpk= 20, iat= 484, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 ALA HN 32 ALA HA 3.50 (# 153:20 Unique 2.80, 2.86 A)
&rst
ixpk= 153, nxpk= 20, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 ILE HN 41 ALA HA 2.80 (# 154:20 Unique 2.23, 2.54 A)
&rst
ixpk= 154, nxpk= 20, iat= 628, 620, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 ALA HN 41 ALA HA 3.50 (# 158:20 Unique 2.85, 2.93 A)
&rst
ixpk= 158, nxpk= 20, iat= 618, 620, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HE3 10 PRO HD+ 6.00 (# 159:20 Unique 4.67, 5.18 A)
&rst
ixpk= 159, nxpk= 20, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 156, 157,
&end
#
# 11 ALA HN 10 PRO HD- 3.50 (# 160:20 Unique 2.71, 3.44 A)
&rst
ixpk= 160, nxpk= 20, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 156, 157,
&end
#
# 25 TRP HE3 10 PRO HD- 6.00 (# 161:20 Unique 4.67, 5.18 A)
&rst
ixpk= 161, nxpk= 20, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 156, 157,
&end
#
# 31 ALA HN 30 PRO HD+ 6.00 (# 162:20 Unique 3.06, 3.80 A)
&rst
ixpk= 162, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 451, 452,
&end
#
# 29 ASP HN 30 PRO HD- 6.00 (# 163:20 Unique 2.99, 3.83 A)
&rst
ixpk= 163, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 451, 452,
&end
#
# 28 ASN HN 27 GLY HA+ 3.50 (# 164:20 Unique 2.16, 3.04 A)
&rst
ixpk= 164, nxpk= 20, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 419, 420,
&end
#
# 27 GLY HN 27 GLY HA+ 3.50 (# 165:20 Unique 2.26, 2.59 A)
&rst
ixpk= 165, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 419, 420,
&end
#
# 28 ASN HN 27 GLY HA- 6.00 (# 166:20 Unique 2.16, 3.04 A)
&rst
ixpk= 166, nxpk= 20, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 419, 420,
&end
#
# 27 GLY HN 27 GLY HA- 2.80 (# 167:20 Unique 2.26, 2.59 A)
&rst
ixpk= 167, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 419, 420,
&end
#
# 13 GLY HN 13 GLY HA+ 3.50 (# 168:20 Unique 2.30, 2.63 A)
&rst
ixpk= 168, nxpk= 20, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 195, 196,
&end
#
# 13 GLY HN 13 GLY HA- 2.80 (# 169:20 Unique 2.30, 2.63 A)
&rst
ixpk= 169, nxpk= 20, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 195, 196,
&end
#
# 20 GLY HN 20 GLY HA+ 6.00 (# 170:20 Unique 2.28, 2.61 A)
&rst
ixpk= 170, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 304, 305,
&end
#
# 21 ARG HN 20 GLY HA+ 2.80 (# 171:20 Unique 2.37, 2.60 A)
&rst
ixpk= 171, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 304, 305,
&end
#
# 20 GLY HN 20 GLY HA- 3.50 (# 172:20 Unique 2.28, 2.61 A)
&rst
ixpk= 172, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 304, 305,
&end
#
# 21 ARG HN 20 GLY HA- 3.50 (# 173:20 Unique 2.37, 2.60 A)
&rst
ixpk= 173, nxpk= 20, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 304, 305,
&end
#
# 16 TRP HH2 18 GLY HA+ 3.50 (# 174:20 Unique 2.54, 3.49 A)
&rst
ixpk= 174, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 273, 274,
&end
#
# 34 LEU HN 34 LEU HB+ 3.50 (# 175:20 Unique 2.02, 2.62 A)
&rst
ixpk= 175, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 508, 509,
&end
#
# 34 LEU HN 34 LEU HB- 3.50 (# 176:20 Unique 2.02, 2.62 A)
&rst
ixpk= 176, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 508, 509,
&end
#
# 7 TYR HN 7 TYR HB+ 6.00 (# 177:20 Unique 2.69, 3.28 A)
&rst
ixpk= 177, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 0 AMB 20-2:178 0 AMB 20-1:178 3.50 (# 178:20 Double Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 492, 500, 106, 115, 255,
igr2= 102, 103, 102, 103, 102, 103,
&end
#
# 0 AMB 20-2:179 7 TYR HB- 3.50 (# 179:20 Single Ambig)
&rst
ixpk= 179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 492, 500, 106, 115, 255,
igr2= 102, 103,
&end
#
# 0 AMB 20-2:180 0 AMB 20-1:180 6.00 (# 180:20 Double Ambig)
&rst
ixpk= 180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 647, 666,
igr2= 651, 652, 651, 652,
&end
#
# 0 AMB 20-2:181 43 LEU HB- 6.00 (# 181:20 Single Ambig)
&rst
ixpk= 181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 647, 666,
igr2= 651, 652,
&end
#
# 39 LEU HN 39 LEU HB+ 2.80 (# 182:20 Unique 2.66, 3.14 A)
&rst
ixpk= 182, nxpk= 20, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 589, 590,
&end
#
# 9 ASP HN 9 ASP HB- 6.00 (# 183:20 Unique 2.26, 2.46 A)
&rst
ixpk= 183, nxpk= 20, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 147, 148,
&end
#
# 9 ASP HN 9 ASP HB+ 3.50 (# 184:20 Unique 2.26, 2.46 A)
&rst
ixpk= 184, nxpk= 20, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 147, 148,
&end
#
# 29 ASP HN 29 ASP HB+ 3.50 (# 185:20 Unique 2.81, 3.19 A)
&rst
ixpk= 185, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 442, 443,
&end
#
# 38 ASP HN 38 ASP HB+ 8.00 (# 186:20 Unique 2.29, 2.81 A)
&rst
ixpk= 186, nxpk= 20, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 577, 578,
&end
#
# 39 LEU HN 38 ASP HB+ 6.00 (# 187:20 Unique 2.86, 3.94 A)
&rst
ixpk= 187, nxpk= 20, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 577, 578,
&end
#
# 38 ASP HN 38 ASP HB- 6.00 (# 188:20 Unique 2.29, 2.81 A)
&rst
ixpk= 188, nxpk= 20, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 577, 578,
&end
#
# 29 ASP HN 29 ASP HB- 6.00 (# 189:20 Unique 2.81, 3.19 A)
&rst
ixpk= 189, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 442, 443,
&end
#
# 33 PHE HN 33 PHE HB- 6.00 (# 190:20 Unique 3.23, 3.56 A)
&rst
ixpk= 190, nxpk= 20, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 25 TRP HE3 33 PHE HB- 6.00 (# 191:20 Unique 3.50, 4.32 A)
&rst
ixpk= 191, nxpk= 20, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 0 AMB 20-2:192 33 PHE HB- 3.50 (# 192:20 Single Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 492, 500, 106, 115,
igr2= 488, 489,
&end
#
# 28 ASN HN 28 ASN HB+ 6.00 (# 193:20 Unique 2.44, 3.16 A)
&rst
ixpk= 193, nxpk= 20, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 428, 429,
&end
#
# 28 ASN HN 28 ASN HB- 6.00 (# 194:20 Unique 2.44, 3.16 A)
&rst
ixpk= 194, nxpk= 20, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 428, 429,
&end
#
# 28 ASN HD2+ 28 ASN HB- 6.00 (# 195:20 Unique 2.22, 3.25 A)
&rst
ixpk= 195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 433, 434,
igr2= 428, 429,
&end
#
# 42 ILE HN 42 ILE HB 6.00 (# 196:20 Unique 2.61, 3.07 A)
&rst
ixpk= 196, nxpk= 20, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 GLN HN 35 ILE HB 6.00 (# 197:20 Unique 4.14, 4.29 A)
&rst
ixpk= 197, nxpk= 20, iat= 542, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 ILE HN 35 ILE HB 3.50 (# 198:20 Unique 2.44, 2.53 A)
&rst
ixpk= 198, nxpk= 20, iat= 523, 527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 TYR HN 6 LYS HB+ 6.00 (# 199:20 Unique 2.93, 3.60 A)
&rst
ixpk= 199, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 80, 81,
&end
#
# 6 LYS HN 6 LYS HB+ 3.50 (# 200:20 Unique 2.58, 2.96 A)
&rst
ixpk= 200, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 80, 81,
&end
#
# 7 TYR HD 6 LYS HB+ 6.00 (# 201:20 Unique 2.27, 4.83 A)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 106, 115,
igr2= 80, 81,
&end
#
# 36 GLN HN 36 GLN HG+ 6.00 (# 202:20 Unique 2.25, 3.35 A)
&rst
ixpk= 202, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 549, 550,
&end
#
# 0 AMB 20-2:203 0 AMB 20-1:203 3.50 (# 203:20 Double Ambig)
&rst
ixpk= 203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 345, 346, 249,
igr2= 340, 341, 340, 341,
&end
#
# 36 GLN HE2+ 36 GLN HG+ 6.00 (# 204:20 Unique 2.26, 3.34 A)
&rst
ixpk= 204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 554, 555,
igr2= 549, 550,
&end
#
# 14 LYS HN 14 LYS HB+ 6.00 (# 205:20 Unique 2.35, 3.00 A)
&rst
ixpk= 205, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 204, 205,
&end
#
# 15 THR HN 14 LYS HB+ 6.00 (# 206:20 Unique 2.81, 3.44 A)
&rst
ixpk= 206, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 204, 205,
&end
#
# 4 VAL HN 4 VAL HB 6.00 (# 207:20 Unique 3.64, 3.86 A)
&rst
ixpk= 207, nxpk= 20, iat= 46, 50, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:208 0 AMB 20-1:208 3.50 (# 208:20 Double Ambig)
&rst
ixpk= 208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 255, 387, 106, 115,
igr2= 240, 241, 240, 241, 240, 241,
&end
#
# 0 AMB 20-2:209 0 AMB 20-1:209 6.00 (# 209:20 Double Ambig)
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 253, 108, 113,
igr2= 240, 241, 240, 241,
&end
#
# 0 AMB 20-2:210 16 TRP HB- 3.50 (# 210:20 Single Ambig)
&rst
ixpk= 210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 255, 387, 106, 115,
igr2= 240, 241,
&end
#
# 0 AMB 20-2:211 16 TRP HB- 6.00 (# 211:20 Single Ambig)
&rst
ixpk= 211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 253, 108, 113,
igr2= 240, 241,
&end
#
# 38 ASP HN 37 PRO HB+ 6.00 (# 212:20 Unique 3.20, 4.16 A)
&rst
ixpk= 212, nxpk= 20, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 566, 567,
&end
#
# 11 ALA HN 10 PRO HB- 6.00 (# 213:20 Unique 3.05, 4.07 A)
&rst
ixpk= 213, nxpk= 20, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 162, 163,
&end
#
# 25 TRP HD1 23 PRO HB+ 6.00 (# 214:20 Unique 2.87, 3.81 A)
&rst
ixpk= 214, nxpk= 20, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 357, 358,
&end
#
# 38 ASP HN 37 PRO HB- 6.00 (# 215:20 Unique 3.20, 4.16 A)
&rst
ixpk= 215, nxpk= 20, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 566, 567,
&end
#
# 33 PHE HE 30 PRO HB+ 6.00 (# 216:20 Unique 2.72, 5.93 A)
&rst
ixpk= 216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 494, 498,
igr2= 457, 458,
&end
#
# 33 PHE HE 30 PRO HB- 6.00 (# 217:20 Unique 2.72, 5.93 A)
&rst
ixpk= 217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 494, 498,
igr2= 457, 458,
&end
#
# 19 ARG HN 19 ARG HB- 6.00 (# 218:20 Unique 2.45, 3.10 A)
&rst
ixpk= 218, nxpk= 20, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 282, 283,
&end
#
# 0 AMB 20-2:220 0 AMB 20-1:220 2.80 (# 220:20 Double Ambig)
&rst
ixpk= 220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 309, 333,
igr2= 313, 314, 313, 314,
&end
#
# 22 GLN HN 22 GLN HB+ 3.50 (# 223:20 Unique 2.32, 2.88 A)
&rst
ixpk= 223, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 337, 338,
&end
#
# 16 TRP HH2 22 GLN HB+ 6.00 (# 224:20 Unique 3.07, 4.79 A)
&rst
ixpk= 224, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:225 0 AMB 20-1:225 6.00 (# 225:20 Double Ambig)
&rst
ixpk= 225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 249, 345, 346,
igr2= 337, 338, 337, 338,
&end
#
# 22 GLN HN 22 GLN HB- 3.50 (# 226:20 Unique 2.32, 2.88 A)
&rst
ixpk= 226, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 337, 338,
&end
#
# 36 GLN HN 36 GLN HB+ 6.00 (# 227:20 Unique 2.38, 3.35 A)
&rst
ixpk= 227, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 36 GLN HN 36 GLN HB- 3.50 (# 228:20 Unique 2.38, 3.35 A)
&rst
ixpk= 228, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 546, 547,
&end
#
# 35 ILE HN 35 ILE HG1- 3.50 (# 229:20 Unique 2.12, 2.99 A)
&rst
ixpk= 229, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 533, 534,
&end
#
# 35 ILE HN 35 ILE HG1+ 6.00 (# 230:20 Unique 2.12, 2.99 A)
&rst
ixpk= 230, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 25 TRP HD1 25 TRP HB+ 6.00 (# 231:20 Unique 2.55, 3.18 A)
&rst
ixpk= 231, nxpk= 20, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 378, 379,
&end
#
# 25 TRP HH2 25 TRP HB+ 6.00 (# 232:20 Unique 6.41, 6.88 A)
&rst
ixpk= 232, nxpk= 20, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 378, 379,
&end
#
# 25 TRP HD1 25 TRP HB- 3.50 (# 233:20 Unique 2.55, 3.18 A)
&rst
ixpk= 233, nxpk= 20, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 378, 379,
&end
#
# 0 AMB 20-2:234 25 TRP HB- 6.00 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 492, 500,
igr2= 378, 379,
&end
#
# 42 ILE HN 42 ILE HG1- 6.00 (# 235:20 Unique 2.32, 3.90 A)
&rst
ixpk= 235, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 638, 639,
&end
#
# 42 ILE HN 42 ILE HG1+ 6.00 (# 236:20 Unique 2.32, 3.90 A)
&rst
ixpk= 236, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 638, 639,
&end
#
# 11 ALA HN 10 PRO HG+ 6.00 (# 237:20 Unique 2.73, 3.58 A)
&rst
ixpk= 237, nxpk= 20, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 159, 160,
&end
#
# 0 AMB 20-2:238 0 AMB 20-1:238 6.00 (# 238:20 Double Ambig)
&rst
ixpk= 238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 169, 464,
igr2= 159, 160, 454, 455,
&end
#
# 34 LEU HN 34 LEU HG 6.00 (# 239:20 Unique 2.92, 3.78 A)
&rst
ixpk= 239, nxpk= 20, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ASP HN 8 ARG HG+ 6.00 (# 240:20 Unique 3.13, 3.37 A)
&rst
ixpk= 240, nxpk= 20, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 126, 127,
&end
#
# 0 AMB 20-2:241 21 ARG HG- 6.00 (# 241:20 Single Ambig)
&rst
ixpk= 241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 309, 333,
igr2= 316, 317,
&end
#
# 0 AMB 20-2:242 43 LEU HG 6.00 (# 242:20 Single Ambig)
&rst
ixpk= 242, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 647, 666,
&end
#
# 0 AMB 20-2:243 0 AMB 20-1:243 6.00 (# 243:20 Double Ambig)
&rst
ixpk= 243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 309, 333,
igr2= 316, 317, 316, 317,
&end
#
# 19 ARG HN 19 ARG HG+ 6.00 (# 244:20 Unique 2.26, 3.89 A)
&rst
ixpk= 244, nxpk= 20, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 285, 286,
&end
#
# 0 AMB 20-2:245 39 LEU HG 6.00 (# 245:20 Single Ambig)
&rst
ixpk= 245, nxpk= 20, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 585, 628,
&end
#
# 14 LYS HN 14 LYS HG+ 6.00 (# 246:20 Unique 2.19, 2.92 A)
&rst
ixpk= 246, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 207, 208,
&end
#
# 9 ASP HN 15 THR MG2 6.00 (# 247:20 Unique 4.23, 5.15 A)
&rst
ixpk= 247, nxpk= 20, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 228, 229, 230,
&end
#
# 15 THR HN 15 THR MG2 6.00 (# 248:20 Unique 2.98, 3.95 A)
&rst
ixpk= 248, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 228, 229, 230,
&end
#
# 16 TRP HN 15 THR HB 3.50 (# 249:20 Unique 2.49, 2.55 A)
&rst
ixpk= 249, nxpk= 20, iat= 236, 226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 TRP HN 15 THR MG2 6.00 (# 250:20 Unique 3.68, 4.42 A)
&rst
ixpk= 250, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 228, 229, 230,
&end
#
# 12 THR HN 12 THR MG2 3.50 (# 251:20 Unique 2.90, 3.70 A)
&rst
ixpk= 251, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 185, 186, 187,
&end
#
# 4 VAL HN 4 VAL MGX 6.00 (# 252:20 Unique 2.02, 3.60 A)
&rst
ixpk= 252, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 4 VAL HN 4 VAL MGY 3.50 (# 253:20 Unique 2.02, 3.60 A)
&rst
ixpk= 253, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 11 ALA HN 11 ALA MB 2.20 (# 254:20 Unique 2.43, 2.85 A)
&rst
ixpk= 254, nxpk= 20, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 173, 174, 175,
&end
#
# 12 THR HN 11 ALA MB 6.00 (# 255:20 Unique 2.64, 3.55 A)
&rst
ixpk= 255, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 173, 174, 175,
&end
#
# 41 ALA HN 41 ALA MB 2.80 (# 256:20 Unique 2.47, 3.14 A)
&rst
ixpk= 256, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 622, 623, 624,
&end
#
# 42 ILE HN 41 ALA MB 6.00 (# 257:20 Unique 2.29, 3.78 A)
&rst
ixpk= 257, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 622, 623, 624,
&end
#
# 32 ALA HN 31 ALA MB 6.00 (# 259:20 Unique 3.00, 3.86 A)
&rst
ixpk= 259, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 468, 469, 470,
&end
#
# 31 ALA HN 31 ALA MB 2.20 (# 260:20 Unique 2.41, 2.84 A)
&rst
ixpk= 260, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 468, 469, 470,
&end
#
# 33 PHE HE 31 ALA MB 6.00 (# 261:20 Unique 6.27, 8.21 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 494, 498,
igr2= 468, 469, 470,
&end
#
# 24 ALA HN 24 ALA MB 6.00 (# 262:20 Unique 2.41, 2.84 A)
&rst
ixpk= 262, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 368, 369, 370,
&end
#
# 25 TRP HN 24 ALA MB 6.00 (# 263:20 Unique 2.69, 3.56 A)
&rst
ixpk= 263, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 368, 369, 370,
&end
#
# 33 PHE HN 32 ALA MB 6.00 (# 264:20 Unique 2.83, 3.70 A)
&rst
ixpk= 264, nxpk= 20, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 478, 479, 480,
&end
#
# 32 ALA HN 32 ALA MB 2.20 (# 265:20 Unique 2.42, 2.84 A)
&rst
ixpk= 265, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 478, 479, 480,
&end
#
# 0 AMB 20-2:266 32 ALA MB 6.00 (# 266:20 Single Ambig)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 433, 434, 393, 554, 555,
igr2= 478, 479, 480,
&end
#
# 4 VAL HN 3 THR HB 6.00 (# 267:20 Unique 2.22, 2.81 A)
&rst
ixpk= 267, nxpk= 20, iat= 46, 36, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 ILE HA 35 ILE MD1 6.00 (# 268:20 Unique 4.50, 4.70 A)
&rst
ixpk= 268, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 536, 537, 538,
&end
#
# 6 LYS HA 35 ILE MD1 6.00 (# 269:20 Unique 2.84, 4.19 A)
&rst
ixpk= 269, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 536, 537, 538,
&end
#
# 42 ILE HA 42 ILE MD1 6.00 (# 270:20 Unique 2.22, 3.59 A)
&rst
ixpk= 270, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 641, 642, 643,
&end
#
# 31 ALA HA 34 LEU HB+ 6.00 (# 271:20 Unique 2.32, 2.96 A)
&rst
ixpk= 271, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 508, 509,
&end
#
# 34 LEU HA 34 LEU HB+ 3.50 (# 272:20 Unique 2.57, 2.84 A)
&rst
ixpk= 272, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 508, 509,
&end
#
# 34 LEU HA 34 LEU HB- 3.50 (# 273:20 Unique 2.57, 2.84 A)
&rst
ixpk= 273, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 508, 509,
&end
#
# 43 LEU HA 43 LEU HB+ 3.50 (# 274:20 Unique 2.47, 2.78 A)
&rst
ixpk= 274, nxpk= 20, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 651, 652,
&end
#
# 0 AMB 20-2:275 0 AMB 20-1:275 6.00 (# 275:20 Double Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 183, 202,
igr2= 213, 214, 213, 214,
&end
#
# 43 LEU HA 43 LEU HB- 3.50 (# 276:20 Unique 2.47, 2.78 A)
&rst
ixpk= 276, nxpk= 20, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 651, 652,
&end
#
# 40 PRO HD- 39 LEU HB+ 6.00 (# 277:20 Unique 2.27, 3.94 A)
&rst
ixpk= 277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 605, 606,
igr2= 589, 590,
&end
#
# 39 LEU HA 39 LEU HB+ 2.80 (# 278:20 Unique 2.25, 2.79 A)
&rst
ixpk= 278, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 589, 590,
&end
#
# 40 PRO HD+ 39 LEU HB+ 8.00 (# 279:20 Unique 2.27, 3.94 A)
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 605, 606,
igr2= 589, 590,
&end
#
# 30 PRO HA 26 LEU HB+ 8.00 (# 280:20 Unique 4.19, 5.73 A)
&rst
ixpk= 280, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 402, 403,
&end
#
# 26 LEU HA 26 LEU HB+ 6.00 (# 281:20 Unique 2.47, 2.84 A)
&rst
ixpk= 281, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 402, 403,
&end
#
# 26 LEU HA 26 LEU HB- 6.00 (# 282:20 Unique 2.47, 2.84 A)
&rst
ixpk= 282, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 402, 403,
&end
#
# 9 ASP HA 9 ASP HB- 3.50 (# 283:20 Unique 2.37, 2.71 A)
&rst
ixpk= 283, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 147, 148,
&end
#
# 9 ASP HA 9 ASP HB+ 6.00 (# 284:20 Unique 2.37, 2.71 A)
&rst
ixpk= 284, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 147, 148,
&end
#
# 29 ASP HA 29 ASP HB+ 3.50 (# 285:20 Unique 2.42, 2.74 A)
&rst
ixpk= 285, nxpk= 20, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 442, 443,
&end
#
# 38 ASP HA 38 ASP HB+ 2.80 (# 286:20 Unique 2.33, 2.75 A)
&rst
ixpk= 286, nxpk= 20, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 577, 578,
&end
#
# 38 ASP HA 38 ASP HB- 3.50 (# 287:20 Unique 2.33, 2.75 A)
&rst
ixpk= 287, nxpk= 20, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 577, 578,
&end
#
# 29 ASP HA 29 ASP HB- 2.80 (# 288:20 Unique 2.42, 2.74 A)
&rst
ixpk= 288, nxpk= 20, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 442, 443,
&end
#
# 28 ASN HA 28 ASN HB+ 2.80 (# 289:20 Unique 2.33, 2.65 A)
&rst
ixpk= 289, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 428, 429,
&end
#
# 28 ASN HA 28 ASN HB- 2.80 (# 290:20 Unique 2.33, 2.65 A)
&rst
ixpk= 290, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 428, 429,
&end
#
# 42 ILE HA 42 ILE HB 3.50 (# 291:20 Unique 2.38, 2.65 A)
&rst
ixpk= 291, nxpk= 20, iat= 630, 632, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 ILE HA 35 ILE HB 6.00 (# 292:20 Unique 3.04, 3.05 A)
&rst
ixpk= 292, nxpk= 20, iat= 525, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:294 0 AMB 20-1:294 2.20 (# 294:20 Double Ambig)
&rst
ixpk= 294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 262, 78,
igr2= 80, 81, 80, 81,
&end
#
# 8 ARG HA 8 ARG HB+ 6.00 (# 295:20 Unique 2.44, 2.77 A)
&rst
ixpk= 295, nxpk= 20, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 123, 124,
&end
#
# 8 ARG HA 8 ARG HB- 6.00 (# 296:20 Unique 2.44, 2.77 A)
&rst
ixpk= 296, nxpk= 20, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 123, 124,
&end
#
# 0 AMB 20-2:297 0 AMB 20-1:297 6.00 (# 297:20 Double Ambig)
&rst
ixpk= 297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 560, 561, 560, 561,
igr2= 549, 550, 549, 550,
&end
#
# 36 GLN HA 36 GLN HG+ 3.50 (# 298:20 Unique 2.49, 3.23 A)
&rst
ixpk= 298, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 549, 550,
&end
#
# 14 LYS HA 14 LYS HB+ 3.50 (# 299:20 Unique 2.48, 2.79 A)
&rst
ixpk= 299, nxpk= 20, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 204, 205,
&end
#
# 5 PRO HD- 4 VAL HB 3.50 (# 300:20 Unique 2.18, 2.94 A)
&rst
ixpk= 300, nxpk= 20, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 63, 64,
&end
#
# 4 VAL HA 4 VAL HB 2.80 (# 301:20 Unique 2.50, 2.51 A)
&rst
ixpk= 301, nxpk= 20, iat= 48, 50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 PRO HD+ 4 VAL HB 6.00 (# 302:20 Unique 2.18, 2.94 A)
&rst
ixpk= 302, nxpk= 20, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 63, 64,
&end
#
# 10 PRO HD+ 10 PRO HB+ 6.00 (# 303:20 Unique 2.80, 3.67 A)
&rst
ixpk= 303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 156, 157,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:304 0 AMB 20-1:304 2.20 (# 304:20 Double Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 165, 156, 157,
igr2= 162, 163, 162, 163,
&end
#
# 37 PRO HD+ 37 PRO HB+ 3.50 (# 305:20 Unique 2.73, 3.67 A)
&rst
ixpk= 305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 560, 561,
igr2= 566, 567,
&end
#
# 0 AMB 20-2:306 0 AMB 20-1:306 6.00 (# 306:20 Double Ambig)
&rst
ixpk= 306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 63, 64, 264, 265,
igr2= 69, 70, 69, 70,
&end
#
# 0 AMB 20-2:307 0 AMB 20-1:307 3.50 (# 307:20 Double Ambig)
&rst
ixpk= 307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 226, 262,
igr2= 69, 70, 69, 70,
&end
#
# 5 PRO HA 5 PRO HB+ 2.80 (# 308:20 Unique 2.27, 2.53 A)
&rst
ixpk= 308, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 69, 70,
&end
#
# 0 AMB 20-2:309 10 PRO HB- 2.20 (# 309:20 Single Ambig)
&rst
ixpk= 309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 165, 156, 157,
igr2= 162, 163,
&end
#
# 23 PRO HA 23 PRO HB+ 2.80 (# 310:20 Unique 2.29, 2.58 A)
&rst
ixpk= 310, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 357, 358,
&end
#
# 0 AMB 20-2:311 5 PRO HB- 3.50 (# 311:20 Single Ambig)
&rst
ixpk= 311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 226, 262,
igr2= 69, 70,
&end
#
# 5 PRO HA 5 PRO HB- 6.00 (# 312:20 Unique 2.27, 2.53 A)
&rst
ixpk= 312, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 0 AMB 20-2:313 5 PRO HB- 6.00 (# 313:20 Single Ambig)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 63, 64, 264, 265,
igr2= 69, 70,
&end
#
# 5 PRO HD- 5 PRO HB- 6.00 (# 314:20 Unique 2.81, 3.68 A)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 63, 64,
igr2= 69, 70,
&end
#
# 23 PRO HA 23 PRO HB- 6.00 (# 315:20 Unique 2.29, 2.58 A)
&rst
ixpk= 315, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 357, 358,
&end
#
# 40 PRO HA 0 AMB 20-1:316 2.20 (# 316:20 Single Ambig)
&rst
ixpk= 316, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr2= 611, 612, 566, 567,
&end
#
# 41 ALA HA 0 AMB 20-1:317 6.00 (# 317:20 Single Ambig)
&rst
ixpk= 317, nxpk= 20, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 611, 612, 566, 567,
&end
#
# 40 PRO HA 0 AMB 20-1:318 2.80 (# 318:20 Single Ambig)
&rst
ixpk= 318, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 611, 612, 566, 567,
&end
#
# 40 PRO HD+ 40 PRO HB- 6.00 (# 319:20 Unique 2.84, 3.68 A)
&rst
ixpk= 319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 605, 606,
igr2= 611, 612,
&end
#
# 40 PRO HD- 40 PRO HB- 3.50 (# 320:20 Unique 2.84, 3.68 A)
&rst
ixpk= 320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 605, 606,
igr2= 611, 612,
&end
#
# 30 PRO HA 30 PRO HB+ 2.20 (# 321:20 Unique 2.28, 2.64 A)
&rst
ixpk= 321, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 457, 458,
&end
#
# 30 PRO HD+ 30 PRO HB+ 6.00 (# 322:20 Unique 2.80, 3.69 A)
&rst
ixpk= 322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2= 457, 458,
&end
#
# 30 PRO HD- 30 PRO HB+ 6.00 (# 323:20 Unique 2.80, 3.69 A)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2= 457, 458,
&end
#
# 30 PRO HA 30 PRO HB- 2.20 (# 324:20 Unique 2.28, 2.64 A)
&rst
ixpk= 324, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 457, 458,
&end
#
# 30 PRO HD+ 30 PRO HB- 6.00 (# 325:20 Unique 2.80, 3.69 A)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2= 457, 458,
&end
#
# 19 ARG HA 19 ARG HB+ 3.50 (# 326:20 Unique 2.42, 2.72 A)
&rst
ixpk= 326, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 282, 283,
&end
#
# 19 ARG HA 19 ARG HB- 6.00 (# 327:20 Unique 2.42, 2.72 A)
&rst
ixpk= 327, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 282, 283,
&end
#
# 21 ARG HA 21 ARG HB+ 2.80 (# 329:20 Unique 2.36, 2.71 A)
&rst
ixpk= 329, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 313, 314,
&end
#
# 36 GLN HA 36 GLN HB+ 3.50 (# 330:20 Unique 2.39, 2.66 A)
&rst
ixpk= 330, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 546, 547,
&end
#
# 37 PRO HD- 36 GLN HB+ 3.50 (# 331:20 Unique 2.20, 3.56 A)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 560, 561,
igr2= 546, 547,
&end
#
# 36 GLN HA 36 GLN HB- 3.50 (# 332:20 Unique 2.39, 2.66 A)
&rst
ixpk= 332, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 546, 547,
&end
#
# 37 PRO HD- 36 GLN HB- 6.00 (# 333:20 Unique 2.20, 3.56 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 560, 561,
igr2= 546, 547,
&end
#
# 35 ILE HA 35 ILE HG1- 6.00 (# 334:20 Unique 2.58, 2.83 A)
&rst
ixpk= 334, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 35 ILE HA 35 ILE HG1+ 6.00 (# 335:20 Unique 2.58, 2.83 A)
&rst
ixpk= 335, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 5 PRO HD+ 5 PRO HG+ 2.20 (# 336:20 Unique 2.33, 2.61 A)
&rst
ixpk= 336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 63, 64,
igr2= 66, 67,
&end
#
# 42 ILE HA 42 ILE HG1+ 6.00 (# 337:20 Unique 2.65, 3.52 A)
&rst
ixpk= 337, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 638, 639,
&end
#
# 10 PRO HD+ 10 PRO HG+ 3.50 (# 338:20 Unique 2.33, 2.61 A)
&rst
ixpk= 338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 156, 157,
igr2= 159, 160,
&end
#
# 0 AMB 20-2:339 0 AMB 20-1:339 3.50 (# 339:20 Double Ambig)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 156, 157, 165,
igr2= 159, 160, 159, 160,
&end
#
# 10 PRO HD+ 10 PRO HG- 3.50 (# 340:20 Unique 2.33, 2.61 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 156, 157,
igr2= 159, 160,
&end
#
# 0 AMB 20-2:341 10 PRO HG- 2.80 (# 341:20 Single Ambig)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 156, 157, 165,
igr2= 159, 160,
&end
#
# 30 PRO HD- 30 PRO HG+ 6.00 (# 342:20 Unique 2.32, 2.61 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2= 454, 455,
&end
#
# 5 PRO HA 5 PRO HG+ 3.50 (# 343:20 Unique 2.84, 3.89 A)
&rst
ixpk= 343, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 66, 67,
&end
#
# 0 AMB 20-2:344 0 AMB 20-1:344 3.50 (# 344:20 Double Ambig)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 614, 569,
igr2= 608, 609, 563, 564, 563, 564,
&end
#
# 37 PRO HD+ 37 PRO HG+ 2.20 (# 345:20 Unique 2.33, 2.61 A)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 560, 561,
igr2= 563, 564,
&end
#
# 30 PRO HA 30 PRO HG- 6.00 (# 346:20 Unique 2.74, 3.35 A)
&rst
ixpk= 346, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:347 30 PRO HG- 3.50 (# 347:20 Single Ambig)
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 451, 452, 419, 420,
igr2= 454, 455,
&end
#
# 30 PRO HD- 30 PRO HG- 3.50 (# 348:20 Unique 2.32, 2.61 A)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 451, 452,
igr2= 454, 455,
&end
#
# 31 ALA HA 34 LEU HG 6.00 (# 349:20 Unique 3.50, 4.32 A)
&rst
ixpk= 349, nxpk= 20, iat= 466, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 ARG HA 8 ARG HG+ 6.00 (# 350:20 Unique 2.32, 2.79 A)
&rst
ixpk= 350, nxpk= 20, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 126, 127,
&end
#
# 21 ARG HA 21 ARG HG- 6.00 (# 351:20 Unique 2.47, 2.84 A)
&rst
ixpk= 351, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 316, 317,
&end
#
# 21 ARG HA 21 ARG HG+ 6.00 (# 352:20 Unique 2.47, 2.84 A)
&rst
ixpk= 352, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 316, 317,
&end
#
# 19 ARG HA 19 ARG HG+ 3.50 (# 353:20 Unique 2.51, 3.28 A)
&rst
ixpk= 353, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 285, 286,
&end
#
# 0 AMB 20-2:354 14 LYS HG- 3.50 (# 354:20 Single Ambig)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 202, 183,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:355 0 AMB 20-1:355 3.50 (# 355:20 Double Ambig)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 202, 183,
igr2= 207, 208, 207, 208,
&end
#
# 0 AMB 20-2:356 0 AMB 20-1:356 6.00 (# 356:20 Double Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 78, 262,
igr2= 83, 84, 83, 84,
&end
#
# 39 LEU HA 39 LEU MDX 6.00 (# 357:20 Unique 2.19, 3.95 A)
&rst
ixpk= 357, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 17 SER HA 34 LEU MDX 6.00 (# 358:20 Unique 6.88, 8.77 A)
&rst
ixpk= 358, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 31 ALA HA 34 LEU MDX 3.50 (# 359:20 Unique 2.31, 4.68 A)
&rst
ixpk= 359, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 34 LEU HA 34 LEU MDX 6.00 (# 360:20 Unique 2.17, 3.96 A)
&rst
ixpk= 360, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 34 LEU HA 34 LEU MDY 3.50 (# 361:20 Unique 2.17, 3.96 A)
&rst
ixpk= 361, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 0 AMB 20-2:362 3 THR MG2 3.50 (# 362:20 Single Ambig)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 34, 48,
igr2= 38, 39, 40,
&end
#
# 3 THR HB 3 THR MG2 2.80 (# 363:20 Unique 2.39, 2.66 A)
&rst
ixpk= 363, nxpk= 20, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 38, 39, 40,
&end
#
# 15 THR HA 15 THR MG2 2.80 (# 364:20 Unique 2.44, 3.05 A)
&rst
ixpk= 364, nxpk= 20, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 228, 229, 230,
&end
#
# 8 ARG HA 15 THR MG2 6.00 (# 365:20 Unique 2.51, 3.75 A)
&rst
ixpk= 365, nxpk= 20, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 228, 229, 230,
&end
#
# 15 THR HB 15 THR MG2 2.20 (# 366:20 Unique 2.42, 2.64 A)
&rst
ixpk= 366, nxpk= 20, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 228, 229, 230,
&end
#
# 14 LYS HA 15 THR MG2 6.00 (# 368:20 Unique 3.68, 4.83 A)
&rst
ixpk= 368, nxpk= 20, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 228, 229, 230,
&end
#
# 5 PRO HA 4 VAL MGX 6.00 (# 369:20 Unique 4.82, 6.36 A)
&rst
ixpk= 369, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 12 THR HA 12 THR MG2 2.20 (# 372:20 Unique 2.33, 3.03 A)
&rst
ixpk= 372, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:373 12 THR MG2 6.00 (# 373:20 Single Ambig)
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 171, 156, 157,
igr2= 185, 186, 187,
&end
#
# 12 THR HB 12 THR MG2 2.20 (# 374:20 Unique 2.38, 2.63 A)
&rst
ixpk= 374, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:375 4 VAL MGX 6.00 (# 375:20 Single Ambig)
&rst
ixpk= 375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 63, 64, 25, 26, 264, 265,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 5 PRO HD- 4 VAL MGX 3.50 (# 376:20 Unique 3.20, 4.85 A)
&rst
ixpk= 376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 63, 64,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 20-2:377 4 VAL MGX 2.80 (# 377:20 Single Ambig)
&rst
ixpk= 377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 48, 34,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 20-2:381 4 VAL MGY 2.80 (# 381:20 Single Ambig)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 48, 34,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 20-2:382 4 VAL MGY 6.00 (# 382:20 Single Ambig)
&rst
ixpk= 382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 63, 64, 25, 26, 264, 265, 264, 265,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 5 PRO HD- 4 VAL MGY 6.00 (# 383:20 Unique 3.20, 4.85 A)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 63, 64,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 11 ALA HA 11 ALA MB 2.20 (# 384:20 Unique 2.44, 2.66 A)
&rst
ixpk= 384, nxpk= 20, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 173, 174, 175,
&end
#
# 33 PHE HB+ 11 ALA MB 6.00 (# 385:20 Unique 7.27, 8.40 A)
&rst
ixpk= 385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 488, 489,
igr2= 173, 174, 175,
&end
#
# 12 THR HA 11 ALA MB 6.00 (# 387:20 Unique 4.79, 5.24 A)
&rst
ixpk= 387, nxpk= 20, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 173, 174, 175,
&end
#
# 0 AMB 20-2:388 11 ALA MB 6.00 (# 388:20 Single Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 183, 195, 196,
igr2= 173, 174, 175,
&end
#
# 40 PRO HA 41 ALA MB 6.00 (# 389:20 Unique 4.28, 4.87 A)
&rst
ixpk= 389, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 622, 623, 624,
&end
#
# 41 ALA HA 41 ALA MB 2.20 (# 390:20 Unique 2.46, 2.67 A)
&rst
ixpk= 390, nxpk= 20, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 622, 623, 624,
&end
#
# 30 PRO HD+ 31 ALA MB 6.00 (# 392:20 Unique 4.55, 6.33 A)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 451, 452,
igr2= 468, 469, 470,
&end
#
# 31 ALA HA 31 ALA MB 2.20 (# 393:20 Unique 2.44, 2.66 A)
&rst
ixpk= 393, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 468, 469, 470,
&end
#
# 24 ALA HA 24 ALA MB 2.20 (# 394:20 Unique 2.45, 2.66 A)
&rst
ixpk= 394, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 368, 369, 370,
&end
#
# 32 ALA HA 32 ALA MB 2.20 (# 395:20 Unique 2.44, 2.66 A)
&rst
ixpk= 395, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 478, 479, 480,
&end
#
# 0 AMB 20-2:396 0 AMB 20-1:396 2.20 (# 396:20 Double Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 630, 525,
igr2= 634, 635, 636, 529, 530, 531,
&end
#
# 5 PRO HB- 35 ILE MD1 3.50 (# 397:20 Unique 2.35, 3.67 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 69, 70,
igr2= 536, 537, 538,
&end
#
# 35 ILE HB 35 ILE MD1 2.20 (# 398:20 Unique 2.34, 3.04 A)
&rst
ixpk= 398, nxpk= 20, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 536, 537, 538,
&end
#
# 35 ILE HG1- 35 ILE MD1 2.20 (# 399:20 Unique 2.35, 2.66 A)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 533, 534,
igr2= 536, 537, 538,
&end
#
# 8 ARG HG- 35 ILE MD1 6.00 (# 400:20 Unique 4.63, 6.06 A)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 126, 127,
igr2= 536, 537, 538,
&end
#
# 35 ILE HG1+ 35 ILE MD1 2.20 (# 401:20 Unique 2.35, 2.66 A)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 533, 534,
igr2= 536, 537, 538,
&end
#
# 35 ILE MG2 35 ILE MD1 2.20 (# 402:20 Unique 2.25, 3.78 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 529, 530, 531,
igr2= 536, 537, 538,
&end
#
# 5 PRO HB+ 35 ILE MD1 6.00 (# 403:20 Unique 2.35, 3.67 A)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 69, 70,
igr2= 536, 537, 538,
&end
#
# 5 PRO HG+ 35 ILE MD1 3.50 (# 404:20 Unique 2.55, 3.64 A)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 66, 67,
igr2= 536, 537, 538,
&end
#
# 15 THR MG2 35 ILE MD1 3.50 (# 405:20 Unique 3.15, 5.32 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 228, 229, 230,
igr2= 536, 537, 538,
&end
#
# 42 ILE HB 42 ILE MD1 6.00 (# 406:20 Unique 2.50, 3.36 A)
&rst
ixpk= 406, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 641, 642, 643,
&end
#
# 42 ILE HG1- 42 ILE MD1 2.80 (# 407:20 Unique 2.38, 2.66 A)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 638, 639,
igr2= 641, 642, 643,
&end
#
# 42 ILE HG1+ 42 ILE MD1 2.80 (# 409:20 Unique 2.38, 2.66 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 638, 639,
igr2= 641, 642, 643,
&end
#
# 22 GLN HA 23 PRO HD+ 3.50 (# 410:20 Unique 2.09, 2.38 A)
&rst
ixpk= 410, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 351, 352,
&end
#
# 34 LEU MDX 34 LEU HB+ 2.80 (# 411:20 Unique 2.31, 3.32 A)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 513, 514, 515, 517, 518, 519,
igr2= 508, 509,
&end
#
# 34 LEU MDY 34 LEU HB+ 3.50 (# 412:20 Unique 2.31, 3.32 A)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 513, 514, 515, 517, 518, 519,
igr2= 508, 509,
&end
#
# 34 LEU MDX 34 LEU HB- 2.80 (# 413:20 Unique 2.31, 3.32 A)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 513, 514, 515, 517, 518, 519,
igr2= 508, 509,
&end
#
# 34 LEU MDY 34 LEU HB- 3.50 (# 414:20 Unique 2.31, 3.32 A)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 513, 514, 515, 517, 518, 519,
igr2= 508, 509,
&end
#
# 43 LEU MDX 43 LEU HB- 2.80 (# 415:20 Unique 2.34, 3.35 A)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 656, 657, 658, 660, 661, 662,
igr2= 651, 652,
&end
#
# 0 AMB 20-2:416 0 AMB 20-1:416 2.20 (# 416:20 Double Ambig)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 594, 595, 596, 598, 599, 600, 594, 595, 596, 598,
599, 600,
igr2= 589, 590, 589, 590,
&end
#
# 30 PRO HB- 26 LEU HB+ 6.00 (# 417:20 Unique 2.36, 6.85 A)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 457, 458,
igr2= 402, 403,
&end
#
# 26 LEU HG 26 LEU HB+ 6.00 (# 418:20 Unique 2.33, 2.68 A)
&rst
ixpk= 418, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 402, 403,
&end
#
# 26 LEU HG 26 LEU HB- 6.00 (# 419:20 Unique 2.33, 2.68 A)
&rst
ixpk= 419, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 402, 403,
&end
#
# 42 ILE HG1- 42 ILE HB 3.50 (# 420:20 Unique 2.39, 2.68 A)
&rst
ixpk= 420, nxpk= 20, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 638, 639,
&end
#
# 42 ILE HG1+ 42 ILE HB 6.00 (# 421:20 Unique 2.39, 2.68 A)
&rst
ixpk= 421, nxpk= 20, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 638, 639,
&end
#
# 0 AMB 20-2:422 42 ILE HB 2.20 (# 422:20 Single Ambig)
&rst
ixpk= 422, nxpk= 20, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 634, 635, 636, 641, 642, 643,
&end
#
# 35 ILE HG1- 35 ILE HB 3.50 (# 423:20 Unique 2.53, 2.80 A)
&rst
ixpk= 423, nxpk= 20, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 533, 534,
&end
#
# 35 ILE HG1+ 35 ILE HB 3.50 (# 424:20 Unique 2.53, 2.80 A)
&rst
ixpk= 424, nxpk= 20, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 533, 534,
&end
#
# 35 ILE MG2 35 ILE HB 2.20 (# 425:20 Unique 2.47, 2.68 A)
&rst
ixpk= 425, nxpk= 20, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 529, 530, 531,
&end
#
# 35 ILE MD1 35 ILE HB 3.50 (# 426:20 Unique 2.34, 3.04 A)
&rst
ixpk= 426, nxpk= 20, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 536, 537, 538,
&end
#
# 44 GLU HB+ 44 GLU HG+ 2.20 (# 427:20 Unique 2.39, 2.75 A)
&rst
ixpk= 427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 670, 671,
igr2= 673, 674,
&end
#
# 44 GLU HB+ 44 GLU HG- 2.20 (# 428:20 Unique 2.39, 2.75 A)
&rst
ixpk= 428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 670, 671,
igr2= 673, 674,
&end
#
# 0 AMB 20-2:430 0 AMB 20-1:430 2.20 (# 430:20 Double Ambig)
&rst
ixpk= 430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 83, 84, 273, 274,
igr2= 80, 81, 80, 81,
&end
#
# 6 LYS HG- 6 LYS HB+ 3.50 (# 431:20 Unique 2.43, 2.76 A)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 8 ARG HD+ 8 ARG HB+ 6.00 (# 433:20 Unique 2.34, 3.02 A)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 129, 130,
igr2= 123, 124,
&end
#
# 0 AMB 20-2:434 0 AMB 20-1:434 2.80 (# 434:20 Double Ambig)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 228, 229, 230, 126, 127,
igr2= 123, 124, 123, 124,
&end
#
# 8 ARG HG- 8 ARG HB+ 6.00 (# 435:20 Unique 2.46, 2.78 A)
&rst
ixpk= 435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 126, 127,
igr2= 123, 124,
&end
#
# 35 ILE MD1 8 ARG HB+ 6.00 (# 436:20 Unique 2.25, 3.92 A)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 536, 537, 538,
igr2= 123, 124,
&end
#
# 0 AMB 20-2:437 8 ARG HB- 2.80 (# 437:20 Single Ambig)
&rst
ixpk= 437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 228, 229, 230, 126, 127,
igr2= 123, 124,
&end
#
# 35 ILE MD1 8 ARG HB- 6.00 (# 438:20 Unique 2.25, 3.92 A)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 536, 537, 538,
igr2= 123, 124,
&end
#
# 8 ARG HD+ 8 ARG HB- 6.00 (# 439:20 Unique 2.34, 3.02 A)
&rst
ixpk= 439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 129, 130,
igr2= 123, 124,
&end
#
# 8 ARG HG- 8 ARG HB- 6.00 (# 440:20 Unique 2.46, 2.78 A)
&rst
ixpk= 440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 126, 127,
igr2= 123, 124,
&end
#
# 36 GLN HB+ 36 GLN HG+ 2.20 (# 441:20 Unique 2.33, 2.76 A)
&rst
ixpk= 441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 546, 547,
igr2= 549, 550,
&end
#
# 35 ILE MG2 36 GLN HG+ 6.00 (# 442:20 Unique 5.13, 6.42 A)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 529, 530, 531,
igr2= 549, 550,
&end
#
# 36 GLN HB- 36 GLN HG+ 2.20 (# 443:20 Unique 2.33, 2.76 A)
&rst
ixpk= 443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 546, 547,
igr2= 549, 550,
&end
#
# 34 LEU HB+ 36 GLN HG+ 6.00 (# 444:20 Unique 2.43, 5.25 A)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 508, 509,
igr2= 549, 550,
&end
#
# 22 GLN HB+ 22 GLN HG+ 2.20 (# 445:20 Unique 2.37, 2.77 A)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 337, 338,
igr2= 340, 341,
&end
#
# 0 AMB 20-2:447 22 GLN HG- 2.20 (# 447:20 Single Ambig)
&rst
ixpk= 447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 337, 338, 316, 317,
igr2= 340, 341,
&end
#
# 14 LYS HD- 14 LYS HB+ 2.20 (# 448:20 Unique 2.39, 2.84 A)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 210, 211,
igr2= 204, 205,
&end
#
# 14 LYS HD- 14 LYS HB- 3.50 (# 449:20 Unique 2.39, 2.84 A)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 210, 211,
igr2= 204, 205,
&end
#
# 0 AMB 20-2:450 4 VAL HB 2.20 (# 450:20 Single Ambig)
&rst
ixpk= 450, nxpk= 20, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 52, 53, 54, 56, 57, 58, 52, 53, 54, 56,
57, 58,
&end
#
# 10 PRO HG+ 10 PRO HB+ 2.20 (# 451:20 Unique 2.37, 2.63 A)
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 159, 160,
igr2= 162, 163,
&end
#
# 5 PRO HG+ 5 PRO HB+ 2.20 (# 452:20 Unique 2.36, 2.63 A)
&rst
ixpk= 452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 66, 67,
igr2= 69, 70,
&end
#
# 0 AMB 20-2:453 0 AMB 20-1:453 6.00 (# 453:20 Double Ambig)
&rst
ixpk= 453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 228, 229, 230, 83, 84,
igr2= 69, 70, 69, 70,
&end
#
# 23 PRO HG- 23 PRO HB+ 3.50 (# 454:20 Unique 2.33, 2.62 A)
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 354, 355,
igr2= 357, 358,
&end
#
# 0 AMB 20-2:455 0 AMB 20-1:455 3.50 (# 455:20 Double Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 354, 355, 622, 623, 624,
igr2= 357, 358, 566, 567,
&end
#
# 0 AMB 20-2:456 5 PRO HB- 6.00 (# 456:20 Single Ambig)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 228, 229, 230, 83, 84,
igr2= 69, 70,
&end
#
# 35 ILE MD1 5 PRO HB- 3.50 (# 457:20 Unique 2.35, 3.67 A)
&rst
ixpk= 457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 536, 537, 538,
igr2= 69, 70,
&end
#
# 23 PRO HG+ 23 PRO HB- 6.00 (# 458:20 Unique 2.33, 2.62 A)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 354, 355,
igr2= 357, 358,
&end
#
# 23 PRO HG- 23 PRO HB- 3.50 (# 459:20 Unique 2.33, 2.62 A)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 354, 355,
igr2= 357, 358,
&end
#
# 30 PRO HG- 30 PRO HB+ 2.20 (# 460:20 Unique 2.36, 2.63 A)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 454, 455,
igr2= 457, 458,
&end
#
# 30 PRO HG- 30 PRO HB- 2.20 (# 461:20 Unique 2.36, 2.63 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 454, 455,
igr2= 457, 458,
&end
#
# 26 LEU HB+ 30 PRO HB- 6.00 (# 462:20 Unique 2.36, 6.85 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 402, 403,
igr2= 457, 458,
&end
#
# 19 ARG HD+ 19 ARG HB+ 6.00 (# 464:20 Unique 2.38, 3.17 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 288, 289,
igr2= 282, 283,
&end
#
# 19 ARG HD+ 19 ARG HB- 6.00 (# 465:20 Unique 2.38, 3.17 A)
&rst
ixpk= 465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 288, 289,
igr2= 282, 283,
&end
#
# 19 ARG HG+ 19 ARG HB- 2.20 (# 466:20 Unique 2.39, 2.70 A)
&rst
ixpk= 466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 285, 286,
igr2= 282, 283,
&end
#
# 21 ARG HD+ 21 ARG HB+ 2.80 (# 470:20 Unique 2.48, 3.02 A)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 319, 320,
igr2= 313, 314,
&end
#
# 21 ARG HG+ 21 ARG HB+ 2.20 (# 471:20 Unique 2.47, 2.77 A)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 316, 317,
igr2= 313, 314,
&end
#
# 36 GLN HG+ 36 GLN HB+ 2.20 (# 473:20 Unique 2.33, 2.76 A)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 549, 550,
igr2= 546, 547,
&end
#
# 0 AMB 20-2:474 0 AMB 20-1:474 2.80 (# 474:20 Double Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 89, 90, 335,
igr2= 86, 87, 337, 338,
&end
#
# 6 LYS HG- 6 LYS HD+ 3.50 (# 475:20 Unique 2.39, 2.74 A)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 83, 84,
igr2= 86, 87,
&end
#
# 22 GLN HG+ 22 GLN HB+ 2.20 (# 476:20 Unique 2.37, 2.77 A)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 340, 341,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:477 0 AMB 20-1:477 2.80 (# 477:20 Double Ambig)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 83, 84, 273, 274,
igr2= 86, 87, 86, 87,
&end
#
# 22 GLN HG+ 22 GLN HB- 2.20 (# 478:20 Unique 2.37, 2.77 A)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 340, 341,
igr2= 337, 338,
&end
#
# 36 GLN HG+ 36 GLN HB- 2.20 (# 479:20 Unique 2.33, 2.76 A)
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 549, 550,
igr2= 546, 547,
&end
#
# 0 AMB 20-2:480 0 AMB 20-1:480 3.50 (# 480:20 Double Ambig)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 213, 214, 335,
igr2= 210, 211, 337, 338,
&end
#
# 14 LYS HE+ 14 LYS HD- 6.00 (# 481:20 Unique 2.32, 2.72 A)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 213, 214,
igr2= 210, 211,
&end
#
# 14 LYS HB- 14 LYS HD- 6.00 (# 482:20 Unique 2.39, 2.84 A)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 204, 205,
igr2= 210, 211,
&end
#
# 35 ILE MG2 35 ILE HG1- 3.50 (# 485:20 Unique 2.51, 3.52 A)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 529, 530, 531,
igr2= 533, 534,
&end
#
# 35 ILE MD1 35 ILE HG1- 2.20 (# 486:20 Unique 2.35, 2.66 A)
&rst
ixpk= 486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 536, 537, 538,
igr2= 533, 534,
&end
#
# 35 ILE HB 35 ILE HG1+ 3.50 (# 487:20 Unique 2.53, 2.80 A)
&rst
ixpk= 487, nxpk= 20, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 533, 534,
&end
#
# 35 ILE MG2 35 ILE HG1+ 2.80 (# 488:20 Unique 2.51, 3.52 A)
&rst
ixpk= 488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 529, 530, 531,
igr2= 533, 534,
&end
#
# 35 ILE MD1 35 ILE HG1+ 2.80 (# 489:20 Unique 2.35, 2.66 A)
&rst
ixpk= 489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 536, 537, 538,
igr2= 533, 534,
&end
#
# 0 AMB 20-2:491 42 ILE HG1- 2.20 (# 491:20 Single Ambig)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 634, 635, 636, 641, 642, 643,
igr2= 638, 639,
&end
#
# 42 ILE HB 42 ILE HG1+ 3.50 (# 492:20 Unique 2.39, 2.68 A)
&rst
ixpk= 492, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:493 0 AMB 20-1:493 2.20 (# 493:20 Double Ambig)
&rst
ixpk= 493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 634, 635, 636, 641, 642, 643,
igr2= 638, 639, 638, 639,
&end
#
# 10 PRO HB+ 10 PRO HG+ 2.80 (# 494:20 Unique 2.37, 2.63 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 162, 163,
igr2= 159, 160,
&end
#
# 10 PRO HB+ 10 PRO HG- 2.80 (# 495:20 Unique 2.37, 2.63 A)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 162, 163,
igr2= 159, 160,
&end
#
# 15 THR MG2 5 PRO HG+ 6.00 (# 496:20 Unique 2.75, 4.66 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 228, 229, 230,
igr2= 66, 67,
&end
#
# 5 PRO HB+ 5 PRO HG+ 2.20 (# 497:20 Unique 2.36, 2.63 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 69, 70,
igr2= 66, 67,
&end
#
# 35 ILE MD1 5 PRO HG+ 6.00 (# 498:20 Unique 2.55, 3.64 A)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 536, 537, 538,
igr2= 66, 67,
&end
#
# 37 PRO HB+ 37 PRO HG+ 2.20 (# 499:20 Unique 2.38, 2.63 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 566, 567,
igr2= 563, 564,
&end
#
# 30 PRO HB- 30 PRO HG- 2.20 (# 500:20 Unique 2.36, 2.63 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 457, 458,
igr2= 454, 455,
&end
#
# 34 LEU MDX 34 LEU HG 2.20 (# 501:20 Unique 2.36, 2.66 A)
&rst
ixpk= 501, nxpk= 20, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 513, 514, 515, 517, 518, 519,
&end
#
# 34 LEU MDY 34 LEU HG 3.50 (# 502:20 Unique 2.36, 2.66 A)
&rst
ixpk= 502, nxpk= 20, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 513, 514, 515, 517, 518, 519,
&end
#
# 8 ARG HD+ 8 ARG HG+ 2.80 (# 503:20 Unique 2.37, 2.70 A)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 129, 130,
igr2= 126, 127,
&end
#
# 0 AMB 20-2:504 0 AMB 20-1:504 2.20 (# 504:20 Double Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 123, 124, 340, 341,
igr2= 126, 127, 354, 355,
&end
#
# 8 ARG HD+ 8 ARG HG- 2.80 (# 505:20 Unique 2.37, 2.70 A)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 129, 130,
igr2= 126, 127,
&end
#
# 8 ARG HB+ 8 ARG HG- 2.80 (# 506:20 Unique 2.46, 2.78 A)
&rst
ixpk= 506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 123, 124,
igr2= 126, 127,
&end
#
# 21 ARG HD+ 21 ARG HG- 3.50 (# 508:20 Unique 2.38, 2.69 A)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 319, 320,
igr2= 316, 317,
&end
#
# 19 ARG HD+ 19 ARG HG+ 2.20 (# 509:20 Unique 2.37, 2.71 A)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 288, 289,
igr2= 285, 286,
&end
#
# 19 ARG HB+ 19 ARG HG+ 2.20 (# 510:20 Unique 2.39, 2.70 A)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 282, 283,
igr2= 285, 286,
&end
#
# 23 PRO HD+ 23 PRO HG+ 3.50 (# 511:20 Unique 2.30, 2.60 A)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 351, 352,
igr2= 354, 355,
&end
#
# 23 PRO HB+ 23 PRO HG+ 3.50 (# 512:20 Unique 2.33, 2.62 A)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 357, 358,
igr2= 354, 355,
&end
#
# 23 PRO HB- 23 PRO HG+ 6.00 (# 513:20 Unique 2.33, 2.62 A)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 357, 358,
igr2= 354, 355,
&end
#
# 23 PRO HB+ 23 PRO HG- 6.00 (# 514:20 Unique 2.33, 2.62 A)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 357, 358,
igr2= 354, 355,
&end
#
# 23 PRO HB- 23 PRO HG- 3.50 (# 515:20 Unique 2.33, 2.62 A)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 357, 358,
igr2= 354, 355,
&end
#
# 0 AMB 20-2:516 39 LEU HG 2.80 (# 516:20 Single Ambig)
&rst
ixpk= 516, nxpk= 20, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 594, 595, 596, 598, 599, 600, 594, 595, 596, 598,
599, 600, 656, 657, 658, 660, 661, 662,
&end
#
# 43 LEU MDY 43 LEU HG 2.20 (# 517:20 Unique 2.39, 2.66 A)
&rst
ixpk= 517, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 656, 657, 658, 660, 661, 662,
&end
#
# 14 LYS HE+ 14 LYS HG- 6.00 (# 521:20 Unique 2.43, 2.98 A)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 213, 214,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:522 14 LYS HG- 2.20 (# 522:20 Single Ambig)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 210, 211, 204, 205,
igr2= 207, 208,
&end
#
# 14 LYS HB- 14 LYS HG- 6.00 (# 523:20 Unique 2.43, 2.77 A)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 204, 205,
igr2= 207, 208,
&end
#
# 14 LYS HE+ 14 LYS HG+ 6.00 (# 524:20 Unique 2.43, 2.98 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 213, 214,
igr2= 207, 208,
&end
#
# 0 AMB 20-2:525 0 AMB 20-1:525 2.20 (# 525:20 Double Ambig)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 210, 211, 204, 205,
igr2= 207, 208, 207, 208,
&end
#
# 14 LYS HB- 14 LYS HG+ 6.00 (# 526:20 Unique 2.43, 2.77 A)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 204, 205,
igr2= 207, 208,
&end
#
# 6 LYS HE+ 6 LYS HG+ 6.00 (# 527:20 Unique 2.44, 3.05 A)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 89, 90,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:528 0 AMB 20-1:528 2.20 (# 528:20 Double Ambig)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 86, 87, 80, 81,
igr2= 83, 84, 83, 84,
&end
#
# 6 LYS HE+ 6 LYS HG- 6.00 (# 529:20 Unique 2.44, 3.05 A)
&rst
ixpk= 529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 89, 90,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:530 0 AMB 20-1:530 2.20 (# 530:20 Double Ambig)
&rst
ixpk= 530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 589, 590, 511, 651, 652,
igr2= 594, 595, 596, 598, 599, 600, 83, 84,
&end
#
# 0 AMB 20-2:531 43 LEU MDX 2.20 (# 531:20 Single Ambig)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 651, 652, 654, 589, 590,
igr2= 656, 657, 658, 660, 661, 662,
&end
#
# 43 LEU HB- 43 LEU MDX 2.20 (# 532:20 Unique 2.34, 3.35 A)
&rst
ixpk= 532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 651, 652,
igr2= 656, 657, 658, 660, 661, 662,
&end
#
# 0 AMB 20-2:534 34 LEU MDX 2.20 (# 534:20 Single Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 511, 527,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 0 AMB 20-2:536 43 LEU MDX 2.20 (# 536:20 Single Ambig)
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 651, 652, 654, 589, 590,
igr2= 656, 657, 658, 660, 661, 662,
&end
#
# 6 LYS HE+ 34 LEU MDY 6.00 (# 537:20 Unique 2.60, 4.99 A)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 89, 90,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 0 AMB 20-2:538 34 LEU MDY 2.20 (# 538:20 Single Ambig)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 511, 527,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 0 AMB 20-2:544 39 LEU MDY 2.20 (# 544:20 Single Ambig)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 589, 590, 651, 652,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 43 LEU HB- 43 LEU MDY 3.50 (# 545:20 Unique 2.34, 3.35 A)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 651, 652,
igr2= 656, 657, 658, 660, 661, 662,
&end
#
# 8 ARG HD+ 15 THR MG2 3.50 (# 546:20 Unique 2.66, 3.97 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 129, 130,
igr2= 228, 229, 230,
&end
#
# 5 PRO HB+ 15 THR MG2 6.00 (# 547:20 Unique 3.38, 4.37 A)
&rst
ixpk= 547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 69, 70,
igr2= 228, 229, 230,
&end
#
# 5 PRO HG+ 15 THR MG2 3.50 (# 548:20 Unique 2.75, 4.66 A)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 66, 67,
igr2= 228, 229, 230,
&end
#
# 5 PRO HB- 15 THR MG2 6.00 (# 549:20 Unique 3.38, 4.37 A)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 69, 70,
igr2= 228, 229, 230,
&end
#
# 8 ARG HB- 15 THR MG2 2.80 (# 550:20 Unique 2.34, 4.16 A)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 123, 124,
igr2= 228, 229, 230,
&end
#
# 35 ILE MD1 15 THR MG2 6.00 (# 551:20 Unique 3.15, 5.32 A)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 536, 537, 538,
igr2= 228, 229, 230,
&end
#
# 11 ALA MB 12 THR MG2 2.80 (# 553:20 Unique 2.76, 4.47 A)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 173, 174, 175,
igr2= 185, 186, 187,
&end
#
# 4 VAL HB 4 VAL MGX 2.20 (# 554:20 Unique 2.40, 2.65 A)
&rst
ixpk= 554, nxpk= 20, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 34 LEU MDX 31 ALA MB 3.50 (# 555:20 Unique 3.79, 6.70 A)
&rst
ixpk= 555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 513, 514, 515, 517, 518, 519,
igr2= 468, 469, 470,
&end
#
# 29 ASP HB+ 32 ALA MB 6.00 (# 556:20 Unique 2.59, 4.93 A)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 442, 443,
igr2= 478, 479, 480,
&end
#
# 42 ILE HB 42 ILE MG2 2.20 (# 558:20 Unique 2.40, 2.66 A)
&rst
ixpk= 558, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 634, 635, 636,
&end
#
# 42 ILE HG1+ 42 ILE MG2 2.80 (# 559:20 Unique 2.35, 3.31 A)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 638, 639,
igr2= 634, 635, 636,
&end
#
# 35 ILE HB 35 ILE MG2 2.20 (# 560:20 Unique 2.47, 2.68 A)
&rst
ixpk= 560, nxpk= 20, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 529, 530, 531,
&end
#
# 42 ILE HG1- 42 ILE MG2 2.20 (# 561:20 Unique 2.35, 3.31 A)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 638, 639,
igr2= 634, 635, 636,
&end
#
# 0 AMB 20-2:562 5 PRO HA 6.00 (# 562:20 Single Ambig)
&rst
ixpk= 562, nxpk= 20, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 264, 265, 63, 64,
&end
#
# 5 PRO HD+ 4 VAL HA 2.20 (# 563:20 Unique 2.13, 2.46 A)
&rst
ixpk= 563, nxpk= 20, iat= -1, 48, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 63, 64,
&end
#
# 5 PRO HD- 4 VAL HA 2.20 (# 564:20 Unique 2.13, 2.46 A)
&rst
ixpk= 564, nxpk= 20, iat= -1, 48, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 63, 64,
&end
#
# 17 SER HB- 17 SER HA 2.20 (# 565:20 Unique 2.31, 2.55 A)
&rst
ixpk= 565, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 264, 265,
&end
#
# 5 PRO HA 17 SER HA 2.80 (# 566:20 Unique 2.50, 2.74 A)
&rst
ixpk= 566, nxpk= 20, iat= 72, 262, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 TRP HB+ 25 TRP HA 2.20 (# 567:20 Unique 2.31, 2.43 A)
&rst
ixpk= 567, nxpk= 20, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 378, 379,
&end
#
# 25 TRP HB- 25 TRP HA 2.20 (# 568:20 Unique 2.31, 2.43 A)
&rst
ixpk= 568, nxpk= 20, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 378, 379,
&end
#
# 7 TYR HA 34 LEU HA 3.50 (# 569:20 Unique 2.20, 2.40 A)
&rst
ixpk= 569, nxpk= 20, iat= 100, 506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 VAL HA 5 PRO HD+ 2.20 (# 571:20 Unique 2.13, 2.46 A)
&rst
ixpk= 571, nxpk= 20, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 63, 64,
&end
#
# 36 GLN HA 37 PRO HD+ 2.20 (# 573:20 Unique 2.06, 2.47 A)
&rst
ixpk= 573, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 560, 561,
&end
#
# 0 AMB 20-2:574 0 AMB 20-1:574 2.20 (# 574:20 Double Ambig)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 48, 569,
igr2= 63, 64, 560, 561,
&end
#
# 39 LEU HA 40 PRO HD+ 2.20 (# 576:20 Unique 2.12, 2.47 A)
&rst
ixpk= 576, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 605, 606,
&end
#
# 36 GLN HA 37 PRO HD- 2.20 (# 577:20 Unique 2.06, 2.47 A)
&rst
ixpk= 577, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 560, 561,
&end
#
# 39 LEU HA 40 PRO HD- 2.20 (# 578:20 Unique 2.12, 2.47 A)
&rst
ixpk= 578, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 605, 606,
&end
#
# 40 PRO HA 40 PRO HD- 6.00 (# 579:20 Unique 3.47, 3.78 A)
&rst
ixpk= 579, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 605, 606,
&end
#
# 29 ASP HA 30 PRO HD+ 2.20 (# 581:20 Unique 2.22, 2.43 A)
&rst
ixpk= 581, nxpk= 20, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 451, 452,
&end
#
# 29 ASP HA 30 PRO HD- 2.20 (# 582:20 Unique 2.22, 2.43 A)
&rst
ixpk= 582, nxpk= 20, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 451, 452,
&end
#
# 19 ARG HA 19 ARG HD+ 6.00 (# 583:20 Unique 2.18, 3.91 A)
&rst
ixpk= 583, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 288, 289,
&end
#
# 7 TYR HA 7 TYR HB+ 6.00 (# 584:20 Unique 2.40, 2.73 A)
&rst
ixpk= 584, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 7 TYR HA 7 TYR HB- 6.00 (# 585:20 Unique 2.40, 2.73 A)
&rst
ixpk= 585, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 33 PHE HA 33 PHE HB+ 6.00 (# 586:20 Unique 2.19, 2.46 A)
&rst
ixpk= 586, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 33 PHE HA 33 PHE HB- 6.00 (# 587:20 Unique 2.19, 2.46 A)
&rst
ixpk= 587, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 16 TRP HA 16 TRP HB+ 3.50 (# 588:20 Unique 2.44, 2.75 A)
&rst
ixpk= 588, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 240, 241,
&end
#
# 16 TRP HA 16 TRP HB- 6.00 (# 589:20 Unique 2.44, 2.75 A)
&rst
ixpk= 589, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 240, 241,
&end
#
# 25 TRP HA 25 TRP HB+ 2.20 (# 594:20 Unique 2.31, 2.43 A)
&rst
ixpk= 594, nxpk= 20, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 378, 379,
&end
#
# 25 TRP HA 25 TRP HB- 2.20 (# 595:20 Unique 2.31, 2.43 A)
&rst
ixpk= 595, nxpk= 20, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 378, 379,
&end
#
# 15 THR HA 15 THR HB 3.50 (# 596:20 Unique 2.40, 2.52 A)
&rst
ixpk= 596, nxpk= 20, iat= 224, 226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 THR HA 12 THR HB 2.20 (# 597:20 Unique 2.31, 2.32 A)
&rst
ixpk= 597, nxpk= 20, iat= 181, 183, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 14 LYS HE+ 12 THR HB 6.00 (# 598:20 Unique 3.04, 4.39 A)
&rst
ixpk= 598, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 213, 214,
&end
#
# 3 THR HA 3 THR HB 2.20 (# 599:20 Unique 2.29, 2.31 A)
&rst
ixpk= 599, nxpk= 20, iat= 34, 36, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 10 PRO HB+ 10 PRO HA 2.20 (# 600:20 Unique 2.29, 2.53 A)
&rst
ixpk= 600, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 162, 163,
&end
#
# 38 ASP HB- 38 ASP HA 6.00 (# 601:20 Unique 2.33, 2.75 A)
&rst
ixpk= 601, nxpk= 20, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 577, 578,
&end
#
# 38 ASP HB+ 38 ASP HA 3.50 (# 602:20 Unique 2.33, 2.75 A)
&rst
ixpk= 602, nxpk= 20, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 577, 578,
&end
#
# 8 ARG HD+ 35 ILE MD1 6.00 (# 603:20 Unique 3.72, 5.30 A)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 129, 130,
igr2= 536, 537, 538,
&end
#
# 35 ILE HN 35 ILE MD1 6.00 (# 604:20 Unique 3.72, 4.40 A)
&rst
ixpk= 604, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 536, 537, 538,
&end
#
# 26 LEU MDX 30 PRO HA 6.00 (# 605:20 Unique 2.30, 4.54 A)
&rst
ixpk= 605, nxpk= 20, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 407, 408, 409, 411, 412, 413,
&end
#
# 33 PHE HN 30 PRO HA 6.00 (# 607:20 Unique 3.82, 4.11 A)
&rst
ixpk= 607, nxpk= 20, iat= 484, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 GLY HN 10 PRO HA 6.00 (# 608:20 Unique 3.80, 3.96 A)
&rst
ixpk= 608, nxpk= 20, iat= 193, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 PRO HD- 5 PRO HA 6.00 (# 609:20 Unique 3.43, 3.81 A)
&rst
ixpk= 609, nxpk= 20, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 63, 64,
&end
#
# 36 GLN HN 35 ILE MG2 6.00 (# 610:20 Unique 2.85, 3.61 A)
&rst
ixpk= 610, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 529, 530, 531,
&end
#
# 0 AMB 20-2:611 0 AMB 20-1:611 6.00 (# 611:20 Double Ambig)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 666, 523,
igr2= 634, 635, 636, 529, 530, 531,
&end
#
# 26 LEU HG 26 LEU MDX 6.00 (# 612:20 Unique 2.38, 2.65 A)
&rst
ixpk= 612, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 26 LEU HB- 26 LEU MDX 6.00 (# 613:20 Unique 2.30, 3.37 A)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 402, 403,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 26 LEU HB+ 26 LEU MDX 6.00 (# 614:20 Unique 2.30, 3.37 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 402, 403,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 20-2:615 26 LEU MDX 6.00 (# 615:20 Single Ambig)
&rst
ixpk= 615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 337, 338, 340, 341, 351, 352,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 30 PRO HB- 26 LEU MDX 6.00 (# 616:20 Unique 2.42, 5.13 A)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 457, 458,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 20-2:617 26 LEU MDX 3.50 (# 617:20 Single Ambig)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 102, 103, 240, 241, 488, 489,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 26 LEU HA 26 LEU MDX 6.00 (# 618:20 Unique 2.14, 3.71 A)
&rst
ixpk= 618, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 20-2:619 26 LEU MDX 6.00 (# 619:20 Single Ambig)
&rst
ixpk= 619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 419, 420, 488, 489, 451, 452,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 30 PRO HA 26 LEU MDX 6.00 (# 620:20 Unique 2.30, 4.54 A)
&rst
ixpk= 620, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 25 TRP HZ3 26 LEU MDX 6.00 (# 621:20 Unique 2.58, 4.74 A)
&rst
ixpk= 621, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 33 PHE HE 26 LEU MDX 6.00 (# 622:20 Unique 2.19, 5.55 A)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 494, 498,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 25 TRP HH2 26 LEU MDX 6.00 (# 623:20 Unique 2.99, 5.46 A)
&rst
ixpk= 623, nxpk= 20, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 20-2:624 26 LEU MDX 6.00 (# 624:20 Single Ambig)
&rst
ixpk= 624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 496, 253, 108, 113,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 20-2:625 26 LEU MDX 6.00 (# 625:20 Single Ambig)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 255, 106, 115, 492, 500,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 25 TRP HE3 26 LEU MDX 6.00 (# 626:20 Unique 3.06, 5.32 A)
&rst
ixpk= 626, nxpk= 20, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 26 LEU HG 26 LEU MDY 6.00 (# 627:20 Unique 2.38, 2.65 A)
&rst
ixpk= 627, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 26 LEU HB- 26 LEU MDY 6.00 (# 628:20 Unique 2.30, 3.37 A)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 402, 403,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 26 LEU HB+ 26 LEU MDY 6.00 (# 629:20 Unique 2.30, 3.37 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 402, 403,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 20-2:630 26 LEU MDY 3.50 (# 630:20 Single Ambig)
&rst
ixpk= 630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 337, 338, 340, 341, 351, 352,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 22 GLN HG+ 26 LEU MDY 6.00 (# 631:20 Unique 2.25, 5.33 A)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 340, 341,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 30 PRO HB- 26 LEU MDY 6.00 (# 632:20 Unique 2.42, 5.13 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 457, 458,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 20-2:633 26 LEU MDY 3.50 (# 633:20 Single Ambig)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 102, 103, 240, 241, 488, 489,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 26 LEU HA 26 LEU MDY 6.00 (# 634:20 Unique 2.14, 3.71 A)
&rst
ixpk= 634, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 20-2:635 26 LEU MDY 6.00 (# 635:20 Single Ambig)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 488, 489, 451, 452,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 30 PRO HA 26 LEU MDY 6.00 (# 636:20 Unique 2.30, 4.54 A)
&rst
ixpk= 636, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 26 LEU HN 26 LEU MDY 6.00 (# 637:20 Unique 2.34, 4.95 A)
&rst
ixpk= 637, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 33 PHE HE 26 LEU MDY 6.00 (# 638:20 Unique 2.19, 5.55 A)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 494, 498,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 20-2:639 26 LEU MDY 6.00 (# 639:20 Single Ambig)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 496, 253, 108, 113,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 20-2:640 26 LEU MDY 6.00 (# 640:20 Single Ambig)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 255, 106, 115, 492, 500,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 25 TRP HE3 26 LEU MDY 6.00 (# 641:20 Unique 3.06, 5.32 A)
&rst
ixpk= 641, nxpk= 20, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 407, 408, 409, 411, 412, 413,
&end
#
# 2 SER HB+ 2 SER HA 6.00 (# 642:20 Unique 2.41, 2.69 A)
&rst
ixpk= 642, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 25, 26,
&end
#
# 2 SER HA 2 SER HB+ 6.00 (# 643:20 Unique 2.41, 2.69 A)
&rst
ixpk= 643, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 25, 26,
&end
#
# 3 THR HB 3 THR HA 2.20 (# 644:20 Unique 2.29, 2.31 A)
&rst
ixpk= 644, nxpk= 20, iat= 36, 34, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 8 ARG HA 15 THR HA 3.50 (# 645:20 Unique 2.28, 2.35 A)
&rst
ixpk= 645, nxpk= 20, iat= 121, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 THR HB 15 THR HA 6.00 (# 646:20 Unique 2.40, 2.52 A)
&rst
ixpk= 646, nxpk= 20, iat= 226, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 THR MG2 15 THR HA 3.50 (# 647:20 Unique 2.44, 3.05 A)
&rst
ixpk= 647, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 228, 229, 230,
&end
#
# 16 TRP HN 15 THR HA 6.00 (# 648:20 Unique 2.24, 2.26 A)
&rst
ixpk= 648, nxpk= 20, iat= 236, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 VAL HB 4 VAL MGY 2.20 (# 649:20 Unique 2.40, 2.65 A)
&rst
ixpk= 649, nxpk= 20, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 25 TRP HE1 23 PRO HB+ 6.00 (# 650:20 Unique 2.58, 3.07 A)
&rst
ixpk= 650, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 357, 358,
&end
#
# 6 LYS HN 5 PRO HB- 6.00 (# 651:20 Unique 2.57, 3.05 A)
&rst
ixpk= 651, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 6 LYS HN 5 PRO HB+ 6.00 (# 652:20 Unique 2.57, 3.05 A)
&rst
ixpk= 652, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 10 PRO HB+ 10 PRO HD+ 6.00 (# 653:20 Unique 2.80, 3.67 A)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 162, 163,
igr2= 156, 157,
&end
#
# 10 PRO HB+ 10 PRO HD- 6.00 (# 654:20 Unique 2.80, 3.67 A)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 162, 163,
igr2= 156, 157,
&end
#
# 0 AMB 20-2:655 10 PRO HD- 6.00 (# 655:20 Single Ambig)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 147, 148, 173, 174, 175,
igr2= 156, 157,
&end
#
# 11 ALA MB 10 PRO HD+ 6.00 (# 656:20 Unique 4.29, 5.82 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 173, 174, 175,
igr2= 156, 157,
&end
#
# 0 AMB 20-2:657 0 AMB 20-1:657 6.00 (# 657:20 Double Ambig)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 536, 537, 538, 354, 355,
igr2= 80, 81, 80, 81,
&end
#
# 34 LEU MDX 6 LYS HB+ 6.00 (# 658:20 Unique 3.25, 6.50 A)
&rst
ixpk= 658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 513, 514, 515, 517, 518, 519,
igr2= 80, 81,
&end
#
# 6 LYS HE+ 6 LYS HB+ 6.00 (# 659:20 Unique 2.16, 4.29 A)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 89, 90,
igr2= 80, 81,
&end
#
# 16 TRP HH2 6 LYS HB+ 6.00 (# 660:20 Unique 6.34, 7.02 A)
&rst
ixpk= 660, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:661 6 LYS HG- 2.20 (# 661:20 Single Ambig)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 86, 87, 80, 81,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:662 0 AMB 20-1:662 6.00 (# 662:20 Double Ambig)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 183, 202,
igr2= 210, 211, 210, 211,
&end
#
# 0 AMB 20-2:663 14 LYS HD- 6.00 (# 663:20 Single Ambig)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 183, 202,
igr2= 210, 211,
&end
#
# 0 AMB 20-2:664 22 GLN HB- 6.00 (# 664:20 Single Ambig)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 249, 345, 346,
igr2= 337, 338,
&end
#
# 14 LYS HB- 14 LYS HE+ 6.00 (# 665:20 Unique 2.26, 4.50 A)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 204, 205,
igr2= 213, 214,
&end
#
# 7 TYR HB+ 7 TYR HA 3.50 (# 666:20 Unique 2.40, 2.73 A)
&rst
ixpk= 666, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 102, 103,
&end
#
# 16 TRP HB+ 16 TRP HA 3.50 (# 667:20 Unique 2.44, 2.75 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 240, 241,
&end
#
# 0 AMB 20-2:668 16 TRP HA 6.00 (# 668:20 Single Ambig)
&rst
ixpk= 668, nxpk= 20, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 240, 241, 288, 289,
&end
#
# 35 ILE HG1- 7 TYR HA 6.00 (# 669:20 Unique 2.41, 3.32 A)
&rst
ixpk= 669, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 0 AMB 20-2:670 7 TYR HA 6.00 (# 670:20 Single Ambig)
&rst
ixpk= 670, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 511, 527, 123, 124, 508, 509,
&end
#
# 0 AMB 20-2:671 7 TYR HA 6.00 (# 671:20 Single Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 106, 115, 492, 500,
&end
#
# 35 ILE HN 7 TYR HA 6.00 (# 672:20 Unique 2.43, 2.65 A)
&rst
ixpk= 672, nxpk= 20, iat= 523, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 TRP HD1 16 TRP HA 3.50 (# 673:20 Unique 2.56, 2.67 A)
&rst
ixpk= 673, nxpk= 20, iat= 244, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 TRP HN 16 TRP HA 6.00 (# 674:20 Unique 2.92, 2.93 A)
&rst
ixpk= 674, nxpk= 20, iat= 236, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 ARG HN 7 TYR HA 6.00 (# 675:20 Unique 2.23, 2.26 A)
&rst
ixpk= 675, nxpk= 20, iat= 119, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU MDX 7 TYR HB+ 6.00 (# 676:20 Unique 2.31, 4.60 A)
&rst
ixpk= 676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 102, 103,
&end
#
# 26 LEU MDX 7 TYR HB- 6.00 (# 677:20 Unique 2.31, 4.60 A)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 102, 103,
&end
#
# 25 TRP HH2 7 TYR HB+ 6.00 (# 678:20 Unique 2.32, 2.68 A)
&rst
ixpk= 678, nxpk= 20, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 25 TRP HH2 7 TYR HB- 6.00 (# 679:20 Unique 2.32, 2.68 A)
&rst
ixpk= 679, nxpk= 20, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 7 TYR HN 7 TYR HB- 6.00 (# 680:20 Unique 2.69, 3.28 A)
&rst
ixpk= 680, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 16 TRP HN 7 TYR HB- 6.00 (# 681:20 Unique 3.10, 3.91 A)
&rst
ixpk= 681, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 8 ARG HN 7 TYR HB- 6.00 (# 682:20 Unique 2.77, 3.42 A)
&rst
ixpk= 682, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 8 ARG HN 7 TYR HB+ 6.00 (# 683:20 Unique 2.77, 3.42 A)
&rst
ixpk= 683, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 15 THR HA 8 ARG HA 3.50 (# 686:20 Unique 2.28, 2.35 A)
&rst
ixpk= 686, nxpk= 20, iat= 224, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASP HN 8 ARG HA 3.50 (# 687:20 Unique 2.08, 2.11 A)
&rst
ixpk= 687, nxpk= 20, iat= 143, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 ARG HN 8 ARG HA 6.00 (# 688:20 Unique 2.94, 2.96 A)
&rst
ixpk= 688, nxpk= 20, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 ARG HB- 8 ARG HA 3.50 (# 689:20 Unique 2.44, 2.77 A)
&rst
ixpk= 689, nxpk= 20, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 123, 124,
&end
#
# 0 AMB 20-2:690 8 ARG HA 3.50 (# 690:20 Single Ambig)
&rst
ixpk= 690, nxpk= 20, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 126, 127, 228, 229, 230,
&end
#
# 8 ARG HG- 8 ARG HA 6.00 (# 691:20 Unique 2.32, 2.79 A)
&rst
ixpk= 691, nxpk= 20, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 126, 127,
&end
#
# 35 ILE HG1+ 8 ARG HB+ 6.00 (# 692:20 Unique 2.73, 3.36 A)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 123, 124,
&end
#
# 35 ILE HG1+ 8 ARG HB- 6.00 (# 693:20 Unique 2.73, 3.36 A)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 123, 124,
&end
#
# 8 ARG HN 8 ARG HB+ 6.00 (# 694:20 Unique 2.83, 3.11 A)
&rst
ixpk= 694, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 123, 124,
&end
#
# 8 ARG HN 8 ARG HB- 6.00 (# 695:20 Unique 2.83, 3.11 A)
&rst
ixpk= 695, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 123, 124,
&end
#
# 8 ARG HA 8 ARG HG- 6.00 (# 696:20 Unique 2.32, 2.79 A)
&rst
ixpk= 696, nxpk= 20, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 126, 127,
&end
#
# 9 ASP HN 8 ARG HG- 6.00 (# 697:20 Unique 3.13, 3.37 A)
&rst
ixpk= 697, nxpk= 20, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 126, 127,
&end
#
# 31 ALA HA 34 LEU HB- 6.00 (# 698:20 Unique 2.32, 2.96 A)
&rst
ixpk= 698, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 508, 509,
&end
#
# 33 PHE HE 34 LEU HB+ 6.00 (# 699:20 Unique 4.33, 7.83 A)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 494, 498,
igr2= 508, 509,
&end
#
# 33 PHE HE 34 LEU HB- 6.00 (# 700:20 Unique 4.33, 7.83 A)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 494, 498,
igr2= 508, 509,
&end
#
# 0 AMB 20-2:701 0 AMB 20-1:701 6.00 (# 701:20 Double Ambig)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 106, 115, 492, 500,
igr2= 508, 509, 508, 509,
&end
#
# 0 AMB 20-2:702 34 LEU HB- 6.00 (# 702:20 Single Ambig)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 106, 115, 492, 500,
igr2= 508, 509,
&end
#
# 35 ILE HN 34 LEU HB+ 6.00 (# 703:20 Unique 2.89, 4.06 A)
&rst
ixpk= 703, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 508, 509,
&end
#
# 35 ILE HN 34 LEU HB- 6.00 (# 704:20 Unique 2.89, 4.06 A)
&rst
ixpk= 704, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 508, 509,
&end
#
# 33 PHE HN 34 LEU HB+ 6.00 (# 705:20 Unique 3.71, 4.52 A)
&rst
ixpk= 705, nxpk= 20, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 508, 509,
&end
#
# 10 PRO HD+ 9 ASP HA 2.80 (# 706:20 Unique 2.13, 2.40 A)
&rst
ixpk= 706, nxpk= 20, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 156, 157,
&end
#
# 10 PRO HD- 9 ASP HA 3.50 (# 707:20 Unique 2.13, 2.40 A)
&rst
ixpk= 707, nxpk= 20, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 156, 157,
&end
#
# 9 ASP HB- 9 ASP HA 6.00 (# 709:20 Unique 2.37, 2.71 A)
&rst
ixpk= 709, nxpk= 20, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 147, 148,
&end
#
# 14 LYS HB- 9 ASP HB+ 6.00 (# 710:20 Unique 2.33, 3.58 A)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 204, 205,
igr2= 147, 148,
&end
#
# 0 AMB 20-2:711 0 AMB 20-1:711 6.00 (# 711:20 Double Ambig)
&rst
ixpk= 711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 207, 208, 228, 229, 230,
igr2= 147, 148, 147, 148,
&end
#
# 14 LYS HN 9 ASP HB+ 6.00 (# 712:20 Unique 2.35, 3.42 A)
&rst
ixpk= 712, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 147, 148,
&end
#
# 13 GLY HN 9 ASP HB+ 6.00 (# 714:20 Unique 3.07, 4.03 A)
&rst
ixpk= 714, nxpk= 20, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 147, 148,
&end
#
# 14 LYS HN 9 ASP HB- 6.00 (# 715:20 Unique 2.35, 3.42 A)
&rst
ixpk= 715, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 147, 148,
&end
#
# 0 AMB 20-2:716 0 AMB 20-1:716 6.00 (# 716:20 Double Ambig)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 656, 657, 658, 660, 661, 662, 594, 595, 596, 598,
599, 600,
igr2= 608, 609, 563, 564, 563, 564,
&end
#
# 36 GLN HA 37 PRO HG+ 6.00 (# 717:20 Unique 4.21, 4.60 A)
&rst
ixpk= 717, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 563, 564,
&end
#
# 38 ASP HN 37 PRO HG+ 6.00 (# 718:20 Unique 2.74, 4.64 A)
&rst
ixpk= 718, nxpk= 20, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 563, 564,
&end
#
# 36 GLN HG+ 37 PRO HD+ 6.00 (# 719:20 Unique 3.15, 4.61 A)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 549, 550,
igr2= 560, 561,
&end
#
# 36 GLN HG+ 37 PRO HD- 6.00 (# 720:20 Unique 3.15, 4.61 A)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 549, 550,
igr2= 560, 561,
&end
#
# 36 GLN HB+ 37 PRO HD+ 3.50 (# 721:20 Unique 2.20, 3.56 A)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 546, 547,
igr2= 560, 561,
&end
#
# 36 GLN HB+ 37 PRO HD- 3.50 (# 722:20 Unique 2.20, 3.56 A)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 546, 547,
igr2= 560, 561,
&end
#
# 11 ALA HN 11 ALA HA 3.50 (# 723:20 Unique 2.88, 2.89 A)
&rst
ixpk= 723, nxpk= 20, iat= 169, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 LEU HN 38 ASP HA 3.50 (# 724:20 Unique 2.75, 3.21 A)
&rst
ixpk= 724, nxpk= 20, iat= 585, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ASP HN 38 ASP HA 6.00 (# 725:20 Unique 2.22, 2.55 A)
&rst
ixpk= 725, nxpk= 20, iat= 573, 575, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR MG2 11 ALA MB 3.50 (# 727:20 Unique 2.76, 4.47 A)
&rst
ixpk= 727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 185, 186, 187,
igr2= 173, 174, 175,
&end
#
# 11 ALA MB 12 THR HA 6.00 (# 728:20 Unique 4.79, 5.24 A)
&rst
ixpk= 728, nxpk= 20, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 173, 174, 175,
&end
#
# 13 GLY HN 12 THR HA 6.00 (# 729:20 Unique 3.44, 3.48 A)
&rst
ixpk= 729, nxpk= 20, iat= 193, 181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 LYS HN 12 THR HB 6.00 (# 730:20 Unique 3.32, 3.86 A)
&rst
ixpk= 730, nxpk= 20, iat= 200, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 LYS HE+ 12 THR MG2 6.00 (# 731:20 Unique 3.36, 5.68 A)
&rst
ixpk= 731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 213, 214,
igr2= 185, 186, 187,
&end
#
# 11 ALA HN 12 THR MG2 6.00 (# 732:20 Unique 4.51, 5.62 A)
&rst
ixpk= 732, nxpk= 20, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 185, 186, 187,
&end
#
# 13 GLY HN 12 THR MG2 6.00 (# 733:20 Unique 4.63, 5.15 A)
&rst
ixpk= 733, nxpk= 20, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 185, 186, 187,
&end
#
# 14 LYS HN 13 GLY HA+ 6.00 (# 734:20 Unique 3.24, 3.34 A)
&rst
ixpk= 734, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 195, 196,
&end
#
# 14 LYS HN 13 GLY HA- 6.00 (# 735:20 Unique 3.24, 3.34 A)
&rst
ixpk= 735, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 195, 196,
&end
#
# 12 THR HN 13 GLY HA- 6.00 (# 738:20 Unique 4.22, 4.64 A)
&rst
ixpk= 738, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 195, 196,
&end
#
# 8 ARG HG+ 13 GLY HA- 6.00 (# 739:20 Unique 2.98, 4.07 A)
&rst
ixpk= 739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 126, 127,
igr2= 195, 196,
&end
#
# 0 AMB 20-2:740 13 GLY HA- 6.00 (# 740:20 Single Ambig)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 126, 127, 207, 208,
igr2= 195, 196,
&end
#
# 0 AMB 20-2:741 0 AMB 20-1:741 6.00 (# 741:20 Double Ambig)
&rst
ixpk= 741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1= 126, 127, 228, 229, 230, 207, 208,
igr2= 195, 196, 195, 196, 195, 196,
&end
#
# 8 ARG HG- 13 GLY HA+ 6.00 (# 742:20 Unique 2.98, 4.07 A)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 126, 127,
igr2= 195, 196,
&end
#
# 14 LYS HG+ 14 LYS HA 3.50 (# 743:20 Unique 2.37, 2.67 A)
&rst
ixpk= 743, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 207, 208,
&end
#
# 14 LYS HE+ 14 LYS HA 6.00 (# 744:20 Unique 4.46, 5.18 A)
&rst
ixpk= 744, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 213, 214,
&end
#
# 14 LYS HA 14 LYS HB- 6.00 (# 745:20 Unique 2.48, 2.79 A)
&rst
ixpk= 745, nxpk= 20, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 204, 205,
&end
#
# 14 LYS HN 14 LYS HB- 6.00 (# 746:20 Unique 2.35, 3.00 A)
&rst
ixpk= 746, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 204, 205,
&end
#
# 25 TRP HE1 14 LYS HB+ 6.00 (# 747:20 Unique 2.43, 2.96 A)
&rst
ixpk= 747, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 204, 205,
&end
#
# 14 LYS HN 14 LYS HG- 6.00 (# 748:20 Unique 2.19, 2.92 A)
&rst
ixpk= 748, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 207, 208,
&end
#
# 25 TRP HE1 14 LYS HD+ 6.00 (# 749:20 Unique 2.82, 3.33 A)
&rst
ixpk= 749, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 210, 211,
&end
#
# 12 THR MG2 14 LYS HE+ 6.00 (# 750:20 Unique 3.36, 5.68 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 185, 186, 187,
igr2= 213, 214,
&end
#
# 14 LYS HD- 14 LYS HE+ 6.00 (# 751:20 Unique 2.32, 2.72 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 210, 211,
igr2= 213, 214,
&end
#
# 14 LYS HG+ 14 LYS HE+ 6.00 (# 752:20 Unique 2.43, 2.98 A)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 207, 208,
igr2= 213, 214,
&end
#
# 14 LYS HN 14 LYS HE+ 6.00 (# 753:20 Unique 4.47, 5.17 A)
&rst
ixpk= 753, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 213, 214,
&end
#
# 8 ARG HB- 15 THR HA 6.00 (# 754:20 Unique 3.56, 4.42 A)
&rst
ixpk= 754, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 124,
&end
#
# 8 ARG HG- 15 THR HA 6.00 (# 755:20 Unique 3.15, 4.24 A)
&rst
ixpk= 755, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 126, 127,
&end
#
# 25 TRP HH2 15 THR HA 6.00 (# 756:20 Unique 2.70, 2.99 A)
&rst
ixpk= 756, nxpk= 20, iat= 389, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 TRP HZ2 15 THR HA 6.00 (# 757:20 Unique 2.99, 3.20 A)
&rst
ixpk= 757, nxpk= 20, iat= 387, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 THR HN 15 THR HA 6.00 (# 758:20 Unique 2.99, 3.00 A)
&rst
ixpk= 758, nxpk= 20, iat= 222, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 ILE MD1 15 THR HB 6.00 (# 759:20 Unique 4.05, 5.24 A)
&rst
ixpk= 759, nxpk= 20, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 536, 537, 538,
&end
#
# 0 AMB 20-2:760 15 THR HB 6.00 (# 760:20 Single Ambig)
&rst
ixpk= 760, nxpk= 20, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 123, 124, 123, 124,
&end
#
# 0 AMB 20-2:761 15 THR HB 6.00 (# 761:20 Single Ambig)
&rst
ixpk= 761, nxpk= 20, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 533, 534, 204, 205, 210, 211,
&end
#
# 0 AMB 20-2:762 15 THR HB 6.00 (# 762:20 Single Ambig)
&rst
ixpk= 762, nxpk= 20, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 129, 130, 240, 241, 102, 103,
&end
#
# 8 ARG HA 15 THR HB 6.00 (# 763:20 Unique 4.11, 4.33 A)
&rst
ixpk= 763, nxpk= 20, iat= 121, 226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 THR HN 15 THR HB 6.00 (# 764:20 Unique 3.72, 3.78 A)
&rst
ixpk= 764, nxpk= 20, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 TRP HH2 16 TRP HB+ 6.00 (# 766:20 Unique 2.69, 3.38 A)
&rst
ixpk= 766, nxpk= 20, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 240, 241,
&end
#
# 25 TRP HH2 16 TRP HB- 6.00 (# 767:20 Unique 2.69, 3.38 A)
&rst
ixpk= 767, nxpk= 20, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 240, 241,
&end
#
# 16 TRP HD1 16 TRP HB+ 6.00 (# 768:20 Unique 2.81, 3.41 A)
&rst
ixpk= 768, nxpk= 20, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 240, 241,
&end
#
# 16 TRP HN 16 TRP HB+ 6.00 (# 769:20 Unique 2.87, 3.15 A)
&rst
ixpk= 769, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 240, 241,
&end
#
# 16 TRP HN 16 TRP HB- 6.00 (# 770:20 Unique 2.87, 3.15 A)
&rst
ixpk= 770, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 240, 241,
&end
#
# 23 PRO HG- 16 TRP HB+ 6.00 (# 771:20 Unique 2.28, 3.36 A)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 354, 355,
igr2= 240, 241,
&end
#
# 23 PRO HG- 16 TRP HB- 6.00 (# 772:20 Unique 2.28, 3.36 A)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 354, 355,
igr2= 240, 241,
&end
#
# 23 PRO HG+ 16 TRP HB- 6.00 (# 773:20 Unique 2.28, 3.36 A)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 354, 355,
igr2= 240, 241,
&end
#
# 23 PRO HG+ 16 TRP HB+ 6.00 (# 774:20 Unique 2.28, 3.36 A)
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 354, 355,
igr2= 240, 241,
&end
#
# 26 LEU MDY 16 TRP HB+ 6.00 (# 775:20 Unique 2.38, 5.48 A)
&rst
ixpk= 775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 240, 241,
&end
#
# 7 TYR HN 17 SER HA 6.00 (# 777:20 Unique 3.43, 3.49 A)
&rst
ixpk= 777, nxpk= 20, iat= 98, 262, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 PRO HB+ 17 SER HA 6.00 (# 778:20 Unique 4.25, 4.55 A)
&rst
ixpk= 778, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 69, 70,
&end
#
# 6 LYS HG+ 17 SER HA 6.00 (# 779:20 Unique 2.49, 4.69 A)
&rst
ixpk= 779, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 6 LYS HG- 17 SER HA 6.00 (# 780:20 Unique 2.49, 4.69 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 5 PRO HB- 17 SER HA 6.00 (# 781:20 Unique 4.25, 4.55 A)
&rst
ixpk= 781, nxpk= 20, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 69, 70,
&end
#
# 3 THR MG2 17 SER HB- 6.00 (# 782:20 Unique 3.39, 6.63 A)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 38, 39, 40,
igr2= 264, 265,
&end
#
# 0 AMB 20-2:783 17 SER HB- 6.00 (# 783:20 Single Ambig)
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 285, 286, 80, 81,
igr2= 264, 265,
&end
#
# 0 AMB 20-2:784 0 AMB 20-1:784 6.00 (# 784:20 Double Ambig)
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 285, 286, 80, 81,
igr2= 264, 265, 264, 265,
&end
#
# 17 SER HA 17 SER HB- 2.80 (# 785:20 Unique 2.31, 2.55 A)
&rst
ixpk= 785, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 264, 265,
&end
#
# 17 SER HA 17 SER HB+ 3.50 (# 786:20 Unique 2.31, 2.55 A)
&rst
ixpk= 786, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 264, 265,
&end
#
# 0 AMB 20-2:788 0 AMB 20-1:788 6.00 (# 788:20 Double Ambig)
&rst
ixpk= 788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 106, 115, 255,
igr2= 273, 274, 273, 274,
&end
#
# 19 ARG HN 18 GLY HA+ 6.00 (# 789:20 Unique 2.89, 3.31 A)
&rst
ixpk= 789, nxpk= 20, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 273, 274,
&end
#
# 19 ARG HD+ 19 ARG HA 6.00 (# 790:20 Unique 2.18, 3.91 A)
&rst
ixpk= 790, nxpk= 20, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 288, 289,
&end
#
# 20 GLY HA- 19 ARG HA 6.00 (# 791:20 Unique 4.31, 4.51 A)
&rst
ixpk= 791, nxpk= 20, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 304, 305,
&end
#
# 19 ARG HN 19 ARG HA 6.00 (# 792:20 Unique 2.87, 2.96 A)
&rst
ixpk= 792, nxpk= 20, iat= 278, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 ARG HN 19 ARG HB+ 6.00 (# 793:20 Unique 2.45, 3.10 A)
&rst
ixpk= 793, nxpk= 20, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 282, 283,
&end
#
# 20 GLY HN 19 ARG HB+ 6.00 (# 794:20 Unique 2.35, 3.63 A)
&rst
ixpk= 794, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 282, 283,
&end
#
# 19 ARG HN 19 ARG HD+ 6.00 (# 795:20 Unique 3.59, 4.98 A)
&rst
ixpk= 795, nxpk= 20, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 288, 289,
&end
#
# 0 AMB 20-2:797 0 AMB 20-1:797 6.00 (# 797:20 Double Ambig)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 309, 333, 143,
igr2= 319, 320, 319, 320, 288, 289, 129, 130,
&end
#
# 35 ILE MD1 8 ARG HD+ 6.00 (# 798:20 Unique 3.72, 5.30 A)
&rst
ixpk= 798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 536, 537, 538,
igr2= 129, 130,
&end
#
# 35 ILE MD1 8 ARG HD- 6.00 (# 799:20 Unique 3.72, 5.30 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 536, 537, 538,
igr2= 129, 130,
&end
#
# 35 ILE MG2 8 ARG HD+ 6.00 (# 800:20 Unique 5.04, 7.00 A)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 529, 530, 531,
igr2= 129, 130,
&end
#
# 35 ILE MG2 8 ARG HD- 6.00 (# 801:20 Unique 5.04, 7.00 A)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 529, 530, 531,
igr2= 129, 130,
&end
#
# 35 ILE HG1+ 8 ARG HD+ 6.00 (# 802:20 Unique 3.78, 5.33 A)
&rst
ixpk= 802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 129, 130,
&end
#
# 35 ILE HG1+ 8 ARG HD- 6.00 (# 803:20 Unique 3.78, 5.33 A)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 129, 130,
&end
#
# 19 ARG HA 20 GLY HA- 6.00 (# 805:20 Unique 4.31, 4.51 A)
&rst
ixpk= 805, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 304, 305,
&end
#
# 19 ARG HA 20 GLY HA+ 6.00 (# 806:20 Unique 4.31, 4.51 A)
&rst
ixpk= 806, nxpk= 20, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 304, 305,
&end
#
# 0 AMB 20-2:807 0 AMB 20-1:807 6.00 (# 807:20 Double Ambig)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 288, 289, 319, 320,
igr2= 304, 305, 304, 305,
&end
#
# 0 AMB 20-2:808 0 AMB 20-1:808 6.00 (# 808:20 Double Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 282, 283, 313, 314,
igr2= 304, 305, 304, 305,
&end
#
# 0 AMB 20-2:809 20 GLY HA- 6.00 (# 809:20 Single Ambig)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 282, 283, 313, 314,
igr2= 304, 305,
&end
#
# 22 GLN HA 21 ARG HA 6.00 (# 810:20 Unique 4.35, 4.40 A)
&rst
ixpk= 810, nxpk= 20, iat= 335, 311, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 ARG HD+ 21 ARG HA 6.00 (# 811:20 Unique 4.24, 4.56 A)
&rst
ixpk= 811, nxpk= 20, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 319, 320,
&end
#
# 7 TYR HB+ 34 LEU HA 6.00 (# 812:20 Unique 3.30, 4.19 A)
&rst
ixpk= 812, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 21 ARG HD+ 21 ARG HG+ 3.50 (# 813:20 Unique 2.38, 2.69 A)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 319, 320,
igr2= 316, 317,
&end
#
# 22 GLN HA 22 GLN HG+ 6.00 (# 814:20 Unique 2.39, 3.14 A)
&rst
ixpk= 814, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 340, 341,
&end
#
# 22 GLN HA 22 GLN HG- 6.00 (# 815:20 Unique 2.39, 3.14 A)
&rst
ixpk= 815, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 340, 341,
&end
#
# 22 GLN HE2- 22 GLN HG+ 6.00 (# 816:20 Unique 2.24, 3.26 A)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 345, 346,
igr2= 340, 341,
&end
#
# 16 TRP HH2 22 GLN HG- 6.00 (# 817:20 Unique 2.95, 4.74 A)
&rst
ixpk= 817, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 340, 341,
&end
#
# 0 AMB 20-2:818 22 GLN HG- 6.00 (# 818:20 Single Ambig)
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 345, 346, 249,
igr2= 340, 341,
&end
#
# 22 GLN HN 22 GLN HG+ 6.00 (# 819:20 Unique 2.18, 3.34 A)
&rst
ixpk= 819, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 340, 341,
&end
#
# 22 GLN HN 22 GLN HG- 6.00 (# 820:20 Unique 2.18, 3.34 A)
&rst
ixpk= 820, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 340, 341,
&end
#
# 26 LEU HB- 22 GLN HG+ 6.00 (# 821:20 Unique 2.41, 4.47 A)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 402, 403,
igr2= 340, 341,
&end
#
# 26 LEU HB- 22 GLN HG- 6.00 (# 822:20 Unique 2.41, 4.47 A)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 402, 403,
igr2= 340, 341,
&end
#
# 26 LEU MDY 22 GLN HG- 6.00 (# 823:20 Unique 2.25, 5.33 A)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 340, 341,
&end
#
# 26 LEU MDY 22 GLN HG+ 6.00 (# 824:20 Unique 2.25, 5.33 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 340, 341,
&end
#
# 36 GLN HE2- 36 GLN HG+ 6.00 (# 825:20 Unique 2.26, 3.34 A)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 554, 555,
igr2= 549, 550,
&end
#
# 43 LEU MDX 43 LEU HB+ 2.80 (# 838:20 Unique 2.34, 3.35 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 656, 657, 658, 660, 661, 662,
igr2= 651, 652,
&end
#
# 30 PRO HG+ 30 PRO HA 6.00 (# 843:20 Unique 2.74, 3.35 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 454, 455,
&end
#
# 0 AMB 20-2:844 30 PRO HA 6.00 (# 844:20 Single Ambig)
&rst
ixpk= 844, nxpk= 20, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 468, 469, 470, 337, 338,
&end
#
# 26 LEU HG 30 PRO HA 6.00 (# 845:20 Unique 2.55, 4.06 A)
&rst
ixpk= 845, nxpk= 20, iat= 405, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 PRO HD- 30 PRO HB- 6.00 (# 846:20 Unique 2.80, 3.69 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2= 457, 458,
&end
#
# 26 LEU HB+ 30 PRO HB+ 6.00 (# 847:20 Unique 2.36, 6.85 A)
&rst
ixpk= 847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 402, 403,
igr2= 457, 458,
&end
#
# 26 LEU MDX 30 PRO HB+ 6.00 (# 848:20 Unique 2.42, 5.13 A)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 457, 458,
&end
#
# 26 LEU MDX 30 PRO HB- 6.00 (# 849:20 Unique 2.42, 5.13 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 457, 458,
&end
#
# 26 LEU MDY 30 PRO HB+ 6.00 (# 850:20 Unique 2.42, 5.13 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 457, 458,
&end
#
# 26 LEU MDY 30 PRO HB- 6.00 (# 851:20 Unique 2.42, 5.13 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 457, 458,
&end
#
# 26 LEU HG 30 PRO HB+ 6.00 (# 852:20 Unique 2.36, 5.04 A)
&rst
ixpk= 852, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 457, 458,
&end
#
# 26 LEU HB- 30 PRO HB+ 6.00 (# 853:20 Unique 2.36, 6.85 A)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 402, 403,
igr2= 457, 458,
&end
#
# 26 LEU HB- 30 PRO HB- 6.00 (# 854:20 Unique 2.36, 6.85 A)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 402, 403,
igr2= 457, 458,
&end
#
# 31 ALA HN 30 PRO HB+ 6.00 (# 855:20 Unique 2.66, 3.55 A)
&rst
ixpk= 855, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 457, 458,
&end
#
# 31 ALA HN 30 PRO HB- 6.00 (# 856:20 Unique 2.66, 3.55 A)
&rst
ixpk= 856, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 457, 458,
&end
#
# 0 AMB 20-2:857 0 AMB 20-1:857 2.80 (# 857:20 Double Ambig)
&rst
ixpk= 857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 451, 452, 488, 489, 419, 420,
igr2= 454, 455, 159, 160, 454, 455,
&end
#
# 26 LEU HB+ 30 PRO HG- 6.00 (# 858:20 Unique 3.79, 6.26 A)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 402, 403,
igr2= 454, 455,
&end
#
# 26 LEU HB- 30 PRO HG- 6.00 (# 859:20 Unique 3.79, 6.26 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 402, 403,
igr2= 454, 455,
&end
#
# 26 LEU MDX 30 PRO HG- 6.00 (# 860:20 Unique 2.48, 5.18 A)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 454, 455,
&end
#
# 26 LEU MDY 30 PRO HG+ 6.00 (# 861:20 Unique 2.48, 5.18 A)
&rst
ixpk= 861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 454, 455,
&end
#
# 29 ASP HA 30 PRO HG- 6.00 (# 862:20 Unique 4.44, 4.60 A)
&rst
ixpk= 862, nxpk= 20, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 454, 455,
&end
#
# 29 ASP HA 30 PRO HG+ 6.00 (# 863:20 Unique 4.44, 4.60 A)
&rst
ixpk= 863, nxpk= 20, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 454, 455,
&end
#
# 31 ALA HN 30 PRO HG- 6.00 (# 864:20 Unique 3.30, 4.67 A)
&rst
ixpk= 864, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:865 0 AMB 20-1:865 6.00 (# 865:20 Double Ambig)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1= 468, 469, 470, 337, 338, 508, 509,
igr2= 451, 452, 451, 452, 451, 452,
&end
#
# 0 AMB 20-2:866 30 PRO HD- 6.00 (# 866:20 Single Ambig)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 468, 469, 470, 337, 338, 508, 509,
igr2= 451, 452,
&end
#
# 29 ASP HB- 30 PRO HD- 6.00 (# 867:20 Unique 4.61, 4.90 A)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 442, 443,
igr2= 451, 452,
&end
#
# 29 ASP HB- 30 PRO HD+ 6.00 (# 868:20 Unique 4.61, 4.90 A)
&rst
ixpk= 868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 442, 443,
igr2= 451, 452,
&end
#
# 29 ASP HB+ 30 PRO HD+ 6.00 (# 869:20 Unique 4.61, 4.90 A)
&rst
ixpk= 869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 442, 443,
igr2= 451, 452,
&end
#
# 29 ASP HB+ 30 PRO HD- 6.00 (# 870:20 Unique 4.61, 4.90 A)
&rst
ixpk= 870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 442, 443,
igr2= 451, 452,
&end
#
# 30 PRO HA 30 PRO HD- 6.00 (# 871:20 Unique 3.44, 3.68 A)
&rst
ixpk= 871, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 451, 452,
&end
#
# 28 ASN HA 30 PRO HD- 6.00 (# 872:20 Unique 3.87, 5.41 A)
&rst
ixpk= 872, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 451, 452,
&end
#
# 0 AMB 20-2:873 0 AMB 20-1:873 2.20 (# 873:20 Double Ambig)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 508, 509, 468, 469, 470, 173, 174, 175,
igr2= 466, 171,
&end
#
# 0 AMB 20-2:874 0 AMB 20-1:874 6.00 (# 874:20 Double Ambig)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 106, 115, 492, 500,
igr2= 466, 171,
&end
#
# 34 LEU HN 31 ALA HA 6.00 (# 875:20 Unique 3.16, 3.34 A)
&rst
ixpk= 875, nxpk= 20, iat= 504, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE HN 31 ALA HA 6.00 (# 876:20 Unique 3.73, 4.03 A)
&rst
ixpk= 876, nxpk= 20, iat= 484, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ASP HA 31 ALA MB 6.00 (# 877:20 Unique 5.02, 6.09 A)
&rst
ixpk= 877, nxpk= 20, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 468, 469, 470,
&end
#
# 31 ALA MB 32 ALA HA 6.00 (# 878:20 Unique 4.28, 5.00 A)
&rst
ixpk= 878, nxpk= 20, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 468, 469, 470,
&end
#
# 34 LEU HN 32 ALA HA 6.00 (# 879:20 Unique 4.33, 4.58 A)
&rst
ixpk= 879, nxpk= 20, iat= 504, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ASP HB- 32 ALA MB 6.00 (# 880:20 Unique 2.59, 4.93 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 442, 443,
igr2= 478, 479, 480,
&end
#
# 33 PHE HB- 33 PHE HA 6.00 (# 881:20 Unique 2.19, 2.46 A)
&rst
ixpk= 881, nxpk= 20, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 488, 489,
&end
#
# 30 PRO HA 33 PHE HB- 6.00 (# 882:20 Unique 5.09, 6.26 A)
&rst
ixpk= 882, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 25 TRP HZ3 33 PHE HB+ 6.00 (# 883:20 Unique 2.21, 3.48 A)
&rst
ixpk= 883, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 25 TRP HZ3 33 PHE HB- 6.00 (# 884:20 Unique 2.21, 3.48 A)
&rst
ixpk= 884, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 0 AMB 20-2:885 0 AMB 20-1:885 6.00 (# 885:20 Double Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 492, 500, 106, 115,
igr2= 488, 489, 488, 489,
&end
#
# 25 TRP HE3 33 PHE HB+ 6.00 (# 886:20 Unique 3.50, 4.32 A)
&rst
ixpk= 886, nxpk= 20, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 34 LEU HN 33 PHE HB- 6.00 (# 887:20 Unique 3.86, 4.45 A)
&rst
ixpk= 887, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 33 PHE HN 33 PHE HB+ 6.00 (# 888:20 Unique 3.23, 3.56 A)
&rst
ixpk= 888, nxpk= 20, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 8 ARG HN 33 PHE HB- 6.00 (# 889:20 Unique 2.77, 3.63 A)
&rst
ixpk= 889, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 8 ARG HN 33 PHE HB+ 6.00 (# 890:20 Unique 2.77, 3.63 A)
&rst
ixpk= 890, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489,
&end
#
# 26 LEU MDX 33 PHE HB- 6.00 (# 891:20 Unique 3.37, 7.35 A)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 488, 489,
&end
#
# 26 LEU MDY 33 PHE HB- 6.00 (# 893:20 Unique 3.37, 7.35 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 488, 489,
&end
#
# 26 LEU MDX 26 LEU HA 3.50 (# 894:20 Unique 2.14, 3.71 A)
&rst
ixpk= 894, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 407, 408, 409, 411, 412, 413,
&end
#
# 26 LEU HG 26 LEU HA 6.00 (# 895:20 Unique 2.33, 2.90 A)
&rst
ixpk= 895, nxpk= 20, iat= 405, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 ILE HG1+ 34 LEU HA 6.00 (# 896:20 Unique 3.53, 4.46 A)
&rst
ixpk= 896, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 35 ILE HG1- 34 LEU HA 6.00 (# 897:20 Unique 3.53, 4.46 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 26 LEU HN 26 LEU HA 6.00 (# 898:20 Unique 2.82, 2.87 A)
&rst
ixpk= 898, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:899 34 LEU HA 6.00 (# 899:20 Single Ambig)
&rst
ixpk= 899, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 484, 98,
&end
#
# 23 PRO HD+ 23 PRO HG- 6.00 (# 900:20 Unique 2.30, 2.60 A)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 351, 352,
igr2= 354, 355,
&end
#
# 33 PHE HE 34 LEU MDX 6.00 (# 901:20 Unique 4.19, 9.22 A)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 494, 498,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 34 LEU HN 34 LEU MDX 6.00 (# 902:20 Unique 3.91, 5.06 A)
&rst
ixpk= 902, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 43 LEU HA 43 LEU MDY 3.50 (# 903:20 Unique 2.20, 3.80 A)
&rst
ixpk= 903, nxpk= 20, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 656, 657, 658, 660, 661, 662,
&end
#
# 35 ILE HB 35 ILE HG1- 2.80 (# 904:20 Unique 2.53, 2.80 A)
&rst
ixpk= 904, nxpk= 20, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 533, 534,
&end
#
# 7 TYR HA 35 ILE HG1- 6.00 (# 905:20 Unique 2.41, 3.32 A)
&rst
ixpk= 905, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 7 TYR HA 35 ILE HG1+ 6.00 (# 906:20 Unique 2.41, 3.32 A)
&rst
ixpk= 906, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 36 GLN HN 35 ILE HG1+ 6.00 (# 907:20 Unique 4.34, 4.80 A)
&rst
ixpk= 907, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 36 GLN HN 35 ILE HG1- 6.00 (# 908:20 Unique 4.34, 4.80 A)
&rst
ixpk= 908, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 8 ARG HN 35 ILE HG1- 6.00 (# 909:20 Unique 2.83, 3.51 A)
&rst
ixpk= 909, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 8 ARG HN 35 ILE HG1+ 6.00 (# 910:20 Unique 2.83, 3.51 A)
&rst
ixpk= 910, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 7 TYR HA 35 ILE MD1 6.00 (# 911:20 Unique 3.64, 4.41 A)
&rst
ixpk= 911, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 536, 537, 538,
&end
#
# 8 ARG HA 35 ILE MD1 6.00 (# 912:20 Unique 4.11, 5.35 A)
&rst
ixpk= 912, nxpk= 20, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 536, 537, 538,
&end
#
# 7 TYR HN 35 ILE MD1 6.00 (# 913:20 Unique 3.31, 4.10 A)
&rst
ixpk= 913, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 536, 537, 538,
&end
#
# 22 GLN HG+ 22 GLN HA 6.00 (# 914:20 Unique 2.39, 3.14 A)
&rst
ixpk= 914, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 340, 341,
&end
#
# 16 TRP HZ2 22 GLN HA 6.00 (# 915:20 Unique 3.28, 3.56 A)
&rst
ixpk= 915, nxpk= 20, iat= 249, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 GLN HN 22 GLN HA 6.00 (# 916:20 Unique 2.81, 2.86 A)
&rst
ixpk= 916, nxpk= 20, iat= 333, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 ILE HA 36 GLN HG+ 6.00 (# 917:20 Unique 3.61, 4.62 A)
&rst
ixpk= 917, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 549, 550,
&end
#
# 34 LEU HA 36 GLN HG+ 6.00 (# 918:20 Unique 4.67, 6.34 A)
&rst
ixpk= 918, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 549, 550,
&end
#
# 38 ASP HN 37 PRO HA 6.00 (# 919:20 Unique 2.13, 2.81 A)
&rst
ixpk= 919, nxpk= 20, iat= 573, 569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 PRO HB+ 37 PRO HA 3.50 (# 920:20 Unique 2.28, 2.56 A)
&rst
ixpk= 920, nxpk= 20, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 566, 567,
&end
#
# 37 PRO HB- 37 PRO HA 6.00 (# 921:20 Unique 2.28, 2.56 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 566, 567,
&end
#
# 0 AMB 20-2:922 0 AMB 20-1:922 6.00 (# 922:20 Double Ambig)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 374, 387,
igr2= 357, 358, 357, 358,
&end
#
# 9 ASP HA 10 PRO HG+ 6.00 (# 923:20 Unique 4.35, 4.52 A)
&rst
ixpk= 923, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 159, 160,
&end
#
# 9 ASP HA 10 PRO HG- 6.00 (# 924:20 Unique 4.35, 4.52 A)
&rst
ixpk= 924, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 159, 160,
&end
#
# 11 ALA HN 10 PRO HD+ 6.00 (# 925:20 Unique 2.71, 3.44 A)
&rst
ixpk= 925, nxpk= 20, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 156, 157,
&end
#
# 37 PRO HA 38 ASP HB+ 6.00 (# 926:20 Unique 4.29, 4.77 A)
&rst
ixpk= 926, nxpk= 20, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 577, 578,
&end
#
# 37 PRO HA 38 ASP HB- 6.00 (# 927:20 Unique 4.29, 4.77 A)
&rst
ixpk= 927, nxpk= 20, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 577, 578,
&end
#
# 32 ALA MB 29 ASP HB- 6.00 (# 928:20 Unique 2.59, 4.93 A)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 478, 479, 480,
igr2= 442, 443,
&end
#
# 39 LEU HN 38 ASP HB- 6.00 (# 929:20 Unique 2.86, 3.94 A)
&rst
ixpk= 929, nxpk= 20, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 577, 578,
&end
#
# 40 PRO HD+ 39 LEU HA 3.50 (# 930:20 Unique 2.12, 2.47 A)
&rst
ixpk= 930, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 605, 606,
&end
#
# 40 PRO HD- 39 LEU HA 3.50 (# 931:20 Unique 2.12, 2.47 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 605, 606,
&end
#
# 39 LEU HN 39 LEU HA 6.00 (# 932:20 Unique 2.90, 2.93 A)
&rst
ixpk= 932, nxpk= 20, iat= 585, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:933 39 LEU HG 6.00 (# 933:20 Single Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 587, 575,
&end
#
# 43 LEU HB+ 40 PRO HA 6.00 (# 934:20 Unique 5.23, 6.55 A)
&rst
ixpk= 934, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 651, 652,
&end
#
# 0 AMB 20-2:935 0 AMB 20-1:935 6.00 (# 935:20 Double Ambig)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 634, 635, 636, 641, 642, 643,
igr2= 611, 612, 611, 612,
&end
#
# 0 AMB 20-2:936 0 AMB 20-1:936 6.00 (# 936:20 Double Ambig)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 651, 652, 589, 590, 651, 652,
igr2= 566, 567, 566, 567, 611, 612,
&end
#
# 36 GLN HN 37 PRO HD+ 6.00 (# 937:20 Unique 4.75, 4.97 A)
&rst
ixpk= 937, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 560, 561,
&end
#
# 36 GLN HN 37 PRO HD- 6.00 (# 938:20 Unique 4.75, 4.97 A)
&rst
ixpk= 938, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 560, 561,
&end
#
# 38 ASP HN 37 PRO HD+ 6.00 (# 939:20 Unique 2.78, 4.43 A)
&rst
ixpk= 939, nxpk= 20, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 560, 561,
&end
#
# 38 ASP HN 37 PRO HD- 6.00 (# 940:20 Unique 2.78, 4.43 A)
&rst
ixpk= 940, nxpk= 20, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 560, 561,
&end
#
# 0 AMB 20-2:941 41 ALA HA 6.00 (# 941:20 Single Ambig)
&rst
ixpk= 941, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 641, 642, 643, 634, 635, 636, 656, 657, 658, 660,
661, 662,
&end
#
# 43 LEU HB+ 42 ILE HA 6.00 (# 943:20 Unique 4.51, 4.95 A)
&rst
ixpk= 943, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 651, 652,
&end
#
# 0 AMB 20-2:944 42 ILE HB 6.00 (# 944:20 Single Ambig)
&rst
ixpk= 944, nxpk= 20, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 647, 666,
&end
#
# 42 ILE HA 42 ILE HG1- 6.00 (# 945:20 Unique 2.65, 3.52 A)
&rst
ixpk= 945, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 638, 639,
&end
#
# 43 LEU HB- 43 LEU HA 2.80 (# 946:20 Unique 2.47, 2.78 A)
&rst
ixpk= 946, nxpk= 20, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 651, 652,
&end
#
# 0 AMB 20-2:947 43 LEU HA 2.80 (# 947:20 Single Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 651, 652, 654,
&end
#
# 43 LEU HA 43 LEU HG 6.00 (# 948:20 Unique 2.47, 3.22 A)
&rst
ixpk= 948, nxpk= 20, iat= 649, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE HE 34 LEU HG 6.00 (# 954:20 Unique 4.19, 7.57 A)
&rst
ixpk= 954, nxpk= 20, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 494, 498,
&end
#
# 37 PRO HD+ 36 GLN HA 6.00 (# 955:20 Unique 2.06, 2.47 A)
&rst
ixpk= 955, nxpk= 20, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 560, 561,
&end
#
# 36 GLN HB+ 36 GLN HA 6.00 (# 956:20 Unique 2.39, 2.66 A)
&rst
ixpk= 956, nxpk= 20, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 546, 547,
&end
#
# 18 GLY HA+ 6 LYS HD+ 6.00 (# 957:20 Unique 2.58, 4.05 A)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 273, 274,
igr2= 86, 87,
&end
#
# 0 AMB 20-2:958 0 AMB 20-1:958 6.00 (# 958:20 Double Ambig)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 311, 360,
igr2= 337, 338, 337, 338,
&end
#
# 0 AMB 20-2:959 0 AMB 20-1:959 6.00 (# 959:20 Double Ambig)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 262, 78,
igr2= 86, 87, 86, 87,
&end
#
# 9 ASP HN 8 ARG HB+ 6.00 (# 960:20 Unique 4.25, 4.35 A)
&rst
ixpk= 960, nxpk= 20, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 123, 124,
&end
#
# 9 ASP HN 8 ARG HB- 6.00 (# 961:20 Unique 4.25, 4.35 A)
&rst
ixpk= 961, nxpk= 20, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 123, 124,
&end
#
# 26 LEU MDY 26 LEU HB- 6.00 (# 962:20 Unique 2.30, 3.37 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 402, 403,
&end
#
# 26 LEU MDX 26 LEU HB+ 3.50 (# 963:20 Unique 2.30, 3.37 A)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 402, 403,
&end
#
# 30 PRO HB- 26 LEU HB- 6.00 (# 964:20 Unique 2.36, 6.85 A)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 457, 458,
igr2= 402, 403,
&end
#
# 30 PRO HA 26 LEU HB- 8.00 (# 965:20 Unique 4.19, 5.73 A)
&rst
ixpk= 965, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 402, 403,
&end
#
# 26 LEU HN 26 LEU HB+ 6.00 (# 966:20 Unique 2.06, 2.54 A)
&rst
ixpk= 966, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 402, 403,
&end
#
# 26 LEU HN 26 LEU HB- 6.00 (# 967:20 Unique 2.06, 2.54 A)
&rst
ixpk= 967, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 402, 403,
&end
#
# 22 GLN HE2- 26 LEU HB+ 6.00 (# 968:20 Unique 2.51, 4.87 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 345, 346,
igr2= 402, 403,
&end
#
# 22 GLN HE2- 26 LEU HB- 6.00 (# 969:20 Unique 2.51, 4.87 A)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 345, 346,
igr2= 402, 403,
&end
#
# 22 GLN HE2+ 26 LEU HB+ 6.00 (# 970:20 Unique 2.51, 4.87 A)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 345, 346,
igr2= 402, 403,
&end
#
# 22 GLN HE2+ 26 LEU HB- 6.00 (# 971:20 Unique 2.51, 4.87 A)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 345, 346,
igr2= 402, 403,
&end
#
# 27 GLY HN 26 LEU HB- 6.00 (# 972:20 Unique 2.43, 3.56 A)
&rst
ixpk= 972, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 402, 403,
&end
#
# 27 GLY HN 26 LEU HB+ 6.00 (# 973:20 Unique 2.43, 3.56 A)
&rst
ixpk= 973, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 402, 403,
&end
#
# 9 ASP HA 10 PRO HD+ 2.80 (# 974:20 Unique 2.13, 2.40 A)
&rst
ixpk= 974, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 156, 157,
&end
#
# 9 ASP HA 10 PRO HD- 2.20 (# 975:20 Unique 2.13, 2.40 A)
&rst
ixpk= 975, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 156, 157,
&end
#
# 0 AMB 20-2:976 0 AMB 20-1:976 6.00 (# 976:20 Double Ambig)
&rst
ixpk= 976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 351, 352, 546, 547,
igr2= 360, 525,
&end
#
# 23 PRO HG+ 23 PRO HA 6.00 (# 977:20 Unique 2.90, 3.74 A)
&rst
ixpk= 977, nxpk= 20, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 354, 355,
&end
#
# 26 LEU MDY 23 PRO HB- 6.00 (# 978:20 Unique 2.42, 6.58 A)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 357, 358,
&end
#
# 0 AMB 20-2:979 23 PRO HB- 6.00 (# 979:20 Single Ambig)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 374, 387,
igr2= 357, 358,
&end
#
# 25 TRP HD1 23 PRO HB- 6.00 (# 980:20 Unique 2.87, 3.81 A)
&rst
ixpk= 980, nxpk= 20, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 357, 358,
&end
#
# 25 TRP HE1 23 PRO HB- 6.00 (# 981:20 Unique 2.58, 3.07 A)
&rst
ixpk= 981, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 357, 358,
&end
#
# 26 LEU MDY 23 PRO HG+ 6.00 (# 982:20 Unique 2.60, 5.37 A)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 354, 355,
&end
#
# 26 LEU MDY 23 PRO HG- 6.00 (# 983:20 Unique 2.60, 5.37 A)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 407, 408, 409, 411, 412, 413,
igr2= 354, 355,
&end
#
# 22 GLN HA 23 PRO HG+ 6.00 (# 984:20 Unique 4.27, 4.53 A)
&rst
ixpk= 984, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 354, 355,
&end
#
# 23 PRO HA 23 PRO HG+ 6.00 (# 985:20 Unique 2.90, 3.74 A)
&rst
ixpk= 985, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 354, 355,
&end
#
# 16 TRP HB+ 23 PRO HG- 6.00 (# 986:20 Unique 2.28, 3.36 A)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 240, 241,
igr2= 354, 355,
&end
#
# 16 TRP HB- 23 PRO HG- 6.00 (# 987:20 Unique 2.28, 3.36 A)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 240, 241,
igr2= 354, 355,
&end
#
# 25 TRP HE1 23 PRO HG+ 6.00 (# 988:20 Unique 2.92, 3.79 A)
&rst
ixpk= 988, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 354, 355,
&end
#
# 0 AMB 20-2:989 0 AMB 20-1:989 6.00 (# 989:20 Double Ambig)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 402, 403, 354, 355,
igr2= 351, 352, 351, 352,
&end
#
# 22 GLN HA 23 PRO HD- 6.00 (# 990:20 Unique 2.09, 2.38 A)
&rst
ixpk= 990, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 351, 352,
&end
#
# 23 PRO HB+ 23 PRO HD+ 6.00 (# 991:20 Unique 2.83, 3.70 A)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 357, 358,
igr2= 351, 352,
&end
#
# 25 TRP HN 24 ALA HA 6.00 (# 992:20 Unique 3.55, 3.59 A)
&rst
ixpk= 992, nxpk= 20, iat= 374, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 GLY HN 24 ALA HA 6.00 (# 993:20 Unique 3.64, 4.13 A)
&rst
ixpk= 993, nxpk= 20, iat= 417, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 24 ALA HA 6.00 (# 994:20 Unique 3.70, 4.03 A)
&rst
ixpk= 994, nxpk= 20, iat= 398, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ALA HN 24 ALA HA 6.00 (# 995:20 Unique 2.78, 2.81 A)
&rst
ixpk= 995, nxpk= 20, iat= 364, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ALA MB 25 TRP HA 6.00 (# 997:20 Unique 4.33, 5.00 A)
&rst
ixpk= 997, nxpk= 20, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 368, 369, 370,
&end
#
# 0 AMB 20-2:999 0 AMB 20-1:999 6.00 (# 999:20 Double Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 374, 492, 500,
igr2= 378, 379, 378, 379,
&end
#
# 25 TRP HH2 25 TRP HB- 6.00 (# 1000:20 Unique 6.41, 6.88 A)
&rst
ixpk= 1000, nxpk= 20, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 378, 379,
&end
#
# 0 AMB 20-2:1001 0 AMB 20-1:1001 6.00 (# 1001:20 Double Ambig)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 337, 338, 351, 352, 340, 341,
igr2= 402, 403, 402, 403, 402, 403,
&end
#
# 0 AMB 20-2:1002 26 LEU HB- 6.00 (# 1002:20 Single Ambig)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 351, 352, 340, 341,
igr2= 402, 403,
&end
#
# 30 PRO HG- 26 LEU HB+ 6.00 (# 1003:20 Unique 3.79, 6.26 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 454, 455,
igr2= 402, 403,
&end
#
# 29 ASP HN 27 GLY HA+ 6.00 (# 1004:20 Unique 3.30, 5.10 A)
&rst
ixpk= 1004, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 419, 420,
&end
#
# 29 ASP HN 27 GLY HA- 6.00 (# 1005:20 Unique 3.30, 5.10 A)
&rst
ixpk= 1005, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 419, 420,
&end
#
# 28 ASN HB+ 28 ASN HA 6.00 (# 1006:20 Unique 2.33, 2.65 A)
&rst
ixpk= 1006, nxpk= 20, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 428, 429,
&end
#
# 28 ASN HD2+ 28 ASN HB+ 6.00 (# 1007:20 Unique 2.22, 3.25 A)
&rst
ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 433, 434,
igr2= 428, 429,
&end
#
# 28 ASN HD2- 28 ASN HB+ 6.00 (# 1008:20 Unique 2.22, 3.25 A)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 433, 434,
igr2= 428, 429,
&end
#
# 28 ASN HD2- 28 ASN HB- 6.00 (# 1009:20 Unique 2.22, 3.25 A)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 433, 434,
igr2= 428, 429,
&end
#
# 29 ASP HN 28 ASN HB+ 6.00 (# 1010:20 Unique 2.23, 3.47 A)
&rst
ixpk= 1010, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 428, 429,
&end
#
# 29 ASP HN 28 ASN HB- 6.00 (# 1011:20 Unique 2.23, 3.47 A)
&rst
ixpk= 1011, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 428, 429,
&end
#
# 29 ASP HB- 29 ASP HA 3.50 (# 1013:20 Unique 2.42, 2.74 A)
&rst
ixpk= 1013, nxpk= 20, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 442, 443,
&end
#
# 29 ASP HB+ 29 ASP HA 6.00 (# 1014:20 Unique 2.42, 2.74 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 442, 443,
&end
#
# 30 PRO HD- 29 ASP HA 2.80 (# 1015:20 Unique 2.22, 2.43 A)
&rst
ixpk= 1015, nxpk= 20, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 451, 452,
&end
#
# 30 PRO HD+ 29 ASP HA 2.20 (# 1016:20 Unique 2.22, 2.43 A)
&rst
ixpk= 1016, nxpk= 20, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 451, 452,
&end
#
# 29 ASP HN 29 ASP HA 6.00 (# 1017:20 Unique 2.88, 2.94 A)
&rst
ixpk= 1017, nxpk= 20, iat= 438, 440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 PRO HD- 29 ASP HB+ 6.00 (# 1018:20 Unique 4.61, 4.90 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2= 442, 443,
&end
#
# 30 PRO HD- 29 ASP HB- 6.00 (# 1019:20 Unique 4.61, 4.90 A)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2= 442, 443,
&end
#
# 0 AMB 20-2:1020 29 ASP HB- 6.00 (# 1020:20 Single Ambig)
&rst
ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 451, 452, 419, 420, 488, 489,
igr2= 442, 443,
&end
#
# 0 AMB 20-2:1021 0 AMB 20-1:1021 6.00 (# 1021:20 Double Ambig)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 451, 452, 419, 420, 488, 489,
igr2= 442, 443, 442, 443, 442, 443,
&end
#
# 0 AMB 20-2:1024 0 AMB 20-1:1024 6.00 (# 1024:20 Double Ambig)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 102, 103, 240, 241,
igr2= 80, 81, 80, 81,
&end
#
# 5 PRO HD- 5 PRO HB+ 6.00 (# 1025:20 Unique 2.81, 3.68 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 63, 64,
igr2= 69, 70,
&end
#
# 35 ILE MD1 5 PRO HB+ 6.00 (# 1026:20 Unique 2.35, 3.67 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 536, 537, 538,
igr2= 69, 70,
&end
#
# 7 TYR HN 5 PRO HB- 6.00 (# 1027:20 Unique 2.76, 3.74 A)
&rst
ixpk= 1027, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 7 TYR HN 5 PRO HB+ 6.00 (# 1028:20 Unique 2.76, 3.74 A)
&rst
ixpk= 1028, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 16 TRP HN 5 PRO HB+ 6.00 (# 1029:20 Unique 3.10, 3.73 A)
&rst
ixpk= 1029, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 16 TRP HN 5 PRO HB- 6.00 (# 1030:20 Unique 3.10, 3.73 A)
&rst
ixpk= 1030, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 24 ALA HN 23 PRO HB+ 6.00 (# 1031:20 Unique 2.74, 3.24 A)
&rst
ixpk= 1031, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 357, 358,
&end
#
# 11 ALA HN 10 PRO HB+ 6.00 (# 1032:20 Unique 3.05, 4.07 A)
&rst
ixpk= 1032, nxpk= 20, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 162, 163,
&end
#
# 14 LYS HB- 14 LYS HD+ 6.00 (# 1033:20 Unique 2.39, 2.84 A)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 204, 205,
igr2= 210, 211,
&end
#
# 7 TYR HN 7 TYR HA 6.00 (# 1034:20 Unique 2.98, 2.99 A)
&rst
ixpk= 1034, nxpk= 20, iat= 98, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HN 11 ALA HA 6.00 (# 1036:20 Unique 3.50, 3.56 A)
&rst
ixpk= 1036, nxpk= 20, iat= 179, 171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PRO HB- 11 ALA HA 6.00 (# 1037:20 Unique 4.07, 4.99 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 162, 163,
&end
#
# 12 THR MG2 11 ALA HA 6.00 (# 1038:20 Unique 4.48, 5.30 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 185, 186, 187,
&end
#
# 12 THR MG2 12 THR HB 2.20 (# 1039:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1039, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 185, 186, 187,
&end
#
# 14 LYS HG- 12 THR HB 6.00 (# 1040:20 Unique 2.85, 4.09 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 207, 208,
&end
#
# 13 GLY HN 12 THR HB 6.00 (# 1041:20 Unique 3.99, 4.19 A)
&rst
ixpk= 1041, nxpk= 20, iat= 193, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 LYS HN 14 LYS HD- 6.00 (# 1042:20 Unique 3.87, 4.40 A)
&rst
ixpk= 1042, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 210, 211,
&end
#
# 0 AMB 20-2:1043 20 GLY HA- 6.00 (# 1043:20 Single Ambig)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 288, 289, 319, 320,
igr2= 304, 305,
&end
#
# 26 LEU MDX 26 LEU HG 6.00 (# 1044:20 Unique 2.38, 2.65 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 407, 408, 409, 411, 412, 413,
&end
#
# 26 LEU HB- 26 LEU HG 6.00 (# 1045:20 Unique 2.33, 2.68 A)
&rst
ixpk= 1045, nxpk= 20, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 402, 403,
&end
#
# 26 LEU HB+ 26 LEU HG 6.00 (# 1046:20 Unique 2.33, 2.68 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 402, 403,
&end
#
# 26 LEU HA 26 LEU HG 6.00 (# 1047:20 Unique 2.33, 2.90 A)
&rst
ixpk= 1047, nxpk= 20, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 26 LEU HG 6.00 (# 1048:20 Unique 4.00, 4.37 A)
&rst
ixpk= 1048, nxpk= 20, iat= 398, 405, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU HA 34 LEU HG 6.00 (# 1049:20 Unique 2.38, 2.49 A)
&rst
ixpk= 1049, nxpk= 20, iat= 506, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU HA 35 ILE HB 6.00 (# 1050:20 Unique 4.59, 4.68 A)
&rst
ixpk= 1050, nxpk= 20, iat= 506, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 LYS HA 35 ILE HB 6.00 (# 1051:20 Unique 2.76, 3.11 A)
&rst
ixpk= 1051, nxpk= 20, iat= 78, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HN 35 ILE HB 6.00 (# 1052:20 Unique 4.54, 4.87 A)
&rst
ixpk= 1052, nxpk= 20, iat= 98, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 PRO HD- 37 PRO HB- 3.50 (# 1053:20 Unique 2.73, 3.67 A)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 560, 561,
igr2= 566, 567,
&end
#
# 39 LEU HA 39 LEU MDY 3.50 (# 1054:20 Unique 2.19, 3.95 A)
&rst
ixpk= 1054, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 13 GLY HA- 8 ARG HG+ 6.00 (# 1058:20 Unique 2.98, 4.07 A)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 195, 196,
igr2= 126, 127,
&end
#
# 13 GLY HA- 8 ARG HG- 6.00 (# 1059:20 Unique 2.98, 4.07 A)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 195, 196,
igr2= 126, 127,
&end
#
# 0 AMB 20-2:1062 40 PRO HD- 6.00 (# 1062:20 Single Ambig)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 585, 628,
igr2= 605, 606,
&end
#
# 0 AMB 20-2:1063 0 AMB 20-1:1063 6.00 (# 1063:20 Double Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 585, 628,
igr2= 605, 606, 605, 606,
&end
#
# 14 LYS HD- 12 THR HB 6.00 (# 1071:20 Unique 3.59, 5.04 A)
&rst
ixpk= 1071, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 210, 211,
&end
#
# 5 PRO HA 5 PRO HD+ 6.00 (# 1072:20 Unique 3.43, 3.81 A)
&rst
ixpk= 1072, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 63, 64,
&end
#
# 5 PRO HA 5 PRO HD- 6.00 (# 1073:20 Unique 3.43, 3.81 A)
&rst
ixpk= 1073, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 63, 64,
&end
#
# 33 PHE HE 34 LEU MDY 6.00 (# 1077:20 Unique 4.19, 9.22 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 494, 498,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 0 AMB 20-2:1078 34 LEU MDY 6.00 (# 1078:20 Single Ambig)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 106, 115, 492, 500,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 34 LEU HN 34 LEU MDY 6.00 (# 1079:20 Unique 3.91, 5.06 A)
&rst
ixpk= 1079, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 35 ILE HN 34 LEU MDY 6.00 (# 1080:20 Unique 2.26, 4.60 A)
&rst
ixpk= 1080, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 16 TRP HZ2 18 GLY HA+ 6.00 (# 1081:20 Unique 2.82, 3.89 A)
&rst
ixpk= 1081, nxpk= 20, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 273, 274,
&end
#
# 41 ALA HN 0 AMB 20-1:1082 6.00 (# 1082:20 Single Ambig)
&rst
ixpk= 1082, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 611, 612, 566, 567,
&end
#
# 41 ALA HN 0 AMB 20-1:1083 6.00 (# 1083:20 Single Ambig)
&rst
ixpk= 1083, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 611, 612, 566, 567,
&end
#
# 40 PRO HD+ 40 PRO HB+ 6.00 (# 1084:20 Unique 2.84, 3.68 A)
&rst
ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 605, 606,
igr2= 611, 612,
&end
#
# 40 PRO HD- 40 PRO HB+ 6.00 (# 1085:20 Unique 2.84, 3.68 A)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 605, 606,
igr2= 611, 612,
&end
#
# 37 PRO HA 37 PRO HB+ 2.80 (# 1086:20 Unique 2.28, 2.56 A)
&rst
ixpk= 1086, nxpk= 20, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 566, 567,
&end
#
# 37 PRO HA 37 PRO HB- 6.00 (# 1087:20 Unique 2.28, 2.56 A)
&rst
ixpk= 1087, nxpk= 20, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 566, 567,
&end
#
# 0 AMB 20-2:1088 43 LEU MDY 6.00 (# 1088:20 Single Ambig)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 651, 652, 654, 589, 590,
igr2= 656, 657, 658, 660, 661, 662,
&end
#
# 0 AMB 20-2:1089 0 AMB 20-1:1089 6.00 (# 1089:20 Double Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 108, 113, 253, 496,
igr2= 102, 103, 102, 103, 102, 103,
&end
#
# 0 AMB 20-2:1090 7 TYR HB- 6.00 (# 1090:20 Single Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 108, 113, 253, 496,
igr2= 102, 103,
&end
#
# 39 LEU HN 40 PRO HA 6.00 (# 1091:20 Unique 4.55, 4.95 A)
&rst
ixpk= 1091, nxpk= 20, iat= 585, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1092 3 THR MG2 6.00 (# 1092:20 Single Ambig)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 25, 26, 264, 265,
igr2= 38, 39, 40,
&end
#
# 5 PRO HD- 5 PRO HG+ 2.80 (# 1093:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 63, 64,
igr2= 66, 67,
&end
#
# 7 TYR HN 5 PRO HG+ 6.00 (# 1094:20 Unique 4.80, 5.53 A)
&rst
ixpk= 1094, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 66, 67,
&end
#
# 41 ALA HN 0 AMB 20-1:1095 6.00 (# 1095:20 Single Ambig)
&rst
ixpk= 1095, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 608, 609, 563, 564,
&end
#
# 0 AMB 20-2:1096 6 LYS HA 6.00 (# 1096:20 Single Ambig)
&rst
ixpk= 1096, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 102, 103, 240, 241, 129, 130, 488, 489,
&end
#
# 6 LYS HE+ 6 LYS HA 6.00 (# 1097:20 Unique 4.26, 5.26 A)
&rst
ixpk= 1097, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 89, 90,
&end
#
# 5 PRO HA 6 LYS HB+ 6.00 (# 1098:20 Unique 4.13, 4.51 A)
&rst
ixpk= 1098, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 80, 81,
&end
#
# 17 SER HB+ 6 LYS HB+ 6.00 (# 1099:20 Unique 3.94, 4.84 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 264, 265,
igr2= 80, 81,
&end
#
# 18 GLY HA+ 6 LYS HB+ 6.00 (# 1100:20 Unique 3.75, 4.82 A)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 273, 274,
igr2= 80, 81,
&end
#
# 6 LYS HN 6 LYS HG+ 6.00 (# 1101:20 Unique 3.10, 4.48 A)
&rst
ixpk= 1101, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 83, 84,
&end
#
# 6 LYS HN 6 LYS HG- 6.00 (# 1102:20 Unique 3.10, 4.48 A)
&rst
ixpk= 1102, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 83, 84,
&end
#
# 7 TYR HN 6 LYS HG+ 6.00 (# 1103:20 Unique 4.19, 4.68 A)
&rst
ixpk= 1103, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:1104 0 AMB 20-1:1104 6.00 (# 1104:20 Double Ambig)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 98, 618,
igr2= 83, 84, 594, 595, 596, 598, 599, 600,
&end
#
# 16 TRP HH2 6 LYS HE+ 6.00 (# 1105:20 Unique 6.23, 6.95 A)
&rst
ixpk= 1105, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 89, 90,
&end
#
# 35 ILE MD1 7 TYR HA 6.00 (# 1106:20 Unique 3.64, 4.41 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 536, 537, 538,
&end
#
# 7 TYR HA 8 ARG HA 6.00 (# 1107:20 Unique 4.49, 4.53 A)
&rst
ixpk= 1107, nxpk= 20, iat= 100, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 TRP HE3 9 ASP HA 3.50 (# 1108:20 Unique 3.53, 3.57 A)
&rst
ixpk= 1108, nxpk= 20, iat= 393, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HH2 9 ASP HB- 6.00 (# 1109:20 Unique 4.15, 4.72 A)
&rst
ixpk= 1109, nxpk= 20, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 147, 148,
&end
#
# 11 ALA MB 10 PRO HA 6.00 (# 1110:20 Unique 5.69, 6.08 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 173, 174, 175,
&end
#
# 8 ARG HD+ 10 PRO HA 6.00 (# 1111:20 Unique 5.13, 6.16 A)
&rst
ixpk= 1111, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 129, 130,
&end
#
# 13 GLY HA- 10 PRO HA 6.00 (# 1112:20 Unique 4.05, 4.99 A)
&rst
ixpk= 1112, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 195, 196,
&end
#
# 12 THR HN 10 PRO HA 6.00 (# 1113:20 Unique 4.14, 4.50 A)
&rst
ixpk= 1113, nxpk= 20, iat= 179, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HN 12 THR HB 6.00 (# 1114:20 Unique 3.78, 3.81 A)
&rst
ixpk= 1114, nxpk= 20, iat= 179, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1115 12 THR HB 6.00 (# 1115:20 Single Ambig)
&rst
ixpk= 1115, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 171, 165, 156, 157,
&end
#
# 14 LYS HN 12 THR MG2 6.00 (# 1116:20 Unique 4.86, 5.48 A)
&rst
ixpk= 1116, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 185, 186, 187,
&end
#
# 15 THR HA 14 LYS HA 6.00 (# 1117:20 Unique 4.45, 4.49 A)
&rst
ixpk= 1117, nxpk= 20, iat= 224, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ASP HN 14 LYS HA 6.00 (# 1118:20 Unique 4.83, 4.90 A)
&rst
ixpk= 1118, nxpk= 20, iat= 143, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ASP HB+ 14 LYS HB- 6.00 (# 1119:20 Unique 2.33, 3.58 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 147, 148,
igr2= 204, 205,
&end
#
# 9 ASP HB+ 14 LYS HB+ 6.00 (# 1120:20 Unique 2.33, 3.58 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 147, 148,
igr2= 204, 205,
&end
#
# 15 THR HN 14 LYS HB- 6.00 (# 1121:20 Unique 2.81, 3.44 A)
&rst
ixpk= 1121, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 204, 205,
&end
#
# 25 TRP HZ2 14 LYS HB+ 6.00 (# 1122:20 Unique 2.96, 3.56 A)
&rst
ixpk= 1122, nxpk= 20, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 204, 205,
&end
#
# 14 LYS HE+ 14 LYS HB+ 6.00 (# 1123:20 Unique 2.26, 4.50 A)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 213, 214,
igr2= 204, 205,
&end
#
# 14 LYS HE+ 14 LYS HB- 6.00 (# 1124:20 Unique 2.26, 4.50 A)
&rst
ixpk= 1124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 213, 214,
igr2= 204, 205,
&end
#
# 9 ASP HB+ 14 LYS HG- 6.00 (# 1125:20 Unique 3.78, 5.27 A)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 147, 148,
igr2= 207, 208,
&end
#
# 9 ASP HB+ 14 LYS HG+ 6.00 (# 1126:20 Unique 3.78, 5.27 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 147, 148,
igr2= 207, 208,
&end
#
# 15 THR HN 14 LYS HG- 6.00 (# 1127:20 Unique 3.85, 4.41 A)
&rst
ixpk= 1127, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 207, 208,
&end
#
# 15 THR HN 14 LYS HG+ 6.00 (# 1128:20 Unique 3.85, 4.41 A)
&rst
ixpk= 1128, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 207, 208,
&end
#
# 6 LYS HG- 18 GLY HA+ 6.00 (# 1129:20 Unique 4.75, 5.88 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 83, 84,
igr2= 273, 274,
&end
#
# 19 ARG HG+ 19 ARG HB+ 2.80 (# 1130:20 Unique 2.39, 2.70 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 285, 286,
igr2= 282, 283,
&end
#
# 23 PRO HD+ 22 GLN HB+ 6.00 (# 1131:20 Unique 2.26, 4.05 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 351, 352,
igr2= 337, 338,
&end
#
# 23 PRO HD+ 22 GLN HB- 6.00 (# 1132:20 Unique 2.26, 4.05 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 351, 352,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:1133 0 AMB 20-1:1133 6.00 (# 1133:20 Double Ambig)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.33, r4=13.83,
igr1= 240, 241, 319, 320, 102, 103, 102, 103, 288, 289,
igr2= 337, 338, 337, 338, 86, 87, 86, 87, 337, 338,
86, 87,
&end
#
# 27 GLY HN 25 TRP HA 6.00 (# 1136:20 Unique 3.59, 4.05 A)
&rst
ixpk= 1136, nxpk= 20, iat= 417, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1137 26 LEU HA 6.00 (# 1137:20 Single Ambig)
&rst
ixpk= 1137, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 419, 420, 451, 452,
&end
#
# 25 TRP HB+ 26 LEU HA 6.00 (# 1138:20 Unique 4.27, 5.13 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 378, 379,
&end
#
# 0 AMB 20-2:1139 26 LEU HA 6.00 (# 1139:20 Single Ambig)
&rst
ixpk= 1139, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 460, 376,
&end
#
# 22 GLN HG+ 26 LEU HB- 6.00 (# 1140:20 Unique 2.41, 4.47 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 340, 341,
igr2= 402, 403,
&end
#
# 32 ALA HN 30 PRO HD+ 6.00 (# 1141:20 Unique 5.18, 5.57 A)
&rst
ixpk= 1141, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 451, 452,
&end
#
# 32 ALA HN 30 PRO HD- 6.00 (# 1142:20 Unique 5.18, 5.57 A)
&rst
ixpk= 1142, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 451, 452,
&end
#
# 32 ALA HA 31 ALA MB 6.00 (# 1143:20 Unique 4.28, 5.00 A)
&rst
ixpk= 1143, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 468, 469, 470,
&end
#
# 34 LEU HN 32 ALA MB 6.00 (# 1144:20 Unique 4.98, 5.61 A)
&rst
ixpk= 1144, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 478, 479, 480,
&end
#
# 36 GLN HN 34 LEU HA 6.00 (# 1145:20 Unique 5.74, 5.95 A)
&rst
ixpk= 1145, nxpk= 20, iat= 542, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 GLN HG+ 35 ILE HA 6.00 (# 1146:20 Unique 3.61, 4.62 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 549, 550,
&end
#
# 0 AMB 20-2:1147 35 ILE HB 6.00 (# 1147:20 Single Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 83, 84, 228, 229, 230,
&end
#
# 7 TYR HA 34 LEU MDY 6.00 (# 1148:20 Unique 3.42, 5.80 A)
&rst
ixpk= 1148, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 513, 514, 515, 517, 518, 519,
&end
#
# 7 TYR HA 35 ILE HB 6.00 (# 1149:20 Unique 4.08, 4.28 A)
&rst
ixpk= 1149, nxpk= 20, iat= 100, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 ARG HB+ 35 ILE HG1- 6.00 (# 1150:20 Unique 2.73, 3.36 A)
&rst
ixpk= 1150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 123, 124,
igr2= 533, 534,
&end
#
# 8 ARG HB+ 35 ILE HG1+ 6.00 (# 1151:20 Unique 2.73, 3.36 A)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 123, 124,
igr2= 533, 534,
&end
#
# 36 GLN HB- 36 GLN HA 6.00 (# 1152:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1152, nxpk= 20, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 546, 547,
&end
#
# 36 GLN HG+ 36 GLN HA 6.00 (# 1153:20 Unique 2.49, 3.23 A)
&rst
ixpk= 1153, nxpk= 20, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 549, 550,
&end
#
# 36 GLN HN 36 GLN HA 6.00 (# 1154:20 Unique 2.87, 2.96 A)
&rst
ixpk= 1154, nxpk= 20, iat= 542, 544, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 ILE MG2 36 GLN HB- 6.00 (# 1155:20 Unique 4.82, 6.42 A)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 529, 530, 531,
igr2= 546, 547,
&end
#
# 34 LEU MDX 36 GLN HB+ 6.00 (# 1156:20 Unique 2.82, 7.09 A)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 513, 514, 515, 517, 518, 519,
igr2= 546, 547,
&end
#
# 15 THR HA 15 THR HN 8.00 (# 0:10 Unique 2.99, 3.00 A)
&rst
ixpk= 0, nxpk= 10, iat= 224, 222, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 14 LYS HB+ 15 THR HN 3.30 (# 2:10 Unique 2.81, 3.44 A)
&rst
ixpk= 2, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 204, 205,
&end
#
# 0 AMB 10-2:3 15 THR HN 3.30 (# 3:10 Single Ambig)
&rst
ixpk= 3, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 228, 229, 230, 207, 208,
&end
#
# 14 LYS HA 15 THR HN 2.60 (# 4:10 Unique 2.24, 2.25 A)
&rst
ixpk= 4, nxpk= 10, iat= 202, 222, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 15 THR HA 9 ASP HN 6.00 (# 6:10 Unique 3.42, 3.50 A)
&rst
ixpk= 6, nxpk= 10, iat= 224, 143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 ARG HA 9 ASP HN 2.60 (# 7:10 Unique 2.08, 2.11 A)
&rst
ixpk= 7, nxpk= 10, iat= 121, 143, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 9 ASP HA 9 ASP HN 6.00 (# 8:10 Unique 2.83, 2.85 A)
&rst
ixpk= 8, nxpk= 10, iat= 145, 143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ASP HB+ 9 ASP HN 3.30 (# 9:10 Unique 2.26, 2.46 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 147, 148,
&end
#
# 8 ARG HG+ 9 ASP HN 3.30 (# 10:10 Unique 3.13, 3.37 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 126, 127,
&end
#
# 8 ARG HG- 9 ASP HN 6.00 (# 11:10 Unique 3.13, 3.37 A)
&rst
ixpk= 11, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 126, 127,
&end
#
# 21 ARG HA 22 GLN HN 2.60 (# 12:10 Unique 2.12, 2.20 A)
&rst
ixpk= 12, nxpk= 10, iat= 311, 333, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 22 GLN HA 22 GLN HN 6.00 (# 13:10 Unique 2.81, 2.86 A)
&rst
ixpk= 13, nxpk= 10, iat= 335, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:14 22 GLN HN 3.30 (# 14:10 Single Ambig)
&rst
ixpk= 14, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 340, 341, 313, 314,
&end
#
# 0 AMB 10-2:15 22 GLN HN 2.60 (# 15:10 Single Ambig)
&rst
ixpk= 15, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 337, 338, 316, 317,
&end
#
# 0 AMB 10-2:16 22 GLN HN 2.60 (# 16:10 Single Ambig)
&rst
ixpk= 16, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 340, 341, 337, 338,
&end
#
# 36 GLN HA 36 GLN HN 6.00 (# 18:10 Unique 2.87, 2.96 A)
&rst
ixpk= 18, nxpk= 10, iat= 544, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 ILE HA 36 GLN HN 2.60 (# 19:10 Unique 2.10, 2.14 A)
&rst
ixpk= 19, nxpk= 10, iat= 525, 542, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 36 GLN HG+ 36 GLN HN 6.00 (# 20:10 Unique 2.25, 3.35 A)
&rst
ixpk= 20, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 549, 550,
&end
#
# 36 GLN HB+ 36 GLN HN 6.00 (# 21:10 Unique 2.38, 3.35 A)
&rst
ixpk= 21, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 546, 547,
&end
#
# 36 GLN HB- 36 GLN HN 3.30 (# 22:10 Unique 2.38, 3.35 A)
&rst
ixpk= 22, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 546, 547,
&end
#
# 0 AMB 10-2:23 36 GLN HN 6.00 (# 23:10 Single Ambig)
&rst
ixpk= 23, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 527, 508, 509, 511,
&end
#
# 35 ILE MG2 36 GLN HN 3.30 (# 24:10 Unique 2.85, 3.61 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 529, 530, 531,
&end
#
# 43 LEU HA 43 LEU HN 3.30 (# 25:10 Unique 2.83, 2.94 A)
&rst
ixpk= 25, nxpk= 10, iat= 649, 647, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 42 ILE HA 43 LEU HN 2.60 (# 26:10 Unique 2.29, 2.34 A)
&rst
ixpk= 26, nxpk= 10, iat= 630, 647, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:27 43 LEU HN 6.00 (# 27:10 Single Ambig)
&rst
ixpk= 27, nxpk= 10, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 670, 671, 611, 612, 632,
&end
#
# 0 AMB 10-2:28 43 LEU HN 2.60 (# 28:10 Single Ambig)
&rst
ixpk= 28, nxpk= 10, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 651, 652, 654,
&end
#
# 0 AMB 10-2:29 43 LEU HN 6.00 (# 29:10 Single Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 656, 657, 658, 660, 661, 662, 641, 642, 643, 634,
635, 636,
&end
#
# 34 LEU HA 35 ILE HN 2.60 (# 32:10 Unique 2.16, 2.19 A)
&rst
ixpk= 32, nxpk= 10, iat= 506, 523, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 35 ILE HA 35 ILE HN 6.00 (# 33:10 Unique 2.87, 2.93 A)
&rst
ixpk= 33, nxpk= 10, iat= 525, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:34 35 ILE HN 2.60 (# 34:10 Single Ambig)
&rst
ixpk= 34, nxpk= 10, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 527, 511, 508, 509,
&end
#
# 35 ILE HG1- 35 ILE HN 3.30 (# 35:10 Unique 2.12, 2.99 A)
&rst
ixpk= 35, nxpk= 10, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 533, 534,
&end
#
# 35 ILE HG1+ 35 ILE HN 6.00 (# 36:10 Unique 2.12, 2.99 A)
&rst
ixpk= 36, nxpk= 10, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 34 LEU MDX 35 ILE HN 6.00 (# 37:10 Unique 2.26, 4.60 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 513, 514, 515, 517, 518, 519,
&end
#
# 35 ILE MD1 35 ILE HN 6.00 (# 38:10 Unique 3.72, 4.40 A)
&rst
ixpk= 38, nxpk= 10, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 536, 537, 538,
&end
#
# 7 TYR HA 35 ILE HN 6.00 (# 39:10 Unique 2.43, 2.65 A)
&rst
ixpk= 39, nxpk= 10, iat= 100, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 PRO HA 24 ALA HN 6.00 (# 42:10 Unique 2.28, 2.35 A)
&rst
ixpk= 42, nxpk= 10, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ALA MB 24 ALA HN 6.00 (# 43:10 Unique 2.41, 2.84 A)
&rst
ixpk= 43, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 368, 369, 370,
&end
#
# 0 AMB 10-2:45 4 VAL HN 2.60 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 34, 48,
&end
#
# 3 THR HB 4 VAL HN 6.00 (# 46:10 Unique 2.22, 2.81 A)
&rst
ixpk= 46, nxpk= 10, iat= 36, 46, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:47 4 VAL HN 6.00 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 50, 8, 9,
&end
#
# 0 AMB 10-2:48 4 VAL HN 2.60 (# 48:10 Single Ambig)
&rst
ixpk= 48, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 52, 53, 54, 56, 57, 58, 52, 53, 54, 56,
57, 58,
&end
#
# 40 PRO HA 41 ALA HN 2.60 (# 50:10 Unique 2.13, 2.23 A)
&rst
ixpk= 50, nxpk= 10, iat= 614, 618, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 41 ALA HA 41 ALA HN 3.30 (# 51:10 Unique 2.85, 2.93 A)
&rst
ixpk= 51, nxpk= 10, iat= 620, 618, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:52 41 ALA HN 6.00 (# 52:10 Single Ambig)
&rst
ixpk= 52, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 611, 612, 566, 567,
&end
#
# 0 AMB 10-2:53 41 ALA HN 6.00 (# 53:10 Single Ambig)
&rst
ixpk= 53, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 611, 612, 566, 567,
&end
#
# 41 ALA MB 41 ALA HN 2.60 (# 54:10 Unique 2.47, 3.14 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 622, 623, 624,
&end
#
# 0 AMB 10-2:57 39 LEU HN 2.60 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 575, 587,
&end
#
# 38 ASP HB+ 39 LEU HN 6.00 (# 58:10 Unique 2.86, 3.94 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 577, 578,
&end
#
# 38 ASP HB- 39 LEU HN 6.00 (# 59:10 Unique 2.86, 3.94 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 577, 578,
&end
#
# 39 LEU HB+ 39 LEU HN 2.60 (# 60:10 Unique 2.66, 3.14 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 589, 590,
&end
#
# 33 PHE HA 34 LEU HN 6.00 (# 61:10 Unique 3.02, 3.21 A)
&rst
ixpk= 61, nxpk= 10, iat= 486, 504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ALA HA 34 LEU HN 6.00 (# 62:10 Unique 3.16, 3.34 A)
&rst
ixpk= 62, nxpk= 10, iat= 466, 504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU HA 34 LEU HN 3.30 (# 63:10 Unique 2.82, 2.88 A)
&rst
ixpk= 63, nxpk= 10, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:64 34 LEU HN 6.00 (# 64:10 Single Ambig)
&rst
ixpk= 64, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 488, 489, 102, 103,
&end
#
# 34 LEU HB+ 34 LEU HN 2.60 (# 65:10 Unique 2.02, 2.62 A)
&rst
ixpk= 65, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 508, 509,
&end
#
# 34 LEU MDX 34 LEU HN 6.00 (# 66:10 Unique 3.91, 5.06 A)
&rst
ixpk= 66, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 513, 514, 515, 517, 518, 519,
&end
#
# 34 LEU MDY 34 LEU HN 6.00 (# 67:10 Unique 3.91, 5.06 A)
&rst
ixpk= 67, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 513, 514, 515, 517, 518, 519,
&end
#
# 27 GLY HA+ 27 GLY HN 6.00 (# 68:10 Unique 2.26, 2.59 A)
&rst
ixpk= 68, nxpk= 10, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 419, 420,
&end
#
# 27 GLY HA- 27 GLY HN 3.30 (# 69:10 Unique 2.26, 2.59 A)
&rst
ixpk= 69, nxpk= 10, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 419, 420,
&end
#
# 26 LEU HA 27 GLY HN 6.00 (# 70:10 Unique 2.54, 3.39 A)
&rst
ixpk= 70, nxpk= 10, iat= 400, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HB- 27 GLY HN 6.00 (# 71:10 Unique 2.43, 3.56 A)
&rst
ixpk= 71, nxpk= 10, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 402, 403,
&end
#
# 11 ALA MB 12 THR HN 6.00 (# 74:10 Unique 2.64, 3.55 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 173, 174, 175,
&end
#
# 12 THR MG2 12 THR HN 6.00 (# 75:10 Unique 2.90, 3.70 A)
&rst
ixpk= 75, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 185, 186, 187,
&end
#
# 20 GLY HA+ 21 ARG HN 2.60 (# 81:10 Unique 2.37, 2.60 A)
&rst
ixpk= 81, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 304, 305,
&end
#
# 21 ARG HA 21 ARG HN 3.30 (# 82:10 Unique 2.84, 2.90 A)
&rst
ixpk= 82, nxpk= 10, iat= 311, 309, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 20 GLY HA- 21 ARG HN 3.30 (# 83:10 Unique 2.37, 2.60 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 304, 305,
&end
#
# 21 ARG HB+ 21 ARG HN 2.60 (# 84:10 Unique 2.44, 2.92 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 313, 314,
&end
#
# 21 ARG HG+ 21 ARG HN 6.00 (# 85:10 Unique 2.30, 3.40 A)
&rst
ixpk= 85, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 316, 317,
&end
#
# 0 AMB 10-2:101 14 LYS HN 3.30 (# 101:10 Single Ambig)
&rst
ixpk= 101, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 202, 195, 196, 183,
&end
#
# 13 GLY HA- 14 LYS HN 6.00 (# 102:10 Unique 3.24, 3.34 A)
&rst
ixpk= 102, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 195, 196,
&end
#
# 9 ASP HB+ 14 LYS HN 6.00 (# 103:10 Unique 2.35, 3.42 A)
&rst
ixpk= 103, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 147, 148,
&end
#
# 14 LYS HB+ 14 LYS HN 3.30 (# 104:10 Unique 2.35, 3.00 A)
&rst
ixpk= 104, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 204, 205,
&end
#
# 14 LYS HG- 14 LYS HN 3.30 (# 105:10 Unique 2.19, 2.92 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 207, 208,
&end
#
# 14 LYS HG+ 14 LYS HN 2.60 (# 106:10 Unique 2.19, 2.92 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 207, 208,
&end
#
# 14 LYS HB- 14 LYS HN 3.30 (# 107:10 Unique 2.35, 3.00 A)
&rst
ixpk= 107, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 204, 205,
&end
#
# 38 ASP HA 38 ASP HN 2.60 (# 109:10 Unique 2.22, 2.55 A)
&rst
ixpk= 109, nxpk= 10, iat= 575, 573, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 37 PRO HA 38 ASP HN 3.30 (# 110:10 Unique 2.13, 2.81 A)
&rst
ixpk= 110, nxpk= 10, iat= 569, 573, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 38 ASP HB+ 38 ASP HN 8.00 (# 111:10 Unique 2.29, 2.81 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 577, 578,
&end
#
# 38 ASP HB- 38 ASP HN 3.30 (# 112:10 Unique 2.29, 2.81 A)
&rst
ixpk= 112, nxpk= 10, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 577, 578,
&end
#
# 37 PRO HB+ 38 ASP HN 6.00 (# 113:10 Unique 3.20, 4.16 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 566, 567,
&end
#
# 37 PRO HG+ 38 ASP HN 6.00 (# 114:10 Unique 2.74, 4.64 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 563, 564,
&end
#
# 0 AMB 10-2:115 38 ASP HN 3.30 (# 115:10 Single Ambig)
&rst
ixpk= 115, nxpk= 10, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 546, 547, 566, 567,
&end
#
# 0 AMB 10-2:116 6 LYS HN 3.30 (# 116:10 Single Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 262, 78,
&end
#
# 5 PRO HA 6 LYS HN 2.60 (# 117:10 Unique 2.21, 2.26 A)
&rst
ixpk= 117, nxpk= 10, iat= 72, 76, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 6 LYS HB+ 6 LYS HN 3.30 (# 118:10 Unique 2.58, 2.96 A)
&rst
ixpk= 118, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 80, 81,
&end
#
# 31 ALA HA 32 ALA HN 6.00 (# 119:10 Unique 3.48, 3.52 A)
&rst
ixpk= 119, nxpk= 10, iat= 466, 474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 ALA HA 32 ALA HN 3.30 (# 120:10 Unique 2.80, 2.86 A)
&rst
ixpk= 120, nxpk= 10, iat= 476, 474, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:121 32 ALA HN 3.30 (# 121:10 Single Ambig)
&rst
ixpk= 121, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 468, 469, 470, 508, 509,
&end
#
# 32 ALA MB 32 ALA HN 2.60 (# 122:10 Unique 2.42, 2.84 A)
&rst
ixpk= 122, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 478, 479, 480,
&end
#
# 41 ALA HA 42 ILE HN 2.60 (# 125:10 Unique 2.23, 2.54 A)
&rst
ixpk= 125, nxpk= 10, iat= 620, 628, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 42 ILE HA 42 ILE HN 3.30 (# 126:10 Unique 2.26, 2.59 A)
&rst
ixpk= 126, nxpk= 10, iat= 630, 628, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 10-2:127 42 ILE HN 2.60 (# 127:10 Single Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 632, 611, 612,
&end
#
# 0 AMB 10-2:128 42 ILE HN 6.00 (# 128:10 Single Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 638, 639, 651, 652,
&end
#
# 41 ALA MB 42 ILE HN 6.00 (# 129:10 Unique 2.29, 3.78 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 622, 623, 624,
&end
#
# 42 ILE HG1+ 42 ILE HN 6.00 (# 130:10 Unique 2.32, 3.90 A)
&rst
ixpk= 130, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 638, 639,
&end
#
# 0 AMB 10-2:131 42 ILE HN 6.00 (# 131:10 Single Ambig)
&rst
ixpk= 131, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 634, 635, 636, 641, 642, 643,
&end
#
# 15 THR HA 16 TRP HN 2.60 (# 132:10 Unique 2.24, 2.26 A)
&rst
ixpk= 132, nxpk= 10, iat= 224, 236, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 15 THR HB 16 TRP HN 3.30 (# 133:10 Unique 2.49, 2.55 A)
&rst
ixpk= 133, nxpk= 10, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 16 TRP HB+ 16 TRP HN 6.00 (# 134:10 Unique 2.87, 3.15 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 240, 241,
&end
#
# 0 AMB 10-2:135 16 TRP HN 3.30 (# 135:10 Single Ambig)
&rst
ixpk= 135, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 240, 241, 102, 103,
&end
#
# 15 THR MG2 16 TRP HN 6.00 (# 136:10 Unique 3.68, 4.42 A)
&rst
ixpk= 136, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 228, 229, 230,
&end
#
# 19 ARG HB- 19 ARG HN 3.30 (# 137:10 Unique 2.45, 3.10 A)
&rst
ixpk= 137, nxpk= 10, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 282, 283,
&end
#
# 19 ARG HG+ 19 ARG HN 6.00 (# 138:10 Unique 2.26, 3.89 A)
&rst
ixpk= 138, nxpk= 10, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 285, 286,
&end
#
# 19 ARG HA 19 ARG HN 6.00 (# 139:10 Unique 2.87, 2.96 A)
&rst
ixpk= 139, nxpk= 10, iat= 280, 278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 ARG HB+ 19 ARG HN 6.00 (# 140:10 Unique 2.45, 3.10 A)
&rst
ixpk= 140, nxpk= 10, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 282, 283,
&end
#
# 10 PRO HD+ 11 ALA HN 6.00 (# 141:10 Unique 2.71, 3.44 A)
&rst
ixpk= 141, nxpk= 10, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 156, 157,
&end
#
# 0 AMB 10-2:142 11 ALA HN 2.60 (# 142:10 Single Ambig)
&rst
ixpk= 142, nxpk= 10, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 156, 157, 171, 165,
&end
#
# 0 AMB 10-2:143 11 ALA HN 6.00 (# 143:10 Single Ambig)
&rst
ixpk= 143, nxpk= 10, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 159, 160, 147, 148,
&end
#
# 10 PRO HB- 11 ALA HN 6.00 (# 144:10 Unique 3.05, 4.07 A)
&rst
ixpk= 144, nxpk= 10, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 162, 163,
&end
#
# 11 ALA MB 11 ALA HN 2.60 (# 145:10 Unique 2.43, 2.85 A)
&rst
ixpk= 145, nxpk= 10, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 173, 174, 175,
&end
#
# 31 ALA HA 31 ALA HN 3.30 (# 148:10 Unique 2.78, 2.83 A)
&rst
ixpk= 148, nxpk= 10, iat= 466, 464, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 30 PRO HG+ 31 ALA HN 6.00 (# 149:10 Unique 3.30, 4.67 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 454, 455,
&end
#
# 30 PRO HB+ 31 ALA HN 6.00 (# 150:10 Unique 2.66, 3.55 A)
&rst
ixpk= 150, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 457, 458,
&end
#
# 31 ALA MB 31 ALA HN 2.60 (# 151:10 Unique 2.41, 2.84 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 468, 469, 470,
&end
#
# 29 ASP HA 29 ASP HN 3.30 (# 152:10 Unique 2.88, 2.94 A)
&rst
ixpk= 152, nxpk= 10, iat= 440, 438, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 ASN HA 29 ASP HN 6.00 (# 153:10 Unique 3.14, 3.54 A)
&rst
ixpk= 153, nxpk= 10, iat= 426, 438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:154 29 ASP HN 6.00 (# 154:10 Single Ambig)
&rst
ixpk= 154, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452, 419, 420,
&end
#
# 30 PRO HD- 29 ASP HN 6.00 (# 155:10 Unique 2.99, 3.83 A)
&rst
ixpk= 155, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 451, 452,
&end
#
# 29 ASP HB+ 29 ASP HN 3.30 (# 156:10 Unique 2.81, 3.19 A)
&rst
ixpk= 156, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 442, 443,
&end
#
# 28 ASN HB- 29 ASP HN 6.00 (# 157:10 Unique 2.23, 3.47 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 428, 429,
&end
#
# 29 ASP HB- 29 ASP HN 3.30 (# 158:10 Unique 2.81, 3.19 A)
&rst
ixpk= 158, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 442, 443,
&end
#
# 30 PRO HD+ 31 ALA HN 6.00 (# 159:10 Unique 3.06, 3.80 A)
&rst
ixpk= 159, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 451, 452,
&end
#
# 28 ASN HA 28 ASN HN 6.00 (# 161:10 Unique 2.80, 2.93 A)
&rst
ixpk= 161, nxpk= 10, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:162 28 ASN HN 2.60 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 419, 420, 451, 452,
&end
#
# 27 GLY HA- 28 ASN HN 3.30 (# 163:10 Unique 2.16, 3.04 A)
&rst
ixpk= 163, nxpk= 10, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 419, 420,
&end
#
# 28 ASN HB- 28 ASN HN 3.30 (# 164:10 Unique 2.44, 3.16 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 428, 429,
&end
#
# 5 PRO HA 7 TYR HN 6.00 (# 166:10 Unique 3.80, 3.99 A)
&rst
ixpk= 166, nxpk= 10, iat= 72, 98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HA 7 TYR HN 6.00 (# 167:10 Unique 2.98, 2.99 A)
&rst
ixpk= 167, nxpk= 10, iat= 100, 98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:168 7 TYR HN 3.30 (# 168:10 Single Ambig)
&rst
ixpk= 168, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 262, 78,
&end
#
# 7 TYR HB- 7 TYR HN 3.30 (# 169:10 Unique 2.69, 3.28 A)
&rst
ixpk= 169, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 102, 103,
&end
#
# 6 LYS HB+ 7 TYR HN 3.30 (# 170:10 Unique 2.93, 3.60 A)
&rst
ixpk= 170, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 80, 81,
&end
#
# 33 PHE HA 33 PHE HN 6.00 (# 172:10 Unique 2.98, 2.99 A)
&rst
ixpk= 172, nxpk= 10, iat= 486, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 ALA HA 33 PHE HN 6.00 (# 173:10 Unique 3.48, 3.51 A)
&rst
ixpk= 173, nxpk= 10, iat= 476, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE HB+ 33 PHE HN 6.00 (# 174:10 Unique 3.23, 3.56 A)
&rst
ixpk= 174, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 488, 489,
&end
#
# 0 AMB 10-2:175 33 PHE HN 3.30 (# 175:10 Single Ambig)
&rst
ixpk= 175, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 488, 489, 102, 103,
&end
#
# 32 ALA MB 33 PHE HN 3.30 (# 176:10 Unique 2.83, 3.70 A)
&rst
ixpk= 176, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 478, 479, 480,
&end
#
# 25 TRP HB+ 25 TRP HN 6.00 (# 177:10 Unique 2.68, 3.18 A)
&rst
ixpk= 177, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 378, 379,
&end
#
# 28 ASN HB- 28 ASN HD2+ 6.00 (# 178:10 Unique 2.22, 3.25 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 428, 429,
igr2= 433, 434,
&end
#
# 25 TRP HA 25 TRP HN 6.00 (# 179:10 Unique 2.84, 2.88 A)
&rst
ixpk= 179, nxpk= 10, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 TRP HB- 25 TRP HN 6.00 (# 180:10 Unique 2.68, 3.18 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 378, 379,
&end
#
# 24 ALA MB 25 TRP HN 6.00 (# 181:10 Unique 2.69, 3.56 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 368, 369, 370,
&end
#
# 28 ASN HB- 28 ASN HD2- 6.00 (# 182:10 Unique 2.22, 3.25 A)
&rst
ixpk= 182, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 428, 429,
igr2= 433, 434,
&end
#
# 36 GLN HG+ 36 GLN HE2+ 6.00 (# 183:10 Unique 2.26, 3.34 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 549, 550,
igr2= 554, 555,
&end
#
# 36 GLN HG+ 36 GLN HE2- 6.00 (# 184:10 Unique 2.26, 3.34 A)
&rst
ixpk= 184, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 549, 550,
igr2= 554, 555,
&end
#
# 22 GLN HG+ 22 GLN HE2+ 6.00 (# 185:10 Unique 2.24, 3.26 A)
&rst
ixpk= 185, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 340, 341,
igr2= 345, 346,
&end
#
# 0 AMB 10-2:186 0 AMB 10-1:186 6.00 (# 186:10 Double Ambig)
&rst
ixpk= 186, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 340, 341, 337, 338,
igr2= 345, 346, 345, 346,
&end
#
# 22 GLN HG+ 22 GLN HE2- 6.00 (# 187:10 Unique 2.24, 3.26 A)
&rst
ixpk= 187, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 340, 341,
igr2= 345, 346,
&end
#
# 19 ARG HA 20 GLY HN 2.60 (# 189:10 Unique 2.16, 2.25 A)
&rst
ixpk= 189, nxpk= 10, iat= 280, 302, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 20 GLY HA+ 20 GLY HN 3.30 (# 190:10 Unique 2.28, 2.61 A)
&rst
ixpk= 190, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 304, 305,
&end
#
# 20 GLY HA- 20 GLY HN 3.30 (# 191:10 Unique 2.28, 2.61 A)
&rst
ixpk= 191, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 304, 305,
&end
#
# 19 ARG HB+ 20 GLY HN 6.00 (# 192:10 Unique 2.35, 3.63 A)
&rst
ixpk= 192, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 282, 283,
&end
#
# 12 THR HA 13 GLY HN 6.00 (# 193:10 Unique 3.44, 3.48 A)
&rst
ixpk= 193, nxpk= 10, iat= 181, 193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:194 13 GLY HN 6.00 (# 194:10 Single Ambig)
&rst
ixpk= 194, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 165, 171, 156, 157,
&end
#
# 13 GLY HA+ 13 GLY HN 2.60 (# 195:10 Unique 2.30, 2.63 A)
&rst
ixpk= 195, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 195, 196,
&end
#
# 13 GLY HA- 13 GLY HN 2.60 (# 196:10 Unique 2.30, 2.63 A)
&rst
ixpk= 196, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 195, 196,
&end
#
# 11 ALA MB 13 GLY HN 6.00 (# 197:10 Unique 4.69, 5.52 A)
&rst
ixpk= 197, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 173, 174, 175,
&end
#
# 16 TRP HZ2 16 TRP HE1 3.30 (# 198:10 Unique 2.88, 2.89 A)
&rst
ixpk= 198, nxpk= 10, iat= 249, 246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 16 TRP HD1 16 TRP HE1 3.30 (# 199:10 Unique 2.56, 2.57 A)
&rst
ixpk= 199, nxpk= 10, iat= 244, 246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 23 PRO HB+ 25 TRP HE1 6.00 (# 200:10 Unique 2.58, 3.07 A)
&rst
ixpk= 200, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 357, 358,
&end
#
# 25 TRP HD1 25 TRP HE1 2.60 (# 201:10 Unique 2.56, 2.56 A)
&rst
ixpk= 201, nxpk= 10, iat= 382, 384, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 23 PRO HB- 25 TRP HE1 6.00 (# 202:10 Unique 2.58, 3.07 A)
&rst
ixpk= 202, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 357, 358,
&end
#
# 0 AMB 10-2:203 25 TRP HE1 3.30 (# 203:10 Single Ambig)
&rst
ixpk= 203, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 387, 374,
&end
#
# 0 AMB 10-2:204 25 TRP HE1 6.00 (# 204:10 Single Ambig)
&rst
ixpk= 204, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 204, 205, 210, 211,
&end
#
# 32 ALA HN 31 ALA HN 3.30 (# 205:10 Unique 2.58, 2.86 A)
&rst
ixpk= 205, nxpk= 10, iat= 474, 464, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 29 ASP HN 28 ASN HN 3.30 (# 206:10 Unique 2.24, 2.53 A)
&rst
ixpk= 206, nxpk= 10, iat= 438, 424, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 13 GLY HN 14 LYS HN 3.30 (# 207:10 Unique 2.55, 2.63 A)
&rst
ixpk= 207, nxpk= 10, iat= 193, 200, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 16 TRP HN 7 TYR HN 6.00 (# 208:10 Unique 2.89, 2.94 A)
&rst
ixpk= 208, nxpk= 10, iat= 236, 98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 LYS HB- 15 THR HN 6.00 (# 213:10 Unique 2.81, 3.44 A)
&rst
ixpk= 213, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 204, 205,
&end
#
# 9 ASP HB- 9 ASP HN 6.00 (# 216:10 Unique 2.26, 2.46 A)
&rst
ixpk= 216, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 147, 148,
&end
#
# 8 ARG HB- 9 ASP HN 6.00 (# 217:10 Unique 4.25, 4.35 A)
&rst
ixpk= 217, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 124,
&end
#
# 0 AMB 10-2:218 9 ASP HN 6.00 (# 218:10 Single Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 102, 103, 129, 130, 240, 241,
&end
#
# 14 LYS HN 9 ASP HN 6.00 (# 220:10 Unique 3.91, 4.01 A)
&rst
ixpk= 220, nxpk= 10, iat= 200, 143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:221 22 GLN HN 6.00 (# 221:10 Single Ambig)
&rst
ixpk= 221, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 249, 345, 346,
&end
#
# 35 ILE HG1+ 36 GLN HN 6.00 (# 225:10 Unique 4.34, 4.80 A)
&rst
ixpk= 225, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 35 ILE HG1- 36 GLN HN 6.00 (# 226:10 Unique 4.34, 4.80 A)
&rst
ixpk= 226, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 533, 534,
&end
#
# 35 ILE MD1 36 GLN HN 6.00 (# 227:10 Unique 5.79, 6.38 A)
&rst
ixpk= 227, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 536, 537, 538,
&end
#
# 37 PRO HD+ 36 GLN HN 6.00 (# 228:10 Unique 4.75, 4.97 A)
&rst
ixpk= 228, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 560, 561,
&end
#
# 35 ILE HN 36 GLN HN 6.00 (# 229:10 Unique 4.30, 4.50 A)
&rst
ixpk= 229, nxpk= 10, iat= 523, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 LEU HB- 43 LEU HN 6.00 (# 231:10 Unique 2.24, 2.81 A)
&rst
ixpk= 231, nxpk= 10, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 651, 652,
&end
#
# 41 ALA MB 43 LEU HN 6.00 (# 232:10 Unique 3.68, 5.32 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 622, 623, 624,
&end
#
# 42 ILE HG1+ 43 LEU HN 6.00 (# 233:10 Unique 4.39, 5.18 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 638, 639,
&end
#
# 6 LYS HA 35 ILE HN 6.00 (# 235:10 Unique 3.79, 3.89 A)
&rst
ixpk= 235, nxpk= 10, iat= 78, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:237 35 ILE HN 6.00 (# 237:10 Single Ambig)
&rst
ixpk= 237, nxpk= 10, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 106, 115, 492, 500,
&end
#
# 34 LEU HN 35 ILE HN 6.00 (# 238:10 Unique 4.51, 4.59 A)
&rst
ixpk= 238, nxpk= 10, iat= 504, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 GLN HN 35 ILE HN 6.00 (# 239:10 Unique 4.30, 4.50 A)
&rst
ixpk= 239, nxpk= 10, iat= 542, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:242 4 VAL HN 6.00 (# 242:10 Single Ambig)
&rst
ixpk= 242, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 264, 265, 63, 64, 25, 26,
&end
#
# 3 THR MG2 4 VAL HN 6.00 (# 243:10 Unique 3.50, 4.46 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 38, 39, 40,
&end
#
# 24 ALA HA 24 ALA HN 6.00 (# 244:10 Unique 2.78, 2.81 A)
&rst
ixpk= 244, nxpk= 10, iat= 366, 364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 PRO HG+ 41 ALA HN 6.00 (# 248:10 Unique 4.54, 6.39 A)
&rst
ixpk= 248, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 563, 564,
&end
#
# 40 PRO HD- 41 ALA HN 6.00 (# 249:10 Unique 5.36, 5.56 A)
&rst
ixpk= 249, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 605, 606,
&end
#
# 0 AMB 10-2:252 39 LEU HN 6.00 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 569, 614,
&end
#
# 40 PRO HD+ 39 LEU HN 6.00 (# 253:10 Unique 4.54, 4.88 A)
&rst
ixpk= 253, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 605, 606,
&end
#
# 40 PRO HD- 39 LEU HN 6.00 (# 254:10 Unique 4.54, 4.88 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 605, 606,
&end
#
# 0 AMB 10-2:255 39 LEU HN 6.00 (# 255:10 Single Ambig)
&rst
ixpk= 255, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 566, 567, 546, 547,
&end
#
# 0 AMB 10-2:256 39 LEU HN 6.00 (# 256:10 Single Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 594, 595, 596, 598, 599, 600, 594, 595, 596, 598,
599, 600,
&end
#
# 38 ASP HN 39 LEU HN 6.00 (# 257:10 Unique 2.70, 2.88 A)
&rst
ixpk= 257, nxpk= 10, iat= 573, 585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE HB+ 34 LEU HN 6.00 (# 258:10 Unique 3.86, 4.45 A)
&rst
ixpk= 258, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 488, 489,
&end
#
# 0 AMB 10-2:259 34 LEU HN 6.00 (# 259:10 Single Ambig)
&rst
ixpk= 259, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 492, 500, 106, 115,
&end
#
# 33 PHE HE 34 LEU HN 6.00 (# 260:10 Unique 4.79, 6.08 A)
&rst
ixpk= 260, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 494, 498,
&end
#
# 33 PHE HN 34 LEU HN 2.60 (# 261:10 Unique 1.98, 2.22 A)
&rst
ixpk= 261, nxpk= 10, iat= 484, 504, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 26 LEU HB+ 27 GLY HN 6.00 (# 262:10 Unique 2.43, 3.56 A)
&rst
ixpk= 262, nxpk= 10, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 402, 403,
&end
#
# 25 TRP HA 27 GLY HN 6.00 (# 263:10 Unique 3.59, 4.05 A)
&rst
ixpk= 263, nxpk= 10, iat= 376, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 27 GLY HN 6.00 (# 264:10 Unique 2.41, 2.76 A)
&rst
ixpk= 264, nxpk= 10, iat= 398, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 ASN HN 27 GLY HN 6.00 (# 265:10 Unique 2.57, 3.60 A)
&rst
ixpk= 265, nxpk= 10, iat= 424, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:268 12 THR HN 6.00 (# 268:10 Single Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 147, 148, 159, 160,
&end
#
# 13 GLY HA- 12 THR HN 6.00 (# 269:10 Unique 4.22, 4.64 A)
&rst
ixpk= 269, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 195, 196,
&end
#
# 0 AMB 10-2:270 12 THR HN 6.00 (# 270:10 Single Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 183, 195, 196,
&end
#
# 0 AMB 10-2:271 12 THR HN 6.00 (# 271:10 Single Ambig)
&rst
ixpk= 271, nxpk= 10, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 171, 165, 156, 157,
&end
#
# 12 THR HA 12 THR HN 6.00 (# 272:10 Unique 3.01, 3.01 A)
&rst
ixpk= 272, nxpk= 10, iat= 181, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 ALA HN 12 THR HN 6.00 (# 273:10 Unique 2.59, 2.63 A)
&rst
ixpk= 273, nxpk= 10, iat= 169, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 GLY HN 12 THR HN 3.30 (# 274:10 Unique 1.93, 2.10 A)
&rst
ixpk= 274, nxpk= 10, iat= 193, 179, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 8 ARG HB+ 8 ARG HN 6.00 (# 283:10 Unique 2.83, 3.11 A)
&rst
ixpk= 283, nxpk= 10, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 124,
&end
#
# 7 TYR HB+ 8 ARG HN 6.00 (# 284:10 Unique 2.77, 3.42 A)
&rst
ixpk= 284, nxpk= 10, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 33 PHE HB+ 8 ARG HN 6.00 (# 285:10 Unique 2.77, 3.63 A)
&rst
ixpk= 285, nxpk= 10, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 488, 489,
&end
#
# 7 TYR HA 8 ARG HN 6.00 (# 286:10 Unique 2.23, 2.26 A)
&rst
ixpk= 286, nxpk= 10, iat= 100, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HB- 26 LEU HN 6.00 (# 287:10 Unique 2.06, 2.54 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 402, 403,
&end
#
# 14 LYS HE+ 14 LYS HN 6.00 (# 290:10 Unique 4.47, 5.17 A)
&rst
ixpk= 290, nxpk= 10, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 213, 214,
&end
#
# 35 ILE MG2 38 ASP HN 6.00 (# 296:10 Unique 4.53, 7.07 A)
&rst
ixpk= 296, nxpk= 10, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 529, 530, 531,
&end
#
# 0 AMB 10-2:297 38 ASP HN 6.00 (# 297:10 Single Ambig)
&rst
ixpk= 297, nxpk= 10, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 589, 590, 527,
&end
#
# 36 GLN HG+ 38 ASP HN 6.00 (# 298:10 Unique 2.58, 5.56 A)
&rst
ixpk= 298, nxpk= 10, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 549, 550,
&end
#
# 36 GLN HB+ 38 ASP HN 6.00 (# 299:10 Unique 2.64, 4.48 A)
&rst
ixpk= 299, nxpk= 10, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 546, 547,
&end
#
# 37 PRO HD- 38 ASP HN 6.00 (# 300:10 Unique 2.78, 4.43 A)
&rst
ixpk= 300, nxpk= 10, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 560, 561,
&end
#
# 39 LEU HN 38 ASP HN 6.00 (# 301:10 Unique 2.70, 2.88 A)
&rst
ixpk= 301, nxpk= 10, iat= 585, 573, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 LYS HG- 6 LYS HN 6.00 (# 302:10 Unique 3.10, 4.48 A)
&rst
ixpk= 302, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 5 PRO HB- 6 LYS HN 6.00 (# 303:10 Unique 2.57, 3.05 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 69, 70,
&end
#
# 5 PRO HB+ 6 LYS HN 6.00 (# 304:10 Unique 2.57, 3.05 A)
&rst
ixpk= 304, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 69, 70,
&end
#
# 0 AMB 10-2:305 6 LYS HN 6.00 (# 305:10 Single Ambig)
&rst
ixpk= 305, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 103, 240, 241,
&end
#
# 0 AMB 10-2:306 6 LYS HN 6.00 (# 306:10 Single Ambig)
&rst
ixpk= 306, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 264, 265, 264, 265,
&end
#
# 29 ASP HB+ 32 ALA HN 6.00 (# 307:10 Unique 3.51, 4.68 A)
&rst
ixpk= 307, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 442, 443,
&end
#
# 6 LYS HG+ 6 LYS HN 6.00 (# 308:10 Unique 3.10, 4.48 A)
&rst
ixpk= 308, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 0 AMB 10-2:309 6 LYS HN 6.00 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 106, 115, 255,
&end
#
# 7 TYR HN 6 LYS HN 3.30 (# 310:10 Unique 1.84, 1.93 A)
&rst
ixpk= 310, nxpk= 10, iat= 98, 76, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 PHE HN 32 ALA HN 3.30 (# 311:10 Unique 2.65, 2.73 A)
&rst
ixpk= 311, nxpk= 10, iat= 484, 474, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 31 ALA HN 32 ALA HN 3.30 (# 312:10 Unique 2.58, 2.86 A)
&rst
ixpk= 312, nxpk= 10, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 43 LEU HN 42 ILE HN 3.30 (# 316:10 Unique 2.57, 3.18 A)
&rst
ixpk= 316, nxpk= 10, iat= 647, 628, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 8 ARG HA 16 TRP HN 6.00 (# 317:10 Unique 3.74, 3.84 A)
&rst
ixpk= 317, nxpk= 10, iat= 121, 236, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 TRP HH2 16 TRP HN 6.00 (# 318:10 Unique 2.93, 3.11 A)
&rst
ixpk= 318, nxpk= 10, iat= 389, 236, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:319 16 TRP HN 6.00 (# 319:10 Single Ambig)
&rst
ixpk= 319, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 387, 106, 115, 255,
&end
#
# 7 TYR HN 16 TRP HN 6.00 (# 320:10 Unique 2.89, 2.94 A)
&rst
ixpk= 320, nxpk= 10, iat= 98, 236, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 LYS HN 16 TRP HN 6.00 (# 321:10 Unique 3.69, 3.75 A)
&rst
ixpk= 321, nxpk= 10, iat= 76, 236, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 GLY HA+ 19 ARG HN 6.00 (# 322:10 Unique 2.89, 3.31 A)
&rst
ixpk= 322, nxpk= 10, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 273, 274,
&end
#
# 0 AMB 10-2:323 19 ARG HN 6.00 (# 323:10 Single Ambig)
&rst
ixpk= 323, nxpk= 10, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 264, 265, 264, 265,
&end
#
# 16 TRP HE1 19 ARG HN 6.00 (# 325:10 Unique 2.63, 3.09 A)
&rst
ixpk= 325, nxpk= 10, iat= 246, 278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR MG2 11 ALA HN 6.00 (# 326:10 Unique 4.51, 5.62 A)
&rst
ixpk= 326, nxpk= 10, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 185, 186, 187,
&end
#
# 12 THR HN 11 ALA HN 6.00 (# 328:10 Unique 2.59, 2.63 A)
&rst
ixpk= 328, nxpk= 10, iat= 179, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 ALA MB 31 ALA HN 6.00 (# 331:10 Unique 4.60, 5.52 A)
&rst
ixpk= 331, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 478, 479, 480,
&end
#
# 30 PRO HD- 31 ALA HN 6.00 (# 332:10 Unique 3.06, 3.80 A)
&rst
ixpk= 332, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 451, 452,
&end
#
# 29 ASP HB+ 31 ALA HN 6.00 (# 333:10 Unique 4.52, 5.11 A)
&rst
ixpk= 333, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 442, 443,
&end
#
# 29 ASP HA 31 ALA HN 6.00 (# 334:10 Unique 3.58, 3.93 A)
&rst
ixpk= 334, nxpk= 10, iat= 440, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 GLY HA- 29 ASP HN 6.00 (# 335:10 Unique 3.30, 5.10 A)
&rst
ixpk= 335, nxpk= 10, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 419, 420,
&end
#
# 28 ASN HN 29 ASP HN 6.00 (# 337:10 Unique 2.24, 2.53 A)
&rst
ixpk= 337, nxpk= 10, iat= 424, 438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 ASN HB+ 28 ASN HN 6.00 (# 342:10 Unique 2.44, 3.16 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 428, 429,
&end
#
# 27 GLY HN 28 ASN HN 6.00 (# 343:10 Unique 2.57, 3.60 A)
&rst
ixpk= 343, nxpk= 10, iat= 417, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 ILE MD1 7 TYR HN 6.00 (# 349:10 Unique 3.31, 4.10 A)
&rst
ixpk= 349, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 536, 537, 538,
&end
#
# 6 LYS HG- 7 TYR HN 6.00 (# 350:10 Unique 4.19, 4.68 A)
&rst
ixpk= 350, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 0 AMB 10-2:351 7 TYR HN 6.00 (# 351:10 Single Ambig)
&rst
ixpk= 351, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 83, 84, 228, 229, 230, 273, 274,
&end
#
# 5 PRO HB- 7 TYR HN 6.00 (# 352:10 Unique 2.76, 3.74 A)
&rst
ixpk= 352, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 69, 70,
&end
#
# 16 TRP HB+ 7 TYR HN 6.00 (# 353:10 Unique 3.64, 4.68 A)
&rst
ixpk= 353, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 240, 241,
&end
#
# 0 AMB 10-2:354 7 TYR HN 8.00 (# 354:10 Single Ambig)
&rst
ixpk= 354, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 494, 498, 251,
&end
#
# 0 AMB 10-2:355 7 TYR HN 6.00 (# 355:10 Single Ambig)
&rst
ixpk= 355, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 106, 115, 255,
&end
#
# 6 LYS HN 7 TYR HN 2.60 (# 356:10 Unique 1.84, 1.93 A)
&rst
ixpk= 356, nxpk= 10, iat= 76, 98, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 2 SER HA 3 THR HN 6.00 (# 357:10 Unique 2.34, 2.72 A)
&rst
ixpk= 357, nxpk= 10, iat= 23, 32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 THR HA 3 THR HN 6.00 (# 358:10 Unique 2.93, 2.97 A)
&rst
ixpk= 358, nxpk= 10, iat= 34, 32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 THR MG2 3 THR HN 6.00 (# 359:10 Unique 2.39, 3.68 A)
&rst
ixpk= 359, nxpk= 10, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 38, 39, 40,
&end
#
# 4 VAL HN 3 THR HN 6.00 (# 360:10 Unique 4.42, 4.48 A)
&rst
ixpk= 360, nxpk= 10, iat= 46, 32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU MDX 33 PHE HN 6.00 (# 361:10 Unique 4.86, 7.13 A)
&rst
ixpk= 361, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 407, 408, 409, 411, 412, 413,
&end
#
# 0 AMB 10-2:362 33 PHE HN 6.00 (# 362:10 Single Ambig)
&rst
ixpk= 362, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 508, 509, 511,
&end
#
# 31 ALA HA 33 PHE HN 6.00 (# 363:10 Unique 3.73, 4.03 A)
&rst
ixpk= 363, nxpk= 10, iat= 466, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:364 33 PHE HN 6.00 (# 364:10 Single Ambig)
&rst
ixpk= 364, nxpk= 10, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 492, 500, 106, 115,
&end
#
# 34 LEU HN 33 PHE HN 2.60 (# 365:10 Unique 1.98, 2.22 A)
&rst
ixpk= 365, nxpk= 10, iat= 504, 484, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 25 TRP HE3 33 PHE HN 6.00 (# 366:10 Unique 5.82, 6.02 A)
&rst
ixpk= 366, nxpk= 10, iat= 393, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 ALA HN 33 PHE HN 3.30 (# 367:10 Unique 2.65, 2.73 A)
&rst
ixpk= 367, nxpk= 10, iat= 474, 484, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 19 ARG HN 16 TRP HE1 6.00 (# 368:10 Unique 2.63, 3.09 A)
&rst
ixpk= 368, nxpk= 10, iat= 278, 246, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 PRO HB- 25 TRP HN 6.00 (# 369:10 Unique 2.90, 3.65 A)
&rst
ixpk= 369, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 357, 358,
&end
#
# 23 PRO HB+ 25 TRP HN 6.00 (# 370:10 Unique 2.90, 3.65 A)
&rst
ixpk= 370, nxpk= 10, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 357, 358,
&end
#
# 24 ALA HA 25 TRP HN 6.00 (# 371:10 Unique 3.55, 3.59 A)
&rst
ixpk= 371, nxpk= 10, iat= 366, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 25 TRP HN 6.00 (# 373:10 Unique 2.62, 2.73 A)
&rst
ixpk= 373, nxpk= 10, iat= 398, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 TRP HD1 25 TRP HN 6.00 (# 374:10 Unique 2.28, 2.45 A)
&rst
ixpk= 374, nxpk= 10, iat= 382, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 TRP HE3 25 TRP HN 6.00 (# 375:10 Unique 4.76, 4.96 A)
&rst
ixpk= 375, nxpk= 10, iat= 393, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 LYS HD- 25 TRP HE1 6.00 (# 378:10 Unique 2.82, 3.33 A)
&rst
ixpk= 378, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 210, 211,
&end
#
# 23 PRO HG+ 25 TRP HE1 6.00 (# 379:10 Unique 2.92, 3.79 A)
&rst
ixpk= 379, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 354, 355,
&end
#
# 25 TRP HB- 25 TRP HE1 6.00 (# 380:10 Unique 4.72, 4.99 A)
&rst
ixpk= 380, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 378, 379,
&end
#
# 23 PRO HA 25 TRP HE1 6.00 (# 381:10 Unique 4.83, 5.10 A)
&rst
ixpk= 381, nxpk= 10, iat= 360, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HB- 22 GLN HE2+ 6.00 (# 383:10 Unique 2.51, 4.87 A)
&rst
ixpk= 383, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 402, 403,
igr2= 345, 346,
&end
#
# 26 LEU HB+ 22 GLN HE2+ 6.00 (# 384:10 Unique 2.51, 4.87 A)
&rst
ixpk= 384, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 402, 403,
igr2= 345, 346,
&end
#
# 22 GLN HB+ 22 GLN HE2+ 6.00 (# 385:10 Unique 2.85, 4.26 A)
&rst
ixpk= 385, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 337, 338,
igr2= 345, 346,
&end
#
# 0 AMB 10-2:386 22 GLN HE2- 6.00 (# 386:10 Single Ambig)
&rst
ixpk= 386, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 340, 341, 337, 338,
igr2= 345, 346,
&end
#
# 30 PRO HG- 22 GLN HE2- 6.00 (# 388:10 Unique 2.97, 5.31 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 454, 455,
igr2= 345, 346,
&end
#
# 30 PRO HD- 22 GLN HE2- 6.00 (# 389:10 Unique 4.63, 6.76 A)
&rst
ixpk= 389, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2= 345, 346,
&end
#
# 0 AMB 10-2:390 22 GLN HE2- 6.00 (# 390:10 Single Ambig)
&rst
ixpk= 390, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 366, 451, 452,
igr2= 345, 346,
&end
#
# 19 ARG HG+ 20 GLY HN 6.00 (# 391:10 Unique 2.58, 4.08 A)
&rst
ixpk= 391, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 285, 286,
&end
#
# 19 ARG HB- 20 GLY HN 6.00 (# 392:10 Unique 2.35, 3.63 A)
&rst
ixpk= 392, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 282, 283,
&end
#
# 12 THR MG2 13 GLY HN 6.00 (# 393:10 Unique 4.63, 5.15 A)
&rst
ixpk= 393, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 185, 186, 187,
&end
#
# 9 ASP HB+ 13 GLY HN 6.00 (# 394:10 Unique 3.07, 4.03 A)
&rst
ixpk= 394, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 147, 148,
&end
#
# 12 THR HN 13 GLY HN 2.60 (# 395:10 Unique 1.93, 2.10 A)
&rst
ixpk= 395, nxpk= 10, iat= 179, 193, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 14 LYS HN 13 GLY HN 6.00 (# 396:10 Unique 2.55, 2.63 A)
&rst
ixpk= 396, nxpk= 10, iat= 200, 193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 ALA HN 13 GLY HN 6.00 (# 397:10 Unique 3.83, 3.90 A)
&rst
ixpk= 397, nxpk= 10, iat= 169, 193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:398 7 TYR HN 3.30 (# 398:10 Single Ambig)
&rst
ixpk= 398, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 102, 103, 240, 241,
&end
#
# 8 ARG HA 8 ARG HN 6.00 (# 399:10 Unique 2.94, 2.96 A)
&rst
ixpk= 399, nxpk= 10, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 LEU HB- 34 LEU HN 3.30 (# 400:10 Unique 2.02, 2.62 A)
&rst
ixpk= 400, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 508, 509,
&end
#
# 39 LEU HG 39 LEU HN 6.00 (# 401:10 Unique 3.44, 3.90 A)
&rst
ixpk= 401, nxpk= 10, iat= 592, 585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 PRO HB+ 24 ALA HN 6.00 (# 402:10 Unique 2.74, 3.24 A)
&rst
ixpk= 402, nxpk= 10, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 357, 358,
&end
#
# 26 LEU HA 26 LEU HN 6.00 (# 403:10 Unique 2.82, 2.87 A)
&rst
ixpk= 403, nxpk= 10, iat= 400, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 TRP HA 26 LEU HN 6.00 (# 404:10 Unique 3.41, 3.49 A)
&rst
ixpk= 404, nxpk= 10, iat= 376, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 GLY HN 26 LEU HN 6.00 (# 405:10 Unique 2.41, 2.76 A)
&rst
ixpk= 405, nxpk= 10, iat= 417, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:406 9 ASP HN 6.00 (# 406:10 Single Ambig)
&rst
ixpk= 406, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 156, 157, 226,
&end
#
# 0 AMB 10-2:407 9 ASP HN 6.00 (# 407:10 Single Ambig)
&rst
ixpk= 407, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 156, 157, 165,
&end
#
# 25 TRP HH2 9 ASP HN 6.00 (# 408:10 Unique 3.12, 3.36 A)
&rst
ixpk= 408, nxpk= 10, iat= 389, 143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 GLN HE2- 27 GLY HN 6.00 (# 409:10 Unique 3.63, 5.70 A)
&rst
ixpk= 409, nxpk= 10, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 345, 346,
&end
#
# 0 AMB 10-2:410 32 ALA HN 6.00 (# 410:10 Single Ambig)
&rst
ixpk= 410, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452, 488, 489,
&end
#
# 29 ASP HB- 32 ALA HN 6.00 (# 411:10 Unique 3.51, 4.68 A)
&rst
ixpk= 411, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 442, 443,
&end
#
# 31 ALA HN 33 PHE HN 6.00 (# 412:10 Unique 4.49, 4.67 A)
&rst
ixpk= 412, nxpk= 10, iat= 464, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 PRO HB+ 39 LEU HN 6.00 (# 413:10 Unique 2.84, 3.99 A)
&rst
ixpk= 413, nxpk= 10, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 566, 567,
&end
#
# 42 ILE HN 41 ALA HN 6.00 (# 414:10 Unique 2.35, 3.78 A)
&rst
ixpk= 414, nxpk= 10, iat= 628, 618, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ILE HN 43 LEU HN 6.00 (# 415:10 Unique 2.57, 3.18 A)
&rst
ixpk= 415, nxpk= 10, iat= 628, 647, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
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