NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
562938 |
2ltu   |
18497 | cing | 1-original | 4 | AMBER | distance | NOE | simple |
#
# 12 ASP O 16 VAL HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 172, 211, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,
rk2=50.0, rk3=50.0, ir6=1, ialtd=1,
&end
#
# 13 ASP O 17 LYS HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 184, 227, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 15 ALA O 19 VAL HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 209, 264, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 18 GLU O 22 LYS HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 262, 306, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 27 GLU O 31 MET HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 401, 445, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 28 SER O 32 ASN HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 412, 462, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 31 MET O 34 LEU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 460, 487, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 32 ASN O 35 TYR HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 474, 506, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 41 ASP O 45 VAL HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 598, 646, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 45 VAL O 49 LEU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 660, 710, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 46 ALA O 50 ILE HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 670, 729, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 48 HIS O 52 ASP HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 708, 767, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 52 ASP O 56 ILE HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 777, 841, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 53 ASN O 57 MET HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 791, 860, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 0 AMB 15-2:0 12 ASP HN 4.50 (# 0:15 Single Ambig)
&rst
ixpk= 0, nxpk= 15, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 205, 206, 207, 153, 154,
&end
#
# 11 ILE HA 12 ASP HN 2.80 (# 2:15 Unique 2.14, 2.16 A)
&rst
ixpk= 2, nxpk= 15, iat= 145, 162, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 ASP HB+ 12 ASP HN 3.50 (# 3:15 Unique 2.41, 2.61 A)
&rst
ixpk= 3, nxpk= 15, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 166, 167,
&end
#
# 12 ASP HB- 12 ASP HN 3.50 (# 4:15 Unique 2.41, 2.61 A)
&rst
ixpk= 4, nxpk= 15, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 166, 167,
&end
#
# 11 ILE HB 12 ASP HN 5.50 (# 5:15 Unique 3.93, 4.11 A)
&rst
ixpk= 5, nxpk= 15, iat= 147, 162, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 VAL MGY 12 ASP HN 5.50 (# 6:15 Unique 3.43, 5.51 A)
&rst
ixpk= 6, nxpk= 15, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 0 AMB 15-2:7 12 ASP HN 7.00 (# 7:15 Single Ambig)
&rst
ixpk= 7, nxpk= 15, iat= -1, 162, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 217, 218, 219, 221, 222, 223, 133, 134, 135, 137,
138, 139,
&end
#
# 11 ILE QG2 12 ASP HN 3.50 (# 8:15 Unique 2.35, 3.50 A)
&rst
ixpk= 8, nxpk= 15, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 149, 150, 151,
&end
#
# 51 ILE QD1 12 ASP HN 5.50 (# 9:15 Unique 4.48, 5.14 A)
&rst
ixpk= 9, nxpk= 15, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 761, 762, 763,
&end
#
# 13 ASP HA 13 ASP HN 3.50 (# 14:15 Unique 2.75, 2.76 A)
&rst
ixpk= 14, nxpk= 15, iat= 176, 174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:15 13 ASP HN 2.80 (# 15:15 Single Ambig)
&rst
ixpk= 15, nxpk= 15, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 178, 179, 178, 179,
&end
#
# 12 ASP HB- 13 ASP HN 5.50 (# 16:15 Unique 4.22, 4.42 A)
&rst
ixpk= 16, nxpk= 15, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 166, 167,
&end
#
# 11 ILE QG2 13 ASP HN 5.50 (# 17:15 Unique 3.76, 5.20 A)
&rst
ixpk= 17, nxpk= 15, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 149, 150, 151,
&end
#
# 61 SER HA 62 GLU HN 4.50 (# 18:15 Unique 2.14, 2.18 A)
&rst
ixpk= 18, nxpk= 15, iat= 920, 929, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 ILE HA 11 ILE HN 4.50 (# 21:15 Unique 2.85, 2.92 A)
&rst
ixpk= 21, nxpk= 15, iat= 145, 143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 VAL HA 11 ILE HN 2.80 (# 22:15 Unique 2.17, 2.29 A)
&rst
ixpk= 22, nxpk= 15, iat= 129, 143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 10 VAL HB 11 ILE HN 4.50 (# 23:15 Unique 2.22, 3.30 A)
&rst
ixpk= 23, nxpk= 15, iat= 131, 143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 ILE HB 11 ILE HN 2.80 (# 24:15 Unique 2.50, 2.63 A)
&rst
ixpk= 24, nxpk= 15, iat= 147, 143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 11 ILE HG1- 11 ILE HN 5.50 (# 25:15 Unique 2.04, 2.98 A)
&rst
ixpk= 25, nxpk= 15, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 153, 154,
&end
#
# 11 ILE HG1+ 11 ILE HN 4.50 (# 26:15 Unique 2.04, 2.98 A)
&rst
ixpk= 26, nxpk= 15, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 153, 154,
&end
#
# 10 VAL MGY 11 ILE HN 4.50 (# 27:15 Unique 1.98, 4.15 A)
&rst
ixpk= 27, nxpk= 15, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 133, 134, 135, 137, 138, 139,
&end
#
# 11 ILE QG2 11 ILE HN 4.50 (# 28:15 Unique 4.38, 4.60 A)
&rst
ixpk= 28, nxpk= 15, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 149, 150, 151,
&end
#
# 59 GLN HA 60 ALA HN 4.50 (# 32:15 Unique 3.46, 3.52 A)
&rst
ixpk= 32, nxpk= 15, iat= 893, 908, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 ALA MB 60 ALA HN 5.50 (# 33:15 Unique 2.08, 3.03 A)
&rst
ixpk= 33, nxpk= 15, iat= -1, 908, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 912, 913, 914,
&end
#
# 7 ASP HA 8 ALA HN 3.50 (# 36:15 Unique 2.14, 2.43 A)
&rst
ixpk= 36, nxpk= 15, iat= 93, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 ALA HA 8 ALA HN 4.50 (# 37:15 Unique 2.85, 2.91 A)
&rst
ixpk= 37, nxpk= 15, iat= 105, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 ALA MB 8 ALA HN 3.50 (# 38:15 Unique 2.11, 2.98 A)
&rst
ixpk= 38, nxpk= 15, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 107, 108, 109,
&end
#
# 9 ASN HA 8 ALA HN 5.50 (# 39:15 Unique 4.68, 4.87 A)
&rst
ixpk= 39, nxpk= 15, iat= 115, 103, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 ASP HB+ 8 ALA HN 5.50 (# 40:15 Unique 2.21, 3.99 A)
&rst
ixpk= 40, nxpk= 15, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 95, 96,
&end
#
# 7 ASP HB- 8 ALA HN 5.50 (# 41:15 Unique 2.21, 3.99 A)
&rst
ixpk= 41, nxpk= 15, iat= -1, 103, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 95, 96,
&end
#
# 41 ASP HA 42 GLN HN 2.80 (# 42:15 Unique 2.24, 2.30 A)
&rst
ixpk= 42, nxpk= 15, iat= 590, 600, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 GLN HA 42 GLN HN 3.50 (# 43:15 Unique 2.75, 2.75 A)
&rst
ixpk= 43, nxpk= 15, iat= 602, 600, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:44 42 GLN HN 5.50 (# 44:15 Single Ambig)
&rst
ixpk= 44, nxpk= 15, iat= -1, 600, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 592, 593, 592, 593,
&end
#
# 42 GLN HG+ 42 GLN HN 4.50 (# 45:15 Unique 2.31, 3.20 A)
&rst
ixpk= 45, nxpk= 15, iat= -1, 600, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 607, 608,
&end
#
# 42 GLN HG- 42 GLN HN 5.50 (# 46:15 Unique 2.31, 3.20 A)
&rst
ixpk= 46, nxpk= 15, iat= -1, 600, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 607, 608,
&end
#
# 0 AMB 15-2:47 42 GLN HN 2.80 (# 47:15 Single Ambig)
&rst
ixpk= 47, nxpk= 15, iat= -1, 600, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 604, 605, 604, 605,
&end
#
# 15 ALA HA 15 ALA HN 4.50 (# 49:15 Unique 2.84, 2.87 A)
&rst
ixpk= 49, nxpk= 15, iat= 203, 201, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 GLU HA 15 ALA HN 5.50 (# 50:15 Unique 3.48, 3.54 A)
&rst
ixpk= 50, nxpk= 15, iat= 188, 201, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 GLU HG+ 15 ALA HN 5.50 (# 52:15 Unique 4.17, 4.53 A)
&rst
ixpk= 52, nxpk= 15, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 193, 194,
&end
#
# 14 GLU HB- 15 ALA HN 3.50 (# 53:15 Unique 2.40, 3.09 A)
&rst
ixpk= 53, nxpk= 15, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 190, 191,
&end
#
# 15 ALA MB 15 ALA HN 2.80 (# 54:15 Unique 2.09, 2.91 A)
&rst
ixpk= 54, nxpk= 15, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 205, 206, 207,
&end
#
# 16 VAL MGY 15 ALA HN 5.50 (# 55:15 Unique 4.10, 5.87 A)
&rst
ixpk= 55, nxpk= 15, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 0 AMB 15-2:56 15 ALA HN 5.50 (# 56:15 Single Ambig)
&rst
ixpk= 56, nxpk= 15, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 754, 755, 756, 735, 736, 737,
&end
#
# 33 SER HA 34 LEU HN 5.50 (# 60:15 Unique 3.40, 3.40 A)
&rst
ixpk= 60, nxpk= 15, iat= 478, 487, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:61 34 LEU HN 2.80 (# 61:15 Single Ambig)
&rst
ixpk= 61, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 489, 447,
&end
#
# 33 SER HB+ 34 LEU HN 4.50 (# 62:15 Unique 3.21, 3.55 A)
&rst
ixpk= 62, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 480, 481,
&end
#
# 34 LEU HB+ 34 LEU HN 2.80 (# 63:15 Unique 2.64, 3.13 A)
&rst
ixpk= 63, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 491, 492,
&end
#
# 34 LEU HG 34 LEU HN 2.80 (# 64:15 Unique 2.02, 2.07 A)
&rst
ixpk= 64, nxpk= 15, iat= 494, 487, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 LEU HB- 34 LEU HN 4.50 (# 66:15 Unique 2.64, 3.13 A)
&rst
ixpk= 66, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 491, 492,
&end
#
# 0 AMB 15-2:67 34 LEU HN 5.50 (# 67:15 Single Ambig)
&rst
ixpk= 67, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 435, 436, 437, 439, 440, 441, 626, 627, 628, 630,
631, 632,
&end
#
# 34 LEU MDY 34 LEU HN 4.50 (# 68:15 Unique 2.90, 4.10 A)
&rst
ixpk= 68, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 34 LEU MDX 34 LEU HN 4.50 (# 69:15 Unique 2.90, 4.10 A)
&rst
ixpk= 69, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 15-2:70 41 ASP HN 2.80 (# 70:15 Single Ambig)
&rst
ixpk= 70, nxpk= 15, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 590, 573,
&end
#
# 0 AMB 15-2:72 41 ASP HN 2.80 (# 72:15 Single Ambig)
&rst
ixpk= 72, nxpk= 15, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 592, 593, 592, 593,
&end
#
# 0 AMB 15-2:73 41 ASP HN 5.50 (# 73:15 Single Ambig)
&rst
ixpk= 73, nxpk= 15, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 578, 579, 575, 576,
&end
#
# 40 GLN HB- 41 ASP HN 4.50 (# 74:15 Unique 3.50, 4.32 A)
&rst
ixpk= 74, nxpk= 15, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 575, 576,
&end
#
# 44 ALA MB 41 ASP HN 5.50 (# 75:15 Unique 1.96, 3.03 A)
&rst
ixpk= 75, nxpk= 15, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 640, 641, 642,
&end
#
# 45 VAL MGY 41 ASP HN 5.50 (# 76:15 Unique 3.49, 5.66 A)
&rst
ixpk= 76, nxpk= 15, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 0 AMB 15-2:79 0 AMB 15-1:79 5.50 (# 79:15 Double Ambig)
&rst
ixpk= 79, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 61, 464,
igr2= 91, 487,
&end
#
# 6 TYR HB- 7 ASP HN 5.50 (# 80:15 Unique 3.29, 4.38 A)
&rst
ixpk= 80, nxpk= 15, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 74, 75,
&end
#
# 7 ASP HB+ 7 ASP HN 4.50 (# 81:15 Unique 2.23, 3.11 A)
&rst
ixpk= 81, nxpk= 15, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 95, 96,
&end
#
# 0 AMB 15-2:83 7 ASP HN 2.80 (# 83:15 Single Ambig)
&rst
ixpk= 83, nxpk= 15, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 72, 93,
&end
#
# 6 TYR HB+ 7 ASP HN 5.50 (# 84:15 Unique 3.29, 4.38 A)
&rst
ixpk= 84, nxpk= 15, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 74, 75,
&end
#
# 7 ASP HB- 7 ASP HN 4.50 (# 85:15 Unique 2.23, 3.11 A)
&rst
ixpk= 85, nxpk= 15, iat= -1, 91, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 95, 96,
&end
#
# 26 THR HA 27 GLU HN 2.80 (# 87:15 Unique 2.25, 2.30 A)
&rst
ixpk= 87, nxpk= 15, iat= 376, 388, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 THR HB 27 GLU HN 2.80 (# 88:15 Unique 2.54, 2.68 A)
&rst
ixpk= 88, nxpk= 15, iat= 378, 388, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 27 GLU HA 27 GLU HN 3.50 (# 89:15 Unique 2.76, 2.78 A)
&rst
ixpk= 89, nxpk= 15, iat= 390, 388, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 GLU HG+ 27 GLU HN 4.50 (# 90:15 Unique 1.97, 2.63 A)
&rst
ixpk= 90, nxpk= 15, iat= -1, 388, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 395, 396,
&end
#
# 27 GLU HB+ 27 GLU HN 2.80 (# 91:15 Unique 2.51, 3.08 A)
&rst
ixpk= 91, nxpk= 15, iat= -1, 388, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 392, 393,
&end
#
# 26 THR MG2 27 GLU HN 4.50 (# 92:15 Unique 3.66, 4.70 A)
&rst
ixpk= 92, nxpk= 15, iat= -1, 388, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 380, 381, 382,
&end
#
# 16 VAL MGX 27 GLU HN 5.50 (# 93:15 Unique 4.52, 6.75 A)
&rst
ixpk= 93, nxpk= 15, iat= -1, 388, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 5 SER HB- 6 TYR HN 5.50 (# 95:15 Unique 2.29, 3.90 A)
&rst
ixpk= 95, nxpk= 15, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 63, 64,
&end
#
# 6 TYR HB+ 6 TYR HN 5.50 (# 96:15 Unique 2.30, 3.09 A)
&rst
ixpk= 96, nxpk= 15, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 74, 75,
&end
#
# 6 TYR HA 6 TYR HN 5.50 (# 100:15 Unique 2.27, 2.86 A)
&rst
ixpk= 100, nxpk= 15, iat= 72, 70, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:101 0 AMB 15-1:101 3.50 (# 101:15 Double Ambig)
&rst
ixpk= 101, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 61, 862,
igr2= 70, 860,
&end
#
# 6 TYR HB- 6 TYR HN 5.50 (# 102:15 Unique 2.30, 3.09 A)
&rst
ixpk= 102, nxpk= 15, iat= -1, 70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 74, 75,
&end
#
# 54 ARG HA 57 MET HN 7.00 (# 104:15 Unique 4.02, 4.16 A)
&rst
ixpk= 104, nxpk= 15, iat= 795, 860, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 56 ILE HA 57 MET HN 3.50 (# 105:15 Unique 3.46, 3.48 A)
&rst
ixpk= 105, nxpk= 15, iat= 843, 860, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 ASP HB- 57 MET HN 5.50 (# 106:15 Unique 6.85, 8.01 A)
&rst
ixpk= 106, nxpk= 15, iat= -1, 860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 771, 772,
&end
#
# 57 MET HB- 57 MET HN 3.50 (# 107:15 Unique 2.19, 2.70 A)
&rst
ixpk= 107, nxpk= 15, iat= -1, 860, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 864, 865,
&end
#
# 0 AMB 15-2:108 0 AMB 15-1:108 4.50 (# 108:15 Double Ambig)
&rst
ixpk= 108, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 845, 46, 47,
igr2= 860, 70,
&end
#
# 0 AMB 15-2:109 0 AMB 15-1:109 5.50 (# 109:15 Double Ambig)
&rst
ixpk= 109, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.21, r4= 9.96,
igr1= 133, 134, 135, 137, 138, 139, 847, 848, 849, 824,
825,
igr2= 70, 860,
&end
#
# 51 ILE HG1- 52 ASP HN 4.50 (# 111:15 Unique 3.82, 4.31 A)
&rst
ixpk= 111, nxpk= 15, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 758, 759,
&end
#
# 0 AMB 15-2:112 52 ASP HN 5.50 (# 112:15 Single Ambig)
&rst
ixpk= 112, nxpk= 15, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 758, 759, 824, 825,
&end
#
# 29 GLU HA 29 GLU HN 3.50 (# 113:15 Unique 2.77, 2.81 A)
&rst
ixpk= 113, nxpk= 15, iat= 416, 414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:114 29 GLU HN 4.50 (# 114:15 Single Ambig)
&rst
ixpk= 114, nxpk= 15, iat= -1, 414, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 407, 408, 407, 408,
&end
#
# 27 GLU HA 29 GLU HN 5.50 (# 115:15 Unique 3.90, 4.37 A)
&rst
ixpk= 115, nxpk= 15, iat= 390, 414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:116 29 GLU HN 2.80 (# 116:15 Single Ambig)
&rst
ixpk= 116, nxpk= 15, iat= -1, 414, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 418, 419, 421, 422, 421, 422,
&end
#
# 0 AMB 15-2:117 29 GLU HN 5.50 (# 117:15 Single Ambig)
&rst
ixpk= 117, nxpk= 15, iat= -1, 414, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 392, 393, 449, 450,
&end
#
# 29 GLU HB- 29 GLU HN 4.50 (# 118:15 Unique 2.27, 2.99 A)
&rst
ixpk= 118, nxpk= 15, iat= -1, 414, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 418, 419,
&end
#
# 26 THR MG2 29 GLU HN 5.50 (# 119:15 Unique 4.50, 5.09 A)
&rst
ixpk= 119, nxpk= 15, iat= -1, 414, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 380, 381, 382,
&end
#
# 30 VAL MGY 29 GLU HN 5.50 (# 120:15 Unique 3.93, 6.15 A)
&rst
ixpk= 120, nxpk= 15, iat= -1, 414, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 33 SER HB- 44 ALA HN 7.00 (# 121:15 Unique 3.07, 3.65 A)
&rst
ixpk= 121, nxpk= 15, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 480, 481,
&end
#
# 44 ALA HA 44 ALA HN 3.50 (# 122:15 Unique 2.81, 2.82 A)
&rst
ixpk= 122, nxpk= 15, iat= 638, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 SER HB+ 44 ALA HN 4.50 (# 123:15 Unique 3.07, 3.65 A)
&rst
ixpk= 123, nxpk= 15, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 480, 481,
&end
#
# 43 LEU HA 44 ALA HN 5.50 (# 124:15 Unique 3.51, 3.53 A)
&rst
ixpk= 124, nxpk= 15, iat= 619, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 LEU HB+ 44 ALA HN 3.50 (# 126:15 Unique 2.51, 3.12 A)
&rst
ixpk= 126, nxpk= 15, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 621, 622,
&end
#
# 46 ALA MB 44 ALA HN 7.00 (# 127:15 Unique 5.55, 6.36 A)
&rst
ixpk= 127, nxpk= 15, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 666, 667, 668,
&end
#
# 43 LEU HG 44 ALA HN 5.50 (# 128:15 Unique 4.23, 4.45 A)
&rst
ixpk= 128, nxpk= 15, iat= 624, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 ALA MB 44 ALA HN 2.80 (# 129:15 Unique 2.29, 2.89 A)
&rst
ixpk= 129, nxpk= 15, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 640, 641, 642,
&end
#
# 43 LEU HB- 44 ALA HN 4.50 (# 130:15 Unique 2.51, 3.12 A)
&rst
ixpk= 130, nxpk= 15, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 621, 622,
&end
#
# 0 AMB 15-2:131 44 ALA HN 5.50 (# 131:15 Single Ambig)
&rst
ixpk= 131, nxpk= 15, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 652, 653, 654, 656, 657, 658, 435, 436, 437, 439,
440, 441, 626, 627, 628, 630, 631, 632,
&end
#
# 52 ASP HA 52 ASP HN 3.50 (# 135:15 Unique 2.86, 2.88 A)
&rst
ixpk= 135, nxpk= 15, iat= 769, 767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 LEU HA 52 ASP HN 4.50 (# 136:15 Unique 3.66, 3.70 A)
&rst
ixpk= 136, nxpk= 15, iat= 712, 767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 ILE HA 52 ASP HN 5.50 (# 137:15 Unique 3.49, 3.49 A)
&rst
ixpk= 137, nxpk= 15, iat= 750, 767, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ASP HB+ 52 ASP HN 2.80 (# 138:15 Unique 2.32, 2.58 A)
&rst
ixpk= 138, nxpk= 15, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 771, 772,
&end
#
# 52 ASP HB- 52 ASP HN 3.50 (# 139:15 Unique 2.32, 2.58 A)
&rst
ixpk= 139, nxpk= 15, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 771, 772,
&end
#
# 51 ILE HB 52 ASP HN 3.50 (# 140:15 Unique 2.79, 2.85 A)
&rst
ixpk= 140, nxpk= 15, iat= 752, 767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:141 52 ASP HN 4.50 (# 141:15 Single Ambig)
&rst
ixpk= 141, nxpk= 15, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 754, 755, 756, 735, 736, 737,
&end
#
# 0 AMB 15-2:146 19 VAL HN 4.50 (# 146:15 Single Ambig)
&rst
ixpk= 146, nxpk= 15, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 251, 203,
&end
#
# 19 VAL HA 19 VAL HN 4.50 (# 147:15 Unique 2.79, 2.83 A)
&rst
ixpk= 147, nxpk= 15, iat= 266, 264, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 VAL HA 19 VAL HN 5.50 (# 148:15 Unique 3.53, 3.60 A)
&rst
ixpk= 148, nxpk= 15, iat= 213, 264, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:149 19 VAL HN 2.80 (# 149:15 Single Ambig)
&rst
ixpk= 149, nxpk= 15, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 268, 256, 257,
&end
#
# 18 GLU HB- 19 VAL HN 3.50 (# 150:15 Unique 2.41, 3.13 A)
&rst
ixpk= 150, nxpk= 15, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 253, 254,
&end
#
# 15 ALA MB 19 VAL HN 7.00 (# 151:15 Unique 4.94, 5.59 A)
&rst
ixpk= 151, nxpk= 15, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 205, 206, 207,
&end
#
# 19 VAL MGY 19 VAL HN 4.50 (# 152:15 Unique 1.95, 3.04 A)
&rst
ixpk= 152, nxpk= 15, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 19 VAL MGX 19 VAL HN 4.50 (# 153:15 Unique 1.95, 3.04 A)
&rst
ixpk= 153, nxpk= 15, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 50 ILE QD1 19 VAL HN 4.50 (# 154:15 Unique 2.86, 3.33 A)
&rst
ixpk= 154, nxpk= 15, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 742, 743, 744,
&end
#
# 0 AMB 15-2:155 19 VAL HN 5.50 (# 155:15 Single Ambig)
&rst
ixpk= 155, nxpk= 15, iat= -1, 264, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 735, 736, 737, 435, 436, 437, 439, 440, 441,
&end
#
# 45 VAL HA 49 LEU HN 5.50 (# 156:15 Unique 4.16, 4.18 A)
&rst
ixpk= 156, nxpk= 15, iat= 648, 710, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ALA HA 46 ALA HN 3.50 (# 160:15 Unique 2.74, 2.75 A)
&rst
ixpk= 160, nxpk= 15, iat= 664, 662, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:161 46 ALA HN 5.50 (# 161:15 Single Ambig)
&rst
ixpk= 161, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 602, 638,
&end
#
# 0 AMB 15-2:162 46 ALA HN 4.50 (# 162:15 Single Ambig)
&rst
ixpk= 162, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 619, 648,
&end
#
# 45 VAL HB 46 ALA HN 3.50 (# 163:15 Unique 2.36, 2.38 A)
&rst
ixpk= 163, nxpk= 15, iat= 650, 662, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ALA MB 46 ALA HN 2.80 (# 164:15 Unique 2.22, 2.89 A)
&rst
ixpk= 164, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 666, 667, 668,
&end
#
# 45 VAL MGY 46 ALA HN 4.50 (# 165:15 Unique 3.38, 4.35 A)
&rst
ixpk= 165, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 0 AMB 15-2:171 49 LEU HN 2.80 (# 171:15 Single Ambig)
&rst
ixpk= 171, nxpk= 15, iat= -1, 710, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 712, 664,
&end
#
# 0 AMB 15-2:172 49 LEU HN 3.50 (# 172:15 Single Ambig)
&rst
ixpk= 172, nxpk= 15, iat= -1, 710, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 697, 698, 697, 698,
&end
#
# 49 LEU HB+ 49 LEU HN 2.80 (# 173:15 Unique 2.11, 2.56 A)
&rst
ixpk= 173, nxpk= 15, iat= -1, 710, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 714, 715,
&end
#
# 49 LEU HB- 49 LEU HN 2.80 (# 174:15 Unique 2.11, 2.56 A)
&rst
ixpk= 174, nxpk= 15, iat= -1, 710, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 714, 715,
&end
#
# 0 AMB 15-2:175 49 LEU HN 4.50 (# 175:15 Single Ambig)
&rst
ixpk= 175, nxpk= 15, iat= -1, 710, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725,
&end
#
# 49 LEU HB+ 46 ALA HN 5.50 (# 177:15 Unique 3.86, 4.32 A)
&rst
ixpk= 177, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 714, 715,
&end
#
# 49 LEU HB- 46 ALA HN 5.50 (# 178:15 Unique 3.86, 4.32 A)
&rst
ixpk= 178, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 714, 715,
&end
#
# 58 ASN HA 59 GLN HN 5.50 (# 180:15 Unique 2.14, 2.46 A)
&rst
ixpk= 180, nxpk= 15, iat= 879, 891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 ASP HA 38 ASP HN 4.50 (# 181:15 Unique 2.93, 2.93 A)
&rst
ixpk= 181, nxpk= 15, iat= 547, 545, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 SER HA 38 ASP HN 7.00 (# 182:15 Unique 6.97, 6.99 A)
&rst
ixpk= 182, nxpk= 15, iat= 529, 545, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 33 SER HB+ 38 ASP HN 4.50 (# 183:15 Unique 5.54, 6.66 A)
&rst
ixpk= 183, nxpk= 15, iat= -1, 545, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 480, 481,
&end
#
# 38 ASP HB- 38 ASP HN 3.50 (# 184:15 Unique 2.23, 2.79 A)
&rst
ixpk= 184, nxpk= 15, iat= -1, 545, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 0 AMB 15-2:185 38 ASP HN 5.50 (# 185:15 Single Ambig)
&rst
ixpk= 185, nxpk= 15, iat= -1, 545, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 592, 593, 592, 593,
&end
#
# 38 ASP HB+ 38 ASP HN 3.50 (# 186:15 Unique 2.23, 2.79 A)
&rst
ixpk= 186, nxpk= 15, iat= -1, 545, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 0 AMB 15-2:190 18 GLU HN 2.80 (# 190:15 Single Ambig)
&rst
ixpk= 190, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 251, 203,
&end
#
# 17 LYS HA 18 GLU HN 5.50 (# 191:15 Unique 3.47, 3.50 A)
&rst
ixpk= 191, nxpk= 15, iat= 229, 249, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 GLU HG- 18 GLU HN 4.50 (# 192:15 Unique 2.25, 2.97 A)
&rst
ixpk= 192, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 256, 257,
&end
#
# 14 GLU HG+ 18 GLU HN 7.00 (# 193:15 Unique 6.96, 7.62 A)
&rst
ixpk= 193, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 193, 194,
&end
#
# 0 AMB 15-2:194 18 GLU HN 2.80 (# 194:15 Single Ambig)
&rst
ixpk= 194, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 253, 254, 256, 257,
&end
#
# 0 AMB 15-2:195 18 GLU HN 3.50 (# 195:15 Single Ambig)
&rst
ixpk= 195, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 231, 232, 231, 232,
&end
#
# 19 VAL MGY 18 GLU HN 7.00 (# 196:15 Unique 3.57, 5.04 A)
&rst
ixpk= 196, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 15-2:197 18 GLU HN 5.50 (# 197:15 Single Ambig)
&rst
ixpk= 197, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 742, 743, 744, 217, 218, 219, 221, 222, 223,
&end
#
# 53 ASN HA 59 GLN HN 7.00 (# 200:15 Unique 7.22, 9.15 A)
&rst
ixpk= 200, nxpk= 15, iat= 781, 891, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 53 ASN HA 54 ARG HN 5.50 (# 205:15 Unique 3.42, 3.45 A)
&rst
ixpk= 205, nxpk= 15, iat= 781, 793, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 ILE HA 54 ARG HN 5.50 (# 206:15 Unique 3.67, 3.87 A)
&rst
ixpk= 206, nxpk= 15, iat= 750, 793, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ASP HB+ 54 ARG HN 5.50 (# 207:15 Unique 4.74, 5.12 A)
&rst
ixpk= 207, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 771, 772,
&end
#
# 54 ARG HD+ 54 ARG HN 4.50 (# 208:15 Unique 1.95, 2.94 A)
&rst
ixpk= 208, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 803, 804,
&end
#
# 0 AMB 15-2:209 54 ARG HN 7.00 (# 209:15 Single Ambig)
&rst
ixpk= 209, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 754, 755, 756, 735, 736, 737,
&end
#
# 54 ARG HA 54 ARG HN 4.50 (# 210:15 Unique 2.76, 2.78 A)
&rst
ixpk= 210, nxpk= 15, iat= 795, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 ASN HB- 54 ARG HN 5.50 (# 211:15 Unique 3.00, 3.51 A)
&rst
ixpk= 211, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 783, 784,
&end
#
# 0 AMB 15-2:212 54 ARG HN 2.80 (# 212:15 Single Ambig)
&rst
ixpk= 212, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 803, 804, 797, 798,
&end
#
# 12 ASP HA 14 GLU HN 5.50 (# 214:15 Unique 3.54, 3.67 A)
&rst
ixpk= 214, nxpk= 15, iat= 164, 186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 ASP HA 14 GLU HN 4.50 (# 215:15 Unique 3.49, 3.52 A)
&rst
ixpk= 215, nxpk= 15, iat= 176, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 ALA HA 14 GLU HN 5.50 (# 216:15 Unique 5.28, 5.33 A)
&rst
ixpk= 216, nxpk= 15, iat= 203, 186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 GLU HA 14 GLU HN 3.50 (# 217:15 Unique 2.77, 2.80 A)
&rst
ixpk= 217, nxpk= 15, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:218 14 GLU HN 3.50 (# 218:15 Single Ambig)
&rst
ixpk= 218, nxpk= 15, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 178, 179, 178, 179,
&end
#
# 14 GLU HG+ 14 GLU HN 4.50 (# 220:15 Unique 2.12, 2.71 A)
&rst
ixpk= 220, nxpk= 15, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 193, 194,
&end
#
# 14 GLU HG- 14 GLU HN 4.50 (# 221:15 Unique 2.12, 2.71 A)
&rst
ixpk= 221, nxpk= 15, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 193, 194,
&end
#
# 14 GLU HB- 14 GLU HN 2.80 (# 222:15 Unique 2.40, 3.05 A)
&rst
ixpk= 222, nxpk= 15, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 190, 191,
&end
#
# 11 ILE HG1+ 14 GLU HN 7.00 (# 223:15 Unique 9.11, 9.51 A)
&rst
ixpk= 223, nxpk= 15, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 153, 154,
&end
#
# 0 AMB 15-2:226 50 ILE HN 5.50 (# 226:15 Single Ambig)
&rst
ixpk= 226, nxpk= 15, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 712, 664,
&end
#
# 47 TYR HA 50 ILE HN 5.50 (# 227:15 Unique 4.43, 4.46 A)
&rst
ixpk= 227, nxpk= 15, iat= 674, 729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 ILE HA 50 ILE HN 4.50 (# 228:15 Unique 2.91, 2.91 A)
&rst
ixpk= 228, nxpk= 15, iat= 731, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:229 50 ILE HN 2.80 (# 229:15 Single Ambig)
&rst
ixpk= 229, nxpk= 15, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 733, 714, 715,
&end
#
# 0 AMB 15-2:230 50 ILE HN 2.80 (# 230:15 Single Ambig)
&rst
ixpk= 230, nxpk= 15, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 739, 740, 714, 715,
&end
#
# 50 ILE HG1+ 50 ILE HN 4.50 (# 231:15 Unique 2.45, 3.26 A)
&rst
ixpk= 231, nxpk= 15, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 739, 740,
&end
#
# 0 AMB 15-2:232 50 ILE HN 4.50 (# 232:15 Single Ambig)
&rst
ixpk= 232, nxpk= 15, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 758, 759, 742, 743, 744,
&end
#
# 50 ILE QG2 50 ILE HN 4.50 (# 233:15 Unique 4.42, 4.56 A)
&rst
ixpk= 233, nxpk= 15, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 735, 736, 737,
&end
#
# 51 ILE HG1- 50 ILE HN 5.50 (# 234:15 Unique 3.40, 4.08 A)
&rst
ixpk= 234, nxpk= 15, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 758, 759,
&end
#
# 0 AMB 15-2:239 17 LYS HN 7.00 (# 239:15 Single Ambig)
&rst
ixpk= 239, nxpk= 15, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 203, 251,
&end
#
# 0 AMB 15-2:240 24 GLU HN 3.50 (# 240:15 Single Ambig)
&rst
ixpk= 240, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 352, 353, 352, 353,
&end
#
# 22 LYS HB+ 24 GLU HN 4.50 (# 241:15 Unique 4.09, 4.64 A)
&rst
ixpk= 241, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 310, 311,
&end
#
# 7 ASP HA 10 VAL HN 7.00 (# 242:15 Unique 3.29, 4.47 A)
&rst
ixpk= 242, nxpk= 15, iat= 93, 127, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 14 GLU HA 17 LYS HN 5.50 (# 246:15 Unique 3.65, 3.85 A)
&rst
ixpk= 246, nxpk= 15, iat= 188, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 LYS HA 17 LYS HN 4.50 (# 247:15 Unique 2.85, 2.87 A)
&rst
ixpk= 247, nxpk= 15, iat= 229, 227, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 VAL HB 17 LYS HN 3.50 (# 248:15 Unique 2.77, 2.91 A)
&rst
ixpk= 248, nxpk= 15, iat= 215, 227, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 GLU HG+ 17 LYS HN 7.00 (# 249:15 Unique 4.07, 4.83 A)
&rst
ixpk= 249, nxpk= 15, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 256, 257,
&end
#
# 0 AMB 15-2:250 17 LYS HN 2.80 (# 250:15 Single Ambig)
&rst
ixpk= 250, nxpk= 15, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 231, 232, 231, 232,
&end
#
# 0 AMB 15-2:251 17 LYS HN 5.50 (# 251:15 Single Ambig)
&rst
ixpk= 251, nxpk= 15, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 270, 271, 272, 274, 275, 276, 217, 218, 219, 221,
222, 223,
&end
#
# 16 VAL MGX 17 LYS HN 4.50 (# 252:15 Unique 4.01, 4.71 A)
&rst
ixpk= 252, nxpk= 15, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 0 AMB 15-2:254 17 LYS HN 7.00 (# 254:15 Single Ambig)
&rst
ixpk= 254, nxpk= 15, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 178, 179, 178, 179,
&end
#
# 52 ASP HA 55 ARG HN 4.50 (# 255:15 Unique 3.51, 3.74 A)
&rst
ixpk= 255, nxpk= 15, iat= 769, 817, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 GLU HA 30 VAL HN 5.50 (# 256:15 Unique 3.45, 3.48 A)
&rst
ixpk= 256, nxpk= 15, iat= 416, 429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 GLU HA 30 VAL HN 4.50 (# 257:15 Unique 3.35, 3.57 A)
&rst
ixpk= 257, nxpk= 15, iat= 390, 429, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 VAL HA 30 VAL HN 4.50 (# 258:15 Unique 2.80, 2.86 A)
&rst
ixpk= 258, nxpk= 15, iat= 431, 429, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 GLU HB+ 30 VAL HN 3.50 (# 259:15 Unique 2.68, 3.36 A)
&rst
ixpk= 259, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 418, 419,
&end
#
# 30 VAL HB 30 VAL HN 2.80 (# 260:15 Unique 2.48, 2.49 A)
&rst
ixpk= 260, nxpk= 15, iat= 433, 429, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 29 GLU HB- 30 VAL HN 4.50 (# 261:15 Unique 2.68, 3.36 A)
&rst
ixpk= 261, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 418, 419,
&end
#
# 30 VAL MGY 30 VAL HN 2.80 (# 262:15 Unique 2.18, 3.84 A)
&rst
ixpk= 262, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 16 VAL MGX 30 VAL HN 7.00 (# 263:15 Unique 4.61, 6.65 A)
&rst
ixpk= 263, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 30 VAL MGX 30 VAL HN 4.50 (# 264:15 Unique 2.18, 3.84 A)
&rst
ixpk= 264, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 13 ASP HA 17 LYS HN 5.50 (# 271:15 Unique 3.94, 4.14 A)
&rst
ixpk= 271, nxpk= 15, iat= 176, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 VAL HA 17 LYS HN 5.50 (# 272:15 Unique 3.45, 3.48 A)
&rst
ixpk= 272, nxpk= 15, iat= 213, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 LYS HG+ 17 LYS HN 4.50 (# 273:15 Unique 2.45, 3.40 A)
&rst
ixpk= 273, nxpk= 15, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 234, 235,
&end
#
# 17 LYS HG- 17 LYS HN 5.50 (# 274:15 Unique 2.45, 3.40 A)
&rst
ixpk= 274, nxpk= 15, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 234, 235,
&end
#
# 27 GLU HG- 17 LYS HN 5.50 (# 275:15 Unique 4.61, 5.86 A)
&rst
ixpk= 275, nxpk= 15, iat= -1, 227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 395, 396,
&end
#
# 54 ARG HD+ 55 ARG HN 4.50 (# 276:15 Unique 4.38, 5.14 A)
&rst
ixpk= 276, nxpk= 15, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 803, 804,
&end
#
# 0 AMB 15-2:277 0 AMB 15-1:277 2.80 (# 277:15 Double Ambig)
&rst
ixpk= 277, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 129, 819,
igr2= 127, 817,
&end
#
# 9 ASN HB- 10 VAL HN 4.50 (# 278:15 Unique 2.01, 3.12 A)
&rst
ixpk= 278, nxpk= 15, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 117, 118,
&end
#
# 0 AMB 15-2:279 0 AMB 15-1:279 2.80 (# 279:15 Double Ambig)
&rst
ixpk= 279, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 131, 821, 822, 821, 822,
igr2= 127, 817,
&end
#
# 0 AMB 15-2:285 0 AMB 15-1:285 5.50 (# 285:15 Double Ambig)
&rst
ixpk= 285, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 602, 922, 923,
igr2= 617, 877,
&end
#
# 46 ALA MB 43 LEU HN 7.00 (# 286:15 Unique 5.32, 6.07 A)
&rst
ixpk= 286, nxpk= 15, iat= -1, 617, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 666, 667, 668,
&end
#
# 0 AMB 15-2:287 0 AMB 15-1:287 4.50 (# 287:15 Double Ambig)
&rst
ixpk= 287, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 293, 664, 251,
igr2= 306, 672,
&end
#
# 22 LYS HA 22 LYS HN 3.50 (# 288:15 Unique 2.81, 2.85 A)
&rst
ixpk= 288, nxpk= 15, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:289 0 AMB 15-1:289 4.50 (# 289:15 Double Ambig)
&rst
ixpk= 289, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 266, 648,
igr2= 306, 672,
&end
#
# 21 GLU HG+ 22 LYS HN 3.50 (# 290:15 Unique 2.22, 2.87 A)
&rst
ixpk= 290, nxpk= 15, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 298, 299,
&end
#
# 22 LYS HB+ 22 LYS HN 3.50 (# 291:15 Unique 2.13, 2.67 A)
&rst
ixpk= 291, nxpk= 15, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 22 LYS HG+ 22 LYS HN 5.50 (# 292:15 Unique 2.63, 4.13 A)
&rst
ixpk= 292, nxpk= 15, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 313, 314,
&end
#
# 22 LYS HG- 22 LYS HN 5.50 (# 293:15 Unique 2.63, 4.13 A)
&rst
ixpk= 293, nxpk= 15, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 313, 314,
&end
#
# 47 TYR HD 47 TYR HN 5.50 (# 294:15 Unique 4.61, 4.71 A)
&rst
ixpk= 294, nxpk= 15, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 680, 689,
&end
#
# 44 ALA HA 47 TYR HN 4.50 (# 295:15 Unique 4.03, 4.04 A)
&rst
ixpk= 295, nxpk= 15, iat= 638, 672, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 TYR HA 47 TYR HN 3.50 (# 296:15 Unique 2.75, 2.76 A)
&rst
ixpk= 296, nxpk= 15, iat= 674, 672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 TYR HB- 47 TYR HN 3.50 (# 297:15 Unique 2.41, 2.53 A)
&rst
ixpk= 297, nxpk= 15, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 676, 677,
&end
#
# 0 AMB 15-2:298 0 AMB 15-1:298 2.80 (# 298:15 Double Ambig)
&rst
ixpk= 298, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 310, 311, 666, 667, 668,
igr2= 306, 672,
&end
#
# 19 VAL MGY 47 TYR HN 4.50 (# 299:15 Unique 2.99, 4.79 A)
&rst
ixpk= 299, nxpk= 15, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 20 CYS HB+ 22 LYS HN 7.00 (# 300:15 Unique 4.74, 5.19 A)
&rst
ixpk= 300, nxpk= 15, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 284, 285,
&end
#
# 58 ASN HA 55 ARG HN 7.00 (# 304:15 Unique 5.29, 7.26 A)
&rst
ixpk= 304, nxpk= 15, iat= 879, 817, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 15-2:305 55 ARG HN 3.50 (# 305:15 Single Ambig)
&rst
ixpk= 305, nxpk= 15, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 824, 825, 824, 825,
&end
#
# 57 MET HA 58 ASN HN 5.50 (# 310:15 Unique 3.46, 3.52 A)
&rst
ixpk= 310, nxpk= 15, iat= 862, 877, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 ASN HA 58 ASN HN 5.50 (# 312:15 Unique 2.27, 2.76 A)
&rst
ixpk= 312, nxpk= 15, iat= 879, 877, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:313 0 AMB 15-1:313 7.00 (# 313:15 Double Ambig)
&rst
ixpk= 313, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 590, 893,
igr2= 617, 877,
&end
#
# 43 LEU HA 43 LEU HN 4.50 (# 314:15 Unique 2.88, 2.91 A)
&rst
ixpk= 314, nxpk= 15, iat= 619, 617, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:315 0 AMB 15-1:315 4.50 (# 315:15 Double Ambig)
&rst
ixpk= 315, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 864, 865, 604, 605, 604, 605,
igr2= 877, 617,
&end
#
# 43 LEU HB+ 43 LEU HN 3.50 (# 316:15 Unique 2.35, 2.99 A)
&rst
ixpk= 316, nxpk= 15, iat= -1, 617, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 621, 622,
&end
#
# 43 LEU HG 43 LEU HN 2.80 (# 317:15 Unique 2.44, 2.73 A)
&rst
ixpk= 317, nxpk= 15, iat= 624, 617, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 LEU HG 43 LEU HN 7.00 (# 318:15 Unique 7.80, 7.93 A)
&rst
ixpk= 318, nxpk= 15, iat= 494, 617, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 43 LEU HB- 43 LEU HN 4.50 (# 319:15 Unique 2.35, 2.99 A)
&rst
ixpk= 319, nxpk= 15, iat= -1, 617, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 621, 622,
&end
#
# 43 LEU MDX 43 LEU HN 5.50 (# 320:15 Unique 3.51, 4.63 A)
&rst
ixpk= 320, nxpk= 15, iat= -1, 617, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 626, 627, 628, 630, 631, 632,
&end
#
# 43 LEU MDY 43 LEU HN 4.50 (# 321:15 Unique 3.51, 4.63 A)
&rst
ixpk= 321, nxpk= 15, iat= -1, 617, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 626, 627, 628, 630, 631, 632,
&end
#
# 47 TYR HB+ 47 TYR HN 2.80 (# 322:15 Unique 2.41, 2.53 A)
&rst
ixpk= 322, nxpk= 15, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 676, 677,
&end
#
# 0 AMB 15-2:323 47 TYR HN 5.50 (# 323:15 Single Ambig)
&rst
ixpk= 323, nxpk= 15, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 270, 271, 272, 274, 275, 276, 435, 436, 437, 439,
440, 441,
&end
#
# 42 GLN HG+ 43 LEU HN 7.00 (# 330:15 Unique 1.95, 2.84 A)
&rst
ixpk= 330, nxpk= 15, iat= -1, 617, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 607, 608,
&end
#
# 0 AMB 15-2:336 45 VAL HN 4.50 (# 336:15 Single Ambig)
&rst
ixpk= 336, nxpk= 15, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 602,
&end
#
# 0 AMB 15-2:337 45 VAL HN 7.00 (# 337:15 Single Ambig)
&rst
ixpk= 337, nxpk= 15, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 480, 481, 674,
&end
#
# 0 AMB 15-2:338 45 VAL HN 3.50 (# 338:15 Single Ambig)
&rst
ixpk= 338, nxpk= 15, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 648, 619,
&end
#
# 45 VAL HB 45 VAL HN 3.50 (# 339:15 Unique 2.49, 2.50 A)
&rst
ixpk= 339, nxpk= 15, iat= 650, 646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 ALA MB 45 VAL HN 3.50 (# 340:15 Unique 3.18, 3.82 A)
&rst
ixpk= 340, nxpk= 15, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 640, 641, 642,
&end
#
# 45 VAL MGY 45 VAL HN 2.80 (# 342:15 Unique 2.53, 3.95 A)
&rst
ixpk= 342, nxpk= 15, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 20 CYS HA 21 GLU HN 5.50 (# 350:15 Unique 3.46, 3.52 A)
&rst
ixpk= 350, nxpk= 15, iat= 282, 291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:351 21 GLU HN 3.50 (# 351:15 Single Ambig)
&rst
ixpk= 351, nxpk= 15, iat= -1, 291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 293, 251,
&end
#
# 20 CYS HB+ 21 GLU HN 4.50 (# 352:15 Unique 2.65, 3.29 A)
&rst
ixpk= 352, nxpk= 15, iat= -1, 291, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 284, 285,
&end
#
# 21 GLU HG- 21 GLU HN 4.50 (# 353:15 Unique 2.10, 2.65 A)
&rst
ixpk= 353, nxpk= 15, iat= -1, 291, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 298, 299,
&end
#
# 0 AMB 15-2:354 21 GLU HN 2.80 (# 354:15 Single Ambig)
&rst
ixpk= 354, nxpk= 15, iat= -1, 291, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 298, 299, 295, 296,
&end
#
# 17 LYS HA 21 GLU HN 5.50 (# 355:15 Unique 4.70, 4.80 A)
&rst
ixpk= 355, nxpk= 15, iat= 229, 291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 CYS HB- 21 GLU HN 5.50 (# 356:15 Unique 2.65, 3.29 A)
&rst
ixpk= 356, nxpk= 15, iat= -1, 291, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 284, 285,
&end
#
# 0 AMB 15-2:357 51 ILE HN 7.00 (# 357:15 Single Ambig)
&rst
ixpk= 357, nxpk= 15, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 739, 740, 803, 804, 714, 715,
&end
#
# 48 HIS HA 51 ILE HN 5.50 (# 359:15 Unique 2.89, 2.93 A)
&rst
ixpk= 359, nxpk= 15, iat= 695, 748, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 ILE HA 51 ILE HN 4.50 (# 360:15 Unique 2.88, 2.88 A)
&rst
ixpk= 360, nxpk= 15, iat= 750, 748, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 ILE HB 51 ILE HN 2.80 (# 361:15 Unique 2.73, 2.74 A)
&rst
ixpk= 361, nxpk= 15, iat= 752, 748, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 ILE HG1- 51 ILE HN 4.50 (# 362:15 Unique 1.92, 2.47 A)
&rst
ixpk= 362, nxpk= 15, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 758, 759,
&end
#
# 50 ILE HG1+ 51 ILE HN 5.50 (# 363:15 Unique 4.32, 4.81 A)
&rst
ixpk= 363, nxpk= 15, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 739, 740,
&end
#
# 51 ILE HG1+ 51 ILE HN 3.50 (# 364:15 Unique 1.92, 2.47 A)
&rst
ixpk= 364, nxpk= 15, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 758, 759,
&end
#
# 0 AMB 15-2:365 51 ILE HN 3.50 (# 365:15 Single Ambig)
&rst
ixpk= 365, nxpk= 15, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 735, 736, 737, 754, 755, 756,
&end
#
# 51 ILE QD1 51 ILE HN 5.50 (# 366:15 Unique 4.07, 4.37 A)
&rst
ixpk= 366, nxpk= 15, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 761, 762, 763,
&end
#
# 50 ILE HA 51 ILE HN 5.50 (# 367:15 Unique 3.48, 3.49 A)
&rst
ixpk= 367, nxpk= 15, iat= 731, 748, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 TYR HD 16 VAL HN 5.50 (# 370:15 Unique 3.52, 5.83 A)
&rst
ixpk= 370, nxpk= 15, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 680, 689,
&end
#
# 16 VAL MGX 16 VAL HN 4.50 (# 371:15 Unique 2.15, 3.68 A)
&rst
ixpk= 371, nxpk= 15, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 13 ASP HA 16 VAL HN 4.50 (# 372:15 Unique 3.10, 3.35 A)
&rst
ixpk= 372, nxpk= 15, iat= 176, 211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 ALA HA 16 VAL HN 5.50 (# 373:15 Unique 3.48, 3.53 A)
&rst
ixpk= 373, nxpk= 15, iat= 203, 211, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 VAL HA 16 VAL HN 3.50 (# 374:15 Unique 2.76, 2.80 A)
&rst
ixpk= 374, nxpk= 15, iat= 213, 211, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 VAL HB 16 VAL HN 2.80 (# 375:15 Unique 2.62, 2.66 A)
&rst
ixpk= 375, nxpk= 15, iat= 215, 211, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 15 ALA MB 16 VAL HN 3.50 (# 376:15 Unique 2.67, 3.47 A)
&rst
ixpk= 376, nxpk= 15, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 205, 206, 207,
&end
#
# 51 ILE HG1- 16 VAL HN 5.50 (# 377:15 Unique 5.71, 6.16 A)
&rst
ixpk= 377, nxpk= 15, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 758, 759,
&end
#
# 16 VAL MGY 16 VAL HN 2.80 (# 378:15 Unique 2.15, 3.68 A)
&rst
ixpk= 378, nxpk= 15, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 32 ASN HA 33 SER HN 5.50 (# 379:15 Unique 3.51, 3.52 A)
&rst
ixpk= 379, nxpk= 15, iat= 464, 476, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 ILE QG2 16 VAL HN 5.50 (# 380:15 Unique 4.21, 5.15 A)
&rst
ixpk= 380, nxpk= 15, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 149, 150, 151,
&end
#
# 33 SER HA 33 SER HN 3.50 (# 381:15 Unique 2.81, 2.82 A)
&rst
ixpk= 381, nxpk= 15, iat= 478, 476, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 SER HB- 33 SER HN 2.80 (# 382:15 Unique 2.07, 2.77 A)
&rst
ixpk= 382, nxpk= 15, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 480, 481,
&end
#
# 33 SER HB+ 33 SER HN 4.50 (# 383:15 Unique 2.07, 2.77 A)
&rst
ixpk= 383, nxpk= 15, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 480, 481,
&end
#
# 30 VAL HA 33 SER HN 5.50 (# 384:15 Unique 3.48, 3.57 A)
&rst
ixpk= 384, nxpk= 15, iat= 431, 476, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 ASN HB- 33 SER HN 4.50 (# 385:15 Unique 2.70, 3.36 A)
&rst
ixpk= 385, nxpk= 15, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 466, 467,
&end
#
# 0 AMB 15-2:386 33 SER HN 5.50 (# 386:15 Single Ambig)
&rst
ixpk= 386, nxpk= 15, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
440, 441,
&end
#
# 34 LEU HG 33 SER HN 7.00 (# 387:15 Unique 3.72, 3.75 A)
&rst
ixpk= 387, nxpk= 15, iat= 494, 476, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 19 VAL MGY 20 CYS HN 5.50 (# 388:15 Unique 2.29, 4.06 A)
&rst
ixpk= 388, nxpk= 15, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 20 CYS HA 20 CYS HN 4.50 (# 389:15 Unique 2.80, 2.83 A)
&rst
ixpk= 389, nxpk= 15, iat= 282, 280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:390 20 CYS HN 5.50 (# 390:15 Single Ambig)
&rst
ixpk= 390, nxpk= 15, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 251, 293,
&end
#
# 17 LYS HA 20 CYS HN 5.50 (# 391:15 Unique 3.32, 3.52 A)
&rst
ixpk= 391, nxpk= 15, iat= 229, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 VAL HA 20 CYS HN 5.50 (# 392:15 Unique 3.45, 3.46 A)
&rst
ixpk= 392, nxpk= 15, iat= 266, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 CYS HB+ 20 CYS HN 3.50 (# 393:15 Unique 2.09, 2.64 A)
&rst
ixpk= 393, nxpk= 15, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 284, 285,
&end
#
# 20 CYS HB- 20 CYS HN 4.50 (# 394:15 Unique 2.09, 2.64 A)
&rst
ixpk= 394, nxpk= 15, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 284, 285,
&end
#
# 19 VAL HB 20 CYS HN 4.50 (# 396:15 Unique 3.77, 3.89 A)
&rst
ixpk= 396, nxpk= 15, iat= 268, 280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 VAL MGX 20 CYS HN 4.50 (# 397:15 Unique 2.29, 4.06 A)
&rst
ixpk= 397, nxpk= 15, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 16 VAL MGX 20 CYS HN 5.50 (# 398:15 Unique 4.69, 6.52 A)
&rst
ixpk= 398, nxpk= 15, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 27 GLU HA 31 MET HN 5.50 (# 399:15 Unique 3.97, 4.36 A)
&rst
ixpk= 399, nxpk= 15, iat= 390, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 VAL HA 31 MET HN 5.50 (# 400:15 Unique 3.57, 3.57 A)
&rst
ixpk= 400, nxpk= 15, iat= 431, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 MET HG- 31 MET HN 3.50 (# 401:15 Unique 1.95, 2.57 A)
&rst
ixpk= 401, nxpk= 15, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 452, 453,
&end
#
# 0 AMB 15-2:402 31 MET HN 5.50 (# 402:15 Single Ambig)
&rst
ixpk= 402, nxpk= 15, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
222, 223,
&end
#
# 0 AMB 15-2:403 0 AMB 15-1:403 7.00 (# 403:15 Double Ambig)
&rst
ixpk= 403, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1= 133, 134, 135, 137, 138, 139, 217, 218, 219, 221,
222, 223,
igr2= 59, 445,
&end
#
# 30 VAL MGX 31 MET HN 4.50 (# 404:15 Unique 2.95, 4.13 A)
&rst
ixpk= 404, nxpk= 15, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 0 AMB 15-2:406 20 CYS HN 5.50 (# 406:15 Single Ambig)
&rst
ixpk= 406, nxpk= 15, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 213, 390,
&end
#
# 28 SER HA 31 MET HN 5.50 (# 407:15 Unique 3.65, 3.73 A)
&rst
ixpk= 407, nxpk= 15, iat= 405, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 MET HA 31 MET HN 3.50 (# 408:15 Unique 2.76, 2.78 A)
&rst
ixpk= 408, nxpk= 15, iat= 447, 445, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 MET HG+ 31 MET HN 4.50 (# 409:15 Unique 1.95, 2.57 A)
&rst
ixpk= 409, nxpk= 15, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 452, 453,
&end
#
# 0 AMB 15-2:410 31 MET HN 2.80 (# 410:15 Single Ambig)
&rst
ixpk= 410, nxpk= 15, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 433, 449, 450,
&end
#
# 0 AMB 15-2:411 0 AMB 15-1:411 3.50 (# 411:15 Double Ambig)
&rst
ixpk= 411, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 46, 47, 449, 450,
igr2= 59, 445,
&end
#
# 0 AMB 15-2:412 31 MET HN 5.50 (# 412:15 Single Ambig)
&rst
ixpk= 412, nxpk= 15, iat= -1, 445, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 421, 422, 421, 422,
&end
#
# 49 LEU HA 53 ASN HN 5.50 (# 414:15 Unique 3.79, 4.03 A)
&rst
ixpk= 414, nxpk= 15, iat= 712, 779, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 ASN HA 53 ASN HN 3.50 (# 415:15 Unique 2.77, 2.79 A)
&rst
ixpk= 415, nxpk= 15, iat= 781, 779, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 ASP HA 53 ASN HN 5.50 (# 416:15 Unique 3.49, 3.50 A)
&rst
ixpk= 416, nxpk= 15, iat= 769, 779, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 ILE HA 53 ASN HN 5.50 (# 417:15 Unique 3.53, 3.58 A)
&rst
ixpk= 417, nxpk= 15, iat= 731, 779, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 ASN HB- 53 ASN HN 2.80 (# 418:15 Unique 2.19, 2.69 A)
&rst
ixpk= 418, nxpk= 15, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 783, 784,
&end
#
# 52 ASP HB+ 53 ASN HN 2.80 (# 419:15 Unique 2.69, 3.27 A)
&rst
ixpk= 419, nxpk= 15, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 771, 772,
&end
#
# 52 ASP HB- 53 ASN HN 4.50 (# 420:15 Unique 2.69, 3.27 A)
&rst
ixpk= 420, nxpk= 15, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 771, 772,
&end
#
# 54 ARG HD- 53 ASN HN 7.00 (# 421:15 Unique 3.69, 4.69 A)
&rst
ixpk= 421, nxpk= 15, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 803, 804,
&end
#
# 55 ARG HA 56 ILE HN 7.00 (# 426:15 Unique 3.46, 3.49 A)
&rst
ixpk= 426, nxpk= 15, iat= 819, 841, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 15-2:427 0 AMB 15-1:427 4.50 (# 427:15 Double Ambig)
&rst
ixpk= 427, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 843, 416,
igr2= 841, 462,
&end
#
# 34 LEU HG 35 TYR HN 5.50 (# 429:15 Unique 3.99, 4.03 A)
&rst
ixpk= 429, nxpk= 15, iat= 494, 506, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 TYR HA 48 HIS HN 5.50 (# 430:15 Unique 3.56, 3.56 A)
&rst
ixpk= 430, nxpk= 15, iat= 674, 693, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 ASN HA 32 ASN HN 3.50 (# 431:15 Unique 2.80, 2.81 A)
&rst
ixpk= 431, nxpk= 15, iat= 464, 462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ASN HB- 32 ASN HN 3.50 (# 432:15 Unique 2.32, 2.54 A)
&rst
ixpk= 432, nxpk= 15, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 466, 467,
&end
#
# 35 TYR HA 35 TYR HN 4.50 (# 434:15 Unique 2.94, 2.94 A)
&rst
ixpk= 434, nxpk= 15, iat= 508, 506, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 ASN HA 35 TYR HN 5.50 (# 435:15 Unique 3.42, 3.45 A)
&rst
ixpk= 435, nxpk= 15, iat= 464, 506, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 LEU HA 35 TYR HN 4.50 (# 436:15 Unique 3.50, 3.51 A)
&rst
ixpk= 436, nxpk= 15, iat= 489, 506, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 TYR HB+ 35 TYR HN 4.50 (# 437:15 Unique 2.52, 2.76 A)
&rst
ixpk= 437, nxpk= 15, iat= -1, 506, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 510, 511,
&end
#
# 35 TYR HB- 35 TYR HN 2.80 (# 438:15 Unique 2.52, 2.76 A)
&rst
ixpk= 438, nxpk= 15, iat= -1, 506, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 510, 511,
&end
#
# 34 LEU HB+ 35 TYR HN 4.50 (# 439:15 Unique 2.68, 3.33 A)
&rst
ixpk= 439, nxpk= 15, iat= -1, 506, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 491, 492,
&end
#
# 34 LEU HB- 35 TYR HN 4.50 (# 440:15 Unique 2.68, 3.33 A)
&rst
ixpk= 440, nxpk= 15, iat= -1, 506, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 491, 492,
&end
#
# 47 TYR HD 48 HIS HN 4.50 (# 441:15 Unique 2.98, 4.18 A)
&rst
ixpk= 441, nxpk= 15, iat= -1, 693, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 680, 689,
&end
#
# 48 HIS HA 48 HIS HN 3.50 (# 442:15 Unique 2.92, 2.92 A)
&rst
ixpk= 442, nxpk= 15, iat= 695, 693, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 VAL HA 48 HIS HN 5.50 (# 443:15 Unique 3.67, 3.69 A)
&rst
ixpk= 443, nxpk= 15, iat= 648, 693, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:444 48 HIS HN 2.80 (# 444:15 Single Ambig)
&rst
ixpk= 444, nxpk= 15, iat= -1, 693, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 697, 698, 697, 698,
&end
#
# 47 TYR HB+ 48 HIS HN 3.50 (# 445:15 Unique 2.45, 3.16 A)
&rst
ixpk= 445, nxpk= 15, iat= -1, 693, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 676, 677,
&end
#
# 34 LEU MDY 0 AMB 15-1:446 7.00 (# 446:15 Single Ambig)
&rst
ixpk= 446, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 462, 693,
&end
#
# 9 ASN HA 9 ASN HN 4.50 (# 450:15 Unique 2.76, 2.80 A)
&rst
ixpk= 450, nxpk= 15, iat= 115, 113, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 ALA HA 9 ASN HN 4.50 (# 451:15 Unique 3.40, 3.48 A)
&rst
ixpk= 451, nxpk= 15, iat= 105, 113, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 ASN HB- 9 ASN HN 4.50 (# 452:15 Unique 2.23, 2.67 A)
&rst
ixpk= 452, nxpk= 15, iat= -1, 113, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 117, 118,
&end
#
# 8 ALA MB 9 ASN HN 5.50 (# 453:15 Unique 2.84, 3.63 A)
&rst
ixpk= 453, nxpk= 15, iat= -1, 113, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 107, 108, 109,
&end
#
# 60 ALA HA 61 SER HN 5.50 (# 456:15 Unique 2.14, 2.49 A)
&rst
ixpk= 456, nxpk= 15, iat= 910, 918, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 ASP HA 40 GLN HN 5.50 (# 458:15 Unique 3.96, 3.96 A)
&rst
ixpk= 458, nxpk= 15, iat= 547, 571, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 GLN HA 40 GLN HN 3.50 (# 459:15 Unique 2.90, 2.93 A)
&rst
ixpk= 459, nxpk= 15, iat= 573, 571, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 SER HB- 40 GLN HN 5.50 (# 460:15 Unique 7.06, 8.14 A)
&rst
ixpk= 460, nxpk= 15, iat= -1, 571, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 480, 481,
&end
#
# 0 AMB 15-2:462 40 GLN HN 3.50 (# 462:15 Single Ambig)
&rst
ixpk= 462, nxpk= 15, iat= -1, 571, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 578, 579, 575, 576,
&end
#
# 0 AMB 15-2:463 40 GLN HN 2.80 (# 463:15 Single Ambig)
&rst
ixpk= 463, nxpk= 15, iat= -1, 571, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 575, 576, 561, 562,
&end
#
# 35 TYR HA 36 SER HN 4.50 (# 465:15 Unique 3.21, 3.21 A)
&rst
ixpk= 465, nxpk= 15, iat= 508, 527, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 SER HB+ 36 SER HN 3.50 (# 467:15 Unique 2.53, 2.68 A)
&rst
ixpk= 467, nxpk= 15, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 531, 532,
&end
#
# 36 SER HA 36 SER HN 4.50 (# 468:15 Unique 2.93, 2.93 A)
&rst
ixpk= 468, nxpk= 15, iat= 529, 527, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 LEU HA 36 SER HN 5.50 (# 469:15 Unique 4.06, 4.08 A)
&rst
ixpk= 469, nxpk= 15, iat= 489, 527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 TYR HB+ 36 SER HN 5.50 (# 470:15 Unique 3.64, 3.95 A)
&rst
ixpk= 470, nxpk= 15, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 510, 511,
&end
#
# 35 TYR HB- 36 SER HN 5.50 (# 471:15 Unique 3.64, 3.95 A)
&rst
ixpk= 471, nxpk= 15, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 510, 511,
&end
#
# 25 CYS HA 25 CYS HN 4.50 (# 473:15 Unique 2.94, 2.94 A)
&rst
ixpk= 473, nxpk= 15, iat= 365, 363, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 CYS HA 25 CYS HN 4.50 (# 474:15 Unique 2.50, 2.95 A)
&rst
ixpk= 474, nxpk= 15, iat= 282, 363, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 GLU HA 25 CYS HN 2.80 (# 475:15 Unique 2.73, 2.90 A)
&rst
ixpk= 475, nxpk= 15, iat= 350, 363, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 CYS HB+ 25 CYS HN 5.50 (# 476:15 Unique 2.28, 3.09 A)
&rst
ixpk= 476, nxpk= 15, iat= -1, 363, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 367, 368,
&end
#
# 23 PHE HB+ 25 CYS HN 7.00 (# 477:15 Unique 2.70, 3.57 A)
&rst
ixpk= 477, nxpk= 15, iat= -1, 363, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 332, 333,
&end
#
# 25 CYS HB- 25 CYS HN 4.50 (# 478:15 Unique 2.28, 3.09 A)
&rst
ixpk= 478, nxpk= 15, iat= -1, 363, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 367, 368,
&end
#
# 0 AMB 15-2:479 25 CYS HN 5.50 (# 479:15 Single Ambig)
&rst
ixpk= 479, nxpk= 15, iat= -1, 363, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 352, 353, 352, 353, 355, 356,
&end
#
# 32 ASN HA 36 SER HN 5.50 (# 480:15 Unique 4.53, 4.55 A)
&rst
ixpk= 480, nxpk= 15, iat= 464, 527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ALA HA 23 PHE HN 7.00 (# 481:15 Unique 7.16, 7.68 A)
&rst
ixpk= 481, nxpk= 15, iat= 664, 328, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 19 VAL HA 23 PHE HN 5.50 (# 482:15 Unique 3.16, 3.46 A)
&rst
ixpk= 482, nxpk= 15, iat= 266, 328, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 PHE HA 23 PHE HN 4.50 (# 483:15 Unique 2.85, 2.90 A)
&rst
ixpk= 483, nxpk= 15, iat= 330, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LYS HA 23 PHE HN 5.50 (# 484:15 Unique 3.51, 3.56 A)
&rst
ixpk= 484, nxpk= 15, iat= 308, 328, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 PHE HB+ 23 PHE HN 4.50 (# 485:15 Unique 2.18, 2.72 A)
&rst
ixpk= 485, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 332, 333,
&end
#
# 23 PHE HB- 23 PHE HN 3.50 (# 486:15 Unique 2.18, 2.72 A)
&rst
ixpk= 486, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 332, 333,
&end
#
# 22 LYS HB+ 23 PHE HN 4.50 (# 487:15 Unique 1.95, 2.76 A)
&rst
ixpk= 487, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 310, 311,
&end
#
# 22 LYS HB- 23 PHE HN 4.50 (# 488:15 Unique 1.95, 2.76 A)
&rst
ixpk= 488, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 310, 311,
&end
#
# 0 AMB 15-2:489 23 PHE HN 5.50 (# 489:15 Single Ambig)
&rst
ixpk= 489, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 270, 271, 272, 274, 275, 276, 435, 436, 437, 439,
440, 441, 621, 622,
&end
#
# 9 ASN HB- 9 ASN HD2+ 4.50 (# 492:15 Unique 2.11, 3.23 A)
&rst
ixpk= 492, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 117, 118,
igr2= 122, 123,
&end
#
# 9 ASN HB- 9 ASN HD2- 5.50 (# 494:15 Unique 2.11, 3.23 A)
&rst
ixpk= 494, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 117, 118,
igr2= 122, 123,
&end
#
# 26 THR HA 28 SER HN 4.50 (# 499:15 Unique 3.94, 4.11 A)
&rst
ixpk= 499, nxpk= 15, iat= 376, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 THR HB 28 SER HN 4.50 (# 500:15 Unique 2.55, 2.78 A)
&rst
ixpk= 500, nxpk= 15, iat= 378, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 SER HA 28 SER HN 4.50 (# 501:15 Unique 2.82, 2.84 A)
&rst
ixpk= 501, nxpk= 15, iat= 405, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:502 28 SER HN 2.80 (# 502:15 Single Ambig)
&rst
ixpk= 502, nxpk= 15, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 407, 408, 407, 408,
&end
#
# 27 GLU HA 28 SER HN 5.50 (# 503:15 Unique 3.47, 3.50 A)
&rst
ixpk= 503, nxpk= 15, iat= 390, 403, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:504 28 SER HN 5.50 (# 504:15 Single Ambig)
&rst
ixpk= 504, nxpk= 15, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 395, 396, 421, 422, 421, 422,
&end
#
# 27 GLU HB+ 28 SER HN 3.50 (# 505:15 Unique 2.67, 3.32 A)
&rst
ixpk= 505, nxpk= 15, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 392, 393,
&end
#
# 26 THR MG2 28 SER HN 5.50 (# 506:15 Unique 4.83, 5.19 A)
&rst
ixpk= 506, nxpk= 15, iat= -1, 403, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 380, 381, 382,
&end
#
# 52 ASP HB+ 53 ASN HD2+ 5.50 (# 508:15 Unique 5.63, 7.47 A)
&rst
ixpk= 508, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 771, 772,
igr2= 788, 789,
&end
#
# 40 GLN HB+ 40 GLN HE2- 5.50 (# 523:15 Unique 2.48, 4.20 A)
&rst
ixpk= 523, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 575, 576,
igr2= 583, 584,
&end
#
# 0 AMB 15-2:525 0 AMB 15-1:525 4.50 (# 525:15 Double Ambig)
&rst
ixpk= 525, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 578, 579, 575, 576,
igr2= 583, 584, 583, 584,
&end
#
# 39 PRO HB+ 40 GLN HE2+ 5.50 (# 526:15 Unique 2.95, 7.58 A)
&rst
ixpk= 526, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 564, 565,
igr2= 583, 584,
&end
#
# 39 PRO HB+ 40 GLN HE2- 5.50 (# 527:15 Unique 2.95, 7.58 A)
&rst
ixpk= 527, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 564, 565,
igr2= 583, 584,
&end
#
# 36 SER HB- 37 GLY HN 5.50 (# 530:15 Unique 2.05, 2.81 A)
&rst
ixpk= 530, nxpk= 15, iat= -1, 538, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 531, 532,
&end
#
# 36 SER HA 37 GLY HN 3.50 (# 531:15 Unique 3.57, 3.57 A)
&rst
ixpk= 531, nxpk= 15, iat= 529, 538, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 LEU HA 37 GLY HN 7.00 (# 532:15 Unique 4.83, 4.87 A)
&rst
ixpk= 532, nxpk= 15, iat= 489, 538, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 33 SER HB+ 37 GLY HN 4.50 (# 533:15 Unique 4.06, 4.86 A)
&rst
ixpk= 533, nxpk= 15, iat= -1, 538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 480, 481,
&end
#
# 29 GLU HB- 26 THR HN 5.50 (# 534:15 Unique 2.31, 3.26 A)
&rst
ixpk= 534, nxpk= 15, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 418, 419,
&end
#
# 25 CYS HA 26 THR HN 3.50 (# 535:15 Unique 2.51, 2.60 A)
&rst
ixpk= 535, nxpk= 15, iat= 365, 374, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 THR HA 26 THR HN 4.50 (# 536:15 Unique 2.90, 2.91 A)
&rst
ixpk= 536, nxpk= 15, iat= 376, 374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 THR HB 26 THR HN 5.50 (# 537:15 Unique 3.60, 3.67 A)
&rst
ixpk= 537, nxpk= 15, iat= 378, 374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 CYS HB+ 26 THR HN 2.80 (# 538:15 Unique 1.95, 2.86 A)
&rst
ixpk= 538, nxpk= 15, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 367, 368,
&end
#
# 25 CYS HB- 26 THR HN 4.50 (# 539:15 Unique 1.95, 2.86 A)
&rst
ixpk= 539, nxpk= 15, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 367, 368,
&end
#
# 0 AMB 15-2:540 26 THR HN 3.50 (# 540:15 Single Ambig)
&rst
ixpk= 540, nxpk= 15, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 421, 422, 421, 422, 418, 419,
&end
#
# 26 THR MG2 26 THR HN 3.50 (# 541:15 Unique 2.24, 3.25 A)
&rst
ixpk= 541, nxpk= 15, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 380, 381, 382,
&end
#
# 11 ILE HG1- 12 ASP HN 7.00 (# 545:15 Unique 4.32, 5.06 A)
&rst
ixpk= 545, nxpk= 15, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 153, 154,
&end
#
# 16 VAL MGY 13 ASP HN 7.00 (# 546:15 Unique 3.66, 5.96 A)
&rst
ixpk= 546, nxpk= 15, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 12 ASP HB+ 13 ASP HN 5.50 (# 547:15 Unique 4.22, 4.42 A)
&rst
ixpk= 547, nxpk= 15, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 166, 167,
&end
#
# 0 AMB 15-2:548 13 ASP HN 5.50 (# 548:15 Single Ambig)
&rst
ixpk= 548, nxpk= 15, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 188, 145,
&end
#
# 14 GLU HN 13 ASP HN 4.50 (# 549:15 Unique 2.76, 2.80 A)
&rst
ixpk= 549, nxpk= 15, iat= 186, 174, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:550 62 GLU HN 7.00 (# 550:15 Single Ambig)
&rst
ixpk= 550, nxpk= 15, iat= -1, 929, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 933, 934, 933, 934,
&end
#
# 16 VAL MGY 11 ILE HN 7.00 (# 552:15 Unique 6.29, 7.88 A)
&rst
ixpk= 552, nxpk= 15, iat= -1, 143, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 10 VAL HN 11 ILE HN 5.50 (# 554:15 Unique 4.58, 4.62 A)
&rst
ixpk= 554, nxpk= 15, iat= 127, 143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 VAL MGY 42 GLN HN 5.50 (# 555:15 Unique 4.43, 6.56 A)
&rst
ixpk= 555, nxpk= 15, iat= -1, 600, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 41 ASP HN 42 GLN HN 5.50 (# 557:15 Unique 4.63, 4.63 A)
&rst
ixpk= 557, nxpk= 15, iat= 588, 600, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 ALA HN 42 GLN HN 7.00 (# 558:15 Unique 4.09, 4.20 A)
&rst
ixpk= 558, nxpk= 15, iat= 636, 600, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 43 LEU HN 42 GLN HN 4.50 (# 559:15 Unique 2.77, 2.79 A)
&rst
ixpk= 559, nxpk= 15, iat= 617, 600, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:562 15 ALA HN 2.80 (# 562:15 Single Ambig)
&rst
ixpk= 562, nxpk= 15, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 211, 186,
&end
#
# 13 ASP HA 15 ALA HN 5.50 (# 563:15 Unique 3.95, 4.36 A)
&rst
ixpk= 563, nxpk= 15, iat= 176, 201, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:564 15 ALA HN 7.00 (# 564:15 Single Ambig)
&rst
ixpk= 564, nxpk= 15, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 178, 179, 178, 179,
&end
#
# 0 AMB 15-2:565 15 ALA HN 7.00 (# 565:15 Single Ambig)
&rst
ixpk= 565, nxpk= 15, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 758, 759, 217, 218, 219, 221, 222, 223,
&end
#
# 51 ILE QD1 15 ALA HN 7.00 (# 566:15 Unique 3.80, 4.69 A)
&rst
ixpk= 566, nxpk= 15, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 761, 762, 763,
&end
#
# 14 GLU HG- 15 ALA HN 5.50 (# 567:15 Unique 4.17, 4.53 A)
&rst
ixpk= 567, nxpk= 15, iat= -1, 201, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 193, 194,
&end
#
# 17 LYS HN 15 ALA HN 5.50 (# 568:15 Unique 3.83, 3.96 A)
&rst
ixpk= 568, nxpk= 15, iat= 227, 201, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 GLN HN 41 ASP HN 3.50 (# 572:15 Unique 2.39, 2.49 A)
&rst
ixpk= 572, nxpk= 15, iat= 571, 588, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 VAL HN 41 ASP HN 7.00 (# 573:15 Unique 4.29, 4.43 A)
&rst
ixpk= 573, nxpk= 15, iat= 646, 588, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 42 GLN HN 41 ASP HN 5.50 (# 574:15 Unique 4.63, 4.63 A)
&rst
ixpk= 574, nxpk= 15, iat= 600, 588, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 ASP HA 41 ASP HN 7.00 (# 575:15 Unique 4.95, 5.07 A)
&rst
ixpk= 575, nxpk= 15, iat= 547, 588, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 15-2:576 27 GLU HN 5.50 (# 576:15 Single Ambig)
&rst
ixpk= 576, nxpk= 15, iat= -1, 388, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
440, 441,
&end
#
# 0 AMB 15-2:578 27 GLU HN 5.50 (# 578:15 Single Ambig)
&rst
ixpk= 578, nxpk= 15, iat= -1, 388, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 414, 429,
&end
#
# 28 SER HN 27 GLU HN 4.50 (# 579:15 Unique 2.65, 2.73 A)
&rst
ixpk= 579, nxpk= 15, iat= 403, 388, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 ILE HG1- 57 MET HN 7.00 (# 580:15 Unique 4.22, 4.71 A)
&rst
ixpk= 580, nxpk= 15, iat= -1, 860, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 851, 852,
&end
#
# 55 ARG HN 57 MET HN 5.50 (# 582:15 Unique 3.63, 3.80 A)
&rst
ixpk= 582, nxpk= 15, iat= 817, 860, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 VAL HN 7 ASP HN 5.50 (# 587:15 Unique 4.68, 5.73 A)
&rst
ixpk= 587, nxpk= 15, iat= 127, 91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:588 52 ASP HN 7.00 (# 588:15 Single Ambig)
&rst
ixpk= 588, nxpk= 15, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 803, 804, 739, 740,
&end
#
# 0 AMB 15-2:589 52 ASP HN 7.00 (# 589:15 Single Ambig)
&rst
ixpk= 589, nxpk= 15, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 697, 698, 697, 698,
&end
#
# 51 ILE HN 52 ASP HN 4.50 (# 590:15 Unique 2.38, 2.39 A)
&rst
ixpk= 590, nxpk= 15, iat= 748, 767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 ASN HN 52 ASP HN 4.50 (# 591:15 Unique 2.34, 2.41 A)
&rst
ixpk= 591, nxpk= 15, iat= 779, 767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:594 29 GLU HN 7.00 (# 594:15 Single Ambig)
&rst
ixpk= 594, nxpk= 15, iat= -1, 414, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 435, 436, 437, 439, 440, 441, 626, 627, 628, 630,
631, 632,
&end
#
# 20 CYS HA 29 GLU HN 7.00 (# 595:15 Unique 6.66, 6.97 A)
&rst
ixpk= 595, nxpk= 15, iat= 282, 414, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 26 THR HA 29 GLU HN 7.00 (# 596:15 Unique 4.40, 4.54 A)
&rst
ixpk= 596, nxpk= 15, iat= 376, 414, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 28 SER HN 29 GLU HN 4.50 (# 597:15 Unique 2.43, 2.58 A)
&rst
ixpk= 597, nxpk= 15, iat= 403, 414, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 THR HN 29 GLU HN 5.50 (# 598:15 Unique 3.68, 3.78 A)
&rst
ixpk= 598, nxpk= 15, iat= 374, 414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 LEU HN 44 ALA HN 3.50 (# 599:15 Unique 2.27, 2.31 A)
&rst
ixpk= 599, nxpk= 15, iat= 617, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 VAL HN 44 ALA HN 3.50 (# 600:15 Unique 2.58, 2.61 A)
&rst
ixpk= 600, nxpk= 15, iat= 646, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 LYS HA 19 VAL HN 7.00 (# 602:15 Unique 4.05, 4.46 A)
&rst
ixpk= 602, nxpk= 15, iat= 229, 264, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 18 GLU HN 19 VAL HN 3.50 (# 603:15 Unique 2.46, 2.55 A)
&rst
ixpk= 603, nxpk= 15, iat= 249, 264, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 ILE HN 49 LEU HN 4.50 (# 604:15 Unique 2.64, 2.66 A)
&rst
ixpk= 604, nxpk= 15, iat= 729, 710, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 VAL MGY 46 ALA HN 5.50 (# 605:15 Unique 4.61, 6.47 A)
&rst
ixpk= 605, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 44 ALA MB 46 ALA HN 7.00 (# 606:15 Unique 5.54, 6.05 A)
&rst
ixpk= 606, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 640, 641, 642,
&end
#
# 47 TYR HN 46 ALA HN 4.50 (# 608:15 Unique 2.79, 2.80 A)
&rst
ixpk= 608, nxpk= 15, iat= 672, 662, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 VAL HN 46 ALA HN 4.50 (# 609:15 Unique 2.38, 2.39 A)
&rst
ixpk= 609, nxpk= 15, iat= 646, 662, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 LEU HN 46 ALA HN 5.50 (# 610:15 Unique 4.64, 4.72 A)
&rst
ixpk= 610, nxpk= 15, iat= 617, 662, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 VAL MGX 46 ALA HN 7.00 (# 611:15 Unique 3.38, 4.35 A)
&rst
ixpk= 611, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 15 ALA HN 14 GLU HN 3.50 (# 612:15 Unique 2.67, 2.73 A)
&rst
ixpk= 612, nxpk= 15, iat= 201, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 ASP HN 14 GLU HN 4.50 (# 613:15 Unique 2.76, 2.80 A)
&rst
ixpk= 613, nxpk= 15, iat= 174, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 ASN HN 54 ARG HN 4.50 (# 614:15 Unique 2.53, 2.67 A)
&rst
ixpk= 614, nxpk= 15, iat= 779, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 ALA HN 43 LEU HN 3.50 (# 615:15 Unique 2.27, 2.31 A)
&rst
ixpk= 615, nxpk= 15, iat= 636, 617, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 GLN HN 43 LEU HN 5.50 (# 616:15 Unique 2.77, 2.79 A)
&rst
ixpk= 616, nxpk= 15, iat= 600, 617, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ALA HN 47 TYR HN 4.50 (# 617:15 Unique 2.79, 2.80 A)
&rst
ixpk= 617, nxpk= 15, iat= 662, 672, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:618 30 VAL HN 3.50 (# 618:15 Single Ambig)
&rst
ixpk= 618, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 445, 462,
&end
#
# 49 LEU HN 50 ILE HN 4.50 (# 619:15 Unique 2.64, 2.66 A)
&rst
ixpk= 619, nxpk= 15, iat= 710, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 ALA HN 45 VAL HN 4.50 (# 620:15 Unique 2.58, 2.61 A)
&rst
ixpk= 620, nxpk= 15, iat= 636, 646, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ALA HN 45 VAL HN 4.50 (# 621:15 Unique 2.38, 2.39 A)
&rst
ixpk= 621, nxpk= 15, iat= 662, 646, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:623 45 VAL HN 7.00 (# 623:15 Single Ambig)
&rst
ixpk= 623, nxpk= 15, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 592, 593, 592, 593,
&end
#
# 23 PHE HE 45 VAL HN 7.00 (# 624:15 Unique 5.91, 8.16 A)
&rst
ixpk= 624, nxpk= 15, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 338, 342,
&end
#
# 52 ASP HN 51 ILE HN 4.50 (# 625:15 Unique 2.38, 2.39 A)
&rst
ixpk= 625, nxpk= 15, iat= 767, 748, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 ALA HN 16 VAL HN 3.50 (# 627:15 Unique 2.31, 2.48 A)
&rst
ixpk= 627, nxpk= 15, iat= 201, 211, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 LYS HN 16 VAL HN 4.50 (# 628:15 Unique 2.53, 2.66 A)
&rst
ixpk= 628, nxpk= 15, iat= 227, 211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 VAL HN 31 MET HN 4.50 (# 629:15 Unique 2.54, 2.77 A)
&rst
ixpk= 629, nxpk= 15, iat= 429, 445, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 SER HN 31 MET HN 5.50 (# 630:15 Unique 4.17, 4.24 A)
&rst
ixpk= 630, nxpk= 15, iat= 476, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 GLU HN 20 CYS HN 4.50 (# 631:15 Unique 2.41, 2.59 A)
&rst
ixpk= 631, nxpk= 15, iat= 291, 280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 LEU HN 33 SER HN 3.50 (# 632:15 Unique 2.59, 2.61 A)
&rst
ixpk= 632, nxpk= 15, iat= 487, 476, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ASN HN 33 SER HN 4.50 (# 633:15 Unique 2.59, 2.65 A)
&rst
ixpk= 633, nxpk= 15, iat= 462, 476, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 ASP HN 53 ASN HN 4.50 (# 634:15 Unique 2.34, 2.41 A)
&rst
ixpk= 634, nxpk= 15, iat= 767, 779, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 ARG HN 53 ASN HN 4.50 (# 635:15 Unique 2.53, 2.67 A)
&rst
ixpk= 635, nxpk= 15, iat= 793, 779, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 SER HN 35 TYR HN 4.50 (# 637:15 Unique 2.16, 2.18 A)
&rst
ixpk= 637, nxpk= 15, iat= 527, 506, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 LEU HN 35 TYR HN 3.50 (# 638:15 Unique 2.47, 2.48 A)
&rst
ixpk= 638, nxpk= 15, iat= 487, 506, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 VAL HN 9 ASN HN 5.50 (# 639:15 Unique 2.05, 2.73 A)
&rst
ixpk= 639, nxpk= 15, iat= 127, 113, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 TYR HN 48 HIS HN 4.50 (# 641:15 Unique 2.90, 2.91 A)
&rst
ixpk= 641, nxpk= 15, iat= 672, 693, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 GLU HB- 16 VAL HN 7.00 (# 642:15 Unique 6.37, 7.35 A)
&rst
ixpk= 642, nxpk= 15, iat= -1, 211, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 392, 393,
&end
#
# 0 AMB 15-2:643 33 SER HN 5.50 (# 643:15 Single Ambig)
&rst
ixpk= 643, nxpk= 15, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 435, 436, 437, 439, 440, 441, 621, 622,
&end
#
# 31 MET HB+ 33 SER HN 7.00 (# 644:15 Unique 5.51, 5.67 A)
&rst
ixpk= 644, nxpk= 15, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 449, 450,
&end
#
# 19 VAL HA 21 GLU HN 7.00 (# 646:15 Unique 3.87, 4.18 A)
&rst
ixpk= 646, nxpk= 15, iat= 266, 291, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 19 VAL HN 21 GLU HN 5.50 (# 647:15 Unique 4.00, 4.28 A)
&rst
ixpk= 647, nxpk= 15, iat= 264, 291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 CYS HN 21 GLU HN 4.50 (# 648:15 Unique 2.41, 2.59 A)
&rst
ixpk= 648, nxpk= 15, iat= 280, 291, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 TYR HA 51 ILE HN 7.00 (# 649:15 Unique 5.45, 5.47 A)
&rst
ixpk= 649, nxpk= 15, iat= 674, 748, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 53 ASN HN 51 ILE HN 7.00 (# 650:15 Unique 3.86, 3.90 A)
&rst
ixpk= 650, nxpk= 15, iat= 779, 748, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 18 GLU HB+ 20 CYS HN 5.50 (# 651:15 Unique 4.68, 5.08 A)
&rst
ixpk= 651, nxpk= 15, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 253, 254,
&end
#
# 22 LYS HN 20 CYS HN 5.50 (# 652:15 Unique 3.68, 3.78 A)
&rst
ixpk= 652, nxpk= 15, iat= 306, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 ASP HA 9 ASN HN 7.00 (# 653:15 Unique 3.39, 3.79 A)
&rst
ixpk= 653, nxpk= 15, iat= 93, 113, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 38 ASP HB+ 40 GLN HN 7.00 (# 654:15 Unique 2.10, 2.87 A)
&rst
ixpk= 654, nxpk= 15, iat= -1, 571, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 549, 550,
&end
#
# 38 ASP HB- 40 GLN HN 5.50 (# 655:15 Unique 2.10, 2.87 A)
&rst
ixpk= 655, nxpk= 15, iat= -1, 571, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 549, 550,
&end
#
# 41 ASP HN 40 GLN HN 3.50 (# 657:15 Unique 2.39, 2.49 A)
&rst
ixpk= 657, nxpk= 15, iat= 588, 571, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 TYR HN 36 SER HN 3.50 (# 658:15 Unique 2.16, 2.18 A)
&rst
ixpk= 658, nxpk= 15, iat= 506, 527, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 GLY HN 36 SER HN 4.50 (# 659:15 Unique 2.56, 2.57 A)
&rst
ixpk= 659, nxpk= 15, iat= 538, 527, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 LEU HN 36 SER HN 5.50 (# 660:15 Unique 3.56, 3.58 A)
&rst
ixpk= 660, nxpk= 15, iat= 487, 527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 PHE HB- 25 CYS HN 7.00 (# 662:15 Unique 2.70, 3.57 A)
&rst
ixpk= 662, nxpk= 15, iat= -1, 363, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 332, 333,
&end
#
# 20 CYS HB- 25 CYS HN 7.00 (# 663:15 Unique 4.42, 5.37 A)
&rst
ixpk= 663, nxpk= 15, iat= -1, 363, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 284, 285,
&end
#
# 24 GLU HN 25 CYS HN 4.50 (# 664:15 Unique 2.61, 2.67 A)
&rst
ixpk= 664, nxpk= 15, iat= 348, 363, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:665 25 CYS HN 5.50 (# 665:15 Single Ambig)
&rst
ixpk= 665, nxpk= 15, iat= -1, 363, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 374, 280,
&end
#
# 43 LEU MDY 23 PHE HN 7.00 (# 666:15 Unique 4.18, 6.28 A)
&rst
ixpk= 666, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 626, 627, 628, 630, 631, 632,
&end
#
# 0 AMB 15-2:667 23 PHE HN 5.50 (# 667:15 Single Ambig)
&rst
ixpk= 667, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 298, 299, 295, 296, 295, 296, 355, 356,
&end
#
# 23 PHE HE 23 PHE HN 7.00 (# 668:15 Unique 5.01, 6.63 A)
&rst
ixpk= 668, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 338, 342,
&end
#
# 23 PHE HD 23 PHE HN 4.50 (# 669:15 Unique 2.63, 4.46 A)
&rst
ixpk= 669, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 336, 344,
&end
#
# 24 GLU HN 23 PHE HN 3.50 (# 670:15 Unique 2.04, 2.40 A)
&rst
ixpk= 670, nxpk= 15, iat= 348, 328, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 LYS HN 23 PHE HN 3.50 (# 671:15 Unique 2.38, 2.76 A)
&rst
ixpk= 671, nxpk= 15, iat= 306, 328, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 GLU HN 23 PHE HN 5.50 (# 672:15 Unique 3.92, 4.45 A)
&rst
ixpk= 672, nxpk= 15, iat= 291, 328, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 GLU HA 16 VAL HN 7.00 (# 676:15 Unique 4.25, 4.59 A)
&rst
ixpk= 676, nxpk= 15, iat= 188, 211, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 34 LEU MDY 33 SER HN 7.00 (# 677:15 Unique 4.45, 5.81 A)
&rst
ixpk= 677, nxpk= 15, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 15-2:678 36 SER HN 7.00 (# 678:15 Single Ambig)
&rst
ixpk= 678, nxpk= 15, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 494, 640, 641, 642,
&end
#
# 34 LEU HB+ 36 SER HN 7.00 (# 679:15 Unique 4.65, 5.06 A)
&rst
ixpk= 679, nxpk= 15, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 491, 492,
&end
#
# 29 GLU HN 28 SER HN 4.50 (# 682:15 Unique 2.43, 2.58 A)
&rst
ixpk= 682, nxpk= 15, iat= 414, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 GLU HN 28 SER HN 4.50 (# 683:15 Unique 2.65, 2.73 A)
&rst
ixpk= 683, nxpk= 15, iat= 388, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 SER HN 37 GLY HN 5.50 (# 684:15 Unique 2.56, 2.57 A)
&rst
ixpk= 684, nxpk= 15, iat= 527, 538, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:685 26 THR HN 5.50 (# 685:15 Single Ambig)
&rst
ixpk= 685, nxpk= 15, iat= -1, 374, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 414, 429,
&end
#
# 35 TYR HA 37 GLY HN 7.00 (# 688:15 Unique 5.18, 5.19 A)
&rst
ixpk= 688, nxpk= 15, iat= 508, 538, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 51 ILE HN 53 ASN HN 5.50 (# 690:15 Unique 3.86, 3.90 A)
&rst
ixpk= 690, nxpk= 15, iat= 748, 779, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 VAL MGY 9 ASN HN 7.00 (# 695:15 Unique 3.56, 5.71 A)
&rst
ixpk= 695, nxpk= 15, iat= -1, 113, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 133, 134, 135, 137, 138, 139,
&end
#
# 7 ASP HB- 9 ASN HN 7.00 (# 696:15 Unique 2.63, 4.69 A)
&rst
ixpk= 696, nxpk= 15, iat= -1, 113, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 95, 96,
&end
#
# 25 CYS HN 24 GLU HN 3.50 (# 697:15 Unique 2.61, 2.67 A)
&rst
ixpk= 697, nxpk= 15, iat= 363, 348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 PHE HN 24 GLU HN 3.50 (# 698:15 Unique 2.04, 2.40 A)
&rst
ixpk= 698, nxpk= 15, iat= 328, 348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ASP HN 11 ILE HN 5.50 (# 702:15 Unique 4.29, 4.44 A)
&rst
ixpk= 702, nxpk= 15, iat= 162, 143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 LEU MDX 12 ASP HN 7.00 (# 703:15 Unique 6.13, 7.65 A)
&rst
ixpk= 703, nxpk= 15, iat= -1, 162, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 13 ASP HN 12 ASP HN 5.50 (# 704:15 Unique 4.24, 4.27 A)
&rst
ixpk= 704, nxpk= 15, iat= 174, 162, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:705 13 ASP HN 5.50 (# 705:15 Single Ambig)
&rst
ixpk= 705, nxpk= 15, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 201, 162,
&end
#
# 0 AMB 15-2:706 13 ASP HN 7.00 (# 706:15 Single Ambig)
&rst
ixpk= 706, nxpk= 15, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
igr1= 205, 206, 207, 153, 154,
&end
#
# 19 VAL HN 17 LYS HN 5.50 (# 707:15 Unique 3.86, 4.09 A)
&rst
ixpk= 707, nxpk= 15, iat= 264, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 VAL HN 18 GLU HN 3.50 (# 708:15 Unique 2.46, 2.55 A)
&rst
ixpk= 708, nxpk= 15, iat= 264, 249, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 LYS HG+ 18 GLU HN 7.00 (# 709:15 Unique 4.39, 4.93 A)
&rst
ixpk= 709, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 234, 235,
&end
#
# 15 ALA HN 17 LYS HN 7.00 (# 710:15 Unique 3.83, 3.96 A)
&rst
ixpk= 710, nxpk= 15, iat= 201, 227, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 15-2:711 18 GLU HN 5.50 (# 711:15 Single Ambig)
&rst
ixpk= 711, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 280, 201,
&end
#
# 50 ILE QG2 18 GLU HN 7.00 (# 712:15 Unique 4.79, 5.44 A)
&rst
ixpk= 712, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 735, 736, 737,
&end
#
# 19 VAL MGX 18 GLU HN 7.00 (# 713:15 Unique 3.57, 5.04 A)
&rst
ixpk= 713, nxpk= 15, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 47 TYR HA 19 VAL HN 7.00 (# 714:15 Unique 4.56, 4.69 A)
&rst
ixpk= 714, nxpk= 15, iat= 674, 264, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 19 VAL MGY 21 GLU HN 7.00 (# 715:15 Unique 4.76, 6.11 A)
&rst
ixpk= 715, nxpk= 15, iat= -1, 291, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 34 LEU MDY 47 TYR HN 7.00 (# 716:15 Unique 5.07, 6.72 A)
&rst
ixpk= 716, nxpk= 15, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 22 LYS HB- 22 LYS HN 3.50 (# 717:15 Unique 2.13, 2.67 A)
&rst
ixpk= 717, nxpk= 15, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 22 LYS HG+ 23 PHE HN 7.00 (# 718:15 Unique 3.40, 4.34 A)
&rst
ixpk= 718, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 313, 314,
&end
#
# 10 VAL MGY 10 VAL HN 4.50 (# 719:15 Unique 2.01, 3.41 A)
&rst
ixpk= 719, nxpk= 15, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 133, 134, 135, 137, 138, 139,
&end
#
# 22 LYS HD- 24 GLU HN 7.00 (# 720:15 Unique 5.52, 6.75 A)
&rst
ixpk= 720, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 316, 317,
&end
#
# 24 GLU HA 24 GLU HN 2.80 (# 721:15 Unique 2.27, 2.28 A)
&rst
ixpk= 721, nxpk= 15, iat= 350, 348, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 CYS HN 26 THR HN 5.50 (# 723:15 Unique 4.39, 4.44 A)
&rst
ixpk= 723, nxpk= 15, iat= 363, 374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:724 26 THR HN 7.00 (# 724:15 Single Ambig)
&rst
ixpk= 724, nxpk= 15, iat= -1, 374, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 435, 436, 437, 439, 440, 441, 626, 627, 628, 630,
631, 632,
&end
#
# 27 GLU HG- 27 GLU HN 5.50 (# 725:15 Unique 1.97, 2.63 A)
&rst
ixpk= 725, nxpk= 15, iat= -1, 388, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 395, 396,
&end
#
# 30 VAL HA 29 GLU HN 7.00 (# 726:15 Unique 5.00, 5.24 A)
&rst
ixpk= 726, nxpk= 15, iat= 431, 414, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 15-2:727 30 VAL HN 7.00 (# 727:15 Single Ambig)
&rst
ixpk= 727, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
igr1= 407, 408, 407, 408, 447,
&end
#
# 31 MET HG- 30 VAL HN 7.00 (# 728:15 Unique 3.58, 4.30 A)
&rst
ixpk= 728, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 452, 453,
&end
#
# 0 AMB 15-2:729 56 ILE HN 7.00 (# 729:15 Single Ambig)
&rst
ixpk= 729, nxpk= 15, iat= -1, 841, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 824, 825, 824, 825,
&end
#
# 46 ALA HN 48 HIS HN 7.00 (# 730:15 Unique 4.70, 4.72 A)
&rst
ixpk= 730, nxpk= 15, iat= 662, 693, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 15-2:731 0 AMB 15-1:731 3.50 (# 731:15 Double Ambig)
&rst
ixpk= 731, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 466, 467, 676, 677,
igr2= 462, 693,
&end
#
# 32 ASN HB+ 33 SER HN 4.50 (# 732:15 Unique 2.70, 3.36 A)
&rst
ixpk= 732, nxpk= 15, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 466, 467,
&end
#
# 30 VAL HA 34 LEU HN 7.00 (# 733:15 Unique 5.08, 5.20 A)
&rst
ixpk= 733, nxpk= 15, iat= 431, 487, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 36 SER HN 34 LEU HN 5.50 (# 735:15 Unique 3.56, 3.58 A)
&rst
ixpk= 735, nxpk= 15, iat= 527, 487, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 LEU MDX 33 SER HN 7.00 (# 737:15 Unique 4.45, 5.81 A)
&rst
ixpk= 737, nxpk= 15, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 15-2:739 33 SER HN 5.50 (# 739:15 Single Ambig)
&rst
ixpk= 739, nxpk= 15, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 621, 622, 418, 419, 449, 450,
&end
#
# 36 SER HN 33 SER HN 5.50 (# 740:15 Unique 4.70, 4.73 A)
&rst
ixpk= 740, nxpk= 15, iat= 527, 476, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 LEU MDX 35 TYR HN 7.00 (# 743:15 Unique 4.88, 5.58 A)
&rst
ixpk= 743, nxpk= 15, iat= -1, 506, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 33 SER HA 35 TYR HN 7.00 (# 747:15 Unique 4.07, 4.13 A)
&rst
ixpk= 747, nxpk= 15, iat= 478, 506, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 35 TYR HN 37 GLY HN 5.50 (# 749:15 Unique 4.52, 4.56 A)
&rst
ixpk= 749, nxpk= 15, iat= 506, 538, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 SER HB- 36 SER HN 4.50 (# 750:15 Unique 2.53, 2.68 A)
&rst
ixpk= 750, nxpk= 15, iat= -1, 527, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 531, 532,
&end
#
# 34 LEU HN 37 GLY HN 5.50 (# 751:15 Unique 4.95, 4.97 A)
&rst
ixpk= 751, nxpk= 15, iat= 487, 538, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 SER HN 37 GLY HN 7.00 (# 752:15 Unique 5.47, 5.48 A)
&rst
ixpk= 752, nxpk= 15, iat= 476, 538, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 36 SER HN 38 ASP HN 7.00 (# 753:15 Unique 6.07, 6.12 A)
&rst
ixpk= 753, nxpk= 15, iat= 527, 545, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 40 GLN HN 38 ASP HN 5.50 (# 754:15 Unique 4.49, 4.52 A)
&rst
ixpk= 754, nxpk= 15, iat= 571, 545, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:756 38 ASP HN 7.00 (# 756:15 Single Ambig)
&rst
ixpk= 756, nxpk= 15, iat= -1, 545, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 590, 531, 532,
&end
#
# 33 SER HB- 38 ASP HN 7.00 (# 758:15 Unique 5.54, 6.66 A)
&rst
ixpk= 758, nxpk= 15, iat= -1, 545, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 480, 481,
&end
#
# 41 ASP HN 38 ASP HN 7.00 (# 760:15 Unique 4.24, 4.35 A)
&rst
ixpk= 760, nxpk= 15, iat= 588, 545, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 45 VAL MGY 40 GLN HN 7.00 (# 761:15 Unique 4.52, 6.65 A)
&rst
ixpk= 761, nxpk= 15, iat= -1, 571, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 39 PRO HA 40 GLN HN 5.50 (# 762:15 Unique 3.39, 3.39 A)
&rst
ixpk= 762, nxpk= 15, iat= 567, 571, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 GLN HG+ 40 GLN HN 5.50 (# 763:15 Unique 2.10, 3.01 A)
&rst
ixpk= 763, nxpk= 15, iat= -1, 571, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 578, 579,
&end
#
# 38 ASP HN 40 GLN HN 5.50 (# 764:15 Unique 4.49, 4.52 A)
&rst
ixpk= 764, nxpk= 15, iat= 545, 571, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 LEU MDY 44 ALA HN 7.00 (# 765:15 Unique 4.81, 5.68 A)
&rst
ixpk= 765, nxpk= 15, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 626, 627, 628, 630, 631, 632,
&end
#
# 34 LEU MDY 44 ALA HN 7.00 (# 766:15 Unique 4.04, 6.32 A)
&rst
ixpk= 766, nxpk= 15, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 15-2:767 45 VAL HN 7.00 (# 767:15 Single Ambig)
&rst
ixpk= 767, nxpk= 15, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 714, 715, 564, 565,
&end
#
# 19 VAL MGY 45 VAL HN 7.00 (# 768:15 Unique 6.15, 7.76 A)
&rst
ixpk= 768, nxpk= 15, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 43 LEU HG 45 VAL HN 7.00 (# 769:15 Unique 5.85, 5.90 A)
&rst
ixpk= 769, nxpk= 15, iat= 624, 646, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 15-2:770 46 ALA HN 5.50 (# 770:15 Single Ambig)
&rst
ixpk= 770, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 270, 271, 272, 274, 275, 276, 435, 436, 437, 439,
440, 441, 739, 740,
&end
#
# 43 LEU MDY 46 ALA HN 7.00 (# 771:15 Unique 5.05, 6.98 A)
&rst
ixpk= 771, nxpk= 15, iat= -1, 662, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 626, 627, 628, 630, 631, 632,
&end
#
# 44 ALA HN 46 ALA HN 5.50 (# 772:15 Unique 4.45, 4.48 A)
&rst
ixpk= 772, nxpk= 15, iat= 636, 662, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 LEU HN 45 VAL HN 5.50 (# 773:15 Unique 3.61, 3.67 A)
&rst
ixpk= 773, nxpk= 15, iat= 617, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 PHE HN 22 LYS HN 4.50 (# 774:15 Unique 2.38, 2.76 A)
&rst
ixpk= 774, nxpk= 15, iat= 328, 306, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 ILE HB 56 ILE HN 5.50 (# 775:15 Unique 2.51, 2.56 A)
&rst
ixpk= 775, nxpk= 15, iat= 845, 841, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:776 32 ASN HN 4.50 (# 776:15 Single Ambig)
&rst
ixpk= 776, nxpk= 15, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 449, 450, 433,
&end
#
# 0 AMB 15-2:777 0 AMB 15-1:777 7.00 (# 777:15 Double Ambig)
&rst
ixpk= 777, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 729, 414,
igr2= 693, 462,
&end
#
# 0 AMB 15-2:778 0 AMB 15-1:778 4.50 (# 778:15 Double Ambig)
&rst
ixpk= 778, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 817, 476,
igr2= 841, 462,
&end
#
# 52 ASP HN 49 LEU HN 7.00 (# 779:15 Unique 4.76, 4.77 A)
&rst
ixpk= 779, nxpk= 15, iat= 767, 710, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 52 ASP HN 50 ILE HN 7.00 (# 781:15 Unique 3.71, 3.74 A)
&rst
ixpk= 781, nxpk= 15, iat= 767, 729, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 48 HIS HN 50 ILE HN 7.00 (# 782:15 Unique 4.00, 4.03 A)
&rst
ixpk= 782, nxpk= 15, iat= 693, 729, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 51 ILE QD1 52 ASP HN 7.00 (# 783:15 Unique 5.12, 5.70 A)
&rst
ixpk= 783, nxpk= 15, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 761, 762, 763,
&end
#
# 0 AMB 15-2:784 53 ASN HN 7.00 (# 784:15 Single Ambig)
&rst
ixpk= 784, nxpk= 15, iat= -1, 779, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725, 824, 825, 824, 825,
&end
#
# 54 ARG HD+ 53 ASN HN 7.00 (# 785:15 Unique 3.69, 4.69 A)
&rst
ixpk= 785, nxpk= 15, iat= -1, 779, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 803, 804,
&end
#
# 54 ARG HG- 54 ARG HN 7.00 (# 786:15 Unique 1.99, 3.46 A)
&rst
ixpk= 786, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 800, 801,
&end
#
# 52 ASP HA 54 ARG HN 7.00 (# 787:15 Unique 3.65, 3.71 A)
&rst
ixpk= 787, nxpk= 15, iat= 769, 793, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 15-2:788 54 ARG HN 7.00 (# 788:15 Single Ambig)
&rst
ixpk= 788, nxpk= 15, iat= -1, 793, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 864, 865, 864, 865,
&end
#
# 23 PHE HB+ 24 GLU HN 5.50 (# 789:15 Unique 3.29, 3.81 A)
&rst
ixpk= 789, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 332, 333,
&end
#
# 0 AMB 15-2:790 59 GLN HN 5.50 (# 790:15 Single Ambig)
&rst
ixpk= 790, nxpk= 15, iat= -1, 891, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 895, 896, 864, 865,
&end
#
# 59 GLN HA 59 GLN HN 5.50 (# 791:15 Unique 2.76, 2.87 A)
&rst
ixpk= 791, nxpk= 15, iat= 893, 891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 GLU HN 61 SER HN 7.00 (# 793:15 Unique 4.28, 4.48 A)
&rst
ixpk= 793, nxpk= 15, iat= 929, 918, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 61 SER HN 62 GLU HN 5.50 (# 794:15 Unique 4.28, 4.48 A)
&rst
ixpk= 794, nxpk= 15, iat= 918, 929, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 VAL HN 16 VAL HA 5.50 (# 0:25 Unique 3.53, 3.60 A)
&rst
ixpk= 0, nxpk= 25, iat= 264, 213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 VAL HN 16 VAL HA 3.50 (# 1:25 Unique 2.76, 2.80 A)
&rst
ixpk= 1, nxpk= 25, iat= 211, 213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 LYS HN 16 VAL HA 5.50 (# 2:25 Unique 3.45, 3.48 A)
&rst
ixpk= 2, nxpk= 25, iat= 227, 213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 TYR HD 16 VAL HA 5.50 (# 3:25 Unique 2.99, 5.36 A)
&rst
ixpk= 3, nxpk= 25, iat= -1, 213, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 680, 689,
&end
#
# 0 AMB 25-2:4 30 VAL HA 5.50 (# 4:25 Single Ambig)
&rst
ixpk= 4, nxpk= 25, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 445, 462,
&end
#
# 30 VAL HN 30 VAL HA 4.50 (# 5:25 Unique 2.80, 2.86 A)
&rst
ixpk= 5, nxpk= 25, iat= 429, 431, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 SER HB- 30 VAL HA 4.50 (# 6:25 Unique 2.76, 3.64 A)
&rst
ixpk= 6, nxpk= 25, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 480, 481,
&end
#
# 52 ASP HN 51 ILE HA 5.50 (# 7:25 Unique 3.49, 3.49 A)
&rst
ixpk= 7, nxpk= 25, iat= 767, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 ILE HN 51 ILE HA 4.50 (# 8:25 Unique 2.88, 2.88 A)
&rst
ixpk= 8, nxpk= 25, iat= 748, 750, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 GLU HN 27 GLU HA 4.50 (# 9:25 Unique 2.76, 2.78 A)
&rst
ixpk= 9, nxpk= 25, iat= 388, 390, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:10 27 GLU HA 5.50 (# 10:25 Single Ambig)
&rst
ixpk= 10, nxpk= 25, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 403, 445,
&end
#
# 0 AMB 25-2:11 27 GLU HA 4.50 (# 11:25 Single Ambig)
&rst
ixpk= 11, nxpk= 25, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 429, 414,
&end
#
# 12 ASP HN 12 ASP HB- 3.50 (# 14:25 Unique 2.41, 2.61 A)
&rst
ixpk= 14, nxpk= 25, iat= 162, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 166, 167,
&end
#
# 12 ASP HN 12 ASP HB+ 3.50 (# 16:25 Unique 2.41, 2.61 A)
&rst
ixpk= 16, nxpk= 25, iat= 162, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 166, 167,
&end
#
# 42 GLN HN 0 AMB 25-1:19 5.50 (# 19:25 Single Ambig)
&rst
ixpk= 19, nxpk= 25, iat= 600, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 592, 593, 592, 593,
&end
#
# 41 ASP HA 0 AMB 25-1:20 2.80 (# 20:25 Single Ambig)
&rst
ixpk= 20, nxpk= 25, iat= 590, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 592, 593, 592, 593,
&end
#
# 43 LEU HN 0 AMB 25-1:21 5.50 (# 21:25 Single Ambig)
&rst
ixpk= 21, nxpk= 25, iat= 617, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 592, 593, 592, 593,
&end
#
# 41 ASP HN 0 AMB 25-1:23 2.80 (# 23:25 Single Ambig)
&rst
ixpk= 23, nxpk= 25, iat= 588, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 592, 593, 592, 593,
&end
#
# 49 LEU HN 49 LEU HB+ 3.50 (# 24:25 Unique 2.11, 2.56 A)
&rst
ixpk= 24, nxpk= 25, iat= 710, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 714, 715,
&end
#
# 50 ILE HN 49 LEU HB+ 5.50 (# 25:25 Unique 3.12, 3.43 A)
&rst
ixpk= 25, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 714, 715,
&end
#
# 0 AMB 25-2:26 0 AMB 25-1:26 3.50 (# 26:25 Double Ambig)
&rst
ixpk= 26, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 664, 712,
igr2= 714, 715, 714, 715,
&end
#
# 49 LEU HN 49 LEU HB- 4.50 (# 27:25 Unique 2.11, 2.56 A)
&rst
ixpk= 27, nxpk= 25, iat= 710, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 714, 715,
&end
#
# 50 ILE HN 49 LEU HB- 4.50 (# 28:25 Unique 3.12, 3.43 A)
&rst
ixpk= 28, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 714, 715,
&end
#
# 0 AMB 25-2:29 49 LEU HB- 3.50 (# 29:25 Single Ambig)
&rst
ixpk= 29, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 664, 712,
igr2= 714, 715,
&end
#
# 38 ASP HN 38 ASP HB- 3.50 (# 30:25 Unique 2.23, 2.79 A)
&rst
ixpk= 30, nxpk= 25, iat= 545, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 549, 550,
&end
#
# 38 ASP HA 38 ASP HB- 4.50 (# 31:25 Unique 2.76, 2.85 A)
&rst
ixpk= 31, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 549, 550,
&end
#
# 38 ASP HN 38 ASP HB+ 4.50 (# 32:25 Unique 2.23, 2.79 A)
&rst
ixpk= 32, nxpk= 25, iat= 545, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 549, 550,
&end
#
# 38 ASP HA 38 ASP HB+ 3.50 (# 33:25 Unique 2.76, 2.85 A)
&rst
ixpk= 33, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 549, 550,
&end
#
# 7 ASP HA 7 ASP HB+ 3.50 (# 34:25 Unique 2.38, 2.74 A)
&rst
ixpk= 34, nxpk= 25, iat= 93, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 95, 96,
&end
#
# 13 ASP HN 0 AMB 25-1:35 2.80 (# 35:25 Single Ambig)
&rst
ixpk= 35, nxpk= 25, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 178, 179, 178, 179,
&end
#
# 14 GLU HN 0 AMB 25-1:36 3.50 (# 36:25 Single Ambig)
&rst
ixpk= 36, nxpk= 25, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 178, 179, 178, 179,
&end
#
# 13 ASP HA 0 AMB 25-1:38 2.80 (# 38:25 Single Ambig)
&rst
ixpk= 38, nxpk= 25, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 178, 179, 178, 179,
&end
#
# 7 ASP HA 7 ASP HB- 3.50 (# 39:25 Unique 2.38, 2.74 A)
&rst
ixpk= 39, nxpk= 25, iat= 93, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 95, 96,
&end
#
# 34 LEU HN 34 LEU HB+ 3.50 (# 40:25 Unique 2.64, 3.13 A)
&rst
ixpk= 40, nxpk= 25, iat= 487, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 491, 492,
&end
#
# 35 TYR HN 34 LEU HB+ 4.50 (# 41:25 Unique 2.68, 3.33 A)
&rst
ixpk= 41, nxpk= 25, iat= 506, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 491, 492,
&end
#
# 34 LEU HA 34 LEU HB+ 3.50 (# 42:25 Unique 2.35, 2.69 A)
&rst
ixpk= 42, nxpk= 25, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 491, 492,
&end
#
# 34 LEU HN 34 LEU HB- 4.50 (# 43:25 Unique 2.64, 3.13 A)
&rst
ixpk= 43, nxpk= 25, iat= 487, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 491, 492,
&end
#
# 34 LEU HA 34 LEU HB- 3.50 (# 44:25 Unique 2.35, 2.69 A)
&rst
ixpk= 44, nxpk= 25, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 491, 492,
&end
#
# 52 ASP HN 52 ASP HB+ 3.50 (# 45:25 Unique 2.32, 2.58 A)
&rst
ixpk= 45, nxpk= 25, iat= 767, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 771, 772,
&end
#
# 53 ASN HN 52 ASP HB+ 4.50 (# 46:25 Unique 2.69, 3.27 A)
&rst
ixpk= 46, nxpk= 25, iat= 779, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 771, 772,
&end
#
# 53 ASN HN 52 ASP HB- 4.50 (# 47:25 Unique 2.69, 3.27 A)
&rst
ixpk= 47, nxpk= 25, iat= 779, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 771, 772,
&end
#
# 52 ASP HA 52 ASP HB- 3.50 (# 48:25 Unique 2.62, 2.81 A)
&rst
ixpk= 48, nxpk= 25, iat= 769, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 771, 772,
&end
#
# 52 ASP HN 52 ASP HB- 4.50 (# 49:25 Unique 2.32, 2.58 A)
&rst
ixpk= 49, nxpk= 25, iat= 767, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 771, 772,
&end
#
# 49 LEU HA 52 ASP HB- 4.50 (# 50:25 Unique 3.29, 3.55 A)
&rst
ixpk= 50, nxpk= 25, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 771, 772,
&end
#
# 43 LEU HN 43 LEU HB+ 4.50 (# 51:25 Unique 2.35, 2.99 A)
&rst
ixpk= 51, nxpk= 25, iat= 617, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 621, 622,
&end
#
# 44 ALA HN 43 LEU HB+ 4.50 (# 52:25 Unique 2.51, 3.12 A)
&rst
ixpk= 52, nxpk= 25, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 621, 622,
&end
#
# 43 LEU HN 43 LEU HB- 5.50 (# 53:25 Unique 2.35, 2.99 A)
&rst
ixpk= 53, nxpk= 25, iat= 617, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 621, 622,
&end
#
# 52 ASP HA 52 ASP HB+ 3.50 (# 54:25 Unique 2.62, 2.81 A)
&rst
ixpk= 54, nxpk= 25, iat= 769, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 771, 772,
&end
#
# 49 LEU HA 52 ASP HB+ 4.50 (# 55:25 Unique 3.29, 3.55 A)
&rst
ixpk= 55, nxpk= 25, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 771, 772,
&end
#
# 23 PHE HN 23 PHE HB+ 4.50 (# 56:25 Unique 2.18, 2.72 A)
&rst
ixpk= 56, nxpk= 25, iat= 328, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 332, 333,
&end
#
# 23 PHE HA 23 PHE HB+ 3.50 (# 58:25 Unique 2.61, 2.82 A)
&rst
ixpk= 58, nxpk= 25, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 332, 333,
&end
#
# 6 TYR HA 6 TYR HB+ 3.50 (# 60:25 Unique 2.36, 2.69 A)
&rst
ixpk= 60, nxpk= 25, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 74, 75,
&end
#
# 6 TYR HA 6 TYR HB- 3.50 (# 62:25 Unique 2.36, 2.69 A)
&rst
ixpk= 62, nxpk= 25, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 74, 75,
&end
#
# 58 ASN HA 58 ASN HB+ 4.50 (# 63:25 Unique 2.31, 2.73 A)
&rst
ixpk= 63, nxpk= 25, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 881, 882,
&end
#
# 23 PHE HN 23 PHE HB- 3.50 (# 64:25 Unique 2.18, 2.72 A)
&rst
ixpk= 64, nxpk= 25, iat= 328, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 332, 333,
&end
#
# 23 PHE HD 23 PHE HB- 7.00 (# 65:25 Unique 2.28, 3.04 A)
&rst
ixpk= 65, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 336, 344,
igr2= 332, 333,
&end
#
# 23 PHE HA 23 PHE HB- 4.50 (# 66:25 Unique 2.61, 2.82 A)
&rst
ixpk= 66, nxpk= 25, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 332, 333,
&end
#
# 9 ASN HN 9 ASN HB- 4.50 (# 67:25 Unique 2.23, 2.67 A)
&rst
ixpk= 67, nxpk= 25, iat= 113, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 117, 118,
&end
#
# 10 VAL HN 9 ASN HB- 4.50 (# 68:25 Unique 2.01, 3.12 A)
&rst
ixpk= 68, nxpk= 25, iat= 127, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 117, 118,
&end
#
# 9 ASN HD2+ 9 ASN HB- 3.50 (# 69:25 Unique 2.11, 3.23 A)
&rst
ixpk= 69, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 122, 123,
igr2= 117, 118,
&end
#
# 0 AMB 25-2:70 0 AMB 25-1:70 2.80 (# 70:25 Double Ambig)
&rst
ixpk= 70, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 879, 115,
igr2= 881, 882, 117, 118,
&end
#
# 48 HIS HN 47 TYR HB+ 4.50 (# 71:25 Unique 2.45, 3.16 A)
&rst
ixpk= 71, nxpk= 25, iat= 693, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 676, 677,
&end
#
# 44 ALA HA 47 TYR HB+ 3.50 (# 72:25 Unique 3.60, 3.69 A)
&rst
ixpk= 72, nxpk= 25, iat= 638, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 676, 677,
&end
#
# 47 TYR HN 47 TYR HB+ 3.50 (# 73:25 Unique 2.41, 2.53 A)
&rst
ixpk= 73, nxpk= 25, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 676, 677,
&end
#
# 47 TYR HD 47 TYR HB+ 3.50 (# 74:25 Unique 2.30, 3.05 A)
&rst
ixpk= 74, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 680, 689,
igr2= 676, 677,
&end
#
# 54 ARG HN 53 ASN HB- 5.50 (# 75:25 Unique 3.00, 3.51 A)
&rst
ixpk= 75, nxpk= 25, iat= 793, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 783, 784,
&end
#
# 53 ASN HN 53 ASN HB- 3.50 (# 76:25 Unique 2.19, 2.69 A)
&rst
ixpk= 76, nxpk= 25, iat= 779, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 783, 784,
&end
#
# 53 ASN HA 53 ASN HB- 3.50 (# 78:25 Unique 2.37, 2.78 A)
&rst
ixpk= 78, nxpk= 25, iat= 781, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 783, 784,
&end
#
# 47 TYR HN 47 TYR HB- 3.50 (# 81:25 Unique 2.41, 2.53 A)
&rst
ixpk= 81, nxpk= 25, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 676, 677,
&end
#
# 47 TYR HD 47 TYR HB- 3.50 (# 82:25 Unique 2.30, 3.05 A)
&rst
ixpk= 82, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 680, 689,
igr2= 676, 677,
&end
#
# 44 ALA HA 47 TYR HB- 4.50 (# 83:25 Unique 3.60, 3.69 A)
&rst
ixpk= 83, nxpk= 25, iat= 638, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 676, 677,
&end
#
# 53 ASN HA 56 ILE HB 5.50 (# 85:25 Unique 2.00, 2.14 A)
&rst
ixpk= 85, nxpk= 25, iat= 781, 845, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 ILE HA 56 ILE HB 4.50 (# 86:25 Unique 3.02, 3.02 A)
&rst
ixpk= 86, nxpk= 25, iat= 843, 845, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 GLU HA 32 ASN HB- 4.50 (# 87:25 Unique 2.38, 3.20 A)
&rst
ixpk= 87, nxpk= 25, iat= 416, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 466, 467,
&end
#
# 32 ASN HN 32 ASN HB+ 3.50 (# 88:25 Unique 2.32, 2.54 A)
&rst
ixpk= 88, nxpk= 25, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 466, 467,
&end
#
# 29 GLU HA 32 ASN HB+ 4.50 (# 90:25 Unique 2.38, 3.20 A)
&rst
ixpk= 90, nxpk= 25, iat= 416, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 466, 467,
&end
#
# 29 GLU HN 0 AMB 25-1:91 2.80 (# 91:25 Single Ambig)
&rst
ixpk= 91, nxpk= 25, iat= 414, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 421, 422, 421, 422,
&end
#
# 29 GLU HA 0 AMB 25-1:92 2.80 (# 92:25 Single Ambig)
&rst
ixpk= 92, nxpk= 25, iat= 416, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 421, 422, 421, 422,
&end
#
# 50 ILE HN 50 ILE HB 2.80 (# 93:25 Unique 2.48, 2.49 A)
&rst
ixpk= 93, nxpk= 25, iat= 729, 733, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 ILE HN 50 ILE HB 3.50 (# 94:25 Unique 2.82, 2.87 A)
&rst
ixpk= 94, nxpk= 25, iat= 748, 733, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 TYR HN 35 TYR HB+ 4.50 (# 95:25 Unique 2.52, 2.76 A)
&rst
ixpk= 95, nxpk= 25, iat= 506, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 510, 511,
&end
#
# 35 TYR HA 35 TYR HB+ 3.50 (# 97:25 Unique 2.56, 2.81 A)
&rst
ixpk= 97, nxpk= 25, iat= 508, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 510, 511,
&end
#
# 32 ASN HN 32 ASN HB- 3.50 (# 98:25 Unique 2.32, 2.54 A)
&rst
ixpk= 98, nxpk= 25, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 466, 467,
&end
#
# 32 ASN HA 32 ASN HB- 3.50 (# 100:25 Unique 2.35, 2.72 A)
&rst
ixpk= 100, nxpk= 25, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 466, 467,
&end
#
# 35 TYR HN 35 TYR HB- 3.50 (# 101:25 Unique 2.52, 2.76 A)
&rst
ixpk= 101, nxpk= 25, iat= 506, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 510, 511,
&end
#
# 35 TYR HA 35 TYR HB- 3.50 (# 103:25 Unique 2.56, 2.81 A)
&rst
ixpk= 103, nxpk= 25, iat= 508, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 510, 511,
&end
#
# 32 ASN HA 32 ASN HB+ 3.50 (# 104:25 Unique 2.35, 2.72 A)
&rst
ixpk= 104, nxpk= 25, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 466, 467,
&end
#
# 33 SER HN 32 ASN HB+ 4.50 (# 105:25 Unique 2.70, 3.36 A)
&rst
ixpk= 105, nxpk= 25, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 466, 467,
&end
#
# 11 ILE HN 11 ILE HB 3.50 (# 106:25 Unique 2.50, 2.63 A)
&rst
ixpk= 106, nxpk= 25, iat= 143, 147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 ILE HA 11 ILE HB 4.50 (# 107:25 Unique 3.01, 3.02 A)
&rst
ixpk= 107, nxpk= 25, iat= 145, 147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 GLU HA 24 GLU HG+ 3.50 (# 108:25 Unique 2.17, 2.65 A)
&rst
ixpk= 108, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 355, 356,
&end
#
# 24 GLU HN 24 GLU HG+ 5.50 (# 109:25 Unique 3.92, 4.47 A)
&rst
ixpk= 109, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 355, 356,
&end
#
# 24 GLU HN 24 GLU HG- 4.50 (# 110:25 Unique 3.92, 4.47 A)
&rst
ixpk= 110, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 355, 356,
&end
#
# 24 GLU HA 24 GLU HG- 4.50 (# 111:25 Unique 2.17, 2.65 A)
&rst
ixpk= 111, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 355, 356,
&end
#
# 14 GLU HN 14 GLU HG+ 4.50 (# 112:25 Unique 2.12, 2.71 A)
&rst
ixpk= 112, nxpk= 25, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 193, 194,
&end
#
# 14 GLU HA 14 GLU HG+ 4.50 (# 113:25 Unique 2.28, 3.00 A)
&rst
ixpk= 113, nxpk= 25, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 193, 194,
&end
#
# 27 GLU HN 27 GLU HG+ 4.50 (# 114:25 Unique 1.97, 2.63 A)
&rst
ixpk= 114, nxpk= 25, iat= 388, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 395, 396,
&end
#
# 14 GLU HN 14 GLU HG- 4.50 (# 115:25 Unique 2.12, 2.71 A)
&rst
ixpk= 115, nxpk= 25, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 193, 194,
&end
#
# 14 GLU HA 14 GLU HG- 4.50 (# 116:25 Unique 2.28, 3.00 A)
&rst
ixpk= 116, nxpk= 25, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 193, 194,
&end
#
# 52 ASP HN 51 ILE HB 4.50 (# 117:25 Unique 2.79, 2.85 A)
&rst
ixpk= 117, nxpk= 25, iat= 767, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 ILE HN 51 ILE HB 3.50 (# 118:25 Unique 2.73, 2.74 A)
&rst
ixpk= 118, nxpk= 25, iat= 748, 752, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 HIS HA 51 ILE HB 4.50 (# 119:25 Unique 2.88, 2.92 A)
&rst
ixpk= 119, nxpk= 25, iat= 695, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:120 0 AMB 25-1:120 3.50 (# 120:25 Double Ambig)
&rst
ixpk= 120, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 291, 249,
igr2= 298, 299, 256, 257,
&end
#
# 18 GLU HA 0 AMB 25-1:121 3.50 (# 121:25 Single Ambig)
&rst
ixpk= 121, nxpk= 25, iat= 251, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 298, 299, 256, 257,
&end
#
# 17 LYS HN 27 GLU HG- 5.50 (# 122:25 Unique 4.61, 5.86 A)
&rst
ixpk= 122, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 395, 396,
&end
#
# 0 AMB 25-2:124 0 AMB 25-1:124 5.50 (# 124:25 Double Ambig)
&rst
ixpk= 124, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 291, 249,
igr2= 298, 299, 256, 257,
&end
#
# 0 AMB 25-2:125 0 AMB 25-1:125 5.50 (# 125:25 Double Ambig)
&rst
ixpk= 125, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 291, 249,
igr2= 298, 299, 256, 257,
&end
#
# 0 AMB 25-2:126 0 AMB 25-1:126 4.50 (# 126:25 Double Ambig)
&rst
ixpk= 126, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 251, 931,
igr2= 298, 299, 936, 937, 936, 937,
&end
#
# 40 GLN HN 40 GLN HG+ 5.50 (# 127:25 Unique 2.10, 3.01 A)
&rst
ixpk= 127, nxpk= 25, iat= 571, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 578, 579,
&end
#
# 40 GLN HA 40 GLN HG+ 4.50 (# 128:25 Unique 2.42, 3.48 A)
&rst
ixpk= 128, nxpk= 25, iat= 573, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 578, 579,
&end
#
# 40 GLN HN 40 GLN HG- 5.50 (# 129:25 Unique 2.10, 3.01 A)
&rst
ixpk= 129, nxpk= 25, iat= 571, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 578, 579,
&end
#
# 40 GLN HA 40 GLN HG- 4.50 (# 130:25 Unique 2.42, 3.48 A)
&rst
ixpk= 130, nxpk= 25, iat= 573, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 578, 579,
&end
#
# 42 GLN HN 42 GLN HG+ 5.50 (# 131:25 Unique 2.31, 3.20 A)
&rst
ixpk= 131, nxpk= 25, iat= 600, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 607, 608,
&end
#
# 42 GLN HA 42 GLN HG+ 5.50 (# 132:25 Unique 3.14, 3.82 A)
&rst
ixpk= 132, nxpk= 25, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 607, 608,
&end
#
# 23 PHE HD 42 GLN HG+ 7.00 (# 133:25 Unique 3.34, 5.13 A)
&rst
ixpk= 133, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 336, 344,
igr2= 607, 608,
&end
#
# 42 GLN HN 42 GLN HG- 5.50 (# 134:25 Unique 2.31, 3.20 A)
&rst
ixpk= 134, nxpk= 25, iat= 600, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 607, 608,
&end
#
# 23 PHE HD 42 GLN HG- 7.00 (# 135:25 Unique 3.34, 5.13 A)
&rst
ixpk= 135, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 336, 344,
igr2= 607, 608,
&end
#
# 42 GLN HA 42 GLN HG- 5.50 (# 136:25 Unique 3.14, 3.82 A)
&rst
ixpk= 136, nxpk= 25, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 607, 608,
&end
#
# 4 MET HA 4 MET HB- 4.50 (# 137:25 Unique 2.37, 2.70 A)
&rst
ixpk= 137, nxpk= 25, iat= 44, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 46, 47,
&end
#
# 22 LYS HN 22 LYS HB+ 3.50 (# 138:25 Unique 2.13, 2.67 A)
&rst
ixpk= 138, nxpk= 25, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 310, 311,
&end
#
# 23 PHE HN 22 LYS HB+ 5.50 (# 140:25 Unique 1.95, 2.76 A)
&rst
ixpk= 140, nxpk= 25, iat= 328, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 310, 311,
&end
#
# 22 LYS HA 22 LYS HB+ 3.50 (# 141:25 Unique 2.51, 2.81 A)
&rst
ixpk= 141, nxpk= 25, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 310, 311,
&end
#
# 23 PHE HN 22 LYS HB- 4.50 (# 142:25 Unique 1.95, 2.76 A)
&rst
ixpk= 142, nxpk= 25, iat= 328, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 310, 311,
&end
#
# 22 LYS HN 22 LYS HB- 4.50 (# 143:25 Unique 2.13, 2.67 A)
&rst
ixpk= 143, nxpk= 25, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 310, 311,
&end
#
# 22 LYS HA 22 LYS HB- 3.50 (# 145:25 Unique 2.51, 2.81 A)
&rst
ixpk= 145, nxpk= 25, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 310, 311,
&end
#
# 0 AMB 25-2:146 0 AMB 25-1:146 5.50 (# 146:25 Double Ambig)
&rst
ixpk= 146, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 143, 841,
igr2= 131, 821, 822, 821, 822,
&end
#
# 0 AMB 25-2:147 0 AMB 25-1:147 4.50 (# 147:25 Double Ambig)
&rst
ixpk= 147, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 127, 817,
igr2= 131, 821, 822, 821, 822,
&end
#
# 0 AMB 25-2:148 0 AMB 25-1:148 3.50 (# 148:25 Double Ambig)
&rst
ixpk= 148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 819, 129,
igr2= 821, 822, 821, 822, 131,
&end
#
# 57 MET HA 57 MET HB+ 4.50 (# 149:25 Unique 2.39, 2.75 A)
&rst
ixpk= 149, nxpk= 25, iat= 862, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 864, 865,
&end
#
# 57 MET HA 57 MET HB- 4.50 (# 150:25 Unique 2.39, 2.75 A)
&rst
ixpk= 150, nxpk= 25, iat= 862, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 864, 865,
&end
#
# 0 AMB 25-2:151 57 MET HB- 5.50 (# 151:25 Single Ambig)
&rst
ixpk= 151, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 860, 891,
igr2= 864, 865,
&end
#
# 0 AMB 25-2:152 0 AMB 25-1:152 5.50 (# 152:25 Double Ambig)
&rst
ixpk= 152, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 447, 407, 408, 407, 408,
igr2= 452, 453, 452, 453, 452, 453,
&end
#
# 0 AMB 25-2:153 31 MET HG- 3.50 (# 153:25 Single Ambig)
&rst
ixpk= 153, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 462, 445,
igr2= 452, 453,
&end
#
# 28 SER HA 31 MET HG- 5.50 (# 154:25 Unique 2.07, 2.48 A)
&rst
ixpk= 154, nxpk= 25, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 452, 453,
&end
#
# 31 MET HA 31 MET HG- 4.50 (# 155:25 Unique 3.57, 3.78 A)
&rst
ixpk= 155, nxpk= 25, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 452, 453,
&end
#
# 2 PRO HA 2 PRO HB+ 4.50 (# 158:25 Unique 2.30, 2.51 A)
&rst
ixpk= 158, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 18, 19,
&end
#
# 17 LYS HN 0 AMB 25-1:159 2.80 (# 159:25 Single Ambig)
&rst
ixpk= 159, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 231, 232, 231, 232,
&end
#
# 14 GLU HA 0 AMB 25-1:160 3.50 (# 160:25 Single Ambig)
&rst
ixpk= 160, nxpk= 25, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 231, 232, 231, 232,
&end
#
# 17 LYS HA 0 AMB 25-1:161 2.80 (# 161:25 Single Ambig)
&rst
ixpk= 161, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 231, 232, 231, 232,
&end
#
# 0 AMB 25-2:162 0 AMB 25-1:162 5.50 (# 162:25 Double Ambig)
&rst
ixpk= 162, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 617, 186, 710,
igr2= 650, 231, 232, 231, 232,
&end
#
# 46 ALA HN 45 VAL HB 3.50 (# 164:25 Unique 2.36, 2.38 A)
&rst
ixpk= 164, nxpk= 25, iat= 662, 650, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 GLN HA 45 VAL HB 3.50 (# 166:25 Unique 3.14, 3.32 A)
&rst
ixpk= 166, nxpk= 25, iat= 602, 650, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 VAL HN 45 VAL HB 3.50 (# 167:25 Unique 2.49, 2.50 A)
&rst
ixpk= 167, nxpk= 25, iat= 646, 650, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:168 0 AMB 25-1:168 4.50 (# 168:25 Double Ambig)
&rst
ixpk= 168, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 462, 445,
igr2= 452, 453, 452, 453,
&end
#
# 26 THR HN 25 CYS HB+ 3.50 (# 169:25 Unique 1.95, 2.86 A)
&rst
ixpk= 169, nxpk= 25, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 367, 368,
&end
#
# 25 CYS HA 25 CYS HB+ 3.50 (# 170:25 Unique 2.40, 2.68 A)
&rst
ixpk= 170, nxpk= 25, iat= 365, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 367, 368,
&end
#
# 26 THR HN 25 CYS HB- 4.50 (# 171:25 Unique 1.95, 2.86 A)
&rst
ixpk= 171, nxpk= 25, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 367, 368,
&end
#
# 25 CYS HN 25 CYS HB- 4.50 (# 172:25 Unique 2.28, 3.09 A)
&rst
ixpk= 172, nxpk= 25, iat= 363, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 367, 368,
&end
#
# 25 CYS HA 25 CYS HB- 3.50 (# 173:25 Unique 2.40, 2.68 A)
&rst
ixpk= 173, nxpk= 25, iat= 365, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 367, 368,
&end
#
# 20 CYS HN 19 VAL HB 5.50 (# 174:25 Unique 3.77, 3.89 A)
&rst
ixpk= 174, nxpk= 25, iat= 280, 268, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 VAL HN 19 VAL HB 3.50 (# 175:25 Unique 3.60, 3.61 A)
&rst
ixpk= 175, nxpk= 25, iat= 264, 268, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 VAL HN 16 VAL HB 2.80 (# 176:25 Unique 2.62, 2.66 A)
&rst
ixpk= 176, nxpk= 25, iat= 211, 215, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 17 LYS HN 16 VAL HB 3.50 (# 177:25 Unique 2.77, 2.91 A)
&rst
ixpk= 177, nxpk= 25, iat= 227, 215, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 ASP HA 16 VAL HB 3.50 (# 178:25 Unique 2.28, 2.49 A)
&rst
ixpk= 178, nxpk= 25, iat= 176, 215, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 MET HN 30 VAL HB 3.50 (# 179:25 Unique 2.04, 2.12 A)
&rst
ixpk= 179, nxpk= 25, iat= 445, 433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 VAL HN 30 VAL HB 3.50 (# 180:25 Unique 2.48, 2.49 A)
&rst
ixpk= 180, nxpk= 25, iat= 429, 433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 3 HIS HA 3 HIS HB+ 4.50 (# 181:25 Unique 2.39, 2.72 A)
&rst
ixpk= 181, nxpk= 25, iat= 27, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 29, 30,
&end
#
# 31 MET HN 31 MET HB+ 3.50 (# 182:25 Unique 2.54, 3.10 A)
&rst
ixpk= 182, nxpk= 25, iat= 445, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 449, 450,
&end
#
# 31 MET HA 31 MET HB+ 4.50 (# 183:25 Unique 2.35, 2.45 A)
&rst
ixpk= 183, nxpk= 25, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 449, 450,
&end
#
# 0 AMB 25-2:184 0 AMB 25-1:184 4.50 (# 184:25 Double Ambig)
&rst
ixpk= 184, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 405, 145,
igr2= 449, 450, 449, 450,
&end
#
# 55 ARG HN 54 ARG HB+ 3.50 (# 185:25 Unique 2.70, 3.31 A)
&rst
ixpk= 185, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 797, 798,
&end
#
# 54 ARG HN 54 ARG HB+ 3.50 (# 187:25 Unique 2.16, 2.96 A)
&rst
ixpk= 187, nxpk= 25, iat= 793, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 797, 798,
&end
#
# 54 ARG HA 54 ARG HB+ 3.50 (# 188:25 Unique 2.43, 2.78 A)
&rst
ixpk= 188, nxpk= 25, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 797, 798,
&end
#
# 31 MET HN 31 MET HB- 4.50 (# 189:25 Unique 2.54, 3.10 A)
&rst
ixpk= 189, nxpk= 25, iat= 445, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 449, 450,
&end
#
# 55 ARG HN 54 ARG HB- 3.50 (# 190:25 Unique 2.70, 3.31 A)
&rst
ixpk= 190, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 797, 798,
&end
#
# 31 MET HA 31 MET HB- 3.50 (# 192:25 Unique 2.35, 2.45 A)
&rst
ixpk= 192, nxpk= 25, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 449, 450,
&end
#
# 52 ASP HA 54 ARG HB- 7.00 (# 193:25 Unique 4.10, 5.03 A)
&rst
ixpk= 193, nxpk= 25, iat= 769, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 797, 798,
&end
#
# 54 ARG HA 54 ARG HB- 3.50 (# 194:25 Unique 2.43, 2.78 A)
&rst
ixpk= 194, nxpk= 25, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 797, 798,
&end
#
# 22 LYS HN 0 AMB 25-1:195 4.50 (# 195:25 Single Ambig)
&rst
ixpk= 195, nxpk= 25, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 295, 296, 253, 254,
&end
#
# 26 THR HN 29 GLU HB+ 5.50 (# 196:25 Unique 2.31, 3.26 A)
&rst
ixpk= 196, nxpk= 25, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 418, 419,
&end
#
# 0 AMB 25-2:197 0 AMB 25-1:197 3.50 (# 197:25 Double Ambig)
&rst
ixpk= 197, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 414, 429,
igr2= 418, 419, 418, 419,
&end
#
# 29 GLU HA 29 GLU HB+ 4.50 (# 198:25 Unique 2.52, 2.78 A)
&rst
ixpk= 198, nxpk= 25, iat= 416, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 418, 419,
&end
#
# 18 GLU HN 18 GLU HB+ 3.50 (# 199:25 Unique 2.20, 3.00 A)
&rst
ixpk= 199, nxpk= 25, iat= 249, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 253, 254,
&end
#
# 18 GLU HA 18 GLU HB+ 2.80 (# 200:25 Unique 2.46, 2.76 A)
&rst
ixpk= 200, nxpk= 25, iat= 251, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 253, 254,
&end
#
# 0 AMB 25-2:201 0 AMB 25-1:201 2.80 (# 201:25 Double Ambig)
&rst
ixpk= 201, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 249, 291,
igr2= 253, 254, 295, 296,
&end
#
# 0 AMB 25-2:202 0 AMB 25-1:202 2.80 (# 202:25 Double Ambig)
&rst
ixpk= 202, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 293, 251,
igr2= 295, 296, 253, 254,
&end
#
# 19 VAL HN 18 GLU HB- 4.50 (# 203:25 Unique 2.41, 3.13 A)
&rst
ixpk= 203, nxpk= 25, iat= 264, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 253, 254,
&end
#
# 22 LYS HN 21 GLU HB- 4.50 (# 204:25 Unique 3.96, 4.05 A)
&rst
ixpk= 204, nxpk= 25, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 295, 296,
&end
#
# 21 GLU HN 21 GLU HB- 3.50 (# 205:25 Unique 2.57, 3.16 A)
&rst
ixpk= 205, nxpk= 25, iat= 291, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 295, 296,
&end
#
# 21 GLU HA 21 GLU HB- 2.80 (# 206:25 Unique 2.37, 2.45 A)
&rst
ixpk= 206, nxpk= 25, iat= 293, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 295, 296,
&end
#
# 0 AMB 25-2:207 29 GLU HB- 4.50 (# 207:25 Single Ambig)
&rst
ixpk= 207, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 414, 429,
igr2= 418, 419,
&end
#
# 29 GLU HA 29 GLU HB- 3.50 (# 208:25 Unique 2.52, 2.78 A)
&rst
ixpk= 208, nxpk= 25, iat= 416, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 418, 419,
&end
#
# 19 VAL HN 18 GLU HB+ 5.50 (# 209:25 Unique 2.41, 3.13 A)
&rst
ixpk= 209, nxpk= 25, iat= 264, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 253, 254,
&end
#
# 59 GLN HA 59 GLN HB- 4.50 (# 211:25 Unique 2.37, 2.70 A)
&rst
ixpk= 211, nxpk= 25, iat= 893, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 895, 896,
&end
#
# 50 ILE HN 50 ILE HG1- 3.50 (# 212:25 Unique 2.45, 3.26 A)
&rst
ixpk= 212, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 739, 740,
&end
#
# 50 ILE HN 50 ILE HG1+ 5.50 (# 213:25 Unique 2.45, 3.26 A)
&rst
ixpk= 213, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 739, 740,
&end
#
# 48 HIS HN 0 AMB 25-1:214 3.50 (# 214:25 Single Ambig)
&rst
ixpk= 214, nxpk= 25, iat= 693, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 697, 698, 697, 698,
&end
#
# 49 LEU HN 0 AMB 25-1:215 4.50 (# 215:25 Single Ambig)
&rst
ixpk= 215, nxpk= 25, iat= 710, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 697, 698, 697, 698,
&end
#
# 41 ASP HN 0 AMB 25-1:216 7.00 (# 216:25 Single Ambig)
&rst
ixpk= 216, nxpk= 25, iat= 588, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2= 697, 698, 697, 698,
&end
#
# 48 HIS HA 0 AMB 25-1:217 3.50 (# 217:25 Single Ambig)
&rst
ixpk= 217, nxpk= 25, iat= 695, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 697, 698, 697, 698,
&end
#
# 15 ALA HN 14 GLU HB- 4.50 (# 218:25 Unique 2.40, 3.09 A)
&rst
ixpk= 218, nxpk= 25, iat= 201, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 190, 191,
&end
#
# 0 AMB 25-2:219 0 AMB 25-1:219 3.50 (# 219:25 Double Ambig)
&rst
ixpk= 219, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 891, 186,
igr2= 895, 896, 190, 191,
&end
#
# 14 GLU HA 14 GLU HB- 3.50 (# 220:25 Unique 2.44, 2.75 A)
&rst
ixpk= 220, nxpk= 25, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 190, 191,
&end
#
# 15 ALA HN 14 GLU HB+ 4.50 (# 221:25 Unique 2.40, 3.09 A)
&rst
ixpk= 221, nxpk= 25, iat= 201, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 190, 191,
&end
#
# 28 SER HN 27 GLU HB+ 4.50 (# 222:25 Unique 2.67, 3.32 A)
&rst
ixpk= 222, nxpk= 25, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 392, 393,
&end
#
# 27 GLU HN 27 GLU HB+ 3.50 (# 223:25 Unique 2.51, 3.08 A)
&rst
ixpk= 223, nxpk= 25, iat= 388, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 392, 393,
&end
#
# 27 GLU HN 27 GLU HB- 4.50 (# 224:25 Unique 2.51, 3.08 A)
&rst
ixpk= 224, nxpk= 25, iat= 388, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 392, 393,
&end
#
# 28 SER HN 27 GLU HB- 4.50 (# 225:25 Unique 2.67, 3.32 A)
&rst
ixpk= 225, nxpk= 25, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 392, 393,
&end
#
# 40 GLN HN 40 GLN HB+ 5.50 (# 227:25 Unique 2.47, 3.19 A)
&rst
ixpk= 227, nxpk= 25, iat= 571, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 575, 576,
&end
#
# 40 GLN HA 40 GLN HB+ 3.50 (# 228:25 Unique 2.37, 2.56 A)
&rst
ixpk= 228, nxpk= 25, iat= 573, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 575, 576,
&end
#
# 14 GLU HA 14 GLU HB+ 4.50 (# 229:25 Unique 2.44, 2.75 A)
&rst
ixpk= 229, nxpk= 25, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 190, 191,
&end
#
# 14 GLU HN 14 GLU HB+ 3.50 (# 230:25 Unique 2.40, 3.05 A)
&rst
ixpk= 230, nxpk= 25, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 190, 191,
&end
#
# 40 GLN HN 40 GLN HB- 3.50 (# 231:25 Unique 2.47, 3.19 A)
&rst
ixpk= 231, nxpk= 25, iat= 571, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 575, 576,
&end
#
# 40 GLN HA 40 GLN HB- 4.50 (# 232:25 Unique 2.37, 2.56 A)
&rst
ixpk= 232, nxpk= 25, iat= 573, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 575, 576,
&end
#
# 42 GLN HN 0 AMB 25-1:233 3.50 (# 233:25 Single Ambig)
&rst
ixpk= 233, nxpk= 25, iat= 600, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 604, 605, 604, 605,
&end
#
# 42 GLN HA 0 AMB 25-1:234 2.80 (# 234:25 Single Ambig)
&rst
ixpk= 234, nxpk= 25, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 604, 605, 604, 605,
&end
#
# 56 ILE HA 56 ILE HG1- 5.50 (# 235:25 Unique 2.57, 3.09 A)
&rst
ixpk= 235, nxpk= 25, iat= 843, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 851, 852,
&end
#
# 55 ARG HN 56 ILE HG1- 5.50 (# 236:25 Unique 3.46, 4.42 A)
&rst
ixpk= 236, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 851, 852,
&end
#
# 55 ARG HN 56 ILE HG1+ 5.50 (# 237:25 Unique 3.46, 4.42 A)
&rst
ixpk= 237, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 851, 852,
&end
#
# 56 ILE HA 56 ILE HG1+ 5.50 (# 238:25 Unique 2.57, 3.09 A)
&rst
ixpk= 238, nxpk= 25, iat= 843, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 851, 852,
&end
#
# 11 ILE HN 11 ILE HG1- 5.50 (# 239:25 Unique 2.04, 2.98 A)
&rst
ixpk= 239, nxpk= 25, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 153, 154,
&end
#
# 11 ILE HA 11 ILE HG1- 5.50 (# 240:25 Unique 2.34, 3.15 A)
&rst
ixpk= 240, nxpk= 25, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 153, 154,
&end
#
# 11 ILE HN 11 ILE HG1+ 5.50 (# 241:25 Unique 2.04, 2.98 A)
&rst
ixpk= 241, nxpk= 25, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 153, 154,
&end
#
# 11 ILE HA 11 ILE HG1+ 5.50 (# 242:25 Unique 2.34, 3.15 A)
&rst
ixpk= 242, nxpk= 25, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 153, 154,
&end
#
# 54 ARG HN 54 ARG HD- 4.50 (# 243:25 Unique 1.95, 2.94 A)
&rst
ixpk= 243, nxpk= 25, iat= 793, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 803, 804,
&end
#
# 54 ARG HA 54 ARG HD- 4.50 (# 244:25 Unique 2.18, 3.07 A)
&rst
ixpk= 244, nxpk= 25, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 803, 804,
&end
#
# 55 ARG HN 54 ARG HD+ 5.50 (# 246:25 Unique 4.38, 5.14 A)
&rst
ixpk= 246, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 803, 804,
&end
#
# 54 ARG HA 54 ARG HD+ 4.50 (# 247:25 Unique 2.18, 3.07 A)
&rst
ixpk= 247, nxpk= 25, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 803, 804,
&end
#
# 48 HIS HA 51 ILE HG1- 5.50 (# 249:25 Unique 2.27, 3.19 A)
&rst
ixpk= 249, nxpk= 25, iat= 695, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 758, 759,
&end
#
# 51 ILE HN 51 ILE HG1- 4.50 (# 250:25 Unique 1.92, 2.47 A)
&rst
ixpk= 250, nxpk= 25, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 758, 759,
&end
#
# 51 ILE HN 51 ILE HG1+ 3.50 (# 251:25 Unique 1.92, 2.47 A)
&rst
ixpk= 251, nxpk= 25, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 758, 759,
&end
#
# 48 HIS HA 51 ILE HG1+ 4.50 (# 252:25 Unique 2.27, 3.19 A)
&rst
ixpk= 252, nxpk= 25, iat= 695, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 758, 759,
&end
#
# 20 CYS HN 20 CYS HB+ 3.50 (# 253:25 Unique 2.09, 2.64 A)
&rst
ixpk= 253, nxpk= 25, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 284, 285,
&end
#
# 21 GLU HN 20 CYS HB+ 3.50 (# 254:25 Unique 2.65, 3.29 A)
&rst
ixpk= 254, nxpk= 25, iat= 291, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 284, 285,
&end
#
# 17 LYS HA 20 CYS HB+ 3.50 (# 255:25 Unique 2.44, 3.23 A)
&rst
ixpk= 255, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 284, 285,
&end
#
# 20 CYS HN 20 CYS HB- 4.50 (# 256:25 Unique 2.09, 2.64 A)
&rst
ixpk= 256, nxpk= 25, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 284, 285,
&end
#
# 20 CYS HA 20 CYS HB- 3.50 (# 257:25 Unique 2.40, 2.76 A)
&rst
ixpk= 257, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 284, 285,
&end
#
# 17 LYS HA 20 CYS HB- 4.50 (# 258:25 Unique 2.44, 3.23 A)
&rst
ixpk= 258, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 284, 285,
&end
#
# 21 GLU HN 20 CYS HB- 4.50 (# 259:25 Unique 2.65, 3.29 A)
&rst
ixpk= 259, nxpk= 25, iat= 291, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 284, 285,
&end
#
# 24 GLU HA 0 AMB 25-1:260 2.80 (# 260:25 Single Ambig)
&rst
ixpk= 260, nxpk= 25, iat= 350, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 352, 353, 352, 353,
&end
#
# 24 GLU HN 0 AMB 25-1:261 4.50 (# 261:25 Single Ambig)
&rst
ixpk= 261, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 352, 353, 352, 353,
&end
#
# 39 PRO HA 39 PRO HG+ 5.50 (# 262:25 Unique 3.85, 3.94 A)
&rst
ixpk= 262, nxpk= 25, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 561, 562,
&end
#
# 43 LEU HN 43 LEU HG 3.50 (# 267:25 Unique 2.44, 2.73 A)
&rst
ixpk= 267, nxpk= 25, iat= 617, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 20 CYS HA 20 CYS HB+ 5.50 (# 268:25 Unique 2.40, 2.76 A)
&rst
ixpk= 268, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 284, 285,
&end
#
# 39 PRO HA 39 PRO HG- 5.50 (# 269:25 Unique 3.85, 3.94 A)
&rst
ixpk= 269, nxpk= 25, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 561, 562,
&end
#
# 49 LEU HN 49 LEU HG 5.50 (# 270:25 Unique 4.46, 4.47 A)
&rst
ixpk= 270, nxpk= 25, iat= 710, 717, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:271 49 LEU HG 5.50 (# 271:25 Single Ambig)
&rst
ixpk= 271, nxpk= 25, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 664, 712,
&end
#
# 34 LEU HN 34 LEU HG 3.50 (# 272:25 Unique 2.02, 2.07 A)
&rst
ixpk= 272, nxpk= 25, iat= 487, 494, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 MET HA 34 LEU HG 4.50 (# 273:25 Unique 2.00, 2.05 A)
&rst
ixpk= 273, nxpk= 25, iat= 447, 494, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 LYS HN 17 LYS HG+ 5.50 (# 275:25 Unique 2.45, 3.40 A)
&rst
ixpk= 275, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 234, 235,
&end
#
# 17 LYS HA 17 LYS HG+ 5.50 (# 276:25 Unique 2.22, 2.79 A)
&rst
ixpk= 276, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 234, 235,
&end
#
# 17 LYS HA 17 LYS HG- 5.50 (# 277:25 Unique 2.22, 2.79 A)
&rst
ixpk= 277, nxpk= 25, iat= 229, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 234, 235,
&end
#
# 22 LYS HA 22 LYS HG+ 5.50 (# 278:25 Unique 2.17, 3.02 A)
&rst
ixpk= 278, nxpk= 25, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 22 LYS HA 22 LYS HG- 5.50 (# 280:25 Unique 2.17, 3.02 A)
&rst
ixpk= 280, nxpk= 25, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 43 LEU HN 43 LEU MDX 5.50 (# 281:25 Unique 3.51, 4.63 A)
&rst
ixpk= 281, nxpk= 25, iat= 617, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 23 PHE HD 43 LEU MDX 5.50 (# 282:25 Unique 2.18, 4.89 A)
&rst
ixpk= 282, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 336, 344,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 33 SER HB- 43 LEU MDX 5.50 (# 283:25 Unique 2.60, 5.35 A)
&rst
ixpk= 283, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 480, 481,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 0 AMB 25-2:284 0 AMB 25-1:284 4.50 (# 284:25 Double Ambig)
&rst
ixpk= 284, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 280, 374,
igr2= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
222, 223,
&end
#
# 30 VAL HN 30 VAL MGY 2.80 (# 285:25 Unique 2.18, 3.84 A)
&rst
ixpk= 285, nxpk= 25, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 31 MET HN 0 AMB 25-1:287 4.50 (# 287:25 Single Ambig)
&rst
ixpk= 287, nxpk= 25, iat= 445, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
222, 223,
&end
#
# 23 PHE HE 30 VAL MGY 5.50 (# 288:25 Unique 6.69, 9.28 A)
&rst
ixpk= 288, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 342,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 47 TYR HN 0 AMB 25-1:290 7.00 (# 290:25 Single Ambig)
&rst
ixpk= 290, nxpk= 25, iat= 672, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr2= 270, 271, 272, 274, 275, 276, 435, 436, 437, 439,
440, 441,
&end
#
# 20 CYS HA 30 VAL MGY 5.50 (# 291:25 Unique 3.70, 5.72 A)
&rst
ixpk= 291, nxpk= 25, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 20 CYS HN 19 VAL MGY 5.50 (# 292:25 Unique 2.29, 4.06 A)
&rst
ixpk= 292, nxpk= 25, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 VAL HN 19 VAL MGY 5.50 (# 293:25 Unique 1.95, 3.04 A)
&rst
ixpk= 293, nxpk= 25, iat= 264, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 47 TYR HN 19 VAL MGY 4.50 (# 294:25 Unique 2.99, 4.79 A)
&rst
ixpk= 294, nxpk= 25, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 25-2:295 19 VAL MGY 5.50 (# 295:25 Single Ambig)
&rst
ixpk= 295, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 336, 344, 429,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 47 TYR HD 19 VAL MGY 4.50 (# 296:25 Unique 3.55, 5.97 A)
&rst
ixpk= 296, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 680, 689,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 47 TYR HD 19 VAL MGX 4.50 (# 297:25 Unique 3.55, 5.97 A)
&rst
ixpk= 297, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 680, 689,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 25-2:298 19 VAL MGY 5.50 (# 298:25 Single Ambig)
&rst
ixpk= 298, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 664, 203,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 16 VAL HN 19 VAL MGX 4.50 (# 299:25 Unique 4.19, 5.61 A)
&rst
ixpk= 299, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 17 LYS HN 19 VAL MGX 5.50 (# 300:25 Unique 3.95, 5.75 A)
&rst
ixpk= 300, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 45 VAL HN 45 VAL MGY 2.80 (# 305:25 Unique 2.53, 3.95 A)
&rst
ixpk= 305, nxpk= 25, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 652, 653, 654, 656, 657, 658,
&end
#
# 42 GLN HA 45 VAL MGY 5.50 (# 306:25 Unique 3.31, 5.03 A)
&rst
ixpk= 306, nxpk= 25, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 652, 653, 654, 656, 657, 658,
&end
#
# 0 AMB 25-2:307 34 LEU MDY 5.50 (# 307:25 Single Ambig)
&rst
ixpk= 307, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 617, 571,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 34 LEU HN 34 LEU MDY 4.50 (# 308:25 Unique 2.90, 4.10 A)
&rst
ixpk= 308, nxpk= 25, iat= 487, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 25-2:309 34 LEU MDY 2.80 (# 309:25 Single Ambig)
&rst
ixpk= 309, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 447, 638, 489,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 47 TYR HD 34 LEU MDY 4.50 (# 311:25 Unique 4.04, 5.65 A)
&rst
ixpk= 311, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 680, 689,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 33 SER HB- 34 LEU MDY 4.50 (# 312:25 Unique 3.24, 5.79 A)
&rst
ixpk= 312, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 480, 481,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 43 LEU HN 43 LEU MDY 5.50 (# 313:25 Unique 3.51, 4.63 A)
&rst
ixpk= 313, nxpk= 25, iat= 617, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 23 PHE HD 43 LEU MDY 4.50 (# 314:25 Unique 2.18, 4.89 A)
&rst
ixpk= 314, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 336, 344,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 25 CYS HA 26 THR MG2 5.50 (# 315:25 Unique 3.56, 4.62 A)
&rst
ixpk= 315, nxpk= 25, iat= 365, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 380, 381, 382,
&end
#
# 27 GLU HN 26 THR MG2 5.50 (# 316:25 Unique 3.66, 4.70 A)
&rst
ixpk= 316, nxpk= 25, iat= 388, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 380, 381, 382,
&end
#
# 26 THR HN 26 THR MG2 3.50 (# 317:25 Unique 2.24, 3.25 A)
&rst
ixpk= 317, nxpk= 25, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 380, 381, 382,
&end
#
# 26 THR HA 26 THR MG2 2.80 (# 318:25 Unique 2.28, 3.12 A)
&rst
ixpk= 318, nxpk= 25, iat= 376, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 380, 381, 382,
&end
#
# 26 THR HB 26 THR MG2 2.80 (# 319:25 Unique 2.23, 2.64 A)
&rst
ixpk= 319, nxpk= 25, iat= 378, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 380, 381, 382,
&end
#
# 0 AMB 25-2:320 0 AMB 25-1:320 4.50 (# 320:25 Double Ambig)
&rst
ixpk= 320, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 445, 693,
igr2= 435, 436, 437, 439, 440, 441, 652, 653, 654, 656,
657, 658,
&end
#
# 30 VAL HN 30 VAL MGX 5.50 (# 321:25 Unique 2.18, 3.84 A)
&rst
ixpk= 321, nxpk= 25, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 47 TYR HD 30 VAL MGX 5.50 (# 322:25 Unique 2.85, 6.51 A)
&rst
ixpk= 322, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 680, 689,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 0 AMB 25-2:323 0 AMB 25-1:323 5.50 (# 323:25 Double Ambig)
&rst
ixpk= 323, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 447, 602, 638,
igr2= 435, 436, 437, 439, 440, 441, 652, 653, 654, 656,
657, 658,
&end
#
# 47 TYR HN 46 ALA MB 4.50 (# 325:25 Unique 2.86, 3.60 A)
&rst
ixpk= 325, nxpk= 25, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 666, 667, 668,
&end
#
# 46 ALA HN 46 ALA MB 2.80 (# 326:25 Unique 2.22, 2.89 A)
&rst
ixpk= 326, nxpk= 25, iat= 662, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 666, 667, 668,
&end
#
# 23 PHE HD 46 ALA MB 7.00 (# 327:25 Unique 3.09, 6.10 A)
&rst
ixpk= 327, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 336, 344,
igr2= 666, 667, 668,
&end
#
# 46 ALA HA 46 ALA MB 2.80 (# 330:25 Unique 2.31, 2.63 A)
&rst
ixpk= 330, nxpk= 25, iat= 664, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 666, 667, 668,
&end
#
# 60 ALA HA 60 ALA MB 4.50 (# 331:25 Unique 2.22, 2.63 A)
&rst
ixpk= 331, nxpk= 25, iat= 910, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 912, 913, 914,
&end
#
# 0 AMB 25-2:332 60 ALA MB 5.50 (# 332:25 Single Ambig)
&rst
ixpk= 332, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 908, 918,
igr2= 912, 913, 914,
&end
#
# 8 ALA HN 8 ALA MB 4.50 (# 334:25 Unique 2.11, 2.98 A)
&rst
ixpk= 334, nxpk= 25, iat= 103, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 107, 108, 109,
&end
#
# 8 ALA HA 8 ALA MB 2.80 (# 335:25 Unique 2.22, 2.63 A)
&rst
ixpk= 335, nxpk= 25, iat= 105, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 107, 108, 109,
&end
#
# 15 ALA HN 15 ALA MB 3.50 (# 336:25 Unique 2.09, 2.91 A)
&rst
ixpk= 336, nxpk= 25, iat= 201, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 205, 206, 207,
&end
#
# 16 VAL HN 15 ALA MB 4.50 (# 337:25 Unique 2.67, 3.47 A)
&rst
ixpk= 337, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 205, 206, 207,
&end
#
# 47 TYR HD 15 ALA MB 4.50 (# 339:25 Unique 2.33, 4.77 A)
&rst
ixpk= 339, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 680, 689,
igr2= 205, 206, 207,
&end
#
# 15 ALA HA 15 ALA MB 2.80 (# 340:25 Unique 2.22, 2.63 A)
&rst
ixpk= 340, nxpk= 25, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 205, 206, 207,
&end
#
# 34 LEU HN 44 ALA MB 7.00 (# 342:25 Unique 4.28, 5.38 A)
&rst
ixpk= 342, nxpk= 25, iat= 487, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 640, 641, 642,
&end
#
# 39 PRO HA 44 ALA MB 5.50 (# 343:25 Unique 2.04, 3.12 A)
&rst
ixpk= 343, nxpk= 25, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 640, 641, 642,
&end
#
# 12 ASP HN 11 ILE QG2 4.50 (# 344:25 Unique 2.35, 3.50 A)
&rst
ixpk= 344, nxpk= 25, iat= 162, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 149, 150, 151,
&end
#
# 0 AMB 25-2:345 11 ILE QG2 5.50 (# 345:25 Single Ambig)
&rst
ixpk= 345, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 143, 445,
igr2= 149, 150, 151,
&end
#
# 13 ASP HA 11 ILE QG2 7.00 (# 347:25 Unique 3.66, 4.72 A)
&rst
ixpk= 347, nxpk= 25, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 149, 150, 151,
&end
#
# 11 ILE HA 11 ILE QG2 4.50 (# 348:25 Unique 2.27, 3.04 A)
&rst
ixpk= 348, nxpk= 25, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 149, 150, 151,
&end
#
# 52 ASP HN 51 ILE QG2 5.50 (# 349:25 Unique 4.28, 4.81 A)
&rst
ixpk= 349, nxpk= 25, iat= 767, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 754, 755, 756,
&end
#
# 51 ILE HN 51 ILE QG2 4.50 (# 350:25 Unique 4.40, 4.55 A)
&rst
ixpk= 350, nxpk= 25, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 754, 755, 756,
&end
#
# 52 ASP HA 51 ILE QG2 5.50 (# 351:25 Unique 4.21, 5.14 A)
&rst
ixpk= 351, nxpk= 25, iat= 769, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 754, 755, 756,
&end
#
# 48 HIS HA 51 ILE QG2 5.50 (# 352:25 Unique 4.72, 5.18 A)
&rst
ixpk= 352, nxpk= 25, iat= 695, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 754, 755, 756,
&end
#
# 56 ILE HA 56 ILE QG2 4.50 (# 353:25 Unique 2.34, 3.10 A)
&rst
ixpk= 353, nxpk= 25, iat= 843, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 847, 848, 849,
&end
#
# 15 ALA HA 50 ILE QG2 4.50 (# 354:25 Unique 3.11, 4.24 A)
&rst
ixpk= 354, nxpk= 25, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 735, 736, 737,
&end
#
# 50 ILE HN 50 ILE QG2 5.50 (# 355:25 Unique 4.42, 4.56 A)
&rst
ixpk= 355, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 735, 736, 737,
&end
#
# 51 ILE HN 0 AMB 25-1:356 4.50 (# 356:25 Single Ambig)
&rst
ixpk= 356, nxpk= 25, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 735, 736, 737, 754, 755, 756,
&end
#
# 51 ILE HN 51 ILE QD1 5.50 (# 357:25 Unique 4.07, 4.37 A)
&rst
ixpk= 357, nxpk= 25, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 761, 762, 763,
&end
#
# 48 HIS HA 51 ILE QD1 5.50 (# 359:25 Unique 2.76, 3.50 A)
&rst
ixpk= 359, nxpk= 25, iat= 695, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 761, 762, 763,
&end
#
# 0 AMB 25-2:360 51 ILE QD1 5.50 (# 360:25 Single Ambig)
&rst
ixpk= 360, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 201, 162,
igr2= 761, 762, 763,
&end
#
# 11 ILE HA 11 ILE QD1 4.50 (# 362:25 Unique 2.00, 3.87 A)
&rst
ixpk= 362, nxpk= 25, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 156, 157, 158,
&end
#
# 51 ILE HA 54 ARG HG- 5.50 (# 363:25 Unique 2.12, 3.81 A)
&rst
ixpk= 363, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 800, 801,
&end
#
# 33 SER HB+ 43 LEU HB+ 4.50 (# 364:25 Unique 2.62, 3.22 A)
&rst
ixpk= 364, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 480, 481,
igr2= 621, 622,
&end
#
# 43 LEU HA 43 LEU HB- 3.50 (# 365:25 Unique 2.45, 2.76 A)
&rst
ixpk= 365, nxpk= 25, iat= 619, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 621, 622,
&end
#
# 30 VAL HA 43 LEU HB- 4.50 (# 366:25 Unique 2.07, 2.79 A)
&rst
ixpk= 366, nxpk= 25, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 621, 622,
&end
#
# 43 LEU HA 43 LEU HB+ 4.50 (# 367:25 Unique 2.45, 2.76 A)
&rst
ixpk= 367, nxpk= 25, iat= 619, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 621, 622,
&end
#
# 47 TYR HA 47 TYR HB+ 4.50 (# 368:25 Unique 2.37, 2.70 A)
&rst
ixpk= 368, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 676, 677,
&end
#
# 50 ILE HA 53 ASN HB- 4.50 (# 369:25 Unique 2.62, 3.33 A)
&rst
ixpk= 369, nxpk= 25, iat= 731, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 783, 784,
&end
#
# 19 VAL HA 23 PHE HB- 5.50 (# 370:25 Unique 4.00, 5.03 A)
&rst
ixpk= 370, nxpk= 25, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 332, 333,
&end
#
# 47 TYR HA 47 TYR HB- 3.50 (# 371:25 Unique 2.37, 2.70 A)
&rst
ixpk= 371, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 676, 677,
&end
#
# 47 TYR HA 50 ILE HB 4.50 (# 372:25 Unique 4.39, 4.46 A)
&rst
ixpk= 372, nxpk= 25, iat= 674, 733, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 ILE HA 50 ILE HB 4.50 (# 373:25 Unique 3.02, 3.02 A)
&rst
ixpk= 373, nxpk= 25, iat= 731, 733, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 GLU HA 27 GLU HG+ 4.50 (# 374:25 Unique 2.36, 2.86 A)
&rst
ixpk= 374, nxpk= 25, iat= 390, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 395, 396,
&end
#
# 27 GLU HA 27 GLU HG- 4.50 (# 375:25 Unique 2.36, 2.86 A)
&rst
ixpk= 375, nxpk= 25, iat= 390, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 395, 396,
&end
#
# 51 ILE HA 51 ILE HB 4.50 (# 376:25 Unique 3.00, 3.00 A)
&rst
ixpk= 376, nxpk= 25, iat= 750, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 VAL HA 22 LYS HB+ 5.50 (# 377:25 Unique 1.99, 2.70 A)
&rst
ixpk= 377, nxpk= 25, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 310, 311,
&end
#
# 19 VAL HA 22 LYS HB- 5.50 (# 378:25 Unique 1.99, 2.70 A)
&rst
ixpk= 378, nxpk= 25, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 310, 311,
&end
#
# 45 VAL HA 45 VAL HB 4.50 (# 379:25 Unique 3.02, 3.02 A)
&rst
ixpk= 379, nxpk= 25, iat= 648, 650, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 VAL HA 19 VAL HB 4.50 (# 381:25 Unique 2.48, 2.50 A)
&rst
ixpk= 381, nxpk= 25, iat= 266, 268, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 VAL HA 16 VAL HB 3.50 (# 382:25 Unique 3.02, 3.02 A)
&rst
ixpk= 382, nxpk= 25, iat= 213, 215, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 GLU HA 30 VAL HB 4.50 (# 383:25 Unique 2.99, 3.20 A)
&rst
ixpk= 383, nxpk= 25, iat= 390, 433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 ILE HA 54 ARG HB- 5.50 (# 384:25 Unique 3.55, 4.58 A)
&rst
ixpk= 384, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 797, 798,
&end
#
# 25 CYS HB+ 29 GLU HB+ 5.50 (# 385:25 Unique 2.18, 3.54 A)
&rst
ixpk= 385, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 367, 368,
igr2= 418, 419,
&end
#
# 50 ILE HA 50 ILE HG1- 4.50 (# 386:25 Unique 2.58, 2.75 A)
&rst
ixpk= 386, nxpk= 25, iat= 731, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 739, 740,
&end
#
# 50 ILE HA 50 ILE HG1+ 4.50 (# 387:25 Unique 2.58, 2.75 A)
&rst
ixpk= 387, nxpk= 25, iat= 731, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 739, 740,
&end
#
# 45 VAL HA 0 AMB 25-1:388 4.50 (# 388:25 Single Ambig)
&rst
ixpk= 388, nxpk= 25, iat= 648, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 697, 698, 697, 698,
&end
#
# 27 GLU HA 27 GLU HB+ 3.50 (# 389:25 Unique 2.43, 2.74 A)
&rst
ixpk= 389, nxpk= 25, iat= 390, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 392, 393,
&end
#
# 27 GLU HA 27 GLU HB- 3.50 (# 390:25 Unique 2.43, 2.74 A)
&rst
ixpk= 390, nxpk= 25, iat= 390, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 392, 393,
&end
#
# 51 ILE HA 51 ILE HG1+ 4.50 (# 391:25 Unique 2.66, 3.00 A)
&rst
ixpk= 391, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 758, 759,
&end
#
# 51 ILE HA 54 ARG HD- 5.50 (# 392:25 Unique 2.06, 3.42 A)
&rst
ixpk= 392, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 803, 804,
&end
#
# 51 ILE HA 51 ILE HG1- 5.50 (# 393:25 Unique 2.66, 3.00 A)
&rst
ixpk= 393, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 758, 759,
&end
#
# 51 ILE HA 54 ARG HD- 5.50 (# 394:25 Unique 2.06, 3.42 A)
&rst
ixpk= 394, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 803, 804,
&end
#
# 43 LEU HA 43 LEU HG 4.50 (# 395:25 Unique 3.02, 3.07 A)
&rst
ixpk= 395, nxpk= 25, iat= 619, 624, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 LEU HA 43 LEU MDX 5.50 (# 396:25 Unique 2.00, 3.75 A)
&rst
ixpk= 396, nxpk= 25, iat= 619, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 25 CYS HB+ 43 LEU MDX 5.50 (# 397:25 Unique 2.36, 4.42 A)
&rst
ixpk= 397, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 367, 368,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 33 SER HB+ 43 LEU MDX 5.50 (# 398:25 Unique 2.60, 5.35 A)
&rst
ixpk= 398, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 480, 481,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 0 AMB 25-2:399 30 VAL MGY 3.50 (# 399:25 Single Ambig)
&rst
ixpk= 399, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 619, 266,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 47 TYR HA 19 VAL MGY 2.80 (# 400:25 Unique 2.00, 3.48 A)
&rst
ixpk= 400, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 VAL HA 19 VAL MGY 2.80 (# 401:25 Unique 2.37, 3.45 A)
&rst
ixpk= 401, nxpk= 25, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 16 VAL HA 19 VAL MGY 4.50 (# 402:25 Unique 2.00, 3.50 A)
&rst
ixpk= 402, nxpk= 25, iat= 213, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 16 VAL HA 19 VAL MGX 2.80 (# 403:25 Unique 2.00, 3.50 A)
&rst
ixpk= 403, nxpk= 25, iat= 213, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 33 SER HB+ 34 LEU MDY 7.00 (# 404:25 Unique 3.24, 5.79 A)
&rst
ixpk= 404, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 480, 481,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 43 LEU HA 43 LEU MDY 2.80 (# 405:25 Unique 2.00, 3.75 A)
&rst
ixpk= 405, nxpk= 25, iat= 619, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 16 VAL HA 30 VAL MGX 3.50 (# 406:25 Unique 3.22, 4.71 A)
&rst
ixpk= 406, nxpk= 25, iat= 213, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 45 VAL HA 49 LEU MDY 4.50 (# 407:25 Unique 4.54, 6.72 A)
&rst
ixpk= 407, nxpk= 25, iat= 648, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 719, 720, 721, 723, 724, 725,
&end
#
# 43 LEU HA 46 ALA MB 3.50 (# 408:25 Unique 2.77, 3.66 A)
&rst
ixpk= 408, nxpk= 25, iat= 619, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 666, 667, 668,
&end
#
# 47 TYR HA 15 ALA MB 5.50 (# 409:25 Unique 3.03, 4.11 A)
&rst
ixpk= 409, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 205, 206, 207,
&end
#
# 51 ILE HA 15 ALA MB 7.00 (# 410:25 Unique 4.47, 5.49 A)
&rst
ixpk= 410, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 205, 206, 207,
&end
#
# 51 ILE HA 51 ILE QG2 3.50 (# 412:25 Unique 2.24, 2.96 A)
&rst
ixpk= 412, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 754, 755, 756,
&end
#
# 50 ILE HA 50 ILE QG2 3.50 (# 413:25 Unique 2.40, 3.13 A)
&rst
ixpk= 413, nxpk= 25, iat= 731, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 735, 736, 737,
&end
#
# 51 ILE HA 51 ILE QD1 5.50 (# 414:25 Unique 4.41, 4.69 A)
&rst
ixpk= 414, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 761, 762, 763,
&end
#
# 30 VAL HA 30 VAL HB 5.50 (# 417:25 Unique 3.02, 3.02 A)
&rst
ixpk= 417, nxpk= 25, iat= 431, 433, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:419 54 ARG HB- 4.50 (# 419:25 Single Ambig)
&rst
ixpk= 419, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 800, 801, 800, 801,
igr2= 797, 798,
&end
#
# 0 AMB 25-2:421 54 ARG HB- 4.50 (# 421:25 Single Ambig)
&rst
ixpk= 421, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 800, 801, 800, 801,
igr2= 797, 798,
&end
#
# 54 ARG HG- 14 GLU HB+ 5.50 (# 422:25 Unique 6.25, 7.84 A)
&rst
ixpk= 422, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 800, 801,
igr2= 190, 191,
&end
#
# 53 ASN HB+ 50 ILE HG1- 4.50 (# 423:25 Unique 4.98, 5.74 A)
&rst
ixpk= 423, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 783, 784,
igr2= 739, 740,
&end
#
# 53 ASN HB- 22 LYS HD- 5.50 (# 424:25 Unique 6.92, 8.67 A)
&rst
ixpk= 424, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 783, 784,
igr2= 316, 317,
&end
#
# 54 ARG HG- 54 ARG HD- 3.50 (# 425:25 Unique 2.25, 2.67 A)
&rst
ixpk= 425, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 800, 801,
igr2= 803, 804,
&end
#
# 54 ARG HG+ 54 ARG HD+ 3.50 (# 427:25 Unique 2.25, 2.67 A)
&rst
ixpk= 427, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 800, 801,
igr2= 803, 804,
&end
#
# 30 VAL HA 43 LEU MDX 4.50 (# 429:25 Unique 2.13, 3.87 A)
&rst
ixpk= 429, nxpk= 25, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 30 VAL HA 30 VAL MGY 3.50 (# 430:25 Unique 2.43, 3.11 A)
&rst
ixpk= 430, nxpk= 25, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 47 TYR HB+ 19 VAL MGY 4.50 (# 431:25 Unique 2.97, 5.18 A)
&rst
ixpk= 431, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 676, 677,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 47 TYR HB+ 34 LEU MDY 4.50 (# 432:25 Unique 3.43, 5.03 A)
&rst
ixpk= 432, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 676, 677,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 23 PHE HB+ 43 LEU MDY 4.50 (# 433:25 Unique 2.07, 4.22 A)
&rst
ixpk= 433, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 332, 333,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 30 VAL HA 30 VAL MGX 3.50 (# 434:25 Unique 2.43, 3.11 A)
&rst
ixpk= 434, nxpk= 25, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 12 ASP HB+ 15 ALA MB 3.50 (# 435:25 Unique 2.00, 3.73 A)
&rst
ixpk= 435, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 166, 167,
igr2= 205, 206, 207,
&end
#
# 12 ASP HB+ 51 ILE QG2 5.50 (# 436:25 Unique 4.71, 5.85 A)
&rst
ixpk= 436, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 166, 167,
igr2= 754, 755, 756,
&end
#
# 0 AMB 25-2:437 0 AMB 25-1:437 5.50 (# 437:25 Double Ambig)
&rst
ixpk= 437, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 800, 801, 800, 801, 800, 801,
igr2= 754, 755, 756, 735, 736, 737,
&end
#
# 12 ASP HB+ 51 ILE QD1 4.50 (# 438:25 Unique 2.52, 3.51 A)
&rst
ixpk= 438, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 166, 167,
igr2= 761, 762, 763,
&end
#
# 0 AMB 25-2:441 0 AMB 25-1:441 7.00 (# 441:25 Double Ambig)
&rst
ixpk= 441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.34, r4=13.09,
igr1= 215, 193, 194, 193, 194,
igr2= 231, 232, 231, 232, 231, 232,
&end
#
# 31 MET HG+ 31 MET HB+ 3.50 (# 443:25 Unique 2.22, 2.70 A)
&rst
ixpk= 443, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 452, 453,
igr2= 449, 450,
&end
#
# 31 MET HG+ 31 MET HB- 4.50 (# 444:25 Unique 2.22, 2.70 A)
&rst
ixpk= 444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 452, 453,
igr2= 449, 450,
&end
#
# 31 MET HG- 31 MET HB- 4.50 (# 445:25 Unique 2.22, 2.70 A)
&rst
ixpk= 445, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 452, 453,
igr2= 449, 450,
&end
#
# 14 GLU HG+ 14 GLU HB+ 3.50 (# 446:25 Unique 2.22, 2.69 A)
&rst
ixpk= 446, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 193, 194,
igr2= 190, 191,
&end
#
# 0 AMB 25-2:447 16 VAL MGY 5.50 (# 447:25 Single Ambig)
&rst
ixpk= 447, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 452, 453, 178, 179, 178, 179,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 47 TYR HB- 19 VAL MGY 4.50 (# 448:25 Unique 2.97, 5.18 A)
&rst
ixpk= 448, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 676, 677,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 VAL HB 19 VAL MGY 2.80 (# 449:25 Unique 2.39, 2.63 A)
&rst
ixpk= 449, nxpk= 25, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 VAL HB 19 VAL MGX 2.80 (# 450:25 Unique 2.39, 2.63 A)
&rst
ixpk= 450, nxpk= 25, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 47 TYR HB- 34 LEU MDY 5.50 (# 452:25 Unique 3.43, 5.03 A)
&rst
ixpk= 452, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 676, 677,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 47 TYR HB- 30 VAL MGX 5.50 (# 453:25 Unique 2.88, 5.31 A)
&rst
ixpk= 453, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 676, 677,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 12 ASP HB- 15 ALA MB 4.50 (# 454:25 Unique 2.00, 3.73 A)
&rst
ixpk= 454, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 166, 167,
igr2= 205, 206, 207,
&end
#
# 12 ASP HB- 51 ILE QD1 4.50 (# 455:25 Unique 2.52, 3.51 A)
&rst
ixpk= 455, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 166, 167,
igr2= 761, 762, 763,
&end
#
# 39 PRO HG- 39 PRO HA 3.50 (# 457:25 Unique 3.85, 3.94 A)
&rst
ixpk= 457, nxpk= 25, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 561, 562,
&end
#
# 44 ALA MB 39 PRO HA 5.50 (# 458:25 Unique 2.04, 3.12 A)
&rst
ixpk= 458, nxpk= 25, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 640, 641, 642,
&end
#
# 2 PRO HB+ 2 PRO HA 4.50 (# 459:25 Unique 2.30, 2.51 A)
&rst
ixpk= 459, nxpk= 25, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 18, 19,
&end
#
# 2 PRO HB- 2 PRO HA 7.00 (# 460:25 Unique 2.30, 2.51 A)
&rst
ixpk= 460, nxpk= 25, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 18, 19,
&end
#
# 30 VAL HA 33 SER HB- 4.50 (# 461:25 Unique 2.76, 3.64 A)
&rst
ixpk= 461, nxpk= 25, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 480, 481,
&end
#
# 43 LEU MDX 33 SER HB- 4.50 (# 462:25 Unique 2.60, 5.35 A)
&rst
ixpk= 462, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 480, 481,
&end
#
# 43 LEU HB+ 33 SER HB+ 4.50 (# 463:25 Unique 2.62, 3.22 A)
&rst
ixpk= 463, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 621, 622,
igr2= 480, 481,
&end
#
# 43 LEU HB- 33 SER HB+ 5.50 (# 464:25 Unique 2.62, 3.22 A)
&rst
ixpk= 464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 621, 622,
igr2= 480, 481,
&end
#
# 43 LEU MDX 33 SER HB+ 5.50 (# 465:25 Unique 2.60, 5.35 A)
&rst
ixpk= 465, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 480, 481,
&end
#
# 43 LEU HB+ 33 SER HB- 4.50 (# 466:25 Unique 2.62, 3.22 A)
&rst
ixpk= 466, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 621, 622,
igr2= 480, 481,
&end
#
# 43 LEU HB- 33 SER HB- 5.50 (# 467:25 Unique 2.62, 3.22 A)
&rst
ixpk= 467, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 621, 622,
igr2= 480, 481,
&end
#
# 0 AMB 25-2:468 0 AMB 25-1:468 5.50 (# 468:25 Double Ambig)
&rst
ixpk= 468, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 421, 422, 421, 422, 421, 422,
igr2= 407, 408, 407, 408, 407, 408,
&end
#
# 30 VAL HA 33 SER HB+ 5.50 (# 469:25 Unique 2.76, 3.64 A)
&rst
ixpk= 469, nxpk= 25, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 480, 481,
&end
#
# 44 ALA MB 33 SER HB+ 5.50 (# 470:25 Unique 2.54, 4.50 A)
&rst
ixpk= 470, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 640, 641, 642,
igr2= 480, 481,
&end
#
# 56 ILE HB 56 ILE HA 4.50 (# 471:25 Unique 3.02, 3.02 A)
&rst
ixpk= 471, nxpk= 25, iat= 845, 843, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 ILE HG1- 56 ILE HA 4.50 (# 472:25 Unique 2.57, 3.09 A)
&rst
ixpk= 472, nxpk= 25, iat= -1, 843, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 851, 852,
&end
#
# 56 ILE HG1+ 56 ILE HA 4.50 (# 473:25 Unique 2.57, 3.09 A)
&rst
ixpk= 473, nxpk= 25, iat= -1, 843, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 851, 852,
&end
#
# 0 AMB 25-2:474 56 ILE HA 3.50 (# 474:25 Single Ambig)
&rst
ixpk= 474, nxpk= 25, iat= -1, 843, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 847, 848, 849, 824, 825,
&end
#
# 0 AMB 25-2:475 0 AMB 25-1:475 4.50 (# 475:25 Double Ambig)
&rst
ixpk= 475, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 821, 822, 821, 822, 131,
igr2= 819, 129,
&end
#
# 0 AMB 25-2:476 0 AMB 25-1:476 2.80 (# 476:25 Double Ambig)
&rst
ixpk= 476, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1= 133, 134, 135, 137, 138, 139, 824, 825, 824, 825,
igr2= 129, 819,
&end
#
# 0 AMB 25-2:477 28 SER HA 4.50 (# 477:25 Single Ambig)
&rst
ixpk= 477, nxpk= 25, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 449, 450, 433,
&end
#
# 31 MET HB- 28 SER HA 5.50 (# 478:25 Unique 4.41, 4.69 A)
&rst
ixpk= 478, nxpk= 25, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 449, 450,
&end
#
# 0 AMB 25-2:479 48 HIS HA 2.80 (# 479:25 Single Ambig)
&rst
ixpk= 479, nxpk= 25, iat= -1, 695, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 697, 698, 697, 698,
&end
#
# 51 ILE HB 48 HIS HA 4.50 (# 480:25 Unique 2.88, 2.92 A)
&rst
ixpk= 480, nxpk= 25, iat= 752, 695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 ILE HG1- 48 HIS HA 4.50 (# 481:25 Unique 2.27, 3.19 A)
&rst
ixpk= 481, nxpk= 25, iat= -1, 695, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 758, 759,
&end
#
# 51 ILE HG1+ 48 HIS HA 4.50 (# 482:25 Unique 2.27, 3.19 A)
&rst
ixpk= 482, nxpk= 25, iat= -1, 695, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 758, 759,
&end
#
# 51 ILE QG2 48 HIS HA 5.50 (# 483:25 Unique 4.72, 5.18 A)
&rst
ixpk= 483, nxpk= 25, iat= -1, 695, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 754, 755, 756,
&end
#
# 51 ILE QD1 48 HIS HA 5.50 (# 484:25 Unique 2.76, 3.50 A)
&rst
ixpk= 484, nxpk= 25, iat= -1, 695, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 761, 762, 763,
&end
#
# 20 CYS HB+ 17 LYS HA 4.50 (# 485:25 Unique 2.44, 3.23 A)
&rst
ixpk= 485, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 284, 285,
&end
#
# 20 CYS HB- 17 LYS HA 4.50 (# 486:25 Unique 2.44, 3.23 A)
&rst
ixpk= 486, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 284, 285,
&end
#
# 0 AMB 25-2:487 17 LYS HA 2.80 (# 487:25 Single Ambig)
&rst
ixpk= 487, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 231, 232, 231, 232,
&end
#
# 17 LYS HG+ 17 LYS HA 4.50 (# 488:25 Unique 2.22, 2.79 A)
&rst
ixpk= 488, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 234, 235,
&end
#
# 17 LYS HG- 17 LYS HA 4.50 (# 489:25 Unique 2.22, 2.79 A)
&rst
ixpk= 489, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 234, 235,
&end
#
# 16 VAL MGX 17 LYS HA 4.50 (# 490:25 Unique 3.82, 5.69 A)
&rst
ixpk= 490, nxpk= 25, iat= -1, 229, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 0 AMB 25-2:491 18 GLU HA 3.50 (# 491:25 Single Ambig)
&rst
ixpk= 491, nxpk= 25, iat= -1, 251, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 298, 299, 256, 257,
&end
#
# 0 AMB 25-2:492 0 AMB 25-1:492 2.80 (# 492:25 Double Ambig)
&rst
ixpk= 492, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 298, 299, 295, 296, 253, 254, 256, 257,
igr2= 251, 293,
&end
#
# 32 ASN HB- 29 GLU HA 3.50 (# 493:25 Unique 2.38, 3.20 A)
&rst
ixpk= 493, nxpk= 25, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 466, 467,
&end
#
# 0 AMB 25-2:494 29 GLU HA 2.80 (# 494:25 Single Ambig)
&rst
ixpk= 494, nxpk= 25, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 421, 422, 421, 422,
&end
#
# 29 GLU HB- 29 GLU HA 2.80 (# 495:25 Unique 2.52, 2.78 A)
&rst
ixpk= 495, nxpk= 25, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 418, 419,
&end
#
# 17 LYS HE- 14 GLU HA 5.50 (# 496:25 Unique 2.07, 5.07 A)
&rst
ixpk= 496, nxpk= 25, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 240, 241,
&end
#
# 14 GLU HG+ 14 GLU HA 4.50 (# 497:25 Unique 2.28, 3.00 A)
&rst
ixpk= 497, nxpk= 25, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 193, 194,
&end
#
# 14 GLU HG- 14 GLU HA 3.50 (# 498:25 Unique 2.28, 3.00 A)
&rst
ixpk= 498, nxpk= 25, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 193, 194,
&end
#
# 14 GLU HB+ 14 GLU HA 2.80 (# 499:25 Unique 2.44, 2.75 A)
&rst
ixpk= 499, nxpk= 25, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 190, 191,
&end
#
# 11 ILE HB 11 ILE HA 4.50 (# 500:25 Unique 3.01, 3.02 A)
&rst
ixpk= 500, nxpk= 25, iat= 147, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 ARG HD+ 14 GLU HA 5.50 (# 501:25 Unique 7.92, 9.61 A)
&rst
ixpk= 501, nxpk= 25, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 803, 804,
&end
#
# 11 ILE HG1- 11 ILE HA 5.50 (# 502:25 Unique 2.34, 3.15 A)
&rst
ixpk= 502, nxpk= 25, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 153, 154,
&end
#
# 11 ILE HG1+ 11 ILE HA 4.50 (# 503:25 Unique 2.34, 3.15 A)
&rst
ixpk= 503, nxpk= 25, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 153, 154,
&end
#
# 11 ILE QG2 11 ILE HA 3.50 (# 504:25 Unique 2.27, 3.04 A)
&rst
ixpk= 504, nxpk= 25, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 149, 150, 151,
&end
#
# 42 GLN HG- 42 GLN HA 4.50 (# 505:25 Unique 3.14, 3.82 A)
&rst
ixpk= 505, nxpk= 25, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 607, 608,
&end
#
# 0 AMB 25-2:506 42 GLN HA 2.80 (# 506:25 Single Ambig)
&rst
ixpk= 506, nxpk= 25, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 604, 605, 604, 605,
&end
#
# 45 VAL HB 42 GLN HA 2.80 (# 507:25 Unique 3.14, 3.32 A)
&rst
ixpk= 507, nxpk= 25, iat= 650, 602, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 45 VAL MGY 42 GLN HA 4.50 (# 508:25 Unique 3.31, 5.03 A)
&rst
ixpk= 508, nxpk= 25, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 42 GLN HG+ 42 GLN HA 5.50 (# 509:25 Unique 3.14, 3.82 A)
&rst
ixpk= 509, nxpk= 25, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 607, 608,
&end
#
# 22 LYS HB+ 22 LYS HA 3.50 (# 512:25 Unique 2.51, 2.81 A)
&rst
ixpk= 512, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 22 LYS HB- 22 LYS HA 3.50 (# 513:25 Unique 2.51, 2.81 A)
&rst
ixpk= 513, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 310, 311,
&end
#
# 22 LYS HD- 22 LYS HA 5.50 (# 514:25 Unique 2.00, 3.31 A)
&rst
ixpk= 514, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 316, 317,
&end
#
# 22 LYS HG+ 22 LYS HA 4.50 (# 515:25 Unique 2.17, 3.02 A)
&rst
ixpk= 515, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 313, 314,
&end
#
# 22 LYS HG- 22 LYS HA 4.50 (# 516:25 Unique 2.17, 3.02 A)
&rst
ixpk= 516, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 313, 314,
&end
#
# 23 PHE HB+ 23 PHE HA 3.50 (# 517:25 Unique 2.61, 2.82 A)
&rst
ixpk= 517, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 332, 333,
&end
#
# 23 PHE HB- 23 PHE HA 4.50 (# 518:25 Unique 2.61, 2.82 A)
&rst
ixpk= 518, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 332, 333,
&end
#
# 0 AMB 25-2:519 0 AMB 25-1:519 2.80 (# 519:25 Double Ambig)
&rst
ixpk= 519, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 803, 804, 933, 934, 933, 934, 797, 798,
igr2= 795, 931,
&end
#
# 0 AMB 25-2:520 0 AMB 25-1:520 3.50 (# 520:25 Double Ambig)
&rst
ixpk= 520, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 803, 804, 714, 715,
igr2= 795, 712,
&end
#
# 35 TYR HB- 35 TYR HA 3.50 (# 521:25 Unique 2.56, 2.81 A)
&rst
ixpk= 521, nxpk= 25, iat= -1, 508, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 510, 511,
&end
#
# 6 TYR HB+ 6 TYR HA 3.50 (# 522:25 Unique 2.36, 2.69 A)
&rst
ixpk= 522, nxpk= 25, iat= -1, 72, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 74, 75,
&end
#
# 52 ASP HB+ 49 LEU HA 3.50 (# 523:25 Unique 3.29, 3.55 A)
&rst
ixpk= 523, nxpk= 25, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 771, 772,
&end
#
# 52 ASP HB- 49 LEU HA 5.50 (# 524:25 Unique 3.29, 3.55 A)
&rst
ixpk= 524, nxpk= 25, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 771, 772,
&end
#
# 49 LEU HB+ 49 LEU HA 3.50 (# 525:25 Unique 2.69, 2.82 A)
&rst
ixpk= 525, nxpk= 25, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 714, 715,
&end
#
# 49 LEU HB- 49 LEU HA 2.80 (# 526:25 Unique 2.69, 2.82 A)
&rst
ixpk= 526, nxpk= 25, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 714, 715,
&end
#
# 0 AMB 25-2:527 49 LEU HA 2.80 (# 527:25 Single Ambig)
&rst
ixpk= 527, nxpk= 25, iat= -1, 712, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725,
&end
#
# 31 MET HB+ 31 MET HA 3.50 (# 528:25 Unique 2.35, 2.45 A)
&rst
ixpk= 528, nxpk= 25, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 449, 450,
&end
#
# 35 TYR HB+ 35 TYR HA 3.50 (# 529:25 Unique 2.56, 2.81 A)
&rst
ixpk= 529, nxpk= 25, iat= -1, 508, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 510, 511,
&end
#
# 6 TYR HB- 6 TYR HA 3.50 (# 530:25 Unique 2.36, 2.69 A)
&rst
ixpk= 530, nxpk= 25, iat= -1, 72, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 74, 75,
&end
#
# 0 AMB 25-2:531 13 ASP HA 2.80 (# 531:25 Single Ambig)
&rst
ixpk= 531, nxpk= 25, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 178, 179, 178, 179,
&end
#
# 16 VAL HB 13 ASP HA 2.80 (# 532:25 Unique 2.28, 2.49 A)
&rst
ixpk= 532, nxpk= 25, iat= 215, 176, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 VAL MGX 13 ASP HA 4.50 (# 533:25 Unique 2.03, 4.04 A)
&rst
ixpk= 533, nxpk= 25, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 11 ILE QG2 13 ASP HA 5.50 (# 534:25 Unique 3.66, 4.72 A)
&rst
ixpk= 534, nxpk= 25, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 149, 150, 151,
&end
#
# 0 AMB 25-2:535 0 AMB 25-1:535 3.50 (# 535:25 Double Ambig)
&rst
ixpk= 535, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 494, 640, 641, 642,
igr2= 447, 489,
&end
#
# 34 LEU HB- 34 LEU HA 3.50 (# 536:25 Unique 2.35, 2.69 A)
&rst
ixpk= 536, nxpk= 25, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 491, 492,
&end
#
# 34 LEU MDY 0 AMB 25-1:537 2.80 (# 537:25 Single Ambig)
&rst
ixpk= 537, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 447, 489,
&end
#
# 31 MET HG- 31 MET HA 4.50 (# 538:25 Unique 3.57, 3.78 A)
&rst
ixpk= 538, nxpk= 25, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 452, 453,
&end
#
# 31 MET HB- 31 MET HA 3.50 (# 539:25 Unique 2.35, 2.45 A)
&rst
ixpk= 539, nxpk= 25, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 449, 450,
&end
#
# 34 LEU HB+ 34 LEU HA 3.50 (# 540:25 Unique 2.35, 2.69 A)
&rst
ixpk= 540, nxpk= 25, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 491, 492,
&end
#
# 0 AMB 25-2:541 31 MET HA 5.50 (# 541:25 Single Ambig)
&rst
ixpk= 541, nxpk= 25, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 435, 436, 437, 439, 440, 441, 149, 150, 151,
&end
#
# 34 LEU MDX 0 AMB 25-1:542 3.50 (# 542:25 Single Ambig)
&rst
ixpk= 542, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 447, 489,
&end
#
# 54 ARG HB+ 52 ASP HA 5.50 (# 543:25 Unique 4.10, 5.03 A)
&rst
ixpk= 543, nxpk= 25, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 797, 798,
&end
#
# 16 VAL MGY 13 ASP HA 4.50 (# 544:25 Unique 2.03, 4.04 A)
&rst
ixpk= 544, nxpk= 25, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 52 ASP HB+ 52 ASP HA 3.50 (# 548:25 Unique 2.62, 2.81 A)
&rst
ixpk= 548, nxpk= 25, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 771, 772,
&end
#
# 52 ASP HB- 52 ASP HA 3.50 (# 549:25 Unique 2.62, 2.81 A)
&rst
ixpk= 549, nxpk= 25, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 771, 772,
&end
#
# 0 AMB 25-2:550 52 ASP HA 7.00 (# 550:25 Single Ambig)
&rst
ixpk= 550, nxpk= 25, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 797, 798, 803, 804,
&end
#
# 51 ILE QG2 52 ASP HA 5.50 (# 551:25 Unique 4.21, 5.14 A)
&rst
ixpk= 551, nxpk= 25, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 754, 755, 756,
&end
#
# 0 AMB 25-2:552 24 GLU HA 2.80 (# 552:25 Single Ambig)
&rst
ixpk= 552, nxpk= 25, iat= -1, 350, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 355, 356, 352, 353, 352, 353,
&end
#
# 3 HIS HB+ 3 HIS HA 3.50 (# 553:25 Unique 2.39, 2.72 A)
&rst
ixpk= 553, nxpk= 25, iat= -1, 27, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 29, 30,
&end
#
# 57 MET HB+ 57 MET HA 2.80 (# 555:25 Unique 2.39, 2.75 A)
&rst
ixpk= 555, nxpk= 25, iat= -1, 862, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 864, 865,
&end
#
# 35 TYR HB+ 32 ASN HA 5.50 (# 556:25 Unique 3.91, 4.30 A)
&rst
ixpk= 556, nxpk= 25, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 510, 511,
&end
#
# 32 ASN HB- 32 ASN HA 2.80 (# 557:25 Unique 2.35, 2.72 A)
&rst
ixpk= 557, nxpk= 25, iat= -1, 464, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 466, 467,
&end
#
# 59 GLN HG- 59 GLN HA 5.50 (# 558:25 Unique 2.19, 3.09 A)
&rst
ixpk= 558, nxpk= 25, iat= -1, 893, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 898, 899,
&end
#
# 59 GLN HB+ 59 GLN HA 4.50 (# 559:25 Unique 2.37, 2.70 A)
&rst
ixpk= 559, nxpk= 25, iat= -1, 893, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 895, 896,
&end
#
# 59 GLN HB- 59 GLN HA 4.50 (# 560:25 Unique 2.37, 2.70 A)
&rst
ixpk= 560, nxpk= 25, iat= -1, 893, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 895, 896,
&end
#
# 0 AMB 25-2:561 41 ASP HA 2.80 (# 561:25 Single Ambig)
&rst
ixpk= 561, nxpk= 25, iat= -1, 590, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 592, 593, 592, 593,
&end
#
# 56 ILE QD1 53 ASN HA 7.00 (# 562:25 Unique 2.02, 4.00 A)
&rst
ixpk= 562, nxpk= 25, iat= -1, 781, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr1= 854, 855, 856,
&end
#
# 0 AMB 25-2:564 15 ALA HA 3.50 (# 564:25 Single Ambig)
&rst
ixpk= 564, nxpk= 25, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 253, 254, 256, 257,
&end
#
# 15 ALA MB 15 ALA HA 2.80 (# 565:25 Unique 2.22, 2.63 A)
&rst
ixpk= 565, nxpk= 25, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 205, 206, 207,
&end
#
# 0 AMB 25-2:566 15 ALA HA 5.50 (# 566:25 Single Ambig)
&rst
ixpk= 566, nxpk= 25, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 758, 759, 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 25-2:567 15 ALA HA 7.00 (# 567:25 Single Ambig)
&rst
ixpk= 567, nxpk= 25, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
igr1= 758, 759, 742, 743, 744,
&end
#
# 50 ILE QG2 15 ALA HA 4.50 (# 568:25 Unique 3.11, 4.24 A)
&rst
ixpk= 568, nxpk= 25, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 735, 736, 737,
&end
#
# 49 LEU HB+ 46 ALA HA 3.50 (# 569:25 Unique 2.11, 2.16 A)
&rst
ixpk= 569, nxpk= 25, iat= -1, 664, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 714, 715,
&end
#
# 49 LEU HB- 46 ALA HA 3.50 (# 570:25 Unique 2.11, 2.16 A)
&rst
ixpk= 570, nxpk= 25, iat= -1, 664, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 714, 715,
&end
#
# 46 ALA MB 46 ALA HA 2.80 (# 571:25 Unique 2.31, 2.63 A)
&rst
ixpk= 571, nxpk= 25, iat= -1, 664, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 666, 667, 668,
&end
#
# 0 AMB 25-2:572 46 ALA HA 3.50 (# 572:25 Single Ambig)
&rst
ixpk= 572, nxpk= 25, iat= -1, 664, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725,
&end
#
# 53 ASN HB- 53 ASN HA 2.80 (# 573:25 Unique 2.37, 2.78 A)
&rst
ixpk= 573, nxpk= 25, iat= -1, 781, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 783, 784,
&end
#
# 58 ASN HB- 53 ASN HA 7.00 (# 574:25 Unique 7.49, 8.74 A)
&rst
ixpk= 574, nxpk= 25, iat= -1, 781, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 881, 882,
&end
#
# 56 ILE HB 53 ASN HA 5.50 (# 575:25 Unique 2.00, 2.14 A)
&rst
ixpk= 575, nxpk= 25, iat= 845, 781, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 GLN HG+ 40 GLN HA 4.50 (# 576:25 Unique 2.42, 3.48 A)
&rst
ixpk= 576, nxpk= 25, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 578, 579,
&end
#
# 0 AMB 25-2:577 40 GLN HA 2.80 (# 577:25 Single Ambig)
&rst
ixpk= 577, nxpk= 25, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 575, 576, 578, 579,
&end
#
# 40 GLN HB- 40 GLN HA 3.50 (# 578:25 Unique 2.37, 2.56 A)
&rst
ixpk= 578, nxpk= 25, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 575, 576,
&end
#
# 45 VAL MGY 40 GLN HA 3.50 (# 579:25 Unique 2.16, 3.98 A)
&rst
ixpk= 579, nxpk= 25, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 47 TYR HB+ 44 ALA HA 3.50 (# 580:25 Unique 3.60, 3.69 A)
&rst
ixpk= 580, nxpk= 25, iat= -1, 638, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 676, 677,
&end
#
# 44 ALA MB 44 ALA HA 2.80 (# 581:25 Unique 2.32, 2.63 A)
&rst
ixpk= 581, nxpk= 25, iat= -1, 638, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 640, 641, 642,
&end
#
# 34 LEU MDY 44 ALA HA 3.50 (# 582:25 Unique 2.06, 3.90 A)
&rst
ixpk= 582, nxpk= 25, iat= -1, 638, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 47 TYR HB- 44 ALA HA 5.50 (# 583:25 Unique 3.60, 3.69 A)
&rst
ixpk= 583, nxpk= 25, iat= -1, 638, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 676, 677,
&end
#
# 7 ASP HB+ 7 ASP HA 3.50 (# 584:25 Unique 2.38, 2.74 A)
&rst
ixpk= 584, nxpk= 25, iat= -1, 93, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 95, 96,
&end
#
# 7 ASP HB- 7 ASP HA 3.50 (# 585:25 Unique 2.38, 2.74 A)
&rst
ixpk= 585, nxpk= 25, iat= -1, 93, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 95, 96,
&end
#
# 8 ALA MB 8 ALA HA 2.80 (# 586:25 Unique 2.22, 2.63 A)
&rst
ixpk= 586, nxpk= 25, iat= -1, 105, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 107, 108, 109,
&end
#
# 60 ALA MB 60 ALA HA 4.50 (# 587:25 Unique 2.22, 2.63 A)
&rst
ixpk= 587, nxpk= 25, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 912, 913, 914,
&end
#
# 36 SER HN 36 SER HB+ 4.50 (# 594:25 Unique 2.53, 2.68 A)
&rst
ixpk= 594, nxpk= 25, iat= 527, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 531, 532,
&end
#
# 40 GLN HN 39 PRO HA 5.50 (# 597:25 Unique 3.39, 3.39 A)
&rst
ixpk= 597, nxpk= 25, iat= 571, 567, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 ASP HN 39 PRO HA 5.50 (# 598:25 Unique 3.51, 3.61 A)
&rst
ixpk= 598, nxpk= 25, iat= 588, 567, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 SER HN 33 SER HA 4.50 (# 599:25 Unique 2.81, 2.82 A)
&rst
ixpk= 599, nxpk= 25, iat= 476, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 SER HN 33 SER HB- 4.50 (# 600:25 Unique 2.07, 2.77 A)
&rst
ixpk= 600, nxpk= 25, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 480, 481,
&end
#
# 34 LEU HN 33 SER HB- 4.50 (# 602:25 Unique 3.21, 3.55 A)
&rst
ixpk= 602, nxpk= 25, iat= 487, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 480, 481,
&end
#
# 28 SER HN 0 AMB 25-1:603 3.50 (# 603:25 Single Ambig)
&rst
ixpk= 603, nxpk= 25, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 407, 408, 407, 408,
&end
#
# 29 GLU HN 0 AMB 25-1:604 4.50 (# 604:25 Single Ambig)
&rst
ixpk= 604, nxpk= 25, iat= 414, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 407, 408, 407, 408,
&end
#
# 0 AMB 25-2:605 56 ILE HA 4.50 (# 605:25 Single Ambig)
&rst
ixpk= 605, nxpk= 25, iat= -1, 843, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 860, 891,
&end
#
# 55 ARG HN 56 ILE HA 5.50 (# 606:25 Unique 4.79, 4.82 A)
&rst
ixpk= 606, nxpk= 25, iat= 817, 843, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 ILE HN 10 VAL HA 2.80 (# 608:25 Unique 2.17, 2.29 A)
&rst
ixpk= 608, nxpk= 25, iat= 143, 129, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:609 0 AMB 25-1:609 4.50 (# 609:25 Double Ambig)
&rst
ixpk= 609, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 127, 817,
igr2= 129, 819,
&end
#
# 0 AMB 25-2:611 28 SER HA 3.50 (# 611:25 Single Ambig)
&rst
ixpk= 611, nxpk= 25, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 403, 462,
&end
#
# 0 AMB 25-2:612 28 SER HA 5.50 (# 612:25 Single Ambig)
&rst
ixpk= 612, nxpk= 25, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 414, 429,
&end
#
# 48 HIS HN 48 HIS HA 4.50 (# 616:25 Unique 2.92, 2.92 A)
&rst
ixpk= 616, nxpk= 25, iat= 693, 695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 LEU HN 48 HIS HA 5.50 (# 617:25 Unique 3.44, 3.44 A)
&rst
ixpk= 617, nxpk= 25, iat= 710, 695, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 ILE HN 48 HIS HA 4.50 (# 618:25 Unique 2.89, 2.93 A)
&rst
ixpk= 618, nxpk= 25, iat= 748, 695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 CYS HN 17 LYS HA 4.50 (# 619:25 Unique 3.32, 3.52 A)
&rst
ixpk= 619, nxpk= 25, iat= 280, 229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 LYS HN 17 LYS HA 3.50 (# 620:25 Unique 2.85, 2.87 A)
&rst
ixpk= 620, nxpk= 25, iat= 227, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:621 0 AMB 25-1:621 3.50 (# 621:25 Double Ambig)
&rst
ixpk= 621, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 249, 291,
igr2= 251, 293,
&end
#
# 0 AMB 25-2:622 29 GLU HA 4.50 (# 622:25 Single Ambig)
&rst
ixpk= 622, nxpk= 25, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 462, 445,
&end
#
# 0 AMB 25-2:623 29 GLU HA 3.50 (# 623:25 Single Ambig)
&rst
ixpk= 623, nxpk= 25, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 414, 429,
&end
#
# 14 GLU HN 14 GLU HA 3.50 (# 624:25 Unique 2.77, 2.80 A)
&rst
ixpk= 624, nxpk= 25, iat= 186, 188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 LYS HN 14 GLU HA 5.50 (# 625:25 Unique 3.65, 3.85 A)
&rst
ixpk= 625, nxpk= 25, iat= 227, 188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 12 ASP HN 11 ILE HA 2.80 (# 626:25 Unique 2.14, 2.16 A)
&rst
ixpk= 626, nxpk= 25, iat= 162, 145, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 11 ILE HN 11 ILE HA 4.50 (# 628:25 Unique 2.85, 2.92 A)
&rst
ixpk= 628, nxpk= 25, iat= 143, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ALA HN 42 GLN HA 5.50 (# 629:25 Unique 3.96, 4.20 A)
&rst
ixpk= 629, nxpk= 25, iat= 662, 602, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 GLN HN 42 GLN HA 3.50 (# 630:25 Unique 2.75, 2.75 A)
&rst
ixpk= 630, nxpk= 25, iat= 600, 602, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 VAL HN 42 GLN HA 4.50 (# 631:25 Unique 3.84, 3.97 A)
&rst
ixpk= 631, nxpk= 25, iat= 646, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 LEU HN 42 GLN HA 5.50 (# 632:25 Unique 3.49, 3.50 A)
&rst
ixpk= 632, nxpk= 25, iat= 617, 602, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 LYS HN 22 LYS HA 3.50 (# 635:25 Unique 2.81, 2.85 A)
&rst
ixpk= 635, nxpk= 25, iat= 306, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 PHE HN 23 PHE HA 4.50 (# 636:25 Unique 2.85, 2.90 A)
&rst
ixpk= 636, nxpk= 25, iat= 328, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 GLU HN 23 PHE HA 4.50 (# 637:25 Unique 3.16, 3.28 A)
&rst
ixpk= 637, nxpk= 25, iat= 348, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 PHE HD 23 PHE HA 4.50 (# 638:25 Unique 2.18, 3.36 A)
&rst
ixpk= 638, nxpk= 25, iat= -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 336, 344,
&end
#
# 62 GLU HN 61 SER HA 5.50 (# 639:25 Unique 2.14, 2.18 A)
&rst
ixpk= 639, nxpk= 25, iat= 929, 920, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 ARG HN 54 ARG HA 3.50 (# 640:25 Unique 3.46, 3.49 A)
&rst
ixpk= 640, nxpk= 25, iat= 817, 795, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 ARG HN 54 ARG HA 3.50 (# 641:25 Unique 2.76, 2.78 A)
&rst
ixpk= 641, nxpk= 25, iat= 793, 795, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 TYR HN 35 TYR HA 4.50 (# 642:25 Unique 2.94, 2.94 A)
&rst
ixpk= 642, nxpk= 25, iat= 506, 508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 SER HN 35 TYR HA 5.50 (# 643:25 Unique 3.21, 3.21 A)
&rst
ixpk= 643, nxpk= 25, iat= 527, 508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 TYR HN 5 SER HA 4.50 (# 645:25 Unique 2.14, 2.32 A)
&rst
ixpk= 645, nxpk= 25, iat= 70, 61, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 ASP HN 49 LEU HA 5.50 (# 646:25 Unique 3.66, 3.70 A)
&rst
ixpk= 646, nxpk= 25, iat= 767, 712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 LEU HN 49 LEU HA 4.50 (# 647:25 Unique 2.79, 2.80 A)
&rst
ixpk= 647, nxpk= 25, iat= 710, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 ILE HN 49 LEU HA 5.50 (# 648:25 Unique 3.44, 3.44 A)
&rst
ixpk= 648, nxpk= 25, iat= 729, 712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 ASP HN 6 TYR HA 4.50 (# 649:25 Unique 2.16, 2.67 A)
&rst
ixpk= 649, nxpk= 25, iat= 91, 72, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:651 13 ASP HA 7.00 (# 651:25 Single Ambig)
&rst
ixpk= 651, nxpk= 25, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 201, 162,
&end
#
# 0 AMB 25-2:652 13 ASP HA 4.50 (# 652:25 Single Ambig)
&rst
ixpk= 652, nxpk= 25, iat= -1, 176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 211, 186,
&end
#
# 34 LEU HN 0 AMB 25-1:653 3.50 (# 653:25 Single Ambig)
&rst
ixpk= 653, nxpk= 25, iat= 487, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 489, 447,
&end
#
# 35 TYR HN 34 LEU HA 4.50 (# 654:25 Unique 3.50, 3.51 A)
&rst
ixpk= 654, nxpk= 25, iat= 506, 489, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:655 31 MET HA 3.50 (# 655:25 Single Ambig)
&rst
ixpk= 655, nxpk= 25, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 445, 462,
&end
#
# 13 ASP HN 13 ASP HA 4.50 (# 656:25 Unique 2.75, 2.76 A)
&rst
ixpk= 656, nxpk= 25, iat= 174, 176, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 LYS HN 13 ASP HA 5.50 (# 657:25 Unique 3.94, 4.14 A)
&rst
ixpk= 657, nxpk= 25, iat= 227, 176, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ASP HN 52 ASP HA 3.50 (# 659:25 Unique 2.86, 2.88 A)
&rst
ixpk= 659, nxpk= 25, iat= 767, 769, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 ASN HN 52 ASP HA 5.50 (# 660:25 Unique 3.49, 3.50 A)
&rst
ixpk= 660, nxpk= 25, iat= 779, 769, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 CYS HN 24 GLU HA 3.50 (# 661:25 Unique 2.73, 2.90 A)
&rst
ixpk= 661, nxpk= 25, iat= 363, 350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 GLU HN 24 GLU HA 7.00 (# 662:25 Unique 5.00, 5.07 A)
&rst
ixpk= 662, nxpk= 25, iat= 291, 350, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 24 GLU HN 24 GLU HA 2.80 (# 663:25 Unique 2.27, 2.28 A)
&rst
ixpk= 663, nxpk= 25, iat= 348, 350, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 57 MET HN 57 MET HA 4.50 (# 666:25 Unique 2.78, 2.88 A)
&rst
ixpk= 666, nxpk= 25, iat= 860, 862, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:667 0 AMB 25-1:667 3.50 (# 667:25 Double Ambig)
&rst
ixpk= 667, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 462, 908,
igr2= 464, 862,
&end
#
# 35 TYR HN 32 ASN HA 5.50 (# 668:25 Unique 3.42, 3.45 A)
&rst
ixpk= 668, nxpk= 25, iat= 506, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 SER HN 32 ASN HA 5.50 (# 669:25 Unique 3.51, 3.52 A)
&rst
ixpk= 669, nxpk= 25, iat= 476, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:670 59 GLN HA 5.50 (# 670:25 Single Ambig)
&rst
ixpk= 670, nxpk= 25, iat= -1, 893, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 908, 918,
&end
#
# 42 GLN HN 41 ASP HA 2.80 (# 671:25 Unique 2.24, 2.30 A)
&rst
ixpk= 671, nxpk= 25, iat= 600, 590, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 41 ASP HN 41 ASP HA 3.50 (# 672:25 Unique 2.76, 2.82 A)
&rst
ixpk= 672, nxpk= 25, iat= 588, 590, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 LEU HN 46 ALA HA 4.50 (# 673:25 Unique 3.10, 3.11 A)
&rst
ixpk= 673, nxpk= 25, iat= 710, 664, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 ALA HN 15 ALA HA 4.50 (# 674:25 Unique 2.84, 2.87 A)
&rst
ixpk= 674, nxpk= 25, iat= 201, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 VAL HN 15 ALA HA 5.50 (# 675:25 Unique 3.48, 3.53 A)
&rst
ixpk= 675, nxpk= 25, iat= 211, 203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 GLU HN 15 ALA HA 4.50 (# 676:25 Unique 3.09, 3.23 A)
&rst
ixpk= 676, nxpk= 25, iat= 249, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 TYR HN 46 ALA HA 5.50 (# 677:25 Unique 3.49, 3.49 A)
&rst
ixpk= 677, nxpk= 25, iat= 672, 664, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ALA HN 46 ALA HA 3.50 (# 678:25 Unique 2.74, 2.75 A)
&rst
ixpk= 678, nxpk= 25, iat= 662, 664, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 ARG HN 53 ASN HA 4.50 (# 679:25 Unique 3.42, 3.45 A)
&rst
ixpk= 679, nxpk= 25, iat= 793, 781, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 ASN HN 53 ASN HA 4.50 (# 680:25 Unique 2.77, 2.79 A)
&rst
ixpk= 680, nxpk= 25, iat= 779, 781, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 GLN HN 40 GLN HA 3.50 (# 681:25 Unique 2.90, 2.93 A)
&rst
ixpk= 681, nxpk= 25, iat= 571, 573, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 ASP HN 40 GLN HA 3.50 (# 682:25 Unique 3.03, 3.09 A)
&rst
ixpk= 682, nxpk= 25, iat= 588, 573, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 VAL HN 44 ALA HA 5.50 (# 683:25 Unique 3.41, 3.42 A)
&rst
ixpk= 683, nxpk= 25, iat= 646, 638, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:684 44 ALA HA 7.00 (# 684:25 Single Ambig)
&rst
ixpk= 684, nxpk= 25, iat= -1, 638, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 693, 462,
&end
#
# 47 TYR HN 44 ALA HA 5.50 (# 685:25 Unique 4.03, 4.04 A)
&rst
ixpk= 685, nxpk= 25, iat= 672, 638, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 ALA HN 44 ALA HA 4.50 (# 686:25 Unique 2.81, 2.82 A)
&rst
ixpk= 686, nxpk= 25, iat= 636, 638, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 8 ALA HN 7 ASP HA 3.50 (# 687:25 Unique 2.14, 2.43 A)
&rst
ixpk= 687, nxpk= 25, iat= 103, 93, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 ASP HN 7 ASP HA 4.50 (# 688:25 Unique 2.83, 2.92 A)
&rst
ixpk= 688, nxpk= 25, iat= 91, 93, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 9 ASN HN 8 ALA HA 5.50 (# 689:25 Unique 3.40, 3.48 A)
&rst
ixpk= 689, nxpk= 25, iat= 113, 105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 ALA HN 8 ALA HA 4.50 (# 690:25 Unique 2.85, 2.91 A)
&rst
ixpk= 690, nxpk= 25, iat= 103, 105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:691 60 ALA HA 5.50 (# 691:25 Single Ambig)
&rst
ixpk= 691, nxpk= 25, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 918, 908,
&end
#
# 11 ILE HG1+ 16 VAL HA 5.50 (# 694:25 Unique 7.17, 8.43 A)
&rst
ixpk= 694, nxpk= 25, iat= -1, 213, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 153, 154,
&end
#
# 19 VAL MGY 16 VAL HA 4.50 (# 695:25 Unique 2.00, 3.50 A)
&rst
ixpk= 695, nxpk= 25, iat= -1, 213, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 25-2:696 16 VAL HA 2.80 (# 696:25 Single Ambig)
&rst
ixpk= 696, nxpk= 25, iat= -1, 213, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 270, 271, 272, 274, 275, 276, 217, 218, 219, 221,
222, 223,
&end
#
# 16 VAL MGX 16 VAL HA 2.80 (# 697:25 Unique 2.28, 3.11 A)
&rst
ixpk= 697, nxpk= 25, iat= -1, 213, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 30 VAL MGX 16 VAL HA 3.50 (# 698:25 Unique 3.22, 4.71 A)
&rst
ixpk= 698, nxpk= 25, iat= -1, 213, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 34 LEU HB- 30 VAL HA 5.50 (# 699:25 Unique 7.14, 7.53 A)
&rst
ixpk= 699, nxpk= 25, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 491, 492,
&end
#
# 30 VAL HB 30 VAL HA 4.50 (# 701:25 Unique 3.02, 3.02 A)
&rst
ixpk= 701, nxpk= 25, iat= 433, 431, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 LEU HB+ 30 VAL HA 4.50 (# 702:25 Unique 2.07, 2.79 A)
&rst
ixpk= 702, nxpk= 25, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 621, 622,
&end
#
# 0 AMB 25-2:703 30 VAL HA 2.80 (# 703:25 Single Ambig)
&rst
ixpk= 703, nxpk= 25, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 621, 622, 435, 436, 437, 439, 440, 441,
&end
#
# 0 AMB 25-2:704 30 VAL HA 2.80 (# 704:25 Single Ambig)
&rst
ixpk= 704, nxpk= 25, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
440, 441,
&end
#
# 43 LEU MDY 30 VAL HA 5.50 (# 705:25 Unique 2.13, 3.87 A)
&rst
ixpk= 705, nxpk= 25, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 626, 627, 628, 630, 631, 632,
&end
#
# 54 ARG HD- 51 ILE HA 2.80 (# 706:25 Unique 2.06, 3.42 A)
&rst
ixpk= 706, nxpk= 25, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 803, 804,
&end
#
# 54 ARG HD+ 51 ILE HA 5.50 (# 707:25 Unique 2.06, 3.42 A)
&rst
ixpk= 707, nxpk= 25, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 803, 804,
&end
#
# 51 ILE HG1- 51 ILE HA 4.50 (# 708:25 Unique 2.66, 3.00 A)
&rst
ixpk= 708, nxpk= 25, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 758, 759,
&end
#
# 51 ILE HG1+ 51 ILE HA 4.50 (# 709:25 Unique 2.66, 3.00 A)
&rst
ixpk= 709, nxpk= 25, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 758, 759,
&end
#
# 51 ILE QG2 51 ILE HA 2.80 (# 710:25 Unique 2.24, 2.96 A)
&rst
ixpk= 710, nxpk= 25, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 754, 755, 756,
&end
#
# 51 ILE QD1 51 ILE HA 4.50 (# 711:25 Unique 4.41, 4.69 A)
&rst
ixpk= 711, nxpk= 25, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 761, 762, 763,
&end
#
# 27 GLU HB+ 27 GLU HA 2.80 (# 712:25 Unique 2.43, 2.74 A)
&rst
ixpk= 712, nxpk= 25, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 392, 393,
&end
#
# 27 GLU HB- 27 GLU HA 2.80 (# 713:25 Unique 2.43, 2.74 A)
&rst
ixpk= 713, nxpk= 25, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 392, 393,
&end
#
# 0 AMB 25-2:714 27 GLU HA 4.50 (# 714:25 Single Ambig)
&rst
ixpk= 714, nxpk= 25, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
440, 441,
&end
#
# 16 VAL MGX 27 GLU HA 3.50 (# 715:25 Unique 2.44, 4.50 A)
&rst
ixpk= 715, nxpk= 25, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 30 VAL MGX 27 GLU HA 5.50 (# 716:25 Unique 2.67, 4.58 A)
&rst
ixpk= 716, nxpk= 25, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 0 AMB 25-2:718 0 AMB 25-1:718 2.80 (# 718:25 Double Ambig)
&rst
ixpk= 718, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 803, 804, 797, 798,
igr2= 800, 801, 800, 801,
&end
#
# 54 ARG HD+ 54 ARG HG+ 4.50 (# 719:25 Unique 2.25, 2.67 A)
&rst
ixpk= 719, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 803, 804,
igr2= 800, 801,
&end
#
# 0 AMB 25-2:720 0 AMB 25-1:720 5.50 (# 720:25 Double Ambig)
&rst
ixpk= 720, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 754, 755, 756, 735, 736, 737,
igr2= 800, 801, 800, 801,
&end
#
# 0 AMB 25-2:721 54 ARG HG- 2.80 (# 721:25 Single Ambig)
&rst
ixpk= 721, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 803, 804, 797, 798,
igr2= 800, 801,
&end
#
# 54 ARG HD+ 54 ARG HG- 4.50 (# 722:25 Unique 2.25, 2.67 A)
&rst
ixpk= 722, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 803, 804,
igr2= 800, 801,
&end
#
# 0 AMB 25-2:723 54 ARG HG- 5.50 (# 723:25 Single Ambig)
&rst
ixpk= 723, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 754, 755, 756, 735, 736, 737,
igr2= 800, 801,
&end
#
# 15 ALA MB 12 ASP HB+ 3.50 (# 728:25 Unique 2.00, 3.73 A)
&rst
ixpk= 728, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 205, 206, 207,
igr2= 166, 167,
&end
#
# 51 ILE QG2 12 ASP HB+ 5.50 (# 729:25 Unique 4.71, 5.85 A)
&rst
ixpk= 729, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 754, 755, 756,
igr2= 166, 167,
&end
#
# 51 ILE QD1 12 ASP HB+ 3.50 (# 730:25 Unique 2.52, 3.51 A)
&rst
ixpk= 730, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 761, 762, 763,
igr2= 166, 167,
&end
#
# 44 ALA MB 0 AMB 25-1:731 3.50 (# 731:25 Single Ambig)
&rst
ixpk= 731, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 640, 641, 642,
igr2= 592, 593, 592, 593,
&end
#
# 0 AMB 25-2:732 17 LYS HE- 5.50 (# 732:25 Single Ambig)
&rst
ixpk= 732, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 231, 232, 231, 232,
igr2= 240, 241,
&end
#
# 17 LYS HG+ 17 LYS HE- 5.50 (# 734:25 Unique 2.19, 3.10 A)
&rst
ixpk= 734, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 234, 235,
igr2= 240, 241,
&end
#
# 17 LYS HG- 17 LYS HE- 5.50 (# 735:25 Unique 2.19, 3.10 A)
&rst
ixpk= 735, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 234, 235,
igr2= 240, 241,
&end
#
# 16 VAL MGY 0 AMB 25-1:741 5.50 (# 741:25 Single Ambig)
&rst
ixpk= 741, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 178, 179, 178, 179,
&end
#
# 10 VAL MGY 7 ASP HB+ 4.50 (# 742:25 Unique 2.16, 4.98 A)
&rst
ixpk= 742, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 133, 134, 135, 137, 138, 139,
igr2= 95, 96,
&end
#
# 14 GLU HB- 0 AMB 25-1:743 5.50 (# 743:25 Single Ambig)
&rst
ixpk= 743, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 190, 191,
igr2= 178, 179, 178, 179,
&end
#
# 11 ILE QG2 0 AMB 25-1:744 7.00 (# 744:25 Single Ambig)
&rst
ixpk= 744, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 149, 150, 151,
igr2= 178, 179, 178, 179,
&end
#
# 0 AMB 25-2:747 0 AMB 25-1:747 5.50 (# 747:25 Double Ambig)
&rst
ixpk= 747, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.35, r4=13.10,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725, 824, 825, 824, 825,
igr2= 771, 772, 771, 772, 771, 772, 771, 772,
&end
#
# 51 ILE HG1- 52 ASP HB- 7.00 (# 748:25 Unique 5.55, 6.59 A)
&rst
ixpk= 748, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 758, 759,
igr2= 771, 772,
&end
#
# 0 AMB 25-2:749 52 ASP HB- 7.00 (# 749:25 Single Ambig)
&rst
ixpk= 749, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.47, r4=13.22,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725, 824, 825, 824, 825,
igr2= 771, 772,
&end
#
# 0 AMB 25-2:750 0 AMB 25-1:750 5.50 (# 750:25 Double Ambig)
&rst
ixpk= 750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.35, r4=13.10,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725, 824, 825, 824, 825,
igr2= 771, 772, 771, 772, 771, 772, 771, 772,
&end
#
# 43 LEU MDY 23 PHE HB+ 4.50 (# 751:25 Unique 2.07, 4.22 A)
&rst
ixpk= 751, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 332, 333,
&end
#
# 0 AMB 25-2:752 0 AMB 25-1:752 5.50 (# 752:25 Double Ambig)
&rst
ixpk= 752, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.51, r4=12.26,
igr1= 435, 436, 437, 439, 440, 441, 270, 271, 272, 274,
275, 276, 621, 622,
igr2= 332, 333, 332, 333, 332, 333,
&end
#
# 0 AMB 25-2:753 23 PHE HB- 4.50 (# 753:25 Single Ambig)
&rst
ixpk= 753, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
igr1= 435, 436, 437, 439, 440, 441, 270, 271, 272, 274,
275, 276, 621, 622,
igr2= 332, 333,
&end
#
# 43 LEU MDX 23 PHE HB- 7.00 (# 754:25 Unique 2.07, 4.22 A)
&rst
ixpk= 754, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 332, 333,
&end
#
# 43 LEU MDY 23 PHE HB- 4.50 (# 755:25 Unique 2.07, 4.22 A)
&rst
ixpk= 755, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 332, 333,
&end
#
# 0 AMB 25-2:756 0 AMB 25-1:756 5.50 (# 756:25 Double Ambig)
&rst
ixpk= 756, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1= 133, 134, 135, 137, 138, 139, 824, 825,
igr2= 117, 118, 881, 882,
&end
#
# 19 VAL MGY 47 TYR HB+ 4.50 (# 757:25 Unique 2.97, 5.18 A)
&rst
ixpk= 757, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 270, 271, 272, 274, 275, 276,
igr2= 676, 677,
&end
#
# 0 AMB 25-2:758 0 AMB 25-1:758 5.50 (# 758:25 Double Ambig)
&rst
ixpk= 758, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 435, 436, 437, 439, 440, 441, 270, 271, 272, 274,
275, 276,
igr2= 676, 677, 676, 677,
&end
#
# 30 VAL MGX 47 TYR HB+ 5.50 (# 759:25 Unique 2.88, 5.31 A)
&rst
ixpk= 759, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 676, 677,
&end
#
# 34 LEU MDY 47 TYR HB+ 4.50 (# 760:25 Unique 3.43, 5.03 A)
&rst
ixpk= 760, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 676, 677,
&end
#
# 0 AMB 25-2:761 47 TYR HB- 5.50 (# 761:25 Single Ambig)
&rst
ixpk= 761, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 435, 436, 437, 439, 440, 441, 270, 271, 272, 274,
275, 276,
igr2= 676, 677,
&end
#
# 19 VAL MGY 47 TYR HB- 3.50 (# 762:25 Unique 2.97, 5.18 A)
&rst
ixpk= 762, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 270, 271, 272, 274, 275, 276,
igr2= 676, 677,
&end
#
# 0 AMB 25-2:763 47 TYR HB- 5.50 (# 763:25 Single Ambig)
&rst
ixpk= 763, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 435, 436, 437, 439, 440, 441, 270, 271, 272, 274,
275, 276,
igr2= 676, 677,
&end
#
# 34 LEU MDY 47 TYR HB- 4.50 (# 764:25 Unique 3.43, 5.03 A)
&rst
ixpk= 764, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 676, 677,
&end
#
# 30 VAL MGX 47 TYR HB- 5.50 (# 765:25 Unique 2.88, 5.31 A)
&rst
ixpk= 765, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 676, 677,
&end
#
# 31 MET HB+ 31 MET HG+ 2.80 (# 767:25 Unique 2.22, 2.70 A)
&rst
ixpk= 767, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 449, 450,
igr2= 452, 453,
&end
#
# 31 MET HB- 31 MET HG+ 3.50 (# 768:25 Unique 2.22, 2.70 A)
&rst
ixpk= 768, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 449, 450,
igr2= 452, 453,
&end
#
# 0 AMB 25-2:769 0 AMB 25-1:769 7.00 (# 769:25 Double Ambig)
&rst
ixpk= 769, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
440, 441,
igr2= 452, 453, 452, 453,
&end
#
# 43 LEU MDY 25 CYS HB+ 5.50 (# 770:25 Unique 2.36, 4.42 A)
&rst
ixpk= 770, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 367, 368,
&end
#
# 29 GLU HB- 25 CYS HB+ 5.50 (# 771:25 Unique 2.18, 3.54 A)
&rst
ixpk= 771, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 418, 419,
igr2= 367, 368,
&end
#
# 26 THR MG2 25 CYS HB+ 7.00 (# 773:25 Unique 4.03, 5.92 A)
&rst
ixpk= 773, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 380, 381, 382,
igr2= 367, 368,
&end
#
# 30 VAL MGY 25 CYS HB+ 7.00 (# 774:25 Unique 3.14, 6.20 A)
&rst
ixpk= 774, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 367, 368,
&end
#
# 0 AMB 25-2:775 0 AMB 25-1:775 5.50 (# 775:25 Double Ambig)
&rst
ixpk= 775, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
440, 441,
igr2= 367, 368, 367, 368,
&end
#
# 25 CYS HB+ 25 CYS HA 2.80 (# 776:25 Unique 2.40, 2.68 A)
&rst
ixpk= 776, nxpk= 25, iat= -1, 365, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 367, 368,
&end
#
# 25 CYS HB- 25 CYS HA 2.80 (# 777:25 Unique 2.40, 2.68 A)
&rst
ixpk= 777, nxpk= 25, iat= -1, 365, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 367, 368,
&end
#
# 26 THR MG2 25 CYS HA 5.50 (# 778:25 Unique 3.56, 4.62 A)
&rst
ixpk= 778, nxpk= 25, iat= -1, 365, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 380, 381, 382,
&end
#
# 26 THR HN 25 CYS HA 3.50 (# 779:25 Unique 2.51, 2.60 A)
&rst
ixpk= 779, nxpk= 25, iat= 374, 365, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 CYS HN 25 CYS HA 4.50 (# 780:25 Unique 2.94, 2.94 A)
&rst
ixpk= 780, nxpk= 25, iat= 363, 365, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:781 0 AMB 25-1:781 3.50 (# 781:25 Double Ambig)
&rst
ixpk= 781, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725,
igr2= 714, 715, 714, 715,
&end
#
# 0 AMB 25-2:782 49 LEU HB- 3.50 (# 782:25 Single Ambig)
&rst
ixpk= 782, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725,
igr2= 714, 715,
&end
#
# 34 LEU HG 34 LEU HB+ 3.50 (# 783:25 Unique 2.41, 2.73 A)
&rst
ixpk= 783, nxpk= 25, iat= 494, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 491, 492,
&end
#
# 34 LEU MDY 34 LEU HB+ 4.50 (# 785:25 Unique 2.33, 3.29 A)
&rst
ixpk= 785, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 491, 492,
&end
#
# 34 LEU MDX 34 LEU HB+ 3.50 (# 786:25 Unique 2.33, 3.29 A)
&rst
ixpk= 786, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 491, 492,
&end
#
# 43 LEU MDY 43 LEU HB+ 4.50 (# 788:25 Unique 2.28, 3.28 A)
&rst
ixpk= 788, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 621, 622,
&end
#
# 0 AMB 25-2:790 0 AMB 25-1:790 3.50 (# 790:25 Double Ambig)
&rst
ixpk= 790, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
440, 441,
igr2= 621, 622, 621, 622,
&end
#
# 56 ILE HG1+ 56 ILE HB 4.50 (# 792:25 Unique 2.43, 2.62 A)
&rst
ixpk= 792, nxpk= 25, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 851, 852,
&end
#
# 56 ILE QG2 56 ILE HB 2.80 (# 793:25 Unique 2.22, 2.63 A)
&rst
ixpk= 793, nxpk= 25, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 847, 848, 849,
&end
#
# 0 AMB 25-2:794 50 ILE HB 5.50 (# 794:25 Single Ambig)
&rst
ixpk= 794, nxpk= 25, iat= -1, 733, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 758, 759, 270, 271, 272, 274, 275, 276,
&end
#
# 50 ILE HG1+ 50 ILE HB 4.50 (# 795:25 Unique 2.60, 2.83 A)
&rst
ixpk= 795, nxpk= 25, iat= -1, 733, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 739, 740,
&end
#
# 50 ILE QD1 50 ILE HB 3.50 (# 796:25 Unique 2.10, 2.92 A)
&rst
ixpk= 796, nxpk= 25, iat= -1, 733, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 742, 743, 744,
&end
#
# 50 ILE QG2 50 ILE HB 2.80 (# 797:25 Unique 2.22, 2.63 A)
&rst
ixpk= 797, nxpk= 25, iat= -1, 733, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 735, 736, 737,
&end
#
# 11 ILE HG1+ 11 ILE HB 3.50 (# 799:25 Unique 2.43, 2.62 A)
&rst
ixpk= 799, nxpk= 25, iat= -1, 147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 153, 154,
&end
#
# 11 ILE QG2 11 ILE HB 2.80 (# 800:25 Unique 2.22, 2.63 A)
&rst
ixpk= 800, nxpk= 25, iat= -1, 147, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 149, 150, 151,
&end
#
# 51 ILE HG1- 51 ILE HB 3.50 (# 801:25 Unique 2.43, 2.73 A)
&rst
ixpk= 801, nxpk= 25, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 758, 759,
&end
#
# 51 ILE HG1+ 51 ILE HB 4.50 (# 802:25 Unique 2.43, 2.73 A)
&rst
ixpk= 802, nxpk= 25, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 758, 759,
&end
#
# 51 ILE QG2 51 ILE HB 2.80 (# 803:25 Unique 2.22, 2.63 A)
&rst
ixpk= 803, nxpk= 25, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 754, 755, 756,
&end
#
# 51 ILE QD1 51 ILE HB 4.50 (# 804:25 Unique 2.47, 3.19 A)
&rst
ixpk= 804, nxpk= 25, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 761, 762, 763,
&end
#
# 0 AMB 25-2:806 0 AMB 25-1:806 4.50 (# 806:25 Double Ambig)
&rst
ixpk= 806, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 742, 743, 744, 758, 759,
igr2= 256, 257, 298, 299, 256, 257,
&end
#
# 43 LEU MDY 42 GLN HG- 5.50 (# 807:25 Unique 2.88, 4.86 A)
&rst
ixpk= 807, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 607, 608,
&end
#
# 22 LYS HG+ 22 LYS HB+ 4.50 (# 808:25 Unique 2.26, 2.64 A)
&rst
ixpk= 808, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 313, 314,
igr2= 310, 311,
&end
#
# 22 LYS HG+ 22 LYS HB- 4.50 (# 809:25 Unique 2.26, 2.64 A)
&rst
ixpk= 809, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 313, 314,
igr2= 310, 311,
&end
#
# 22 LYS HG- 22 LYS HB- 4.50 (# 810:25 Unique 2.26, 2.64 A)
&rst
ixpk= 810, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 313, 314,
igr2= 310, 311,
&end
#
# 0 AMB 25-2:812 0 AMB 25-1:812 2.80 (# 812:25 Double Ambig)
&rst
ixpk= 812, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
igr1= 824, 825, 824, 825, 824, 825, 133, 134, 135, 137,
138, 139,
igr2= 821, 822, 821, 822, 821, 822, 131,
&end
#
# 45 VAL MGY 45 VAL HB 2.80 (# 813:25 Unique 2.22, 2.63 A)
&rst
ixpk= 813, nxpk= 25, iat= -1, 650, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 0 AMB 25-2:815 30 VAL HB 2.80 (# 815:25 Single Ambig)
&rst
ixpk= 815, nxpk= 25, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
222, 223,
&end
#
# 16 VAL MGX 30 VAL HB 5.50 (# 816:25 Unique 2.68, 4.71 A)
&rst
ixpk= 816, nxpk= 25, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 30 VAL MGX 30 VAL HB 2.80 (# 817:25 Unique 2.22, 2.63 A)
&rst
ixpk= 817, nxpk= 25, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 30 VAL MGX 31 MET HB+ 5.50 (# 818:25 Unique 4.22, 6.54 A)
&rst
ixpk= 818, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 449, 450,
&end
#
# 50 ILE QD1 18 GLU HB+ 5.50 (# 819:25 Unique 2.00, 2.87 A)
&rst
ixpk= 819, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 742, 743, 744,
igr2= 253, 254,
&end
#
# 19 VAL MGY 18 GLU HB- 7.00 (# 820:25 Unique 3.35, 5.32 A)
&rst
ixpk= 820, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 270, 271, 272, 274, 275, 276,
igr2= 253, 254,
&end
#
# 50 ILE QD1 18 GLU HB- 4.50 (# 821:25 Unique 2.00, 2.87 A)
&rst
ixpk= 821, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 742, 743, 744,
igr2= 253, 254,
&end
#
# 50 ILE QG2 18 GLU HB- 5.50 (# 822:25 Unique 2.00, 3.20 A)
&rst
ixpk= 822, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 735, 736, 737,
igr2= 253, 254,
&end
#
# 0 AMB 25-2:824 0 AMB 25-1:824 5.50 (# 824:25 Double Ambig)
&rst
ixpk= 824, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
222, 223,
igr2= 418, 419, 237, 238,
&end
#
# 0 AMB 25-2:825 29 GLU HB- 3.50 (# 825:25 Single Ambig)
&rst
ixpk= 825, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
440, 441,
igr2= 418, 419,
&end
#
# 50 ILE QG2 50 ILE HG1- 4.50 (# 826:25 Unique 2.10, 3.34 A)
&rst
ixpk= 826, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 735, 736, 737,
igr2= 739, 740,
&end
#
# 50 ILE QG2 18 GLU HB+ 5.50 (# 827:25 Unique 2.00, 3.20 A)
&rst
ixpk= 827, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 735, 736, 737,
igr2= 253, 254,
&end
#
# 50 ILE QD1 50 ILE HG1- 2.80 (# 829:25 Unique 2.21, 2.62 A)
&rst
ixpk= 829, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 742, 743, 744,
igr2= 739, 740,
&end
#
# 0 AMB 25-2:830 0 AMB 25-1:830 5.50 (# 830:25 Double Ambig)
&rst
ixpk= 830, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 435, 436, 437, 439, 440, 441, 735, 736, 737,
igr2= 392, 393, 190, 191,
&end
#
# 16 VAL MGX 27 GLU HB- 4.50 (# 831:25 Unique 2.00, 4.63 A)
&rst
ixpk= 831, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 392, 393,
&end
#
# 16 VAL MGX 27 GLU HB+ 5.50 (# 832:25 Unique 2.00, 4.63 A)
&rst
ixpk= 832, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 392, 393,
&end
#
# 0 AMB 25-2:833 0 AMB 25-1:833 7.00 (# 833:25 Double Ambig)
&rst
ixpk= 833, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
igr1= 652, 653, 654, 656, 657, 658, 435, 436, 437, 439,
440, 441,
igr2= 575, 576, 392, 393,
&end
#
# 22 LYS HG+ 22 LYS HD- 2.80 (# 834:25 Unique 2.24, 2.69 A)
&rst
ixpk= 834, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 313, 314,
igr2= 316, 317,
&end
#
# 22 LYS HG- 22 LYS HD- 4.50 (# 835:25 Unique 2.24, 2.69 A)
&rst
ixpk= 835, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 313, 314,
igr2= 316, 317,
&end
#
# 43 LEU MDY 0 AMB 25-1:836 5.50 (# 836:25 Single Ambig)
&rst
ixpk= 836, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 604, 605, 604, 605,
&end
#
# 0 AMB 25-2:837 0 AMB 25-1:837 5.50 (# 837:25 Double Ambig)
&rst
ixpk= 837, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1= 652, 653, 654, 656, 657, 658, 313, 314,
igr2= 604, 605, 604, 605,
&end
#
# 0 AMB 25-2:839 56 ILE HG1- 3.50 (# 839:25 Single Ambig)
&rst
ixpk= 839, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 854, 855, 856, 847, 848, 849,
igr2= 851, 852,
&end
#
# 0 AMB 25-2:841 49 LEU HG 2.80 (# 841:25 Single Ambig)
&rst
ixpk= 841, nxpk= 25, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725,
&end
#
# 43 LEU HB- 43 LEU HG 4.50 (# 842:25 Unique 2.39, 2.73 A)
&rst
ixpk= 842, nxpk= 25, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 621, 622,
&end
#
# 43 LEU MDX 43 LEU HG 2.80 (# 843:25 Unique 2.22, 2.63 A)
&rst
ixpk= 843, nxpk= 25, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 626, 627, 628, 630, 631, 632,
&end
#
# 43 LEU MDY 43 LEU HG 2.80 (# 844:25 Unique 2.22, 2.63 A)
&rst
ixpk= 844, nxpk= 25, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 626, 627, 628, 630, 631, 632,
&end
#
# 19 VAL MGY 46 ALA MB 3.50 (# 847:25 Unique 2.00, 4.88 A)
&rst
ixpk= 847, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 270, 271, 272, 274, 275, 276,
igr2= 666, 667, 668,
&end
#
# 19 VAL MGX 46 ALA MB 4.50 (# 848:25 Unique 2.00, 4.88 A)
&rst
ixpk= 848, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 270, 271, 272, 274, 275, 276,
igr2= 666, 667, 668,
&end
#
# 0 AMB 25-2:849 46 ALA MB 5.50 (# 849:25 Single Ambig)
&rst
ixpk= 849, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 652, 653, 654, 656, 657, 658, 719, 720, 721, 723,
724, 725, 719, 720, 721, 723, 724, 725,
igr2= 666, 667, 668,
&end
#
# 50 ILE QD1 46 ALA MB 5.50 (# 850:25 Unique 2.41, 4.51 A)
&rst
ixpk= 850, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 742, 743, 744,
igr2= 666, 667, 668,
&end
#
# 43 LEU MDY 46 ALA MB 5.50 (# 851:25 Unique 3.74, 6.55 A)
&rst
ixpk= 851, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 666, 667, 668,
&end
#
# 34 LEU MDX 46 ALA MB 5.50 (# 852:25 Unique 7.10, 9.74 A)
&rst
ixpk= 852, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 666, 667, 668,
&end
#
# 30 VAL MGY 34 LEU MDY 5.50 (# 853:25 Unique 3.20, 6.75 A)
&rst
ixpk= 853, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 34 LEU HB+ 34 LEU MDY 4.50 (# 854:25 Unique 2.33, 3.29 A)
&rst
ixpk= 854, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 491, 492,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 25-2:855 34 LEU MDY 2.80 (# 855:25 Single Ambig)
&rst
ixpk= 855, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 640, 641, 642, 494,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 34 LEU HB- 34 LEU MDY 3.50 (# 856:25 Unique 2.33, 3.29 A)
&rst
ixpk= 856, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 491, 492,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 25-2:857 34 LEU MDY 4.50 (# 857:25 Single Ambig)
&rst
ixpk= 857, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1= 435, 436, 437, 439, 440, 441, 149, 150, 151,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 11 ILE QD1 34 LEU MDY 5.50 (# 858:25 Unique 2.39, 6.02 A)
&rst
ixpk= 858, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 156, 157, 158,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 25-2:859 43 LEU MDY 5.50 (# 859:25 Single Ambig)
&rst
ixpk= 859, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 604, 605, 604, 605,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 0 AMB 25-2:860 43 LEU MDY 4.50 (# 860:25 Single Ambig)
&rst
ixpk= 860, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 621, 622, 418, 419,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 46 ALA MB 43 LEU MDY 5.50 (# 861:25 Unique 3.74, 6.55 A)
&rst
ixpk= 861, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 666, 667, 668,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 43 LEU HG 43 LEU MDY 3.50 (# 862:25 Unique 2.22, 2.63 A)
&rst
ixpk= 862, nxpk= 25, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 44 ALA MB 43 LEU MDY 7.00 (# 863:25 Unique 6.25, 8.12 A)
&rst
ixpk= 863, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1= 640, 641, 642,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 19 VAL MGY 43 LEU MDY 5.50 (# 864:25 Unique 4.50, 7.08 A)
&rst
ixpk= 864, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 270, 271, 272, 274, 275, 276,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 0 AMB 25-2:865 43 LEU MDY 3.50 (# 865:25 Single Ambig)
&rst
ixpk= 865, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 435, 436, 437, 439, 440, 441, 621, 622,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 50 ILE QD1 43 LEU MDY 7.00 (# 867:25 Unique 6.64, 9.42 A)
&rst
ixpk= 867, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1= 742, 743, 744,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 51 ILE HB 51 ILE QD1 4.50 (# 871:25 Unique 2.47, 3.19 A)
&rst
ixpk= 871, nxpk= 25, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 761, 762, 763,
&end
#
# 15 ALA MB 51 ILE QD1 3.50 (# 872:25 Unique 2.00, 3.22 A)
&rst
ixpk= 872, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 205, 206, 207,
igr2= 761, 762, 763,
&end
#
# 51 ILE HG1- 51 ILE QD1 3.50 (# 873:25 Unique 2.21, 2.62 A)
&rst
ixpk= 873, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 758, 759,
igr2= 761, 762, 763,
&end
#
# 0 AMB 25-2:874 51 ILE QD1 5.50 (# 874:25 Single Ambig)
&rst
ixpk= 874, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 217, 218, 219, 221, 222, 223, 270, 271, 272, 274,
275, 276,
igr2= 761, 762, 763,
&end
#
# 51 ILE HG1+ 51 ILE QD1 3.50 (# 875:25 Unique 2.21, 2.62 A)
&rst
ixpk= 875, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 758, 759,
igr2= 761, 762, 763,
&end
#
# 51 ILE QG2 51 ILE QD1 2.80 (# 876:25 Unique 2.06, 3.56 A)
&rst
ixpk= 876, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 754, 755, 756,
igr2= 761, 762, 763,
&end
#
# 11 ILE QG2 51 ILE QD1 5.50 (# 877:25 Unique 6.04, 8.08 A)
&rst
ixpk= 877, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 149, 150, 151,
igr2= 761, 762, 763,
&end
#
# 45 VAL MGY 39 PRO HA 5.50 (# 885:25 Unique 4.73, 7.41 A)
&rst
ixpk= 885, nxpk= 25, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 0 AMB 25-2:886 39 PRO HA 7.00 (# 886:25 Single Ambig)
&rst
ixpk= 886, nxpk= 25, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 545, 538,
&end
#
# 54 ARG HG- 51 ILE HA 5.50 (# 887:25 Unique 2.12, 3.81 A)
&rst
ixpk= 887, nxpk= 25, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 800, 801,
&end
#
# 54 ARG HN 51 ILE HA 5.50 (# 888:25 Unique 3.67, 3.87 A)
&rst
ixpk= 888, nxpk= 25, iat= 793, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 LEU HN 43 LEU HA 4.50 (# 889:25 Unique 2.88, 2.91 A)
&rst
ixpk= 889, nxpk= 25, iat= 617, 619, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ALA HN 43 LEU HA 5.50 (# 890:25 Unique 3.39, 3.41 A)
&rst
ixpk= 890, nxpk= 25, iat= 662, 619, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 LEU HB+ 43 LEU HA 4.50 (# 891:25 Unique 2.45, 2.76 A)
&rst
ixpk= 891, nxpk= 25, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 621, 622,
&end
#
# 46 ALA MB 43 LEU HA 3.50 (# 892:25 Unique 2.77, 3.66 A)
&rst
ixpk= 892, nxpk= 25, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 666, 667, 668,
&end
#
# 43 LEU HG 43 LEU HA 4.50 (# 893:25 Unique 3.02, 3.07 A)
&rst
ixpk= 893, nxpk= 25, iat= 624, 619, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 LEU HB- 43 LEU HA 2.80 (# 894:25 Unique 2.45, 2.76 A)
&rst
ixpk= 894, nxpk= 25, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 621, 622,
&end
#
# 43 LEU MDX 43 LEU HA 5.50 (# 895:25 Unique 2.00, 3.75 A)
&rst
ixpk= 895, nxpk= 25, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 626, 627, 628, 630, 631, 632,
&end
#
# 43 LEU MDY 43 LEU HA 2.80 (# 896:25 Unique 2.00, 3.75 A)
&rst
ixpk= 896, nxpk= 25, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 626, 627, 628, 630, 631, 632,
&end
#
# 47 TYR HD 44 ALA HA 5.50 (# 897:25 Unique 4.98, 5.67 A)
&rst
ixpk= 897, nxpk= 25, iat= -1, 638, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 680, 689,
&end
#
# 38 ASP HN 38 ASP HA 4.50 (# 907:25 Unique 2.93, 2.93 A)
&rst
ixpk= 907, nxpk= 25, iat= 545, 547, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 ASP HB- 38 ASP HA 4.50 (# 910:25 Unique 2.76, 2.85 A)
&rst
ixpk= 910, nxpk= 25, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 549, 550,
&end
#
# 38 ASP HB+ 38 ASP HA 3.50 (# 911:25 Unique 2.76, 2.85 A)
&rst
ixpk= 911, nxpk= 25, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 549, 550,
&end
#
# 0 AMB 25-2:912 38 ASP HA 5.50 (# 912:25 Single Ambig)
&rst
ixpk= 912, nxpk= 25, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 561, 562, 575, 576,
&end
#
# 51 ILE HA 54 ARG HG+ 5.50 (# 914:25 Unique 2.12, 3.81 A)
&rst
ixpk= 914, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 800, 801,
&end
#
# 54 ARG HA 54 ARG HG+ 5.50 (# 915:25 Unique 2.19, 3.18 A)
&rst
ixpk= 915, nxpk= 25, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 800, 801,
&end
#
# 54 ARG HA 54 ARG HG- 5.50 (# 916:25 Unique 2.19, 3.18 A)
&rst
ixpk= 916, nxpk= 25, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 800, 801,
&end
#
# 34 LEU HG 34 LEU HB- 4.50 (# 919:25 Unique 2.41, 2.73 A)
&rst
ixpk= 919, nxpk= 25, iat= 494, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 491, 492,
&end
#
# 34 LEU MDY 34 LEU HB- 4.50 (# 920:25 Unique 2.33, 3.29 A)
&rst
ixpk= 920, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 491, 492,
&end
#
# 34 LEU MDX 34 LEU HB- 4.50 (# 921:25 Unique 2.33, 3.29 A)
&rst
ixpk= 921, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 491, 492,
&end
#
# 0 AMB 25-2:922 43 LEU HB- 4.50 (# 922:25 Single Ambig)
&rst
ixpk= 922, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 604, 605, 604, 605,
igr2= 621, 622,
&end
#
# 43 LEU HG 43 LEU HB- 4.50 (# 924:25 Unique 2.39, 2.73 A)
&rst
ixpk= 924, nxpk= 25, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 621, 622,
&end
#
# 0 AMB 25-2:925 43 LEU HB- 3.50 (# 925:25 Single Ambig)
&rst
ixpk= 925, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
440, 441,
igr2= 621, 622,
&end
#
# 43 LEU MDY 43 LEU HB- 4.50 (# 926:25 Unique 2.28, 3.28 A)
&rst
ixpk= 926, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 621, 622,
&end
#
# 33 SER HB- 43 LEU HB- 5.50 (# 927:25 Unique 2.62, 3.22 A)
&rst
ixpk= 927, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 480, 481,
igr2= 621, 622,
&end
#
# 44 ALA HN 43 LEU HB- 5.50 (# 928:25 Unique 2.51, 3.12 A)
&rst
ixpk= 928, nxpk= 25, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 621, 622,
&end
#
# 43 LEU HG 43 LEU HB+ 3.50 (# 929:25 Unique 2.39, 2.73 A)
&rst
ixpk= 929, nxpk= 25, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 621, 622,
&end
#
# 30 VAL HA 43 LEU HB+ 5.50 (# 930:25 Unique 2.07, 2.79 A)
&rst
ixpk= 930, nxpk= 25, iat= 431, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 621, 622,
&end
#
# 33 SER HB- 43 LEU HB+ 5.50 (# 931:25 Unique 2.62, 3.22 A)
&rst
ixpk= 931, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 480, 481,
igr2= 621, 622,
&end
#
# 56 ILE HG1- 56 ILE HB 4.50 (# 932:25 Unique 2.43, 2.62 A)
&rst
ixpk= 932, nxpk= 25, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 851, 852,
&end
#
# 57 MET HN 56 ILE HB 5.50 (# 933:25 Unique 2.72, 2.93 A)
&rst
ixpk= 933, nxpk= 25, iat= 860, 845, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 THR HN 0 AMB 25-1:934 5.50 (# 934:25 Single Ambig)
&rst
ixpk= 934, nxpk= 25, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 421, 422, 421, 422,
&end
#
# 0 AMB 25-2:935 0 AMB 25-1:935 5.50 (# 935:25 Double Ambig)
&rst
ixpk= 935, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 407, 408, 407, 408, 407, 408,
igr2= 421, 422, 421, 422, 421, 422,
&end
#
# 0 AMB 25-2:936 0 AMB 25-1:936 5.50 (# 936:25 Double Ambig)
&rst
ixpk= 936, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 367, 368, 367, 368,
igr2= 421, 422, 421, 422,
&end
#
# 26 THR MG2 0 AMB 25-1:937 5.50 (# 937:25 Single Ambig)
&rst
ixpk= 937, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 380, 381, 382,
igr2= 421, 422, 421, 422,
&end
#
# 30 VAL MGY 0 AMB 25-1:938 5.50 (# 938:25 Single Ambig)
&rst
ixpk= 938, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 421, 422, 421, 422,
&end
#
# 0 AMB 25-2:939 0 AMB 25-1:939 5.50 (# 939:25 Double Ambig)
&rst
ixpk= 939, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
440, 441,
igr2= 421, 422, 421, 422, 421, 422,
&end
#
# 12 ASP HN 11 ILE HB 5.50 (# 940:25 Unique 3.93, 4.11 A)
&rst
ixpk= 940, nxpk= 25, iat= 162, 147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:942 0 AMB 25-1:942 7.00 (# 942:25 Double Ambig)
&rst
ixpk= 942, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 752, 845,
igr2= 771, 772, 771, 772,
&end
#
# 19 VAL HB 30 VAL MGX 4.50 (# 943:25 Unique 2.20, 3.65 A)
&rst
ixpk= 943, nxpk= 25, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 30 VAL HB 30 VAL MGX 2.80 (# 944:25 Unique 2.22, 2.63 A)
&rst
ixpk= 944, nxpk= 25, iat= 433, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 0 AMB 25-2:945 0 AMB 25-1:945 5.50 (# 945:25 Double Ambig)
&rst
ixpk= 945, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 650, 621, 622,
igr2= 652, 653, 654, 656, 657, 658, 435, 436, 437, 439,
440, 441,
&end
#
# 34 LEU MDY 30 VAL MGX 5.50 (# 946:25 Unique 3.20, 6.75 A)
&rst
ixpk= 946, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 34 LEU MDX 30 VAL MGX 3.50 (# 947:25 Unique 3.20, 6.75 A)
&rst
ixpk= 947, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 0 AMB 25-2:948 43 LEU MDX 4.50 (# 948:25 Single Ambig)
&rst
ixpk= 948, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 418, 419, 607, 608,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 0 AMB 25-2:949 43 LEU MDX 2.80 (# 949:25 Single Ambig)
&rst
ixpk= 949, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 621, 622, 418, 419,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 12 ASP HN 11 ILE QD1 7.00 (# 951:25 Unique 3.74, 5.60 A)
&rst
ixpk= 951, nxpk= 25, iat= 162, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 156, 157, 158,
&end
#
# 11 ILE HN 11 ILE QD1 5.50 (# 952:25 Unique 2.24, 4.29 A)
&rst
ixpk= 952, nxpk= 25, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 156, 157, 158,
&end
#
# 11 ILE HB 11 ILE QD1 4.50 (# 954:25 Unique 2.23, 3.49 A)
&rst
ixpk= 954, nxpk= 25, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 156, 157, 158,
&end
#
# 11 ILE HG1- 11 ILE QD1 3.50 (# 955:25 Unique 2.20, 2.62 A)
&rst
ixpk= 955, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 153, 154,
igr2= 156, 157, 158,
&end
#
# 11 ILE HG1+ 11 ILE QD1 3.50 (# 956:25 Unique 2.20, 2.62 A)
&rst
ixpk= 956, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 153, 154,
igr2= 156, 157, 158,
&end
#
# 34 LEU MDX 11 ILE QD1 4.50 (# 957:25 Unique 2.39, 6.02 A)
&rst
ixpk= 957, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 156, 157, 158,
&end
#
# 31 MET HA 11 ILE QD1 7.00 (# 958:25 Unique 3.35, 4.78 A)
&rst
ixpk= 958, nxpk= 25, iat= 447, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 156, 157, 158,
&end
#
# 31 MET HG- 11 ILE QD1 7.00 (# 959:25 Unique 3.53, 5.71 A)
&rst
ixpk= 959, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 452, 453,
igr2= 156, 157, 158,
&end
#
# 47 TYR HD 51 ILE QD1 5.50 (# 961:25 Unique 4.21, 5.40 A)
&rst
ixpk= 961, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 680, 689,
igr2= 761, 762, 763,
&end
#
# 0 AMB 25-2:962 50 ILE QG2 5.50 (# 962:25 Single Ambig)
&rst
ixpk= 962, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 253, 254, 256, 257,
igr2= 735, 736, 737,
&end
#
# 50 ILE HB 15 ALA MB 5.50 (# 963:25 Unique 2.92, 4.21 A)
&rst
ixpk= 963, nxpk= 25, iat= 733, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 205, 206, 207,
&end
#
# 0 AMB 25-2:964 15 ALA MB 4.50 (# 964:25 Single Ambig)
&rst
ixpk= 964, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 217, 218, 219, 221, 222, 223, 270, 271, 272, 274,
275, 276,
igr2= 205, 206, 207,
&end
#
# 51 ILE HG1+ 15 ALA MB 4.50 (# 965:25 Unique 2.08, 3.07 A)
&rst
ixpk= 965, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 758, 759,
igr2= 205, 206, 207,
&end
#
# 0 AMB 25-2:966 15 ALA MB 3.50 (# 966:25 Single Ambig)
&rst
ixpk= 966, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 735, 736, 737, 754, 755, 756,
igr2= 205, 206, 207,
&end
#
# 51 ILE QD1 15 ALA MB 4.50 (# 967:25 Unique 2.00, 3.22 A)
&rst
ixpk= 967, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 761, 762, 763,
igr2= 205, 206, 207,
&end
#
# 0 AMB 25-2:968 15 ALA MB 7.00 (# 968:25 Single Ambig)
&rst
ixpk= 968, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 253, 254, 256, 257,
igr2= 205, 206, 207,
&end
#
# 11 ILE HA 15 ALA MB 5.50 (# 969:25 Unique 5.94, 6.79 A)
&rst
ixpk= 969, nxpk= 25, iat= 145, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 205, 206, 207,
&end
#
# 13 ASP HA 15 ALA MB 7.00 (# 970:25 Unique 5.56, 6.38 A)
&rst
ixpk= 970, nxpk= 25, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 205, 206, 207,
&end
#
# 51 ILE HN 15 ALA MB 7.00 (# 972:25 Unique 3.66, 4.78 A)
&rst
ixpk= 972, nxpk= 25, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 205, 206, 207,
&end
#
# 17 LYS HN 15 ALA MB 7.00 (# 973:25 Unique 4.78, 5.29 A)
&rst
ixpk= 973, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 205, 206, 207,
&end
#
# 43 LEU HG 43 LEU MDX 3.50 (# 974:25 Unique 2.22, 2.63 A)
&rst
ixpk= 974, nxpk= 25, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 17 LYS HN 17 LYS HG- 5.50 (# 975:25 Unique 2.45, 3.40 A)
&rst
ixpk= 975, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 234, 235,
&end
#
# 17 LYS HE- 17 LYS HG- 5.50 (# 976:25 Unique 2.19, 3.10 A)
&rst
ixpk= 976, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 240, 241,
igr2= 234, 235,
&end
#
# 17 LYS HE- 17 LYS HG+ 5.50 (# 977:25 Unique 2.19, 3.10 A)
&rst
ixpk= 977, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 240, 241,
igr2= 234, 235,
&end
#
# 0 AMB 25-2:978 0 AMB 25-1:978 4.50 (# 978:25 Double Ambig)
&rst
ixpk= 978, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 231, 232, 231, 232,
igr2= 234, 235, 234, 235,
&end
#
# 0 AMB 25-2:979 17 LYS HG- 4.50 (# 979:25 Single Ambig)
&rst
ixpk= 979, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 231, 232, 231, 232,
igr2= 234, 235,
&end
#
# 34 LEU HB- 34 LEU HG 4.50 (# 980:25 Unique 2.41, 2.73 A)
&rst
ixpk= 980, nxpk= 25, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 491, 492,
&end
#
# 30 VAL MGX 34 LEU HG 4.50 (# 981:25 Unique 3.82, 6.06 A)
&rst
ixpk= 981, nxpk= 25, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 34 LEU MDY 34 LEU HG 3.50 (# 982:25 Unique 2.29, 2.63 A)
&rst
ixpk= 982, nxpk= 25, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 18 GLU HB- 19 VAL MGY 5.50 (# 983:25 Unique 3.35, 5.32 A)
&rst
ixpk= 983, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 253, 254,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 46 ALA MB 19 VAL MGY 3.50 (# 984:25 Unique 2.00, 4.88 A)
&rst
ixpk= 984, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 666, 667, 668,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 43 LEU MDY 19 VAL MGY 5.50 (# 985:25 Unique 4.50, 7.08 A)
&rst
ixpk= 985, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 23 PHE HE 19 VAL MGY 5.50 (# 986:25 Unique 4.49, 9.76 A)
&rst
ixpk= 986, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 338, 342,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 44 ALA HN 43 LEU HG 7.00 (# 987:25 Unique 4.23, 4.45 A)
&rst
ixpk= 987, nxpk= 25, iat= 636, 624, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 11 ILE QD1 11 ILE HG1- 3.50 (# 988:25 Unique 2.20, 2.62 A)
&rst
ixpk= 988, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 156, 157, 158,
igr2= 153, 154,
&end
#
# 11 ILE QD1 11 ILE HG1+ 3.50 (# 989:25 Unique 2.20, 2.62 A)
&rst
ixpk= 989, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 156, 157, 158,
igr2= 153, 154,
&end
#
# 11 ILE HB 11 ILE HG1- 3.50 (# 990:25 Unique 2.43, 2.62 A)
&rst
ixpk= 990, nxpk= 25, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 153, 154,
&end
#
# 11 ILE HB 11 ILE HG1+ 3.50 (# 991:25 Unique 2.43, 2.62 A)
&rst
ixpk= 991, nxpk= 25, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 153, 154,
&end
#
# 51 ILE HB 51 ILE HG1+ 4.50 (# 992:25 Unique 2.43, 2.73 A)
&rst
ixpk= 992, nxpk= 25, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 758, 759,
&end
#
# 51 ILE QD1 51 ILE HG1+ 3.50 (# 993:25 Unique 2.21, 2.62 A)
&rst
ixpk= 993, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 761, 762, 763,
igr2= 758, 759,
&end
#
# 23 PHE HD 25 CYS HA 5.50 (# 995:25 Unique 4.18, 6.82 A)
&rst
ixpk= 995, nxpk= 25, iat= -1, 365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 336, 344,
&end
#
# 29 GLU HB+ 25 CYS HA 5.50 (# 996:25 Unique 4.55, 5.04 A)
&rst
ixpk= 996, nxpk= 25, iat= -1, 365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 418, 419,
&end
#
# 14 GLU HA 12 ASP HB- 5.50 (# 1001:25 Unique 5.68, 6.61 A)
&rst
ixpk= 1001, nxpk= 25, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 166, 167,
&end
#
# 15 ALA MB 12 ASP HB- 4.50 (# 1002:25 Unique 2.00, 3.73 A)
&rst
ixpk= 1002, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 205, 206, 207,
igr2= 166, 167,
&end
#
# 51 ILE QG2 12 ASP HB- 5.50 (# 1003:25 Unique 4.71, 5.85 A)
&rst
ixpk= 1003, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 754, 755, 756,
igr2= 166, 167,
&end
#
# 51 ILE QD1 12 ASP HB- 4.50 (# 1004:25 Unique 2.52, 3.51 A)
&rst
ixpk= 1004, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 761, 762, 763,
igr2= 166, 167,
&end
#
# 13 ASP HN 12 ASP HB- 7.00 (# 1005:25 Unique 4.22, 4.42 A)
&rst
ixpk= 1005, nxpk= 25, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 166, 167,
&end
#
# 14 GLU HA 12 ASP HB+ 5.50 (# 1006:25 Unique 5.68, 6.61 A)
&rst
ixpk= 1006, nxpk= 25, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 166, 167,
&end
#
# 11 ILE QG2 12 ASP HB+ 7.00 (# 1007:25 Unique 4.19, 5.74 A)
&rst
ixpk= 1007, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 149, 150, 151,
igr2= 166, 167,
&end
#
# 11 ILE QG2 12 ASP HB- 7.00 (# 1008:25 Unique 4.19, 5.74 A)
&rst
ixpk= 1008, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 149, 150, 151,
igr2= 166, 167,
&end
#
# 13 ASP HN 0 AMB 25-1:1009 7.00 (# 1009:25 Single Ambig)
&rst
ixpk= 1009, nxpk= 25, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2= 166, 167, 240, 241,
&end
#
# 43 LEU HB- 0 AMB 25-1:1010 7.00 (# 1010:25 Single Ambig)
&rst
ixpk= 1010, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 621, 622,
igr2= 592, 593, 592, 593,
&end
#
# 35 TYR HN 34 LEU HB- 5.50 (# 1012:25 Unique 2.68, 3.33 A)
&rst
ixpk= 1012, nxpk= 25, iat= 506, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 491, 492,
&end
#
# 16 VAL MGX 27 GLU HG+ 3.50 (# 1014:25 Unique 2.00, 5.19 A)
&rst
ixpk= 1014, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 395, 396,
&end
#
# 45 VAL MGY 40 GLN HG+ 7.00 (# 1015:25 Unique 4.04, 6.71 A)
&rst
ixpk= 1015, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 652, 653, 654, 656, 657, 658,
igr2= 578, 579,
&end
#
# 45 VAL MGY 40 GLN HG- 7.00 (# 1016:25 Unique 4.04, 6.71 A)
&rst
ixpk= 1016, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 652, 653, 654, 656, 657, 658,
igr2= 578, 579,
&end
#
# 28 SER HA 31 MET HG+ 7.00 (# 1017:25 Unique 2.07, 2.48 A)
&rst
ixpk= 1017, nxpk= 25, iat= 405, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 452, 453,
&end
#
# 29 GLU HB+ 25 CYS HB+ 4.50 (# 1020:25 Unique 2.18, 3.54 A)
&rst
ixpk= 1020, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 418, 419,
igr2= 367, 368,
&end
#
# 25 CYS HN 25 CYS HB+ 5.50 (# 1021:25 Unique 2.28, 3.09 A)
&rst
ixpk= 1021, nxpk= 25, iat= 363, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 367, 368,
&end
#
# 23 PHE HA 25 CYS HB- 5.50 (# 1023:25 Unique 4.84, 6.04 A)
&rst
ixpk= 1023, nxpk= 25, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 367, 368,
&end
#
# 23 PHE HB+ 25 CYS HB- 5.50 (# 1024:25 Unique 2.23, 4.15 A)
&rst
ixpk= 1024, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 332, 333,
igr2= 367, 368,
&end
#
# 29 GLU HB- 25 CYS HB- 5.50 (# 1025:25 Unique 2.18, 3.54 A)
&rst
ixpk= 1025, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 418, 419,
igr2= 367, 368,
&end
#
# 30 VAL MGY 25 CYS HB- 7.00 (# 1026:25 Unique 3.14, 6.20 A)
&rst
ixpk= 1026, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 367, 368,
&end
#
# 0 AMB 25-2:1027 25 CYS HB- 5.50 (# 1027:25 Single Ambig)
&rst
ixpk= 1027, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
440, 441,
igr2= 367, 368,
&end
#
# 43 LEU MDY 25 CYS HB- 5.50 (# 1028:25 Unique 2.36, 4.42 A)
&rst
ixpk= 1028, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 367, 368,
&end
#
# 43 LEU MDY 42 GLN HG+ 5.50 (# 1029:25 Unique 2.88, 4.86 A)
&rst
ixpk= 1029, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 607, 608,
&end
#
# 43 LEU HN 42 GLN HG+ 5.50 (# 1030:25 Unique 1.95, 2.84 A)
&rst
ixpk= 1030, nxpk= 25, iat= 617, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 607, 608,
&end
#
# 43 LEU HN 42 GLN HG- 7.00 (# 1031:25 Unique 1.95, 2.84 A)
&rst
ixpk= 1031, nxpk= 25, iat= 617, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 607, 608,
&end
#
# 23 PHE HE 22 LYS HB+ 7.00 (# 1034:25 Unique 3.82, 7.76 A)
&rst
ixpk= 1034, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 338, 342,
igr2= 310, 311,
&end
#
# 23 PHE HE 22 LYS HB- 7.00 (# 1035:25 Unique 3.82, 7.76 A)
&rst
ixpk= 1035, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 338, 342,
igr2= 310, 311,
&end
#
# 0 AMB 25-2:1037 0 AMB 25-1:1037 5.50 (# 1037:25 Double Ambig)
&rst
ixpk= 1037, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 742, 743, 744, 758, 759,
igr2= 256, 257, 298, 299,
&end
#
# 32 ASN HA 35 TYR HB+ 5.50 (# 1040:25 Unique 3.91, 4.30 A)
&rst
ixpk= 1040, nxpk= 25, iat= 464, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 510, 511,
&end
#
# 0 AMB 25-2:1041 40 GLN HG- 2.80 (# 1041:25 Single Ambig)
&rst
ixpk= 1041, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 575, 576, 561, 562,
igr2= 578, 579,
&end
#
# 0 AMB 25-2:1042 0 AMB 25-1:1042 2.80 (# 1042:25 Double Ambig)
&rst
ixpk= 1042, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 575, 576, 561, 562,
igr2= 578, 579, 578, 579,
&end
#
# 50 ILE QD1 50 ILE HG1+ 2.80 (# 1044:25 Unique 2.21, 2.62 A)
&rst
ixpk= 1044, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 742, 743, 744,
igr2= 739, 740,
&end
#
# 50 ILE QG2 50 ILE HG1+ 3.50 (# 1045:25 Unique 2.10, 3.34 A)
&rst
ixpk= 1045, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 735, 736, 737,
igr2= 739, 740,
&end
#
# 23 PHE HE 43 LEU MDY 7.00 (# 1046:25 Unique 2.83, 5.80 A)
&rst
ixpk= 1046, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 338, 342,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 41 ASP HN 34 LEU MDY 7.00 (# 1047:25 Unique 5.51, 7.92 A)
&rst
ixpk= 1047, nxpk= 25, iat= 588, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 23 PHE HB- 43 LEU MDY 4.50 (# 1048:25 Unique 2.07, 4.22 A)
&rst
ixpk= 1048, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 332, 333,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 42 GLN HG- 43 LEU MDY 5.50 (# 1049:25 Unique 2.88, 4.86 A)
&rst
ixpk= 1049, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 607, 608,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 43 LEU HB+ 34 LEU MDY 7.00 (# 1052:25 Unique 4.90, 6.91 A)
&rst
ixpk= 1052, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 621, 622,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 47 TYR HB- 46 ALA MB 5.50 (# 1053:25 Unique 4.73, 5.81 A)
&rst
ixpk= 1053, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 676, 677,
igr2= 666, 667, 668,
&end
#
# 56 ILE HB 56 ILE QG2 2.80 (# 1054:25 Unique 2.22, 2.63 A)
&rst
ixpk= 1054, nxpk= 25, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 847, 848, 849,
&end
#
# 56 ILE HG1- 56 ILE QG2 4.50 (# 1055:25 Unique 2.30, 3.47 A)
&rst
ixpk= 1055, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 851, 852,
igr2= 847, 848, 849,
&end
#
# 56 ILE HG1+ 56 ILE QG2 4.50 (# 1056:25 Unique 2.30, 3.47 A)
&rst
ixpk= 1056, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 851, 852,
igr2= 847, 848, 849,
&end
#
# 0 AMB 25-2:1057 51 ILE QG2 2.80 (# 1057:25 Single Ambig)
&rst
ixpk= 1057, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 752, 803, 804,
igr2= 754, 755, 756,
&end
#
# 51 ILE QD1 51 ILE QG2 2.80 (# 1058:25 Unique 2.06, 3.56 A)
&rst
ixpk= 1058, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 761, 762, 763,
igr2= 754, 755, 756,
&end
#
# 15 ALA MB 51 ILE QG2 4.50 (# 1059:25 Unique 3.79, 5.63 A)
&rst
ixpk= 1059, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 205, 206, 207,
igr2= 754, 755, 756,
&end
#
# 11 ILE HB 11 ILE QG2 2.80 (# 1060:25 Unique 2.22, 2.63 A)
&rst
ixpk= 1060, nxpk= 25, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 149, 150, 151,
&end
#
# 11 ILE HG1- 11 ILE QG2 4.50 (# 1061:25 Unique 2.31, 3.48 A)
&rst
ixpk= 1061, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 153, 154,
igr2= 149, 150, 151,
&end
#
# 11 ILE HG1+ 11 ILE QG2 4.50 (# 1062:25 Unique 2.31, 3.48 A)
&rst
ixpk= 1062, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 153, 154,
igr2= 149, 150, 151,
&end
#
# 16 VAL MGY 11 ILE QG2 2.80 (# 1063:25 Unique 2.01, 3.92 A)
&rst
ixpk= 1063, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 149, 150, 151,
&end
#
# 19 VAL HN 50 ILE QD1 5.50 (# 1064:25 Unique 2.86, 3.33 A)
&rst
ixpk= 1064, nxpk= 25, iat= 264, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 742, 743, 744,
&end
#
# 50 ILE HN 50 ILE QD1 5.50 (# 1065:25 Unique 3.63, 4.08 A)
&rst
ixpk= 1065, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 742, 743, 744,
&end
#
# 15 ALA HA 50 ILE QD1 7.00 (# 1066:25 Unique 3.44, 4.57 A)
&rst
ixpk= 1066, nxpk= 25, iat= 203, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 742, 743, 744,
&end
#
# 47 TYR HA 50 ILE QD1 4.50 (# 1067:25 Unique 3.50, 4.14 A)
&rst
ixpk= 1067, nxpk= 25, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 742, 743, 744,
&end
#
# 19 VAL HA 50 ILE QD1 4.50 (# 1068:25 Unique 2.74, 3.21 A)
&rst
ixpk= 1068, nxpk= 25, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 742, 743, 744,
&end
#
# 0 AMB 25-2:1069 50 ILE QD1 5.50 (# 1069:25 Single Ambig)
&rst
ixpk= 1069, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 256, 257, 298, 299,
igr2= 742, 743, 744,
&end
#
# 18 GLU HB- 50 ILE QD1 3.50 (# 1070:25 Unique 2.00, 2.87 A)
&rst
ixpk= 1070, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 253, 254,
igr2= 742, 743, 744,
&end
#
# 50 ILE HB 50 ILE QD1 2.80 (# 1071:25 Unique 2.10, 2.92 A)
&rst
ixpk= 1071, nxpk= 25, iat= 733, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 742, 743, 744,
&end
#
# 50 ILE HG1- 50 ILE QD1 2.80 (# 1072:25 Unique 2.21, 2.62 A)
&rst
ixpk= 1072, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 739, 740,
igr2= 742, 743, 744,
&end
#
# 46 ALA MB 50 ILE QD1 4.50 (# 1073:25 Unique 2.41, 4.51 A)
&rst
ixpk= 1073, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 666, 667, 668,
igr2= 742, 743, 744,
&end
#
# 15 ALA MB 50 ILE QD1 5.50 (# 1074:25 Unique 3.61, 5.58 A)
&rst
ixpk= 1074, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 205, 206, 207,
igr2= 742, 743, 744,
&end
#
# 19 VAL MGY 50 ILE QD1 2.80 (# 1075:25 Unique 2.00, 4.10 A)
&rst
ixpk= 1075, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 270, 271, 272, 274, 275, 276,
igr2= 742, 743, 744,
&end
#
# 0 AMB 25-2:1076 50 ILE QD1 2.80 (# 1076:25 Single Ambig)
&rst
ixpk= 1076, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 270, 271, 272, 274, 275, 276, 739, 740,
igr2= 742, 743, 744,
&end
#
# 56 ILE HB 56 ILE QD1 4.50 (# 1077:25 Unique 2.33, 3.49 A)
&rst
ixpk= 1077, nxpk= 25, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 854, 855, 856,
&end
#
# 56 ILE HG1- 56 ILE QD1 3.50 (# 1078:25 Unique 2.20, 2.62 A)
&rst
ixpk= 1078, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 851, 852,
igr2= 854, 855, 856,
&end
#
# 56 ILE HG1+ 56 ILE QD1 3.50 (# 1079:25 Unique 2.20, 2.62 A)
&rst
ixpk= 1079, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 851, 852,
igr2= 854, 855, 856,
&end
#
# 56 ILE HA 56 ILE QD1 5.50 (# 1080:25 Unique 2.01, 3.76 A)
&rst
ixpk= 1080, nxpk= 25, iat= 843, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 854, 855, 856,
&end
#
# 53 ASN HA 56 ILE QD1 7.00 (# 1081:25 Unique 2.02, 4.00 A)
&rst
ixpk= 1081, nxpk= 25, iat= 781, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 854, 855, 856,
&end
#
# 22 LYS HB+ 22 LYS HG+ 5.50 (# 1083:25 Unique 2.26, 2.64 A)
&rst
ixpk= 1083, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 22 LYS HB- 22 LYS HG+ 4.50 (# 1084:25 Unique 2.26, 2.64 A)
&rst
ixpk= 1084, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 22 LYS HD- 22 LYS HG+ 2.80 (# 1085:25 Unique 2.24, 2.69 A)
&rst
ixpk= 1085, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 316, 317,
igr2= 313, 314,
&end
#
# 43 LEU MDY 30 VAL MGY 3.50 (# 1087:25 Unique 2.00, 5.13 A)
&rst
ixpk= 1087, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 0 AMB 25-2:1089 0 AMB 25-1:1089 4.50 (# 1089:25 Double Ambig)
&rst
ixpk= 1089, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 234, 235, 666, 667, 668,
igr2= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
440, 441,
&end
#
# 11 ILE HB 16 VAL MGY 4.50 (# 1090:25 Unique 4.02, 5.68 A)
&rst
ixpk= 1090, nxpk= 25, iat= 147, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 0 AMB 25-2:1091 30 VAL MGY 4.50 (# 1091:25 Single Ambig)
&rst
ixpk= 1091, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 621, 622, 418, 419,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 30 VAL HB 0 AMB 25-1:1092 2.80 (# 1092:25 Single Ambig)
&rst
ixpk= 1092, nxpk= 25, iat= 433, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
222, 223,
&end
#
# 0 AMB 25-2:1094 43 LEU MDX 2.80 (# 1094:25 Single Ambig)
&rst
ixpk= 1094, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 435, 436, 437, 439, 440, 441, 621, 622,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 51 ILE HB 51 ILE HG1- 4.50 (# 1098:25 Unique 2.43, 2.73 A)
&rst
ixpk= 1098, nxpk= 25, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 758, 759,
&end
#
# 51 ILE QG2 51 ILE HG1- 3.50 (# 1100:25 Unique 2.42, 3.52 A)
&rst
ixpk= 1100, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 754, 755, 756,
igr2= 758, 759,
&end
#
# 51 ILE QD1 51 ILE HG1- 3.50 (# 1101:25 Unique 2.21, 2.62 A)
&rst
ixpk= 1101, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 761, 762, 763,
igr2= 758, 759,
&end
#
# 56 ILE HB 56 ILE HG1- 3.50 (# 1102:25 Unique 2.43, 2.62 A)
&rst
ixpk= 1102, nxpk= 25, iat= 845, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 851, 852,
&end
#
# 0 AMB 25-2:1103 50 ILE HG1- 5.50 (# 1103:25 Single Ambig)
&rst
ixpk= 1103, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 650, 231, 232, 231, 232, 797, 798,
igr2= 739, 740,
&end
#
# 43 LEU HB+ 43 LEU HG 4.50 (# 1107:25 Unique 2.39, 2.73 A)
&rst
ixpk= 1107, nxpk= 25, iat= -1, 624, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 621, 622,
&end
#
# 31 MET HG- 31 MET HB+ 4.50 (# 1108:25 Unique 2.22, 2.70 A)
&rst
ixpk= 1108, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 452, 453,
igr2= 449, 450,
&end
#
# 0 AMB 25-2:1109 22 LYS HD- 5.50 (# 1109:25 Single Ambig)
&rst
ixpk= 1109, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 298, 299, 253, 254,
igr2= 316, 317,
&end
#
# 51 ILE QG2 51 ILE HG1+ 3.50 (# 1110:25 Unique 2.42, 3.52 A)
&rst
ixpk= 1110, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 754, 755, 756,
igr2= 758, 759,
&end
#
# 34 LEU MDX 34 LEU HG 3.50 (# 1116:25 Unique 2.29, 2.63 A)
&rst
ixpk= 1116, nxpk= 25, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 496, 497, 498, 500, 501, 502,
&end
#
# 34 LEU HB+ 34 LEU HG 3.50 (# 1117:25 Unique 2.41, 2.73 A)
&rst
ixpk= 1117, nxpk= 25, iat= -1, 494, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 491, 492,
&end
#
# 34 LEU HN 34 LEU MDX 5.50 (# 1120:25 Unique 2.90, 4.10 A)
&rst
ixpk= 1120, nxpk= 25, iat= 487, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 47 TYR HD 34 LEU MDX 5.50 (# 1122:25 Unique 4.04, 5.65 A)
&rst
ixpk= 1122, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 680, 689,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 25-2:1123 34 LEU MDX 4.50 (# 1123:25 Single Ambig)
&rst
ixpk= 1123, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 447, 638, 489,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 43 LEU HB+ 34 LEU MDX 5.50 (# 1124:25 Unique 4.90, 6.91 A)
&rst
ixpk= 1124, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 621, 622,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 34 LEU HB+ 34 LEU MDX 3.50 (# 1125:25 Unique 2.33, 3.29 A)
&rst
ixpk= 1125, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 491, 492,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 25-2:1126 34 LEU MDX 3.50 (# 1126:25 Single Ambig)
&rst
ixpk= 1126, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 640, 641, 642, 494,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 11 ILE HG1+ 34 LEU MDX 5.50 (# 1127:25 Unique 2.94, 6.62 A)
&rst
ixpk= 1127, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 153, 154,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 30 VAL MGY 34 LEU MDX 5.50 (# 1128:25 Unique 3.20, 6.75 A)
&rst
ixpk= 1128, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 34 LEU HB- 34 LEU MDX 4.50 (# 1129:25 Unique 2.33, 3.29 A)
&rst
ixpk= 1129, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 491, 492,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 25-2:1130 34 LEU MDX 2.80 (# 1130:25 Single Ambig)
&rst
ixpk= 1130, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 435, 436, 437, 439, 440, 441, 149, 150, 151,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 11 ILE QD1 34 LEU MDX 4.50 (# 1131:25 Unique 2.39, 6.02 A)
&rst
ixpk= 1131, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 156, 157, 158,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 30 VAL MGX 19 VAL MGY 4.50 (# 1134:25 Unique 2.00, 4.28 A)
&rst
ixpk= 1134, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 22 LYS HN 22 LYS HG+ 5.50 (# 1135:25 Unique 2.63, 4.13 A)
&rst
ixpk= 1135, nxpk= 25, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 53 ASN HB- 22 LYS HG+ 5.50 (# 1136:25 Unique 7.70, 9.37 A)
&rst
ixpk= 1136, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 783, 784,
igr2= 313, 314,
&end
#
# 34 LEU HG 30 VAL MGX 4.50 (# 1137:25 Unique 3.82, 6.06 A)
&rst
ixpk= 1137, nxpk= 25, iat= 494, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 19 VAL MGY 30 VAL MGX 4.50 (# 1139:25 Unique 2.00, 4.28 A)
&rst
ixpk= 1139, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 270, 271, 272, 274, 275, 276,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 0 AMB 25-2:1140 16 VAL MGX 2.80 (# 1140:25 Single Ambig)
&rst
ixpk= 1140, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 213, 390,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 0 AMB 25-2:1141 16 VAL MGX 4.50 (# 1141:25 Single Ambig)
&rst
ixpk= 1141, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 452, 453, 178, 179, 178, 179,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 16 VAL HB 16 VAL MGX 2.80 (# 1142:25 Unique 2.22, 2.63 A)
&rst
ixpk= 1142, nxpk= 25, iat= 215, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 30 VAL HB 16 VAL MGX 4.50 (# 1143:25 Unique 2.68, 4.71 A)
&rst
ixpk= 1143, nxpk= 25, iat= 433, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 30 VAL MGX 16 VAL MGX 2.80 (# 1145:25 Unique 2.87, 5.91 A)
&rst
ixpk= 1145, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 0 AMB 25-2:1147 56 ILE QG2 7.00 (# 1147:25 Single Ambig)
&rst
ixpk= 1147, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 860, 891,
igr2= 847, 848, 849,
&end
#
# 55 ARG HN 56 ILE QG2 7.00 (# 1148:25 Unique 6.49, 6.60 A)
&rst
ixpk= 1148, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 847, 848, 849,
&end
#
# 38 ASP HA 39 PRO HG+ 7.00 (# 1149:25 Unique 4.54, 4.58 A)
&rst
ixpk= 1149, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 561, 562,
&end
#
# 38 ASP HA 39 PRO HG- 7.00 (# 1150:25 Unique 4.54, 4.58 A)
&rst
ixpk= 1150, nxpk= 25, iat= 547, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 561, 562,
&end
#
# 40 GLN HN 39 PRO HG+ 7.00 (# 1151:25 Unique 3.04, 3.71 A)
&rst
ixpk= 1151, nxpk= 25, iat= 571, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 561, 562,
&end
#
# 40 GLN HN 39 PRO HG- 5.50 (# 1152:25 Unique 3.04, 3.71 A)
&rst
ixpk= 1152, nxpk= 25, iat= 571, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 561, 562,
&end
#
# 25 CYS HN 0 AMB 25-1:1153 7.00 (# 1153:25 Single Ambig)
&rst
ixpk= 1153, nxpk= 25, iat= 363, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2= 352, 353, 352, 353,
&end
#
# 30 VAL MGY 29 GLU HB+ 5.50 (# 1155:25 Unique 3.28, 5.91 A)
&rst
ixpk= 1155, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 435, 436, 437, 439, 440, 441,
igr2= 418, 419,
&end
#
# 0 AMB 25-2:1156 0 AMB 25-1:1156 4.50 (# 1156:25 Double Ambig)
&rst
ixpk= 1156, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
440, 441,
igr2= 418, 419, 418, 419,
&end
#
# 22 LYS HA 22 LYS HD- 5.50 (# 1157:25 Unique 2.00, 3.31 A)
&rst
ixpk= 1157, nxpk= 25, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 316, 317,
&end
#
# 51 ILE HA 54 ARG HD+ 5.50 (# 1158:25 Unique 2.06, 3.42 A)
&rst
ixpk= 1158, nxpk= 25, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 803, 804,
&end
#
# 0 AMB 25-2:1159 0 AMB 25-1:1159 5.50 (# 1159:25 Double Ambig)
&rst
ixpk= 1159, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 754, 755, 756, 735, 736, 737,
igr2= 803, 804, 803, 804,
&end
#
# 25 CYS HB+ 26 THR MG2 5.50 (# 1160:25 Unique 4.03, 5.92 A)
&rst
ixpk= 1160, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 367, 368,
igr2= 380, 381, 382,
&end
#
# 0 AMB 25-2:1161 26 THR MG2 5.50 (# 1161:25 Single Ambig)
&rst
ixpk= 1161, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 421, 422, 421, 422,
igr2= 380, 381, 382,
&end
#
# 28 SER HN 26 THR MG2 5.50 (# 1162:25 Unique 4.83, 5.19 A)
&rst
ixpk= 1162, nxpk= 25, iat= 403, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 380, 381, 382,
&end
#
# 45 VAL HN 49 LEU MDY 5.50 (# 1163:25 Unique 6.53, 8.29 A)
&rst
ixpk= 1163, nxpk= 25, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 719, 720, 721, 723, 724, 725,
&end
#
# 42 GLN HA 49 LEU MDY 5.50 (# 1165:25 Unique 7.35, 8.92 A)
&rst
ixpk= 1165, nxpk= 25, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 719, 720, 721, 723, 724, 725,
&end
#
# 0 AMB 25-2:1166 49 LEU MDY 4.50 (# 1166:25 Single Ambig)
&rst
ixpk= 1166, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 650, 845,
igr2= 719, 720, 721, 723, 724, 725,
&end
#
# 0 AMB 25-2:1167 0 AMB 25-1:1167 3.50 (# 1167:25 Double Ambig)
&rst
ixpk= 1167, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 712, 129, 819,
igr2= 719, 720, 721, 723, 724, 725, 133, 134, 135, 137,
138, 139, 824, 825, 824, 825,
&end
#
# 0 AMB 25-2:1168 0 AMB 25-1:1168 4.50 (# 1168:25 Double Ambig)
&rst
ixpk= 1168, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 817, 127,
igr2= 824, 825, 824, 825, 133, 134, 135, 137, 138, 139,
&end
#
# 11 ILE HN 10 VAL MGY 5.50 (# 1169:25 Unique 1.98, 4.15 A)
&rst
ixpk= 1169, nxpk= 25, iat= 143, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 133, 134, 135, 137, 138, 139,
&end
#
# 0 AMB 25-2:1170 0 AMB 25-1:1170 2.80 (# 1170:25 Double Ambig)
&rst
ixpk= 1170, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
igr1= 821, 822, 821, 822, 821, 822, 131,
igr2= 824, 825, 824, 825, 824, 825, 133, 134, 135, 137,
138, 139,
&end
#
# 19 VAL MGY 34 LEU MDY 5.50 (# 1171:25 Unique 6.04, 8.64 A)
&rst
ixpk= 1171, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 270, 271, 272, 274, 275, 276,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 0 AMB 25-2:1172 43 LEU MDY 7.00 (# 1172:25 Single Ambig)
&rst
ixpk= 1172, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.34, r4=13.09,
igr1= 313, 314, 380, 381, 382,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 43 LEU HN 46 ALA MB 5.50 (# 1173:25 Unique 5.32, 6.07 A)
&rst
ixpk= 1173, nxpk= 25, iat= 617, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 666, 667, 668,
&end
#
# 0 AMB 25-2:1174 46 ALA MB 7.00 (# 1174:25 Single Ambig)
&rst
ixpk= 1174, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 264, 693,
igr2= 666, 667, 668,
&end
#
# 34 LEU MDY 44 ALA MB 3.50 (# 1176:25 Unique 2.10, 5.13 A)
&rst
ixpk= 1176, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 640, 641, 642,
&end
#
# 0 AMB 25-2:1177 44 ALA MB 3.50 (# 1177:25 Single Ambig)
&rst
ixpk= 1177, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 592, 593, 592, 593,
igr2= 640, 641, 642,
&end
#
# 41 ASP HN 44 ALA MB 5.50 (# 1178:25 Unique 1.96, 3.03 A)
&rst
ixpk= 1178, nxpk= 25, iat= 588, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 640, 641, 642,
&end
#
# 44 ALA HN 44 ALA MB 3.50 (# 1179:25 Unique 2.29, 2.89 A)
&rst
ixpk= 1179, nxpk= 25, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 640, 641, 642,
&end
#
# 45 VAL HN 44 ALA MB 4.50 (# 1180:25 Unique 3.18, 3.82 A)
&rst
ixpk= 1180, nxpk= 25, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 640, 641, 642,
&end
#
# 0 AMB 25-2:1181 44 ALA MB 2.80 (# 1181:25 Single Ambig)
&rst
ixpk= 1181, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 638, 489,
igr2= 640, 641, 642,
&end
#
# 25 CYS HB- 43 LEU MDX 7.00 (# 1183:25 Unique 2.36, 4.42 A)
&rst
ixpk= 1183, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 367, 368,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 0 AMB 25-2:1184 0 AMB 25-1:1184 7.00 (# 1184:25 Double Ambig)
&rst
ixpk= 1184, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 298, 299, 253, 254,
igr2= 313, 314, 313, 314,
&end
#
# 2 PRO HA 2 PRO HB- 5.50 (# 1185:25 Unique 2.30, 2.51 A)
&rst
ixpk= 1185, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 18, 19,
&end
#
# 27 GLU HG+ 27 GLU HA 4.50 (# 1188:25 Unique 2.36, 2.86 A)
&rst
ixpk= 1188, nxpk= 25, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 395, 396,
&end
#
# 31 MET HG- 28 SER HA 5.50 (# 1189:25 Unique 2.07, 2.48 A)
&rst
ixpk= 1189, nxpk= 25, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 452, 453,
&end
#
# 31 MET HG+ 28 SER HA 7.00 (# 1190:25 Unique 2.07, 2.48 A)
&rst
ixpk= 1190, nxpk= 25, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 452, 453,
&end
#
# 0 AMB 25-2:1191 28 SER HA 5.50 (# 1191:25 Single Ambig)
&rst
ixpk= 1191, nxpk= 25, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 421, 422, 421, 422, 395, 396,
&end
#
# 31 MET HG+ 27 GLU HA 7.00 (# 1193:25 Unique 4.67, 5.51 A)
&rst
ixpk= 1193, nxpk= 25, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 452, 453,
&end
#
# 47 TYR HD 48 HIS HA 4.50 (# 1194:25 Unique 3.66, 4.82 A)
&rst
ixpk= 1194, nxpk= 25, iat= -1, 695, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 680, 689,
&end
#
# 16 VAL MGY 0 AMB 25-1:1197 5.50 (# 1197:25 Single Ambig)
&rst
ixpk= 1197, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 145, 188,
&end
#
# 0 AMB 25-2:1198 11 ILE HA 5.50 (# 1198:25 Single Ambig)
&rst
ixpk= 1198, nxpk= 25, iat= -1, 145, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 133, 134, 135, 137, 138, 139, 217, 218, 219, 221,
222, 223,
&end
#
# 44 ALA HN 42 GLN HA 7.00 (# 1200:25 Unique 4.65, 4.75 A)
&rst
ixpk= 1200, nxpk= 25, iat= 636, 602, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 44 ALA MB 33 SER HB- 5.50 (# 1201:25 Unique 2.54, 4.50 A)
&rst
ixpk= 1201, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 640, 641, 642,
igr2= 480, 481,
&end
#
# 53 ASN HN 50 ILE HA 5.50 (# 1202:25 Unique 3.53, 3.58 A)
&rst
ixpk= 1202, nxpk= 25, iat= 779, 731, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 ILE HN 50 ILE HA 4.50 (# 1203:25 Unique 2.91, 2.91 A)
&rst
ixpk= 1203, nxpk= 25, iat= 729, 731, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1204 50 ILE HA 7.00 (# 1204:25 Single Ambig)
&rst
ixpk= 1204, nxpk= 25, iat= -1, 731, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 664, 203,
&end
#
# 53 ASN HB- 50 ILE HA 4.50 (# 1205:25 Unique 2.62, 3.33 A)
&rst
ixpk= 1205, nxpk= 25, iat= -1, 731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 783, 784,
&end
#
# 50 ILE HB 50 ILE HA 3.50 (# 1206:25 Unique 3.02, 3.02 A)
&rst
ixpk= 1206, nxpk= 25, iat= 733, 731, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 ILE HG1- 50 ILE HA 3.50 (# 1207:25 Unique 2.58, 2.75 A)
&rst
ixpk= 1207, nxpk= 25, iat= -1, 731, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 739, 740,
&end
#
# 50 ILE HG1+ 50 ILE HA 3.50 (# 1208:25 Unique 2.58, 2.75 A)
&rst
ixpk= 1208, nxpk= 25, iat= -1, 731, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 739, 740,
&end
#
# 0 AMB 25-2:1209 50 ILE HA 4.50 (# 1209:25 Single Ambig)
&rst
ixpk= 1209, nxpk= 25, iat= -1, 731, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 742, 743, 744, 758, 759,
&end
#
# 50 ILE QG2 50 ILE HA 3.50 (# 1210:25 Unique 2.40, 3.13 A)
&rst
ixpk= 1210, nxpk= 25, iat= -1, 731, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 735, 736, 737,
&end
#
# 33 SER HN 30 VAL HA 5.50 (# 1211:25 Unique 3.48, 3.57 A)
&rst
ixpk= 1211, nxpk= 25, iat= 476, 431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 SER HB+ 30 VAL HA 5.50 (# 1212:25 Unique 2.76, 3.64 A)
&rst
ixpk= 1212, nxpk= 25, iat= -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 480, 481,
&end
#
# 16 VAL HB 16 VAL HA 3.50 (# 1213:25 Unique 3.02, 3.02 A)
&rst
ixpk= 1213, nxpk= 25, iat= 215, 213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1215 16 VAL HA 5.50 (# 1215:25 Single Ambig)
&rst
ixpk= 1215, nxpk= 25, iat= -1, 213, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 280, 201,
&end
#
# 13 ASP HA 16 VAL HA 7.00 (# 1218:25 Unique 4.95, 5.12 A)
&rst
ixpk= 1218, nxpk= 25, iat= 176, 213, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 36 SER HN 35 TYR HB+ 5.50 (# 1220:25 Unique 3.64, 3.95 A)
&rst
ixpk= 1220, nxpk= 25, iat= 527, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 510, 511,
&end
#
# 15 ALA HN 14 GLU HG- 7.00 (# 1221:25 Unique 4.17, 4.53 A)
&rst
ixpk= 1221, nxpk= 25, iat= 201, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 193, 194,
&end
#
# 0 AMB 25-2:1222 27 GLU HG- 5.50 (# 1222:25 Single Ambig)
&rst
ixpk= 1222, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 403, 264,
igr2= 395, 396,
&end
#
# 27 GLU HN 27 GLU HG- 5.50 (# 1223:25 Unique 1.97, 2.63 A)
&rst
ixpk= 1223, nxpk= 25, iat= 388, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 395, 396,
&end
#
# 10 VAL MGY 7 ASP HB- 5.50 (# 1224:25 Unique 2.16, 4.98 A)
&rst
ixpk= 1224, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 133, 134, 135, 137, 138, 139,
igr2= 95, 96,
&end
#
# 33 SER HB- 38 ASP HB+ 7.00 (# 1225:25 Unique 7.38, 8.62 A)
&rst
ixpk= 1225, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 480, 481,
igr2= 549, 550,
&end
#
# 36 SER HA 38 ASP HB+ 7.00 (# 1226:25 Unique 8.93, 9.39 A)
&rst
ixpk= 1226, nxpk= 25, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 549, 550,
&end
#
# 7 ASP HN 7 ASP HB- 5.50 (# 1227:25 Unique 2.23, 3.11 A)
&rst
ixpk= 1227, nxpk= 25, iat= 91, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 95, 96,
&end
#
# 0 AMB 25-2:1228 0 AMB 25-1:1228 7.00 (# 1228:25 Double Ambig)
&rst
ixpk= 1228, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 571, 103,
igr2= 549, 550, 95, 96,
&end
#
# 34 LEU HN 33 SER HA 5.50 (# 1229:25 Unique 3.40, 3.40 A)
&rst
ixpk= 1229, nxpk= 25, iat= 487, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1231 33 SER HA 7.00 (# 1231:25 Single Ambig)
&rst
ixpk= 1231, nxpk= 25, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 621, 622, 418, 419,
&end
#
# 44 ALA MB 33 SER HA 5.50 (# 1232:25 Unique 4.85, 6.03 A)
&rst
ixpk= 1232, nxpk= 25, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 640, 641, 642,
&end
#
# 53 ASN HN 51 ILE HA 7.00 (# 1235:25 Unique 4.23, 4.38 A)
&rst
ixpk= 1235, nxpk= 25, iat= 779, 750, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 29 GLU HB- 0 AMB 25-1:1240 2.80 (# 1240:25 Single Ambig)
&rst
ixpk= 1240, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 418, 419,
igr2= 421, 422, 421, 422,
&end
#
# 19 VAL MGY 19 VAL HB 2.80 (# 1242:25 Unique 2.39, 2.63 A)
&rst
ixpk= 1242, nxpk= 25, iat= -1, 268, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 25-2:1243 0 AMB 25-1:1243 2.80 (# 1243:25 Double Ambig)
&rst
ixpk= 1243, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
222, 223, 270, 271, 272, 274, 275, 276,
igr2= 268, 215,
&end
#
# 16 VAL MGX 16 VAL HB 2.80 (# 1244:25 Unique 2.22, 2.63 A)
&rst
ixpk= 1244, nxpk= 25, iat= -1, 215, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 217, 218, 219, 221, 222, 223,
&end
#
# 30 VAL MGX 19 VAL HB 4.50 (# 1245:25 Unique 2.20, 3.65 A)
&rst
ixpk= 1245, nxpk= 25, iat= -1, 268, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 0 AMB 25-2:1246 0 AMB 25-1:1246 7.00 (# 1246:25 Double Ambig)
&rst
ixpk= 1246, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=15.28, r4=16.03,
igr1= 270, 271, 272, 274, 275, 276, 217, 218, 219, 221,
222, 223, 435, 436, 437, 439, 440, 441,
igr2= 284, 285, 284, 285, 284, 285,
&end
#
# 0 AMB 25-2:1247 20 CYS HB- 7.00 (# 1247:25 Single Ambig)
&rst
ixpk= 1247, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
igr1= 270, 271, 272, 274, 275, 276, 217, 218, 219, 221,
222, 223, 435, 436, 437, 439, 440, 441,
igr2= 284, 285,
&end
#
# 25 CYS HN 20 CYS HB- 5.50 (# 1248:25 Unique 4.42, 5.37 A)
&rst
ixpk= 1248, nxpk= 25, iat= 363, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 284, 285,
&end
#
# 29 GLU HN 26 THR MG2 5.50 (# 1250:25 Unique 4.50, 5.09 A)
&rst
ixpk= 1250, nxpk= 25, iat= 414, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 380, 381, 382,
&end
#
# 12 ASP HB- 51 ILE QG2 7.00 (# 1252:25 Unique 4.71, 5.85 A)
&rst
ixpk= 1252, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 166, 167,
igr2= 754, 755, 756,
&end
#
# 13 ASP HN 11 ILE QG2 7.00 (# 1253:25 Unique 3.76, 5.20 A)
&rst
ixpk= 1253, nxpk= 25, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 149, 150, 151,
&end
#
# 0 AMB 25-2:1254 0 AMB 25-1:1254 7.00 (# 1254:25 Double Ambig)
&rst
ixpk= 1254, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
igr1= 403, 264,
igr2= 395, 396, 395, 396,
&end
#
# 16 VAL MGX 27 GLU HG- 4.50 (# 1255:25 Unique 2.00, 5.19 A)
&rst
ixpk= 1255, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 217, 218, 219, 221, 222, 223,
igr2= 395, 396,
&end
#
# 45 VAL HA 49 LEU HB+ 7.00 (# 1281:25 Unique 4.22, 5.12 A)
&rst
ixpk= 1281, nxpk= 25, iat= 648, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 714, 715,
&end
#
# 19 VAL HA 49 LEU HB- 7.00 (# 1282:25 Unique 6.72, 7.31 A)
&rst
ixpk= 1282, nxpk= 25, iat= 266, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 714, 715,
&end
#
# 36 SER HA 38 ASP HB- 7.00 (# 1285:25 Unique 8.93, 9.39 A)
&rst
ixpk= 1285, nxpk= 25, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 549, 550,
&end
#
# 0 AMB 25-2:1286 43 LEU HB- 7.00 (# 1286:25 Single Ambig)
&rst
ixpk= 1286, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
igr1= 217, 218, 219, 221, 222, 223, 742, 743, 744,
igr2= 621, 622,
&end
#
# 0 AMB 25-2:1287 0 AMB 25-1:1287 7.00 (# 1287:25 Double Ambig)
&rst
ixpk= 1287, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.53, r4=12.28,
igr1= 640, 641, 642, 153, 154,
igr2= 676, 677, 676, 677,
&end
#
# 0 AMB 25-2:1288 47 TYR HB- 7.00 (# 1288:25 Single Ambig)
&rst
ixpk= 1288, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
igr1= 640, 641, 642, 153, 154,
igr2= 676, 677,
&end
#
# 27 GLU HG- 27 GLU HA 4.50 (# 1289:25 Unique 2.36, 2.86 A)
&rst
ixpk= 1289, nxpk= 25, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 395, 396,
&end
#
# 14 GLU HN 12 ASP HB- 7.00 (# 1290:25 Unique 3.72, 4.53 A)
&rst
ixpk= 1290, nxpk= 25, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 166, 167,
&end
#
# 0 AMB 25-2:1291 0 AMB 25-1:1291 5.50 (# 1291:25 Double Ambig)
&rst
ixpk= 1291, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 697, 698, 697, 698,
igr2= 771, 772, 771, 772,
&end
#
# 50 ILE HN 52 ASP HB+ 7.00 (# 1292:25 Unique 5.31, 5.45 A)
&rst
ixpk= 1292, nxpk= 25, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 771, 772,
&end
#
# 25 CYS HB- 23 PHE HB+ 5.50 (# 1294:25 Unique 2.23, 4.15 A)
&rst
ixpk= 1294, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 367, 368,
igr2= 332, 333,
&end
#
# 0 AMB 25-2:1295 0 AMB 25-1:1295 7.00 (# 1295:25 Double Ambig)
&rst
ixpk= 1295, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
igr1= 607, 608, 352, 353, 352, 353,
igr2= 332, 333, 332, 333, 332, 333,
&end
#
# 0 AMB 25-2:1296 0 AMB 25-1:1296 5.50 (# 1296:25 Double Ambig)
&rst
ixpk= 1296, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 46, 47, 845,
igr2= 74, 75, 783, 784,
&end
#
# 0 AMB 25-2:1297 53 ASN HB- 5.50 (# 1297:25 Single Ambig)
&rst
ixpk= 1297, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
724, 725,
igr2= 783, 784,
&end
#
# 50 ILE QG2 53 ASN HB- 7.00 (# 1298:25 Unique 3.82, 5.61 A)
&rst
ixpk= 1298, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 735, 736, 737,
igr2= 783, 784,
&end
#
# 43 LEU MDX 23 PHE HB+ 7.00 (# 1299:25 Unique 2.07, 4.22 A)
&rst
ixpk= 1299, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 332, 333,
&end
#
# 24 GLU HN 23 PHE HB+ 5.50 (# 1300:25 Unique 3.29, 3.81 A)
&rst
ixpk= 1300, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 332, 333,
&end
#
# 25 CYS HN 23 PHE HB+ 5.50 (# 1302:25 Unique 2.70, 3.57 A)
&rst
ixpk= 1302, nxpk= 25, iat= 363, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 332, 333,
&end
#
# 55 ARG HN 52 ASP HA 7.00 (# 1303:25 Unique 3.51, 3.74 A)
&rst
ixpk= 1303, nxpk= 25, iat= 817, 769, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 0 AMB 25-2:1305 52 ASP HA 7.00 (# 1305:25 Single Ambig)
&rst
ixpk= 1305, nxpk= 25, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 697, 698, 697, 698,
&end
#
# 0 AMB 25-2:1306 52 ASP HA 7.00 (# 1306:25 Single Ambig)
&rst
ixpk= 1306, nxpk= 25, iat= -1, 769, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
igr1= 714, 715, 739, 740, 717,
&end
#
# 31 MET HG+ 31 MET HA 7.00 (# 1307:25 Unique 3.57, 3.78 A)
&rst
ixpk= 1307, nxpk= 25, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 452, 453,
&end
#
# 30 VAL MGY 31 MET HA 7.00 (# 1308:25 Unique 3.18, 5.36 A)
&rst
ixpk= 1308, nxpk= 25, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 23 PHE HN 24 GLU HA 5.50 (# 1310:25 Unique 4.27, 4.60 A)
&rst
ixpk= 1310, nxpk= 25, iat= 328, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 SER HB- 5 SER HA 3.50 (# 1311:25 Unique 2.32, 2.66 A)
&rst
ixpk= 1311, nxpk= 25, iat= -1, 61, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 63, 64,
&end
#
# 5 SER HA 5 SER HB- 3.50 (# 1313:25 Unique 2.32, 2.66 A)
&rst
ixpk= 1313, nxpk= 25, iat= 61, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 63, 64,
&end
#
# 5 SER HN 5 SER HB- 7.00 (# 1315:25 Unique 2.32, 3.14 A)
&rst
ixpk= 1315, nxpk= 25, iat= 59, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 63, 64,
&end
#
# 6 TYR HN 6 TYR HA 7.00 (# 1316:25 Unique 2.27, 2.86 A)
&rst
ixpk= 1316, nxpk= 25, iat= 70, 72, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 7 ASP HN 7 ASP HB+ 5.50 (# 1317:25 Unique 2.23, 3.11 A)
&rst
ixpk= 1317, nxpk= 25, iat= 91, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 95, 96,
&end
#
# 0 AMB 25-2:1318 0 AMB 25-1:1318 2.80 (# 1318:25 Double Ambig)
&rst
ixpk= 1318, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 881, 882, 117, 118,
igr2= 879, 115,
&end
#
# 11 ILE HG1- 11 ILE HB 3.50 (# 1323:25 Unique 2.43, 2.62 A)
&rst
ixpk= 1323, nxpk= 25, iat= -1, 147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 153, 154,
&end
#
# 0 AMB 25-2:1324 11 ILE HG1- 7.00 (# 1324:25 Single Ambig)
&rst
ixpk= 1324, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
440, 441,
igr2= 153, 154,
&end
#
# 0 AMB 25-2:1325 0 AMB 25-1:1325 7.00 (# 1325:25 Double Ambig)
&rst
ixpk= 1325, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
440, 441,
igr2= 153, 154, 153, 154,
&end
#
# 0 AMB 25-2:1326 11 ILE QD1 5.50 (# 1326:25 Single Ambig)
&rst
ixpk= 1326, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
440, 441,
igr2= 156, 157, 158,
&end
#
# 18 GLU HG- 15 ALA HA 7.00 (# 1328:25 Unique 2.73, 3.33 A)
&rst
ixpk= 1328, nxpk= 25, iat= -1, 203, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 256, 257,
&end
#
# 16 VAL HN 16 VAL MGX 5.50 (# 1329:25 Unique 2.15, 3.68 A)
&rst
ixpk= 1329, nxpk= 25, iat= 211, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 17 LYS HN 16 VAL MGX 4.50 (# 1330:25 Unique 4.01, 4.71 A)
&rst
ixpk= 1330, nxpk= 25, iat= 227, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 217, 218, 219, 221, 222, 223,
&end
#
# 17 LYS HG- 0 AMB 25-1:1332 3.50 (# 1332:25 Single Ambig)
&rst
ixpk= 1332, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 234, 235,
igr2= 231, 232, 231, 232,
&end
#
# 0 AMB 25-2:1333 0 AMB 25-1:1333 3.50 (# 1333:25 Double Ambig)
&rst
ixpk= 1333, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 193, 194, 395, 396, 395, 396,
igr2= 231, 232, 231, 232, 231, 232,
&end
#
# 14 GLU HA 17 LYS HE- 7.00 (# 1334:25 Unique 2.07, 5.07 A)
&rst
ixpk= 1334, nxpk= 25, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 240, 241,
&end
#
# 20 CYS HN 19 VAL HA 5.50 (# 1335:25 Unique 3.45, 3.46 A)
&rst
ixpk= 1335, nxpk= 25, iat= 280, 266, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 VAL HN 19 VAL HA 4.50 (# 1336:25 Unique 2.79, 2.83 A)
&rst
ixpk= 1336, nxpk= 25, iat= 264, 266, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LYS HN 19 VAL HA 5.50 (# 1337:25 Unique 3.05, 3.17 A)
&rst
ixpk= 1337, nxpk= 25, iat= 306, 266, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 PHE HD 19 VAL HA 7.00 (# 1338:25 Unique 3.21, 6.53 A)
&rst
ixpk= 1338, nxpk= 25, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 336, 344,
&end
#
# 23 PHE HE 19 VAL HA 7.00 (# 1339:25 Unique 4.78, 8.43 A)
&rst
ixpk= 1339, nxpk= 25, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 338, 342,
&end
#
# 19 VAL HB 19 VAL HA 4.50 (# 1340:25 Unique 2.48, 2.50 A)
&rst
ixpk= 1340, nxpk= 25, iat= 268, 266, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1341 19 VAL HA 7.00 (# 1341:25 Single Ambig)
&rst
ixpk= 1341, nxpk= 25, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 298, 299, 256, 257,
&end
#
# 22 LYS HB+ 19 VAL HA 4.50 (# 1342:25 Unique 1.99, 2.70 A)
&rst
ixpk= 1342, nxpk= 25, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 310, 311,
&end
#
# 22 LYS HB- 19 VAL HA 4.50 (# 1343:25 Unique 1.99, 2.70 A)
&rst
ixpk= 1343, nxpk= 25, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 310, 311,
&end
#
# 19 VAL MGY 19 VAL HA 2.80 (# 1344:25 Unique 2.37, 3.45 A)
&rst
ixpk= 1344, nxpk= 25, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 19 VAL MGX 19 VAL HA 3.50 (# 1345:25 Unique 2.37, 3.45 A)
&rst
ixpk= 1345, nxpk= 25, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 50 ILE QD1 19 VAL HA 5.50 (# 1346:25 Unique 2.74, 3.21 A)
&rst
ixpk= 1346, nxpk= 25, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 742, 743, 744,
&end
#
# 0 AMB 25-2:1347 19 VAL HA 7.00 (# 1347:25 Single Ambig)
&rst
ixpk= 1347, nxpk= 25, iat= -1, 266, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
igr1= 435, 436, 437, 439, 440, 441, 626, 627, 628, 630,
631, 632, 735, 736, 737,
&end
#
# 0 AMB 25-2:1348 19 VAL HA 7.00 (# 1348:25 Single Ambig)
&rst
ixpk= 1348, nxpk= 25, iat= -1, 266, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr1= 664, 293,
&end
#
# 20 CYS HB+ 20 CYS HA 5.50 (# 1349:25 Unique 2.40, 2.76 A)
&rst
ixpk= 1349, nxpk= 25, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 284, 285,
&end
#
# 20 CYS HB- 20 CYS HA 4.50 (# 1350:25 Unique 2.40, 2.76 A)
&rst
ixpk= 1350, nxpk= 25, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 284, 285,
&end
#
# 0 AMB 25-2:1351 20 CYS HA 5.50 (# 1351:25 Single Ambig)
&rst
ixpk= 1351, nxpk= 25, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 270, 271, 272, 274, 275, 276, 435, 436, 437, 439,
440, 441,
&end
#
# 24 GLU HG- 22 LYS HA 5.50 (# 1354:25 Unique 6.46, 7.35 A)
&rst
ixpk= 1354, nxpk= 25, iat= -1, 308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 355, 356,
&end
#
# 22 LYS HB+ 22 LYS HG- 5.50 (# 1355:25 Unique 2.26, 2.64 A)
&rst
ixpk= 1355, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 22 LYS HB- 22 LYS HG- 5.50 (# 1356:25 Unique 2.26, 2.64 A)
&rst
ixpk= 1356, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 310, 311,
igr2= 313, 314,
&end
#
# 22 LYS HD- 22 LYS HG- 4.50 (# 1357:25 Unique 2.24, 2.69 A)
&rst
ixpk= 1357, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 316, 317,
igr2= 313, 314,
&end
#
# 53 ASN HB- 22 LYS HG- 7.00 (# 1361:25 Unique 7.70, 9.37 A)
&rst
ixpk= 1361, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 783, 784,
igr2= 313, 314,
&end
#
# 23 PHE HE 22 LYS HD- 7.00 (# 1362:25 Unique 5.11, 9.46 A)
&rst
ixpk= 1362, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 338, 342,
igr2= 316, 317,
&end
#
# 26 THR HA 26 THR HB 2.80 (# 1363:25 Unique 2.40, 2.43 A)
&rst
ixpk= 1363, nxpk= 25, iat= 376, 378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 THR MG2 26 THR HB 2.80 (# 1364:25 Unique 2.23, 2.64 A)
&rst
ixpk= 1364, nxpk= 25, iat= -1, 378, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 380, 381, 382,
&end
#
# 28 SER HN 26 THR HB 5.50 (# 1365:25 Unique 2.55, 2.78 A)
&rst
ixpk= 1365, nxpk= 25, iat= 403, 378, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1366 28 SER HA 2.80 (# 1366:25 Single Ambig)
&rst
ixpk= 1366, nxpk= 25, iat= -1, 405, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 407, 408, 407, 408,
&end
#
# 26 THR HA 0 AMB 25-1:1367 7.00 (# 1367:25 Single Ambig)
&rst
ixpk= 1367, nxpk= 25, iat= 376, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2= 407, 408, 407, 408,
&end
#
# 0 AMB 25-2:1368 0 AMB 25-1:1368 5.50 (# 1368:25 Double Ambig)
&rst
ixpk= 1368, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 392, 393, 392, 393,
igr2= 407, 408, 407, 408,
&end
#
# 0 AMB 25-2:1369 0 AMB 25-1:1369 7.00 (# 1369:25 Double Ambig)
&rst
ixpk= 1369, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 392, 393, 418, 419,
igr2= 407, 408, 407, 408,
&end
#
# 26 THR HN 29 GLU HB- 7.00 (# 1371:25 Unique 2.31, 3.26 A)
&rst
ixpk= 1371, nxpk= 25, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 418, 419,
&end
#
# 34 LEU MDX 30 VAL MGY 5.50 (# 1372:25 Unique 3.20, 6.75 A)
&rst
ixpk= 1372, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 31 MET HG+ 30 VAL MGX 7.00 (# 1373:25 Unique 4.84, 6.44 A)
&rst
ixpk= 1373, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 452, 453,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 47 TYR HB+ 30 VAL MGX 7.00 (# 1374:25 Unique 2.88, 5.31 A)
&rst
ixpk= 1374, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 676, 677,
igr2= 435, 436, 437, 439, 440, 441,
&end
#
# 45 VAL HA 45 VAL MGX 5.50 (# 1375:25 Unique 2.38, 3.11 A)
&rst
ixpk= 1375, nxpk= 25, iat= 648, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 652, 653, 654, 656, 657, 658,
&end
#
# 11 ILE QD1 31 MET HA 5.50 (# 1376:25 Unique 3.35, 4.78 A)
&rst
ixpk= 1376, nxpk= 25, iat= -1, 447, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 156, 157, 158,
&end
#
# 56 ILE QG2 57 MET HA 5.50 (# 1378:25 Unique 3.73, 4.76 A)
&rst
ixpk= 1378, nxpk= 25, iat= -1, 862, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 847, 848, 849,
&end
#
# 25 CYS HN 20 CYS HA 5.50 (# 1379:25 Unique 2.50, 2.95 A)
&rst
ixpk= 1379, nxpk= 25, iat= 363, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 CYS HN 20 CYS HA 4.50 (# 1380:25 Unique 2.80, 2.83 A)
&rst
ixpk= 1380, nxpk= 25, iat= 280, 282, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 SER HB- 33 SER HA 3.50 (# 1381:25 Unique 2.50, 2.83 A)
&rst
ixpk= 1381, nxpk= 25, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 480, 481,
&end
#
# 33 SER HB+ 33 SER HA 3.50 (# 1382:25 Unique 2.50, 2.83 A)
&rst
ixpk= 1382, nxpk= 25, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 480, 481,
&end
#
# 44 ALA HN 33 SER HB+ 5.50 (# 1383:25 Unique 3.07, 3.65 A)
&rst
ixpk= 1383, nxpk= 25, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 480, 481,
&end
#
# 33 SER HN 33 SER HB+ 5.50 (# 1384:25 Unique 2.07, 2.77 A)
&rst
ixpk= 1384, nxpk= 25, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 480, 481,
&end
#
# 34 LEU HN 33 SER HB+ 5.50 (# 1385:25 Unique 3.21, 3.55 A)
&rst
ixpk= 1385, nxpk= 25, iat= 487, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 480, 481,
&end
#
# 44 ALA HN 33 SER HB- 7.00 (# 1386:25 Unique 3.07, 3.65 A)
&rst
ixpk= 1386, nxpk= 25, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 480, 481,
&end
#
# 0 AMB 25-2:1389 0 AMB 25-1:1389 7.00 (# 1389:25 Double Ambig)
&rst
ixpk= 1389, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 624, 491, 492,
igr2= 480, 481, 480, 481,
&end
#
# 0 AMB 25-2:1391 34 LEU MDX 7.00 (# 1391:25 Single Ambig)
&rst
ixpk= 1391, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 445, 462,
igr2= 496, 497, 498, 500, 501, 502,
&end
#
# 25 CYS HB- 43 LEU MDY 7.00 (# 1392:25 Unique 2.36, 4.42 A)
&rst
ixpk= 1392, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 367, 368,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 0 AMB 25-2:1393 43 LEU MDY 7.00 (# 1393:25 Single Ambig)
&rst
ixpk= 1393, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
igr1= 328, 374,
igr2= 626, 627, 628, 630, 631, 632,
&end
#
# 38 ASP HN 0 AMB 25-1:1395 7.00 (# 1395:25 Single Ambig)
&rst
ixpk= 1395, nxpk= 25, iat= 545, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr2= 592, 593, 592, 593,
&end
#
# 23 PHE HE 0 AMB 25-1:1396 5.50 (# 1396:25 Single Ambig)
&rst
ixpk= 1396, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 338, 342,
igr2= 604, 605, 604, 605,
&end
#
# 43 LEU HG 0 AMB 25-1:1397 5.50 (# 1397:25 Single Ambig)
&rst
ixpk= 1397, nxpk= 25, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 604, 605, 604, 605,
&end
#
# 43 LEU HG 42 GLN HG+ 7.00 (# 1398:25 Unique 2.09, 2.79 A)
&rst
ixpk= 1398, nxpk= 25, iat= 624, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 607, 608,
&end
#
# 44 ALA HN 43 LEU HA 7.00 (# 1399:25 Unique 3.51, 3.53 A)
&rst
ixpk= 1399, nxpk= 25, iat= 636, 619, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 45 VAL MGY 44 ALA MB 5.50 (# 1400:25 Unique 3.31, 6.30 A)
&rst
ixpk= 1400, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 652, 653, 654, 656, 657, 658,
igr2= 640, 641, 642,
&end
#
# 34 LEU MDX 44 ALA MB 5.50 (# 1401:25 Unique 2.10, 5.13 A)
&rst
ixpk= 1401, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 496, 497, 498, 500, 501, 502,
igr2= 640, 641, 642,
&end
#
# 0 AMB 25-2:1402 44 ALA MB 4.50 (# 1402:25 Single Ambig)
&rst
ixpk= 1402, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 621, 622, 650,
igr2= 640, 641, 642,
&end
#
# 45 VAL HN 45 VAL HA 3.50 (# 1403:25 Unique 2.92, 2.92 A)
&rst
ixpk= 1403, nxpk= 25, iat= 646, 648, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ALA HN 45 VAL HA 5.50 (# 1404:25 Unique 3.56, 3.56 A)
&rst
ixpk= 1404, nxpk= 25, iat= 662, 648, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1405 45 VAL HA 4.50 (# 1405:25 Single Ambig)
&rst
ixpk= 1405, nxpk= 25, iat= -1, 648, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 697, 698, 697, 698,
&end
#
# 45 VAL HB 45 VAL HA 4.50 (# 1406:25 Unique 3.02, 3.02 A)
&rst
ixpk= 1406, nxpk= 25, iat= 650, 648, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 VAL MGY 45 VAL HA 2.80 (# 1407:25 Unique 2.38, 3.11 A)
&rst
ixpk= 1407, nxpk= 25, iat= -1, 648, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 652, 653, 654, 656, 657, 658,
&end
#
# 44 ALA MB 45 VAL MGY 4.50 (# 1408:25 Unique 3.31, 6.30 A)
&rst
ixpk= 1408, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 640, 641, 642,
igr2= 652, 653, 654, 656, 657, 658,
&end
#
# 45 VAL HB 45 VAL MGY 2.80 (# 1409:25 Unique 2.22, 2.63 A)
&rst
ixpk= 1409, nxpk= 25, iat= 650, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 652, 653, 654, 656, 657, 658,
&end
#
# 0 AMB 25-2:1410 45 VAL MGY 5.50 (# 1410:25 Single Ambig)
&rst
ixpk= 1410, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 575, 576, 578, 579,
igr2= 652, 653, 654, 656, 657, 658,
&end
#
# 45 VAL HA 45 VAL MGY 2.80 (# 1411:25 Unique 2.38, 3.11 A)
&rst
ixpk= 1411, nxpk= 25, iat= 648, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 652, 653, 654, 656, 657, 658,
&end
#
# 40 GLN HA 45 VAL MGY 3.50 (# 1412:25 Unique 2.16, 3.98 A)
&rst
ixpk= 1412, nxpk= 25, iat= 573, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 652, 653, 654, 656, 657, 658,
&end
#
# 46 ALA HN 45 VAL MGY 7.00 (# 1413:25 Unique 3.38, 4.35 A)
&rst
ixpk= 1413, nxpk= 25, iat= 662, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 652, 653, 654, 656, 657, 658,
&end
#
# 44 ALA HN 45 VAL MGY 7.00 (# 1414:25 Unique 4.21, 6.11 A)
&rst
ixpk= 1414, nxpk= 25, iat= 636, -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr2= 652, 653, 654, 656, 657, 658,
&end
#
# 0 AMB 25-2:1415 47 TYR HA 5.50 (# 1415:25 Single Ambig)
&rst
ixpk= 1415, nxpk= 25, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 693, 264,
&end
#
# 47 TYR HN 47 TYR HA 4.50 (# 1416:25 Unique 2.75, 2.76 A)
&rst
ixpk= 1416, nxpk= 25, iat= 672, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 TYR HD 47 TYR HA 4.50 (# 1417:25 Unique 2.55, 3.56 A)
&rst
ixpk= 1417, nxpk= 25, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 680, 689,
&end
#
# 47 TYR HB+ 47 TYR HA 4.50 (# 1418:25 Unique 2.37, 2.70 A)
&rst
ixpk= 1418, nxpk= 25, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 676, 677,
&end
#
# 47 TYR HB- 47 TYR HA 3.50 (# 1419:25 Unique 2.37, 2.70 A)
&rst
ixpk= 1419, nxpk= 25, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 676, 677,
&end
#
# 19 VAL MGY 47 TYR HA 2.80 (# 1420:25 Unique 2.00, 3.48 A)
&rst
ixpk= 1420, nxpk= 25, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 19 VAL MGX 47 TYR HA 5.50 (# 1421:25 Unique 2.00, 3.48 A)
&rst
ixpk= 1421, nxpk= 25, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 25-2:1422 47 TYR HA 4.50 (# 1422:25 Single Ambig)
&rst
ixpk= 1422, nxpk= 25, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 742, 743, 744, 758, 759,
&end
#
# 0 AMB 25-2:1423 47 TYR HA 4.50 (# 1423:25 Single Ambig)
&rst
ixpk= 1423, nxpk= 25, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 733, 714, 715,
&end
#
# 30 VAL MGX 47 TYR HA 7.00 (# 1424:25 Unique 3.76, 5.38 A)
&rst
ixpk= 1424, nxpk= 25, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
igr1= 435, 436, 437, 439, 440, 441,
&end
#
# 49 LEU HA 49 LEU MDX 3.50 (# 1426:25 Unique 2.16, 3.09 A)
&rst
ixpk= 1426, nxpk= 25, iat= 712, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 719, 720, 721, 723, 724, 725,
&end
#
# 49 LEU HB+ 49 LEU MDX 3.50 (# 1427:25 Unique 2.30, 3.48 A)
&rst
ixpk= 1427, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 714, 715,
igr2= 719, 720, 721, 723, 724, 725,
&end
#
# 0 AMB 25-2:1428 49 LEU MDX 2.80 (# 1428:25 Single Ambig)
&rst
ixpk= 1428, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 717, 714, 715,
igr2= 719, 720, 721, 723, 724, 725,
&end
#
# 49 LEU HA 53 ASN HA 7.00 (# 1430:25 Unique 5.57, 5.77 A)
&rst
ixpk= 1430, nxpk= 25, iat= 712, 781, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75, &end
#
# 10 VAL HN 9 ASN HA 4.50 (# 1433:25 Unique 3.46, 3.53 A)
&rst
ixpk= 1433, nxpk= 25, iat= 127, 115, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLN HA 59 GLN HG- 7.00 (# 1434:25 Unique 2.19, 3.09 A)
&rst
ixpk= 1434, nxpk= 25, iat= 893, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2= 898, 899,
&end
#
# 59 GLN HB+ 59 GLN HG- 3.50 (# 1435:25 Unique 2.27, 2.69 A)
&rst
ixpk= 1435, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 895, 896,
igr2= 898, 899,
&end
#
# 59 GLN HB- 59 GLN HG- 4.50 (# 1436:25 Unique 2.27, 2.69 A)
&rst
ixpk= 1436, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 895, 896,
igr2= 898, 899,
&end
#
# 61 SER HB- 61 SER HA 5.50 (# 1437:25 Unique 2.30, 2.58 A)
&rst
ixpk= 1437, nxpk= 25, iat= -1, 920, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 922, 923,
&end
#
# 61 SER HA 61 SER HB- 5.50 (# 1438:25 Unique 2.30, 2.58 A)
&rst
ixpk= 1438, nxpk= 25, iat= 920, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 922, 923,
&end
#
# 0 AMB 25-2:1439 0 AMB 25-1:1439 4.50 (# 1439:25 Double Ambig)
&rst
ixpk= 1439, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 936, 937, 936, 937, 936, 937,
igr2= 933, 934, 933, 934, 933, 934,
&end
#
# 24 GLU HN 46 ALA MB 7.00 (# 1441:25 Unique 7.29, 7.94 A)
&rst
ixpk= 1441, nxpk= 25, iat= 348, -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
igr2= 666, 667, 668,
&end
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