NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492135 |
2k3k   |
cing | 1-original | 11 | AMBER | distance | NOE | ambi |
# 70 GLN HE2+ 81 ILE HN 4.50 (# 0:10 Unique 2.13, 3.52 A)
&rst
ixpk= 0, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1162,1163,
&end
#
# 80 GLN HA 81 ILE HN 2.80 (# 1:10 Unique 2.17, 2.26 A)
&rst
ixpk= 1, nxpk= 10, iat=1316,1331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:2 81 ILE HN 5.50 (# 2:10 Single Ambig)
&rst
ixpk= 2, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1321,1322,1321,1322,
&end
#
# 81 ILE HB 81 ILE HN 3.50 (# 3:10 Unique 2.78, 2.93 A)
&rst
ixpk= 3, nxpk= 10, iat=1335,1331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ASP HN 38 LEU HN 3.50 (# 4:10 Unique 1.90, 2.00 A)
&rst
ixpk= 4, nxpk= 10, iat= 654, 635, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LEU HA 38 LEU HN 4.50 (# 5:10 Unique 2.79, 2.95 A)
&rst
ixpk= 5, nxpk= 10, iat= 637, 635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ILE HA 38 LEU HN 3.50 (# 6:10 Unique 2.04, 2.23 A)
&rst
ixpk= 6, nxpk= 10, iat= 618, 635, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LEU HB+ 38 LEU HN 3.50 (# 7:10 Unique 2.10, 2.77 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 639, 640,
&end
#
# 38 LEU HB- 38 LEU HN 3.50 (# 8:10 Unique 2.10, 2.77 A)
&rst
ixpk= 8, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 639, 640,
&end
#
# 0 AMB 10-2:9 38 LEU HN 3.50 (# 9:10 Single Ambig)
&rst
ixpk= 9, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 924, 925, 926, 644, 645, 646, 648, 649, 650,
&end
#
# 37 ILE QG2 38 LEU HN 3.50 (# 10:10 Unique 2.42, 3.19 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 622, 623, 624,
&end
#
# 0 AMB 10-2:11 81 ILE HN 4.50 (# 11:10 Single Ambig)
&rst
ixpk= 11, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1344,1345,1346, 181, 182,
&end
#
# 82 ALA HN 10 TYR HN 4.50 (# 12:10 Unique 2.66, 2.87 A)
&rst
ixpk= 12, nxpk= 10, iat=1350, 150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:14 10 TYR HN 2.80 (# 14:10 Single Ambig)
&rst
ixpk= 14, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 154, 155, 154, 155,
&end
#
# 9 ILE HB 10 TYR HN 3.50 (# 15:10 Unique 2.17, 2.50 A)
&rst
ixpk= 15, nxpk= 10, iat= 135, 150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:16 10 TYR HN 3.50 (# 16:10 Single Ambig)
&rst
ixpk= 16, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 137, 138, 139, 181, 182,
&end
#
# 9 ILE HA 10 TYR HN 2.80 (# 17:10 Unique 2.04, 2.31 A)
&rst
ixpk= 17, nxpk= 10, iat= 133, 150, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:18 10 TYR HN 5.50 (# 18:10 Single Ambig)
&rst
ixpk= 18, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 158, 167, 160, 165,
&end
#
# 22 GLU HN 21 GLU HN 5.50 (# 19:10 Unique 2.73, 2.82 A)
&rst
ixpk= 19, nxpk= 10, iat= 366, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLU HA 21 GLU HN 3.50 (# 21:10 Unique 2.79, 2.83 A)
&rst
ixpk= 21, nxpk= 10, iat= 353, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:22 21 GLU HN 2.80 (# 22:10 Single Ambig)
&rst
ixpk= 22, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 355, 356, 355, 356, 311, 312,
&end
#
# 0 AMB 10-2:23 21 GLU HN 4.50 (# 23:10 Single Ambig)
&rst
ixpk= 23, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 333, 334, 311, 312,
&end
#
# 21 GLU HG+ 21 GLU HN 5.50 (# 24:10 Unique 4.22, 4.41 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 358, 359,
&end
#
# 14 LEU HG 15 ASN HN 5.50 (# 25:10 Unique 3.27, 3.78 A)
&rst
ixpk= 25, nxpk= 10, iat= 225, 237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 LEU HB- 15 ASN HN 5.50 (# 26:10 Unique 2.59, 3.72 A)
&rst
ixpk= 26, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 222, 223,
&end
#
# 15 ASN HB+ 15 ASN HN 3.50 (# 27:10 Unique 2.25, 2.65 A)
&rst
ixpk= 27, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 241, 242,
&end
#
# 15 ASN HB- 15 ASN HN 3.50 (# 28:10 Unique 2.25, 2.65 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 241, 242,
&end
#
# 15 ASN HA 15 ASN HN 3.50 (# 29:10 Unique 2.85, 2.93 A)
&rst
ixpk= 29, nxpk= 10, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 LEU HA 15 ASN HN 2.80 (# 30:10 Unique 2.05, 2.37 A)
&rst
ixpk= 30, nxpk= 10, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:31 15 ASN HN 5.50 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 279, 280, 279, 280,
&end
#
# 16 GLU HB+ 16 GLU HN 3.50 (# 32:10 Unique 2.28, 2.98 A)
&rst
ixpk= 32, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 0 AMB 10-2:33 16 GLU HN 3.50 (# 33:10 Single Ambig)
&rst
ixpk= 33, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 258, 259, 255, 256,
&end
#
# 16 GLU HG+ 16 GLU HN 4.50 (# 34:10 Unique 2.08, 3.20 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 258, 259,
&end
#
# 0 AMB 10-2:35 16 GLU HN 4.50 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 253, 850, 851,
&end
#
# 15 ASN HA 16 GLU HN 2.80 (# 36:10 Unique 1.85, 2.10 A)
&rst
ixpk= 36, nxpk= 10, iat= 239, 251, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:37 16 GLU HN 5.50 (# 37:10 Single Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 220, 826,
&end
#
# 17 LYS HN 16 GLU HN 4.50 (# 38:10 Unique 3.03, 3.29 A)
&rst
ixpk= 38, nxpk= 10, iat= 266, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 TYR HA 75 TYR HN 4.50 (# 39:10 Unique 2.80, 2.91 A)
&rst
ixpk= 39, nxpk= 10, iat=1230,1228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:40 75 TYR HN 3.50 (# 40:10 Single Ambig)
&rst
ixpk= 40, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1210,1293,
&end
#
# 0 AMB 10-2:41 75 TYR HN 5.50 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1308,1309,1310,1290,1291,
&end
#
# 77 LYS HB- 75 TYR HN 5.50 (# 42:10 Unique 2.89, 4.87 A)
&rst
ixpk= 42, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1265,1266,
&end
#
# 79 MET HB+ 75 TYR HN 7.00 (# 43:10 Unique 6.27, 7.11 A)
&rst
ixpk= 43, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1301,1302,
&end
#
# 49 ARG HA 50 GLY HN 4.50 (# 44:10 Unique 3.47, 3.57 A)
&rst
ixpk= 44, nxpk= 10, iat= 826, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLY HA+ 50 GLY HN 4.50 (# 46:10 Unique 2.07, 2.68 A)
&rst
ixpk= 46, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:47 82 ALA HN 3.50 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1352, 173,
&end
#
# 81 ILE HA 82 ALA HN 2.80 (# 48:10 Unique 1.95, 2.26 A)
&rst
ixpk= 48, nxpk= 10, iat=1333,1350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 ALA QB 82 ALA HN 3.50 (# 49:10 Unique 2.74, 3.43 A)
&rst
ixpk= 49, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1354,1355,1356,
&end
#
# 81 ILE QG2 82 ALA HN 3.50 (# 50:10 Unique 1.83, 2.94 A)
&rst
ixpk= 50, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1337,1338,1339,
&end
#
# 0 AMB 10-2:51 82 ALA HN 4.50 (# 51:10 Single Ambig)
&rst
ixpk= 51, nxpk= 10, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1344,1345,1346, 137, 138, 139,
&end
#
# 10 TYR HN 82 ALA HN 4.50 (# 52:10 Unique 2.66, 2.87 A)
&rst
ixpk= 52, nxpk= 10, iat= 150,1350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:53 27 LEU HN 3.50 (# 53:10 Single Ambig)
&rst
ixpk= 53, nxpk= 10, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 464, 465, 466, 468, 469, 470,
&end
#
# 27 LEU HB- 27 LEU HN 5.50 (# 54:10 Unique 2.22, 2.94 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 459, 460,
&end
#
# 27 LEU HG 27 LEU HN 3.50 (# 55:10 Unique 2.47, 2.66 A)
&rst
ixpk= 55, nxpk= 10, iat= 462, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LEU HB+ 27 LEU HN 3.50 (# 56:10 Unique 2.22, 2.94 A)
&rst
ixpk= 56, nxpk= 10, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 459, 460,
&end
#
# 0 AMB 10-2:57 27 LEU HN 5.50 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 402, 476,
&end
#
# 0 AMB 10-2:58 27 LEU HN 4.50 (# 58:10 Single Ambig)
&rst
ixpk= 58, nxpk= 10, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 457, 424,
&end
#
# 26 SER HA 27 LEU HN 3.50 (# 59:10 Unique 3.56, 3.58 A)
&rst
ixpk= 59, nxpk= 10, iat= 446, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 SER HN 27 LEU HN 3.50 (# 60:10 Unique 2.53, 2.77 A)
&rst
ixpk= 60, nxpk= 10, iat= 444, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 LYS HA 20 LYS HN 3.50 (# 62:10 Unique 2.00, 2.36 A)
&rst
ixpk= 62, nxpk= 10, iat= 309, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:63 20 LYS HN 4.50 (# 63:10 Single Ambig)
&rst
ixpk= 63, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 311, 312, 333, 334,
&end
#
# 19 LYS HG- 20 LYS HN 4.50 (# 64:10 Unique 2.20, 3.00 A)
&rst
ixpk= 64, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 314, 315,
&end
#
# 20 LYS HB+ 20 LYS HN 5.50 (# 65:10 Unique 2.25, 2.55 A)
&rst
ixpk= 65, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 333, 334,
&end
#
# 37 ILE QD1 37 ILE HN 5.50 (# 66:10 Unique 2.88, 4.17 A)
&rst
ixpk= 66, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 629, 630, 631,
&end
#
# 37 ILE HB 37 ILE HN 3.50 (# 67:10 Unique 2.17, 2.35 A)
&rst
ixpk= 67, nxpk= 10, iat= 620, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 GLN HB+ 37 ILE HN 5.50 (# 68:10 Unique 4.15, 4.34 A)
&rst
ixpk= 68, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 603, 604,
&end
#
# 36 GLN HG- 37 ILE HN 4.50 (# 69:10 Unique 3.46, 4.28 A)
&rst
ixpk= 69, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 606, 607,
&end
#
# 37 ILE HA 37 ILE HN 4.50 (# 71:10 Unique 2.56, 2.83 A)
&rst
ixpk= 71, nxpk= 10, iat= 618, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 GLN HN 37 ILE HN 4.50 (# 72:10 Unique 3.58, 4.14 A)
&rst
ixpk= 72, nxpk= 10, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 GLN HA 37 ILE HN 2.80 (# 73:10 Unique 2.01, 2.08 A)
&rst
ixpk= 73, nxpk= 10, iat= 601, 616, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 GLN HB- 37 ILE HN 5.50 (# 74:10 Unique 4.15, 4.34 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 603, 604,
&end
#
# 0 AMB 10-2:76 0 AMB 10-1:76 5.50 (# 76:10 Double Ambig)
&rst
ixpk= 76, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 872, 131, 902,
igr2= 171, 937,
&end
#
# 56 PHE QD 56 PHE HN 3.50 (# 77:10 Unique 2.30, 3.90 A)
&rst
ixpk= 77, nxpk= 10, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 945, 953,
&end
#
# 10 TYR HA 11 ILE HN 2.80 (# 78:10 Unique 2.00, 2.18 A)
&rst
ixpk= 78, nxpk= 10, iat= 152, 171, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 PHE HA 56 PHE HN 4.50 (# 79:10 Unique 2.80, 2.99 A)
&rst
ixpk= 79, nxpk= 10, iat= 939, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE HA 56 PHE HN 2.80 (# 80:10 Unique 2.16, 2.28 A)
&rst
ixpk= 80, nxpk= 10, iat= 920, 937, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 PHE HB- 56 PHE HN 3.50 (# 81:10 Unique 2.22, 3.12 A)
&rst
ixpk= 81, nxpk= 10, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 941, 942,
&end
#
# 56 PHE HB+ 56 PHE HN 3.50 (# 82:10 Unique 2.22, 3.12 A)
&rst
ixpk= 82, nxpk= 10, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 941, 942,
&end
#
# 11 ILE HB 11 ILE HN 3.50 (# 83:10 Unique 2.23, 2.37 A)
&rst
ixpk= 83, nxpk= 10, iat= 175, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:84 11 ILE HN 3.50 (# 84:10 Single Ambig)
&rst
ixpk= 84, nxpk= 10, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 181, 182, 141, 142,
&end
#
# 0 AMB 10-2:85 0 AMB 10-1:85 3.50 (# 85:10 Double Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 181, 182, 924, 925, 926,
igr2= 171, 937,
&end
#
# 60 GLY HA+ 60 GLY HN 4.50 (# 86:10 Unique 1.85, 2.58 A)
&rst
ixpk= 86, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1015,1016,
&end
#
# 60 GLY HA- 60 GLY HN 3.50 (# 87:10 Unique 1.85, 2.58 A)
&rst
ixpk= 87, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1015,1016,
&end
#
# 0 AMB 10-2:89 60 GLY HN 4.50 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 998,1035,1036,1037,
&end
#
# 61 SER HN 60 GLY HN 4.50 (# 90:10 Unique 2.23, 2.58 A)
&rst
ixpk= 90, nxpk= 10, iat=1020,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 GLU HB+ 60 GLY HN 5.50 (# 91:10 Unique 2.35, 3.58 A)
&rst
ixpk= 91, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 983, 984,
&end
#
# 27 LEU HN 26 SER HN 3.50 (# 92:10 Unique 2.53, 2.77 A)
&rst
ixpk= 92, nxpk= 10, iat= 455, 444, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:93 26 SER HN 3.50 (# 93:10 Single Ambig)
&rst
ixpk= 93, nxpk= 10, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 426, 427, 426, 427,
&end
#
# 26 SER HA 26 SER HN 3.50 (# 94:10 Unique 2.81, 2.84 A)
&rst
ixpk= 94, nxpk= 10, iat= 446, 444, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 LEU QD1 26 SER HN 5.50 (# 95:10 Unique 5.32, 6.40 A)
&rst
ixpk= 95, nxpk= 10, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 390, 391, 392,
&end
#
# 25 LYS HN 26 SER HN 4.50 (# 96:10 Unique 2.78, 2.85 A)
&rst
ixpk= 96, nxpk= 10, iat= 422, 444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:97 26 SER HN 5.50 (# 97:10 Single Ambig)
&rst
ixpk= 97, nxpk= 10, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 424, 368, 457,
&end
#
# 11 ILE HA 12 ASN HN 3.50 (# 98:10 Unique 2.16, 2.23 A)
&rst
ixpk= 98, nxpk= 10, iat= 173, 190, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 ILE QG2 12 ASN HN 5.50 (# 99:10 Unique 2.25, 3.54 A)
&rst
ixpk= 99, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 177, 178, 179,
&end
#
# 11 ILE HN 53 PHE HN 5.50 (# 100:10 Unique 4.77, 5.02 A)
&rst
ixpk= 100, nxpk= 10, iat= 171, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 PHE QD 53 PHE HN 3.50 (# 101:10 Unique 3.24, 4.10 A)
&rst
ixpk= 101, nxpk= 10, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 890, 898,
&end
#
# 52 ALA HA 53 PHE HN 2.80 (# 102:10 Unique 2.01, 2.31 A)
&rst
ixpk= 102, nxpk= 10, iat= 874, 882, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:104 53 PHE HN 3.50 (# 104:10 Single Ambig)
&rst
ixpk= 104, nxpk= 10, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 886, 887, 886, 887,
&end
#
# 41 VAL HB 53 PHE HN 3.50 (# 105:10 Unique 2.85, 3.15 A)
&rst
ixpk= 105, nxpk= 10, iat= 689, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 ALA QB 53 PHE HN 2.80 (# 106:10 Unique 2.56, 3.52 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 876, 877, 878,
&end
#
# 53 PHE HA 53 PHE HN 5.50 (# 107:10 Unique 2.91, 2.98 A)
&rst
ixpk= 107, nxpk= 10, iat= 884, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 GLU HA 59 ILE HN 2.80 (# 109:10 Unique 2.22, 2.36 A)
&rst
ixpk= 109, nxpk= 10, iat= 981, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 ILE HA 59 ILE HN 3.50 (# 110:10 Unique 2.81, 2.84 A)
&rst
ixpk= 110, nxpk= 10, iat= 996, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:111 59 ILE HN 3.50 (# 111:10 Single Ambig)
&rst
ixpk= 111, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 986, 987, 983, 984,
&end
#
# 0 AMB 10-2:112 59 ILE HN 5.50 (# 112:10 Single Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 983, 984, 104, 105,
&end
#
# 59 ILE HG1+ 59 ILE HN 2.80 (# 113:10 Unique 1.67, 2.82 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1004,1005,
&end
#
# 59 ILE HG1- 59 ILE HN 3.50 (# 114:10 Unique 1.67, 2.82 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1004,1005,
&end
#
# 0 AMB 10-2:115 26 SER HN 5.50 (# 115:10 Single Ambig)
&rst
ixpk= 115, nxpk= 10, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 448, 449, 448, 449,
&end
#
# 19 LYS HA 19 LYS HN 3.50 (# 117:10 Unique 2.86, 2.89 A)
&rst
ixpk= 117, nxpk= 10, iat= 309, 307, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ILE HA 19 LYS HN 2.80 (# 118:10 Unique 1.94, 2.17 A)
&rst
ixpk= 118, nxpk= 10, iat= 290, 307, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 LYS HB+ 19 LYS HN 3.50 (# 119:10 Unique 2.36, 2.59 A)
&rst
ixpk= 119, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 311, 312,
&end
#
# 19 LYS HB- 19 LYS HN 3.50 (# 120:10 Unique 2.36, 2.59 A)
&rst
ixpk= 120, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 311, 312,
&end
#
# 19 LYS HG+ 19 LYS HN 4.50 (# 121:10 Unique 2.35, 4.22 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 314, 315,
&end
#
# 18 ILE HB 19 LYS HN 7.00 (# 122:10 Unique 4.02, 4.31 A)
&rst
ixpk= 122, nxpk= 10, iat= 292, 307, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 ILE QG2 19 LYS HN 4.50 (# 123:10 Unique 3.00, 3.72 A)
&rst
ixpk= 123, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 294, 295, 296,
&end
#
# 18 ILE QD1 19 LYS HN 5.50 (# 124:10 Unique 3.66, 4.86 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 301, 302, 303,
&end
#
# 40 ILE HA 41 VAL HN 3.50 (# 125:10 Unique 2.01, 2.28 A)
&rst
ixpk= 125, nxpk= 10, iat= 668, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:126 41 VAL HN 5.50 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 687, 904,
&end
#
# 0 AMB 10-2:127 41 VAL HN 3.50 (# 127:10 Single Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 689, 670, 676, 677, 676, 677,
&end
#
# 0 AMB 10-2:128 41 VAL HN 2.80 (# 128:10 Single Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 691, 692, 693, 695, 696, 697, 672, 673, 674,
&end
#
# 9 ILE QD1 9 ILE HN 4.50 (# 129:10 Unique 4.34, 4.88 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 144, 145, 146,
&end
#
# 9 ILE QG2 9 ILE HN 3.50 (# 130:10 Unique 2.50, 3.62 A)
&rst
ixpk= 130, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 137, 138, 139,
&end
#
# 8 THR QG2 9 ILE HN 3.50 (# 131:10 Unique 2.43, 3.34 A)
&rst
ixpk= 131, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 123, 124, 125,
&end
#
# 9 ILE HG1- 9 ILE HN 3.50 (# 132:10 Unique 2.32, 3.06 A)
&rst
ixpk= 132, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 141, 142,
&end
#
# 9 ILE HG1+ 9 ILE HN 3.50 (# 133:10 Unique 2.32, 3.06 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 141, 142,
&end
#
# 8 THR HA 9 ILE HN 2.80 (# 134:10 Unique 2.12, 2.26 A)
&rst
ixpk= 134, nxpk= 10, iat= 119, 131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 PHE QD 9 ILE HN 5.50 (# 135:10 Unique 3.37, 5.92 A)
&rst
ixpk= 135, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 945, 953,
&end
#
# 55 ILE HA 9 ILE HN 4.50 (# 136:10 Unique 3.55, 3.77 A)
&rst
ixpk= 136, nxpk= 10, iat= 920, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:138 9 ILE HN 5.50 (# 138:10 Single Ambig)
&rst
ixpk= 138, nxpk= 10, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 937, 171,
&end
#
# 54 VAL HB 54 VAL HN 4.50 (# 139:10 Unique 3.32, 3.56 A)
&rst
ixpk= 139, nxpk= 10, iat= 906, 902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:140 54 VAL HN 3.50 (# 140:10 Single Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 886, 887, 886, 887,
&end
#
# 53 PHE HA 54 VAL HN 2.80 (# 141:10 Unique 2.09, 2.24 A)
&rst
ixpk= 141, nxpk= 10, iat= 884, 902, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 PHE QD 54 VAL HN 5.50 (# 142:10 Unique 3.54, 5.08 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 890, 898,
&end
#
# 54 VAL QG- 54 VAL HN 3.50 (# 143:10 Unique 2.45, 4.03 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 908, 909, 910, 912, 913, 914,
&end
#
# 54 VAL HA 54 VAL HN 5.50 (# 144:10 Unique 2.90, 2.94 A)
&rst
ixpk= 144, nxpk= 10, iat= 904, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ILE HN 52 ALA HN 3.50 (# 145:10 Unique 2.78, 3.08 A)
&rst
ixpk= 145, nxpk= 10, iat= 171, 872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 GLN HA 52 ALA HN 2.80 (# 147:10 Unique 2.31, 2.48 A)
&rst
ixpk= 147, nxpk= 10, iat= 857, 872, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 ALA HA 52 ALA HN 4.50 (# 148:10 Unique 2.72, 2.91 A)
&rst
ixpk= 148, nxpk= 10, iat= 874, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ASN HA 52 ALA HN 4.50 (# 149:10 Unique 3.78, 4.01 A)
&rst
ixpk= 149, nxpk= 10, iat= 192, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:150 52 ALA HN 4.50 (# 150:10 Single Ambig)
&rst
ixpk= 150, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 862, 863, 859, 860, 859, 860,
&end
#
# 48 MET QE 52 ALA HN 3.50 (# 151:10 Unique 3.36, 4.31 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 818, 819, 820,
&end
#
# 11 ILE HB 52 ALA HN 4.50 (# 153:10 Unique 2.56, 2.77 A)
&rst
ixpk= 153, nxpk= 10, iat= 175, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ALA QB 52 ALA HN 3.50 (# 154:10 Unique 2.41, 3.48 A)
&rst
ixpk= 154, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 876, 877, 878,
&end
#
# 0 AMB 10-2:155 52 ALA HN 3.50 (# 155:10 Single Ambig)
&rst
ixpk= 155, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 53 PHE HN 42 ALA HN 5.50 (# 156:10 Unique 4.99, 5.05 A)
&rst
ixpk= 156, nxpk= 10, iat= 882, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HA 42 ALA HN 2.80 (# 158:10 Unique 2.00, 2.13 A)
&rst
ixpk= 158, nxpk= 10, iat= 687, 701, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 ALA QB 42 ALA HN 3.50 (# 159:10 Unique 2.65, 3.39 A)
&rst
ixpk= 159, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 705, 706, 707,
&end
#
# 0 AMB 10-2:160 42 ALA HN 3.50 (# 160:10 Single Ambig)
&rst
ixpk= 160, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 691, 692, 693, 695, 696, 697, 390, 391, 392,
&end
#
# 0 AMB 10-2:161 42 ALA HN 4.50 (# 161:10 Single Ambig)
&rst
ixpk= 161, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 691, 692, 693, 695, 696, 697, 672, 673, 674,
&end
#
# 0 AMB 10-2:162 42 ALA HN 5.50 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 339, 340, 715, 716,
&end
#
# 0 AMB 10-2:163 79 MET HN 3.50 (# 163:10 Single Ambig)
&rst
ixpk= 163, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1293,1169,1170,
&end
#
# 79 MET HB+ 79 MET HN 5.50 (# 164:10 Unique 1.97, 2.96 A)
&rst
ixpk= 164, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1301,1302,
&end
#
# 79 MET HB- 79 MET HN 5.50 (# 165:10 Unique 1.97, 2.96 A)
&rst
ixpk= 165, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1301,1302,
&end
#
# 71 GLY HA- 71 GLY HN 3.50 (# 167:10 Unique 2.26, 2.59 A)
&rst
ixpk= 167, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1169,1170,
&end
#
# 70 GLN HA 71 GLY HN 3.50 (# 168:10 Unique 1.97, 2.19 A)
&rst
ixpk= 168, nxpk= 10, iat=1152,1167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLY HA+ 71 GLY HN 3.50 (# 169:10 Unique 2.26, 2.59 A)
&rst
ixpk= 169, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1169,1170,
&end
#
# 0 AMB 10-2:170 71 GLY HN 4.50 (# 170:10 Single Ambig)
&rst
ixpk= 170, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1154,1155,1290,1291,
&end
#
# 14 LEU HN 13 ASN HN 3.50 (# 171:10 Unique 2.25, 2.69 A)
&rst
ixpk= 171, nxpk= 10, iat= 218, 204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 ASN HA 13 ASN HN 3.50 (# 172:10 Unique 2.45, 2.96 A)
&rst
ixpk= 172, nxpk= 10, iat= 192, 204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 GLN HA 13 ASN HN 5.50 (# 174:10 Unique 3.84, 4.17 A)
&rst
ixpk= 174, nxpk= 10, iat= 857, 204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN HA 13 ASN HN 2.80 (# 175:10 Unique 2.21, 2.68 A)
&rst
ixpk= 175, nxpk= 10, iat= 206, 204, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 ASN HB+ 13 ASN HN 4.50 (# 176:10 Unique 2.19, 3.98 A)
&rst
ixpk= 176, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 194, 195,
&end
#
# 0 AMB 10-2:177 13 ASN HN 4.50 (# 177:10 Single Ambig)
&rst
ixpk= 177, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 862, 863, 859, 860, 859, 860,1321,1322,
&end
#
# 57 LYS HN 58 GLU HN 3.50 (# 178:10 Unique 2.64, 2.90 A)
&rst
ixpk= 178, nxpk= 10, iat= 957, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 GLU HA 58 GLU HN 3.50 (# 180:10 Unique 2.76, 2.93 A)
&rst
ixpk= 180, nxpk= 10, iat= 981, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 LYS HA 58 GLU HN 4.50 (# 181:10 Unique 3.38, 3.54 A)
&rst
ixpk= 181, nxpk= 10, iat= 959, 979, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE HB- 58 GLU HN 3.50 (# 182:10 Unique 2.79, 3.11 A)
&rst
ixpk= 182, nxpk= 10, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 941, 942,
&end
#
# 56 PHE HB+ 58 GLU HN 4.50 (# 183:10 Unique 2.79, 3.11 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 941, 942,
&end
#
# 0 AMB 10-2:184 58 GLU HN 2.80 (# 184:10 Single Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 983, 984, 986, 987,
&end
#
# 0 AMB 10-2:185 58 GLU HN 2.80 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 983, 984, 104, 105,
&end
#
# 57 LYS HB- 58 GLU HN 4.50 (# 186:10 Unique 3.09, 4.09 A)
&rst
ixpk= 186, nxpk= 10, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 961, 962,
&end
#
# 0 AMB 10-2:188 28 TYR HN 5.50 (# 188:10 Single Ambig)
&rst
ixpk= 188, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 457, 424,
&end
#
# 28 TYR HB- 28 TYR HN 4.50 (# 189:10 Unique 1.94, 2.73 A)
&rst
ixpk= 189, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 478, 479,
&end
#
# 27 LEU HB+ 28 TYR HN 5.50 (# 190:10 Unique 2.51, 2.97 A)
&rst
ixpk= 190, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 459, 460,
&end
#
# 0 AMB 10-2:191 40 ILE HN 2.80 (# 191:10 Single Ambig)
&rst
ixpk= 191, nxpk= 10, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 656, 668,
&end
#
# 39 ASP HB+ 40 ILE HN 5.50 (# 192:10 Unique 3.08, 3.71 A)
&rst
ixpk= 192, nxpk= 10, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 658, 659,
&end
#
# 39 ASP HB- 40 ILE HN 4.50 (# 193:10 Unique 3.08, 3.71 A)
&rst
ixpk= 193, nxpk= 10, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 658, 659,
&end
#
# 0 AMB 10-2:194 40 ILE HN 3.50 (# 194:10 Single Ambig)
&rst
ixpk= 194, nxpk= 10, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 670, 676, 677, 676, 677,
&end
#
# 0 AMB 10-2:195 40 ILE HN 3.50 (# 195:10 Single Ambig)
&rst
ixpk= 195, nxpk= 10, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 691, 692, 693, 695, 696, 697, 672, 673, 674, 679,
680, 681,
&end
#
# 3 MET HA 3 MET HN 3.50 (# 197:10 Unique 2.07, 2.81 A)
&rst
ixpk= 197, nxpk= 10, iat= 38, 36, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 ALA HA 3 MET HN 7.00 (# 198:10 Unique 5.58, 6.69 A)
&rst
ixpk= 198, nxpk= 10, iat=1352, 36, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 GLU HA 3 MET HN 3.50 (# 199:10 Unique 2.18, 2.54 A)
&rst
ixpk= 199, nxpk= 10, iat= 23, 36, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:200 3 MET HN 3.50 (# 200:10 Single Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 40, 41, 40, 41,
&end
#
# 7 GLN HG- 7 GLN HN 5.50 (# 201:10 Unique 2.67, 4.41 A)
&rst
ixpk= 201, nxpk= 10, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 107, 108,
&end
#
# 0 AMB 10-2:202 7 GLN HN 3.50 (# 202:10 Single Ambig)
&rst
ixpk= 202, nxpk= 10, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 90, 91, 90, 91,
&end
#
# 7 GLN HG+ 7 GLN HN 5.50 (# 203:10 Unique 2.67, 4.41 A)
&rst
ixpk= 203, nxpk= 10, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 107, 108,
&end
#
# 7 GLN HA 7 GLN HN 4.50 (# 204:10 Unique 2.20, 2.80 A)
&rst
ixpk= 204, nxpk= 10, iat= 102, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLU HN 23 LEU HN 3.50 (# 206:10 Unique 2.54, 2.62 A)
&rst
ixpk= 206, nxpk= 10, iat= 366, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 GLU HA 23 LEU HN 5.50 (# 207:10 Unique 3.56, 3.58 A)
&rst
ixpk= 207, nxpk= 10, iat= 368, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU HA 23 LEU HN 3.50 (# 208:10 Unique 2.83, 2.85 A)
&rst
ixpk= 208, nxpk= 10, iat= 383, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:209 23 LEU HN 3.50 (# 209:10 Single Ambig)
&rst
ixpk= 209, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 331, 290,
&end
#
# 0 AMB 10-2:210 23 LEU HN 3.50 (# 210:10 Single Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 370, 371, 311, 312,
&end
#
# 23 LEU HB+ 23 LEU HN 3.50 (# 211:10 Unique 1.86, 2.40 A)
&rst
ixpk= 211, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 385, 386,
&end
#
# 23 LEU HB- 23 LEU HN 2.80 (# 212:10 Unique 1.86, 2.40 A)
&rst
ixpk= 212, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 385, 386,
&end
#
# 18 ILE QG2 23 LEU HN 3.50 (# 213:10 Unique 2.58, 3.42 A)
&rst
ixpk= 213, nxpk= 10, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 294, 295, 296,
&end
#
# 0 AMB 10-2:214 84 SER HN 5.50 (# 214:10 Single Ambig)
&rst
ixpk= 214, nxpk= 10, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1368,1377, 892, 896,
&end
#
# 9 ILE HA 84 SER HN 4.50 (# 215:10 Unique 2.18, 2.56 A)
&rst
ixpk= 215, nxpk= 10, iat= 133,1381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 SER HA 84 SER HN 3.50 (# 217:10 Unique 2.80, 2.87 A)
&rst
ixpk= 217, nxpk= 10, iat=1383,1381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 SER HB+ 84 SER HN 3.50 (# 218:10 Unique 2.04, 3.06 A)
&rst
ixpk= 218, nxpk= 10, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1385,1386,
&end
#
# 83 TYR HB+ 84 SER HN 5.50 (# 219:10 Unique 2.62, 3.50 A)
&rst
ixpk= 219, nxpk= 10, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1364,1365,
&end
#
# 0 AMB 10-2:220 84 SER HN 4.50 (# 220:10 Single Ambig)
&rst
ixpk= 220, nxpk= 10, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1364,1365, 154, 155, 154, 155,
&end
#
# 9 ILE QG2 84 SER HN 5.50 (# 221:10 Unique 3.61, 5.17 A)
&rst
ixpk= 221, nxpk= 10, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 137, 138, 139,
&end
#
# 101 ARG HA 103 LYS HN 5.50 (# 228:10 Unique 3.36, 4.35 A)
&rst
ixpk= 228, nxpk= 10, iat=1648,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 PRO HA 103 LYS HN 3.50 (# 229:10 Unique 2.17, 3.27 A)
&rst
ixpk= 229, nxpk= 10, iat=1680,1684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ARG HB- 103 LYS HN 4.50 (# 230:10 Unique 2.29, 4.03 A)
&rst
ixpk= 230, nxpk= 10, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1650,1651,
&end
#
# 0 AMB 10-2:231 31 PHE HN 5.50 (# 231:10 Single Ambig)
&rst
ixpk= 231, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 580, 588, 572, 592,
&end
#
# 31 PHE HB- 31 PHE HN 3.50 (# 232:10 Unique 2.02, 2.95 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 528, 529,
&end
#
# 31 PHE HB+ 31 PHE HN 3.50 (# 233:10 Unique 2.02, 2.95 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 528, 529,
&end
#
# 30 ILE HB 31 PHE HN 3.50 (# 234:10 Unique 2.35, 3.42 A)
&rst
ixpk= 234, nxpk= 10, iat= 509, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ILE QD1 31 PHE HN 4.50 (# 235:10 Unique 3.94, 5.01 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 629, 630, 631,
&end
#
# 31 PHE QD 31 PHE HN 5.50 (# 236:10 Unique 2.02, 3.92 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 532, 540,
&end
#
# 31 PHE HA 31 PHE HN 5.50 (# 237:10 Unique 2.80, 2.88 A)
&rst
ixpk= 237, nxpk= 10, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HG1- 31 PHE HN 5.50 (# 238:10 Unique 2.14, 3.51 A)
&rst
ixpk= 238, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 515, 516,
&end
#
# 30 ILE HG1+ 31 PHE HN 5.50 (# 239:10 Unique 2.14, 3.51 A)
&rst
ixpk= 239, nxpk= 10, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 515, 516,
&end
#
# 0 AMB 10-2:240 72 PHE HN 3.50 (# 240:10 Single Ambig)
&rst
ixpk= 240, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1167,1297,
&end
#
# 72 PHE QD 72 PHE HN 4.50 (# 241:10 Unique 3.43, 4.70 A)
&rst
ixpk= 241, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1182,1190,
&end
#
# 72 PHE HA 72 PHE HN 3.50 (# 242:10 Unique 2.85, 2.87 A)
&rst
ixpk= 242, nxpk= 10, iat=1176,1174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:243 72 PHE HN 3.50 (# 243:10 Single Ambig)
&rst
ixpk= 243, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1169,1170,1293,
&end
#
# 0 AMB 10-2:244 72 PHE HN 3.50 (# 244:10 Single Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1152,1204,
&end
#
# 0 AMB 10-2:245 72 PHE HN 3.50 (# 245:10 Single Ambig)
&rst
ixpk= 245, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1169,1170,1195,1196,
&end
#
# 72 PHE HB- 72 PHE HN 2.80 (# 246:10 Unique 2.14, 2.50 A)
&rst
ixpk= 246, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1178,1179,
&end
#
# 72 PHE HB+ 72 PHE HN 2.80 (# 247:10 Unique 2.14, 2.50 A)
&rst
ixpk= 247, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1178,1179,
&end
#
# 79 MET HB+ 72 PHE HN 4.50 (# 248:10 Unique 2.15, 3.44 A)
&rst
ixpk= 248, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1301,1302,
&end
#
# 0 AMB 10-2:249 72 PHE HN 5.50 (# 249:10 Single Ambig)
&rst
ixpk= 249, nxpk= 10, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1290,1291,1154,1155,1308,1309,1310,
&end
#
# 0 AMB 10-2:250 17 LYS HN 3.50 (# 250:10 Single Ambig)
&rst
ixpk= 250, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 251, 237,
&end
#
# 83 TYR QD 83 TYR HN 3.50 (# 251:10 Unique 1.92, 3.28 A)
&rst
ixpk= 251, nxpk= 10, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1368,1377,
&end
#
# 18 ILE HN 17 LYS HN 2.80 (# 252:10 Unique 1.79, 2.30 A)
&rst
ixpk= 252, nxpk= 10, iat= 288, 266, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 LYS HA 17 LYS HN 2.80 (# 253:10 Unique 2.79, 2.90 A)
&rst
ixpk= 253, nxpk= 10, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 LYS HB- 17 LYS HN 3.50 (# 255:10 Unique 2.05, 3.35 A)
&rst
ixpk= 255, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 270, 271,
&end
#
# 0 AMB 10-2:256 0 AMB 10-1:256 2.80 (# 256:10 Double Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1354,1355,1356, 273, 274,
igr2=1360, 266,
&end
#
# 17 LYS HG- 17 LYS HN 3.50 (# 257:10 Unique 2.29, 3.30 A)
&rst
ixpk= 257, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 273, 274,
&end
#
# 0 AMB 10-2:258 17 LYS HN 4.50 (# 258:10 Single Ambig)
&rst
ixpk= 258, nxpk= 10, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 255, 256, 258, 259,
&end
#
# 0 AMB 10-2:268 0 AMB 10-1:268 3.50 (# 268:10 Double Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 154, 155, 154, 155, 241, 242, 43, 44,
igr2=1360, 266,
&end
#
# 83 TYR HB+ 83 TYR HN 3.50 (# 269:10 Unique 2.64, 3.28 A)
&rst
ixpk= 269, nxpk= 10, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1364,1365,
&end
#
# 66 LEU MDX 83 TYR HN 4.50 (# 270:10 Unique 2.81, 5.03 A)
&rst
ixpk= 270, nxpk= 10, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1085,1086,1087,1089,1090,1091,
&end
#
# 83 TYR HA 83 TYR HN 4.50 (# 271:10 Unique 2.87, 2.95 A)
&rst
ixpk= 271, nxpk= 10, iat=1362,1360, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 ALA HA 83 TYR HN 2.80 (# 272:10 Unique 2.54, 2.65 A)
&rst
ixpk= 272, nxpk= 10, iat=1352,1360, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 TYR QD 83 TYR HN 3.50 (# 273:10 Unique 1.92, 3.28 A)
&rst
ixpk= 273, nxpk= 10, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1368,1377,
&end
#
# 17 LYS HA 17 LYS HN 3.50 (# 274:10 Unique 2.79, 2.90 A)
&rst
ixpk= 274, nxpk= 10, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:275 0 AMB 10-1:275 3.50 (# 275:10 Double Ambig)
&rst
ixpk= 275, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 592, 422,
igr2= 599, 400, 544,
&end
#
# 35 GLY HA+ 36 GLN HN 3.50 (# 277:10 Unique 2.18, 3.02 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 594, 595,
&end
#
# 36 GLN HA 0 AMB 10-1:278 3.50 (# 278:10 Single Ambig)
&rst
ixpk= 278, nxpk= 10, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 599, 544,
&end
#
# 0 AMB 10-2:279 0 AMB 10-1:279 2.80 (# 279:10 Double Ambig)
&rst
ixpk= 279, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 594, 595, 383,
igr2= 599, 400,
&end
#
# 0 AMB 10-2:280 0 AMB 10-1:280 3.50 (# 280:10 Double Ambig)
&rst
ixpk= 280, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 402, 476, 331,
igr2= 400, 544,
&end
#
# 36 GLN HB- 36 GLN HN 3.50 (# 281:10 Unique 2.24, 2.81 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 603, 604,
&end
#
# 0 AMB 10-2:282 0 AMB 10-1:282 2.80 (# 282:10 Double Ambig)
&rst
ixpk= 282, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 603, 604, 404, 405,
igr2= 599, 400,
&end
#
# 0 AMB 10-2:283 0 AMB 10-1:283 4.50 (# 283:10 Double Ambig)
&rst
ixpk= 283, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 572, 580, 588,
igr2= 599, 544,
&end
#
# 32 SER HA 0 AMB 10-1:284 3.50 (# 284:10 Single Ambig)
&rst
ixpk= 284, nxpk= 10, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 544, 599,
&end
#
# 0 AMB 10-2:285 0 AMB 10-1:285 3.50 (# 285:10 Double Ambig)
&rst
ixpk= 285, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 548, 549, 548, 549,
igr2= 544, 599,
&end
#
# 32 SER HB- 32 SER HN 3.50 (# 286:10 Unique 2.12, 3.07 A)
&rst
ixpk= 286, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 548, 549,
&end
#
# 31 PHE HB- 32 SER HN 5.50 (# 287:10 Unique 1.87, 3.25 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 528, 529,
&end
#
# 31 PHE HB+ 32 SER HN 5.50 (# 288:10 Unique 1.87, 3.25 A)
&rst
ixpk= 288, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 528, 529,
&end
#
# 0 AMB 10-2:290 74 PHE HN 5.50 (# 290:10 Single Ambig)
&rst
ixpk= 290, nxpk= 10, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1210,1293,
&end
#
# 73 PRO HA 74 PHE HN 2.80 (# 291:10 Unique 2.29, 2.39 A)
&rst
ixpk= 291, nxpk= 10, iat=1204,1208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 PHE HB+ 74 PHE HN 3.50 (# 292:10 Unique 2.29, 2.54 A)
&rst
ixpk= 292, nxpk= 10, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1212,1213,
&end
#
# 74 PHE HB- 74 PHE HN 3.50 (# 293:10 Unique 2.29, 2.54 A)
&rst
ixpk= 293, nxpk= 10, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1212,1213,
&end
#
# 0 AMB 10-2:295 74 PHE HN 5.50 (# 295:10 Single Ambig)
&rst
ixpk= 295, nxpk= 10, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1201,1202,1144,1145,1146,
&end
#
# 64 ASN HN 63 SER HN 3.50 (# 296:10 Unique 2.68, 2.82 A)
&rst
ixpk= 296, nxpk= 10, iat=1052,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ALA HN 63 SER HN 3.50 (# 297:10 Unique 2.79, 2.87 A)
&rst
ixpk= 297, nxpk= 10, iat=1031,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 SER HA 63 SER HN 3.50 (# 298:10 Unique 2.80, 2.82 A)
&rst
ixpk= 298, nxpk= 10, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:299 63 SER HN 2.80 (# 299:10 Single Ambig)
&rst
ixpk= 299, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1045,1046,1045,1046,
&end
#
# 60 GLY HA- 63 SER HN 5.50 (# 300:10 Unique 3.33, 4.06 A)
&rst
ixpk= 300, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1015,1016,
&end
#
# 62 ALA QB 63 SER HN 3.50 (# 301:10 Unique 2.33, 3.28 A)
&rst
ixpk= 301, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1035,1036,1037,
&end
#
# 0 AMB 10-2:302 63 SER HN 5.50 (# 302:10 Single Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1022, 102,
&end
#
# 0 AMB 10-2:304 55 ILE HN 5.50 (# 304:10 Single Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 685, 131, 882,
&end
#
# 54 VAL HA 55 ILE HN 2.80 (# 305:10 Unique 1.84, 2.07 A)
&rst
ixpk= 305, nxpk= 10, iat= 904, 918, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 ILE HB 55 ILE HN 3.50 (# 306:10 Unique 2.20, 2.47 A)
&rst
ixpk= 306, nxpk= 10, iat= 922, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:307 55 ILE HN 3.50 (# 307:10 Single Ambig)
&rst
ixpk= 307, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 928, 929, 906,
&end
#
# 55 ILE QD1 55 ILE HN 3.50 (# 308:10 Unique 2.41, 3.17 A)
&rst
ixpk= 308, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 931, 932, 933,
&end
#
# 54 VAL QG+ 55 ILE HN 3.50 (# 309:10 Unique 1.98, 4.15 A)
&rst
ixpk= 309, nxpk= 10, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 908, 909, 910, 912, 913, 914,
&end
#
# 94 ILE HA 95 LYS HN 3.50 (# 313:10 Unique 3.47, 3.56 A)
&rst
ixpk= 313, nxpk= 10, iat=1529,1546, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 ILE QD1 95 LYS HN 5.50 (# 318:10 Unique 2.56, 4.98 A)
&rst
ixpk= 318, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1540,1541,1542,
&end
#
# 76 ASP HA 76 ASP HN 2.80 (# 319:10 Unique 2.20, 2.71 A)
&rst
ixpk= 319, nxpk= 10, iat=1251,1249, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 TYR HA 76 ASP HN 3.50 (# 320:10 Unique 2.18, 2.81 A)
&rst
ixpk= 320, nxpk= 10, iat=1230,1249, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 MET HA 4 LEU HN 2.80 (# 322:10 Unique 2.19, 2.33 A)
&rst
ixpk= 322, nxpk= 10, iat= 38, 53, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:323 4 LEU HN 3.50 (# 323:10 Single Ambig)
&rst
ixpk= 323, nxpk= 10, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 40, 41, 40, 41,
&end
#
# 4 LEU HB+ 4 LEU HN 2.80 (# 324:10 Unique 2.19, 3.05 A)
&rst
ixpk= 324, nxpk= 10, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 57, 58,
&end
#
# 0 AMB 10-2:325 4 LEU HN 3.50 (# 325:10 Single Ambig)
&rst
ixpk= 325, nxpk= 10, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 62, 63, 64, 66, 67, 68, 62, 63, 64, 66,
67, 68,
&end
#
# 100 GLU HB+ 100 GLU HN 5.50 (# 333:10 Unique 2.05, 3.01 A)
&rst
ixpk= 333, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1635,1636,
&end
#
# 100 GLU HB- 100 GLU HN 3.50 (# 336:10 Unique 2.05, 3.01 A)
&rst
ixpk= 336, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1635,1636,
&end
#
# 13 ASN HN 14 LEU HN 3.50 (# 337:10 Unique 2.25, 2.69 A)
&rst
ixpk= 337, nxpk= 10, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ASN HA 14 LEU HN 3.50 (# 338:10 Unique 2.44, 2.64 A)
&rst
ixpk= 338, nxpk= 10, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 LEU HA 14 LEU HN 3.50 (# 339:10 Unique 2.85, 2.94 A)
&rst
ixpk= 339, nxpk= 10, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 GLY HA+ 14 LEU HN 5.50 (# 340:10 Unique 2.92, 3.83 A)
&rst
ixpk= 340, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 850, 851,
&end
#
# 50 GLY HA- 14 LEU HN 5.50 (# 341:10 Unique 2.92, 3.83 A)
&rst
ixpk= 341, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 850, 851,
&end
#
# 14 LEU HB+ 14 LEU HN 2.80 (# 342:10 Unique 2.06, 2.64 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 222, 223,
&end
#
# 14 LEU HB- 14 LEU HN 3.50 (# 343:10 Unique 2.06, 2.64 A)
&rst
ixpk= 343, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 222, 223,
&end
#
# 14 LEU HG 14 LEU HN 4.50 (# 344:10 Unique 3.03, 3.93 A)
&rst
ixpk= 344, nxpk= 10, iat= 225, 218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:345 14 LEU HN 4.50 (# 345:10 Single Ambig)
&rst
ixpk= 345, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 227, 228, 229, 231, 232, 233, 227, 228, 229, 231,
232, 233,
&end
#
# 58 GLU HN 57 LYS HN 3.50 (# 347:10 Unique 2.64, 2.90 A)
&rst
ixpk= 347, nxpk= 10, iat= 979, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE HA 57 LYS HN 3.50 (# 348:10 Unique 2.12, 2.44 A)
&rst
ixpk= 348, nxpk= 10, iat= 939, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ILE HA 57 LYS HN 4.50 (# 349:10 Unique 3.22, 3.93 A)
&rst
ixpk= 349, nxpk= 10, iat= 618, 957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 LYS HA 57 LYS HN 3.50 (# 350:10 Unique 2.55, 2.81 A)
&rst
ixpk= 350, nxpk= 10, iat= 959, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE HB- 57 LYS HN 3.50 (# 351:10 Unique 2.21, 3.00 A)
&rst
ixpk= 351, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 941, 942,
&end
#
# 56 PHE HB+ 57 LYS HN 4.50 (# 352:10 Unique 2.21, 3.00 A)
&rst
ixpk= 352, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 941, 942,
&end
#
# 57 LYS HB+ 57 LYS HN 3.50 (# 353:10 Unique 2.41, 3.08 A)
&rst
ixpk= 353, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 961, 962,
&end
#
# 57 LYS HB- 57 LYS HN 3.50 (# 354:10 Unique 2.41, 3.08 A)
&rst
ixpk= 354, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 961, 962,
&end
#
# 0 AMB 10-2:355 57 LYS HN 5.50 (# 355:10 Single Ambig)
&rst
ixpk= 355, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 639, 640, 642,
&end
#
# 64 ASN HN 65 ALA HN 2.80 (# 356:10 Unique 2.27, 2.74 A)
&rst
ixpk= 356, nxpk= 10, iat=1052,1066, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:357 65 ALA HN 4.50 (# 357:10 Single Ambig)
&rst
ixpk= 357, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1033, 576, 577,
&end
#
# 0 AMB 10-2:358 65 ALA HN 3.50 (# 358:10 Single Ambig)
&rst
ixpk= 358, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1054, 574,
&end
#
# 0 AMB 10-2:359 65 ALA HN 2.80 (# 359:10 Single Ambig)
&rst
ixpk= 359, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1056,1057,1056,1057,
&end
#
# 69 MET HG- 65 ALA HN 5.50 (# 360:10 Unique 5.16, 6.26 A)
&rst
ixpk= 360, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1140,1141,
&end
#
# 65 ALA QB 65 ALA HN 2.80 (# 361:10 Unique 2.40, 2.90 A)
&rst
ixpk= 361, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1070,1071,1072,
&end
#
# 66 LEU HB- 65 ALA HN 5.50 (# 362:10 Unique 4.64, 4.96 A)
&rst
ixpk= 362, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1080,1081,
&end
#
# 67 ARG HN 66 LEU HN 3.50 (# 363:10 Unique 2.81, 2.96 A)
&rst
ixpk= 363, nxpk= 10, iat=1095,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HA 66 LEU HN 3.50 (# 364:10 Unique 2.59, 2.78 A)
&rst
ixpk= 364, nxpk= 10, iat=1078,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HB+ 66 LEU HN 3.50 (# 365:10 Unique 2.03, 2.46 A)
&rst
ixpk= 365, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1080,1081,
&end
#
# 66 LEU HB- 66 LEU HN 2.80 (# 366:10 Unique 2.03, 2.46 A)
&rst
ixpk= 366, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1080,1081,
&end
#
# 65 ALA QB 66 LEU HN 3.50 (# 367:10 Unique 2.36, 3.26 A)
&rst
ixpk= 367, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1070,1071,1072,
&end
#
# 9 ILE QG2 66 LEU HN 4.50 (# 368:10 Unique 2.84, 4.47 A)
&rst
ixpk= 368, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 137, 138, 139,
&end
#
# 91 VAL HN 92 ALA HN 3.50 (# 370:10 Unique 2.81, 2.93 A)
&rst
ixpk= 370, nxpk= 10, iat=1479,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 VAL HA 92 ALA HN 4.50 (# 373:10 Unique 3.59, 3.63 A)
&rst
ixpk= 373, nxpk= 10, iat=1481,1495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 VAL HB 92 ALA HN 3.50 (# 374:10 Unique 2.46, 2.70 A)
&rst
ixpk= 374, nxpk= 10, iat=1483,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 VAL QG- 92 ALA HN 3.50 (# 376:10 Unique 3.39, 4.59 A)
&rst
ixpk= 376, nxpk= 10, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1485,1486,1487,1489,1490,1491,
&end
#
# 87 ASP HA 88 SER HN 4.50 (# 379:10 Unique 2.31, 3.37 A)
&rst
ixpk= 379, nxpk= 10, iat=1427,1437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TYR HN 29 ALA HN 3.50 (# 381:10 Unique 2.69, 2.76 A)
&rst
ixpk= 381, nxpk= 10, iat= 474, 495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:382 29 ALA HN 5.50 (# 382:10 Single Ambig)
&rst
ixpk= 382, nxpk= 10, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 532, 540, 422,
&end
#
# 26 SER HA 29 ALA HN 5.50 (# 383:10 Unique 3.05, 3.37 A)
&rst
ixpk= 383, nxpk= 10, iat= 446, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:384 29 ALA HN 4.50 (# 384:10 Single Ambig)
&rst
ixpk= 384, nxpk= 10, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 424, 457,
&end
#
# 28 TYR HA 29 ALA HN 4.50 (# 385:10 Unique 3.38, 3.56 A)
&rst
ixpk= 385, nxpk= 10, iat= 476, 495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TYR HB+ 29 ALA HN 3.50 (# 386:10 Unique 2.66, 3.37 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 478, 479,
&end
#
# 29 ALA QB 29 ALA HN 2.80 (# 387:10 Unique 2.49, 2.92 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 499, 500, 501,
&end
#
# 40 ILE QD1 29 ALA HN 5.50 (# 388:10 Unique 5.70, 6.57 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 679, 680, 681,
&end
#
# 98 PHE HA 99 LYS HN 3.50 (# 389:10 Unique 3.02, 3.43 A)
&rst
ixpk= 389, nxpk= 10, iat=1591,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 ALA HN 93 LYS HN 3.50 (# 398:10 Unique 2.48, 2.82 A)
&rst
ixpk= 398, nxpk= 10, iat=1495,1505, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 PHE HA 98 PHE HN 4.50 (# 407:10 Unique 2.16, 2.67 A)
&rst
ixpk= 407, nxpk= 10, iat=1591,1589, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 THR HA 98 PHE HN 5.50 (# 409:10 Unique 2.24, 3.04 A)
&rst
ixpk= 409, nxpk= 10, iat=1577,1589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 PHE HB+ 98 PHE HN 5.50 (# 411:10 Unique 2.01, 3.12 A)
&rst
ixpk= 411, nxpk= 10, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1593,1594,
&end
#
# 70 GLN HN 69 MET HN 2.80 (# 412:10 Unique 2.47, 2.58 A)
&rst
ixpk= 412, nxpk= 10, iat=1150,1133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 MET HA 69 MET HN 3.50 (# 413:10 Unique 2.79, 2.93 A)
&rst
ixpk= 413, nxpk= 10, iat=1135,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:414 69 MET HN 3.50 (# 414:10 Single Ambig)
&rst
ixpk= 414, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1121,1152,
&end
#
# 68 THR HB 69 MET HN 3.50 (# 415:10 Unique 2.68, 2.81 A)
&rst
ixpk= 415, nxpk= 10, iat=1123,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 MET HG+ 69 MET HN 2.80 (# 416:10 Unique 2.06, 3.13 A)
&rst
ixpk= 416, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1140,1141,
&end
#
# 69 MET HB+ 69 MET HN 2.80 (# 417:10 Unique 2.25, 3.02 A)
&rst
ixpk= 417, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1137,1138,
&end
#
# 81 ILE QD1 69 MET HN 5.50 (# 418:10 Unique 3.72, 4.64 A)
&rst
ixpk= 418, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1344,1345,1346,
&end
#
# 68 THR QG2 69 MET HN 4.50 (# 419:10 Unique 3.92, 4.71 A)
&rst
ixpk= 419, nxpk= 10, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1125,1126,1127,
&end
#
# 103 LYS HA 104 LYS HN 2.80 (# 421:10 Unique 2.19, 2.77 A)
&rst
ixpk= 421, nxpk= 10, iat=1686,1706, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 LYS HA 104 LYS HN 3.50 (# 422:10 Unique 2.28, 2.86 A)
&rst
ixpk= 422, nxpk= 10, iat=1708,1706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ARG HB- 104 LYS HN 4.50 (# 423:10 Unique 2.20, 4.53 A)
&rst
ixpk= 423, nxpk= 10, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1650,1651,
&end
#
# 94 ILE HA 94 ILE HN 3.50 (# 428:10 Unique 2.80, 2.91 A)
&rst
ixpk= 428, nxpk= 10, iat=1529,1527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 VAL HA 94 ILE HN 5.50 (# 429:10 Unique 3.35, 3.57 A)
&rst
ixpk= 429, nxpk= 10, iat=1481,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ILE HG1+ 94 ILE HN 3.50 (# 432:10 Unique 2.08, 2.81 A)
&rst
ixpk= 432, nxpk= 10, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1537,1538,
&end
#
# 50 GLY HA+ 51 GLN HN 3.50 (# 435:10 Unique 2.59, 3.31 A)
&rst
ixpk= 435, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 850, 851,
&end
#
# 50 GLY HA- 51 GLN HN 3.50 (# 436:10 Unique 2.59, 3.31 A)
&rst
ixpk= 436, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:437 51 GLN HN 3.50 (# 437:10 Single Ambig)
&rst
ixpk= 437, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 859, 860, 859, 860, 862, 863,
&end
#
# 48 MET QE 51 GLN HN 4.50 (# 438:10 Unique 3.84, 5.19 A)
&rst
ixpk= 438, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 818, 819, 820,
&end
#
# 0 AMB 10-2:439 51 GLN HN 4.50 (# 439:10 Single Ambig)
&rst
ixpk= 439, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 789, 790, 828, 829, 828, 829,
&end
#
# 0 AMB 10-2:440 51 GLN HN 5.50 (# 440:10 Single Ambig)
&rst
ixpk= 440, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 218, 711,
&end
#
# 50 GLY HN 51 GLN HN 5.50 (# 441:10 Unique 2.01, 2.34 A)
&rst
ixpk= 441, nxpk= 10, iat= 848, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:442 80 GLN HN 5.50 (# 442:10 Single Ambig)
&rst
ixpk= 442, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 204,1167,1297,
&end
#
# 80 GLN HA 80 GLN HN 3.50 (# 443:10 Unique 2.86, 2.95 A)
&rst
ixpk= 443, nxpk= 10, iat=1316,1314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 MET HA 80 GLN HN 2.80 (# 444:10 Unique 2.22, 2.27 A)
&rst
ixpk= 444, nxpk= 10, iat=1299,1314, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:445 80 GLN HN 5.50 (# 445:10 Single Ambig)
&rst
ixpk= 445, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 194, 195,1304,1305,
&end
#
# 0 AMB 10-2:446 80 GLN HN 3.50 (# 446:10 Single Ambig)
&rst
ixpk= 446, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1321,1322,1321,1322,
&end
#
# 80 GLN HB+ 80 GLN HN 3.50 (# 447:10 Unique 2.61, 3.26 A)
&rst
ixpk= 447, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1318,1319,
&end
#
# 0 AMB 10-2:448 80 GLN HN 2.80 (# 448:10 Single Ambig)
&rst
ixpk= 448, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1301,1302,1318,1319,
&end
#
# 11 ILE QG2 80 GLN HN 3.50 (# 449:10 Unique 3.42, 4.51 A)
&rst
ixpk= 449, nxpk= 10, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 177, 178, 179,
&end
#
# 91 VAL HN 90 ILE HN 3.50 (# 450:10 Unique 2.51, 2.66 A)
&rst
ixpk= 450, nxpk= 10, iat=1479,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 ASP HA 90 ILE HN 3.50 (# 452:10 Unique 3.45, 3.60 A)
&rst
ixpk= 452, nxpk= 10, iat=1450,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 SER HB+ 90 ILE HN 5.50 (# 453:10 Unique 4.56, 5.67 A)
&rst
ixpk= 453, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1441,1442,
&end
#
# 90 ILE HG1- 90 ILE HN 3.50 (# 457:10 Unique 2.05, 2.78 A)
&rst
ixpk= 457, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1470,1471,
&end
#
# 90 ILE HG1+ 90 ILE HN 3.50 (# 459:10 Unique 2.05, 2.78 A)
&rst
ixpk= 459, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1470,1471,
&end
#
# 67 ARG HN 64 ASN HN 7.00 (# 460:10 Unique 4.69, 4.82 A)
&rst
ixpk= 460, nxpk= 10, iat=1095,1052, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 ASN HD2+ 64 ASN HN 7.00 (# 461:10 Unique 4.69, 5.35 A)
&rst
ixpk= 461, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1061,1062,
&end
#
# 65 ALA HN 64 ASN HN 2.80 (# 462:10 Unique 2.27, 2.74 A)
&rst
ixpk= 462, nxpk= 10, iat=1066,1052, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 SER HN 64 ASN HN 3.50 (# 463:10 Unique 2.68, 2.82 A)
&rst
ixpk= 463, nxpk= 10, iat=1041,1052, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 SER HA 64 ASN HN 3.50 (# 465:10 Unique 3.37, 3.56 A)
&rst
ixpk= 465, nxpk= 10, iat=1043,1052, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ASN HA 64 ASN HN 3.50 (# 466:10 Unique 2.83, 2.86 A)
&rst
ixpk= 466, nxpk= 10, iat=1054,1052, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 SER HA 64 ASN HN 4.50 (# 467:10 Unique 2.70, 3.37 A)
&rst
ixpk= 467, nxpk= 10, iat=1022,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:469 64 ASN HN 2.80 (# 469:10 Single Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1045,1046,1045,1046,
&end
#
# 60 GLY HA- 64 ASN HN 5.50 (# 470:10 Unique 3.86, 4.49 A)
&rst
ixpk= 470, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1015,1016,
&end
#
# 0 AMB 10-2:471 64 ASN HN 2.80 (# 471:10 Single Ambig)
&rst
ixpk= 471, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1056,1057,1056,1057,
&end
#
# 65 ALA QB 64 ASN HN 5.50 (# 472:10 Unique 4.46, 5.44 A)
&rst
ixpk= 472, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1070,1071,1072,
&end
#
# 0 AMB 10-2:473 64 ASN HN 5.50 (# 473:10 Single Ambig)
&rst
ixpk= 473, nxpk= 10, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1035,1036,1037, 998,
&end
#
# 74 PHE HN 77 LYS HN 4.50 (# 474:10 Unique 2.87, 4.25 A)
&rst
ixpk= 474, nxpk= 10, iat=1208,1261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LYS HA 77 LYS HN 4.50 (# 475:10 Unique 2.85, 2.93 A)
&rst
ixpk= 475, nxpk= 10, iat=1263,1261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:476 77 LYS HN 5.50 (# 476:10 Single Ambig)
&rst
ixpk= 476, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1251,1204,
&end
#
# 48 MET HA 49 ARG HN 3.50 (# 479:10 Unique 2.12, 3.36 A)
&rst
ixpk= 479, nxpk= 10, iat= 809, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 ARG HA 49 ARG HN 3.50 (# 480:10 Unique 2.30, 2.88 A)
&rst
ixpk= 480, nxpk= 10, iat= 826, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:481 49 ARG HN 2.80 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 828, 829, 828, 829,
&end
#
# 49 ARG HG+ 49 ARG HN 4.50 (# 482:10 Unique 2.70, 3.92 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 831, 832,
&end
#
# 0 AMB 10-2:483 49 ARG HN 5.50 (# 483:10 Single Ambig)
&rst
ixpk= 483, nxpk= 10, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 773, 715, 716, 770, 771,
&end
#
# 48 MET HA 48 MET HN 3.50 (# 485:10 Unique 2.80, 2.91 A)
&rst
ixpk= 485, nxpk= 10, iat= 809, 807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:486 48 MET HN 3.50 (# 486:10 Single Ambig)
&rst
ixpk= 486, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 787, 768,
&end
#
# 48 MET HG- 48 MET HN 5.50 (# 487:10 Unique 2.16, 3.10 A)
&rst
ixpk= 487, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 814, 815,
&end
#
# 0 AMB 10-2:488 48 MET HN 3.50 (# 488:10 Single Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 811, 812, 811, 812,
&end
#
# 0 AMB 10-2:489 48 MET HN 4.50 (# 489:10 Single Ambig)
&rst
ixpk= 489, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 715, 716, 718,
&end
#
# 0 AMB 10-2:490 48 MET HN 4.50 (# 490:10 Single Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 859, 860, 859, 860, 862, 863,
&end
#
# 33 GLN HN 34 PHE HN 3.50 (# 491:10 Unique 1.78, 2.63 A)
&rst
ixpk= 491, nxpk= 10, iat= 555, 572, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 PHE HA 34 PHE HN 4.50 (# 492:10 Unique 2.84, 2.97 A)
&rst
ixpk= 492, nxpk= 10, iat= 574, 572, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 PHE HB+ 34 PHE HN 4.50 (# 493:10 Unique 2.26, 3.20 A)
&rst
ixpk= 493, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 576, 577,
&end
#
# 34 PHE HB- 34 PHE HN 3.50 (# 494:10 Unique 2.26, 3.20 A)
&rst
ixpk= 494, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 576, 577,
&end
#
# 0 AMB 10-2:495 0 AMB 10-1:495 5.50 (# 495:10 Double Ambig)
&rst
ixpk= 495, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 559, 560, 559, 560, 795, 796, 795, 796,
igr2= 572, 807,
&end
#
# 0 AMB 10-2:496 67 ARG HN 3.50 (# 496:10 Single Ambig)
&rst
ixpk= 496, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1076,1066,
&end
#
# 68 THR HN 67 ARG HN 3.50 (# 497:10 Unique 2.57, 2.82 A)
&rst
ixpk= 497, nxpk= 10, iat=1119,1095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ASN HA 67 ARG HN 5.50 (# 498:10 Unique 3.41, 3.64 A)
&rst
ixpk= 498, nxpk= 10, iat=1054,1095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:499 67 ARG HN 3.50 (# 499:10 Single Ambig)
&rst
ixpk= 499, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1097,1045,1046,
&end
#
# 67 ARG HB+ 67 ARG HN 2.80 (# 500:10 Unique 2.21, 2.69 A)
&rst
ixpk= 500, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1099,1100,
&end
#
# 67 ARG HB- 67 ARG HN 2.80 (# 501:10 Unique 2.21, 2.69 A)
&rst
ixpk= 501, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1099,1100,
&end
#
# 66 LEU HB+ 67 ARG HN 3.50 (# 502:10 Unique 2.18, 2.90 A)
&rst
ixpk= 502, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1080,1081,
&end
#
# 66 LEU HB- 67 ARG HN 4.50 (# 503:10 Unique 2.18, 2.90 A)
&rst
ixpk= 503, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1080,1081,
&end
#
# 66 LEU MDY 67 ARG HN 5.50 (# 504:10 Unique 3.32, 4.81 A)
&rst
ixpk= 504, nxpk= 10, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1085,1086,1087,1089,1090,1091,
&end
#
# 36 GLN HN 35 GLY HN 5.50 (# 505:10 Unique 1.76, 2.90 A)
&rst
ixpk= 505, nxpk= 10, iat= 599, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 GLY HA+ 35 GLY HN 3.50 (# 506:10 Unique 2.59, 2.82 A)
&rst
ixpk= 506, nxpk= 10, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 594, 595,
&end
#
# 34 PHE HA 35 GLY HN 3.50 (# 507:10 Unique 2.91, 3.33 A)
&rst
ixpk= 507, nxpk= 10, iat= 574, 592, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 GLY HA- 35 GLY HN 3.50 (# 508:10 Unique 2.59, 2.82 A)
&rst
ixpk= 508, nxpk= 10, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 594, 595,
&end
#
# 0 AMB 10-2:509 25 LYS HN 3.50 (# 509:10 Single Ambig)
&rst
ixpk= 509, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 424, 368,
&end
#
# 0 AMB 10-2:510 25 LYS HN 2.80 (# 510:10 Single Ambig)
&rst
ixpk= 510, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 426, 427, 426, 427,
&end
#
# 24 LYS HB- 25 LYS HN 3.50 (# 511:10 Unique 2.43, 3.08 A)
&rst
ixpk= 511, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 404, 405,
&end
#
# 25 LYS HG- 25 LYS HN 5.50 (# 513:10 Unique 2.45, 4.06 A)
&rst
ixpk= 513, nxpk= 10, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 429, 430,
&end
#
# 26 SER HN 25 LYS HN 3.50 (# 514:10 Unique 2.78, 2.85 A)
&rst
ixpk= 514, nxpk= 10, iat= 444, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ILE HN 39 ASP HN 4.50 (# 515:10 Unique 2.83, 2.92 A)
&rst
ixpk= 515, nxpk= 10, iat= 918, 654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LEU HN 39 ASP HN 3.50 (# 516:10 Unique 1.90, 2.00 A)
&rst
ixpk= 516, nxpk= 10, iat= 635, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ASP HA 39 ASP HN 3.50 (# 517:10 Unique 2.88, 2.90 A)
&rst
ixpk= 517, nxpk= 10, iat= 656, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ASP HB+ 39 ASP HN 5.50 (# 518:10 Unique 2.94, 3.25 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 658, 659,
&end
#
# 39 ASP HB- 39 ASP HN 5.50 (# 519:10 Unique 2.94, 3.25 A)
&rst
ixpk= 519, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 658, 659,
&end
#
# 55 ILE HB 39 ASP HN 3.50 (# 520:10 Unique 2.31, 2.48 A)
&rst
ixpk= 520, nxpk= 10, iat= 922, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LEU HB+ 39 ASP HN 3.50 (# 521:10 Unique 2.59, 3.41 A)
&rst
ixpk= 521, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 639, 640,
&end
#
# 0 AMB 10-2:522 39 ASP HN 3.50 (# 522:10 Single Ambig)
&rst
ixpk= 522, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 639, 640, 642,
&end
#
# 0 AMB 10-2:523 39 ASP HN 3.50 (# 523:10 Single Ambig)
&rst
ixpk= 523, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 644, 645, 646, 648, 649, 650, 931, 932, 933,
&end
#
# 37 ILE QG2 39 ASP HN 3.50 (# 524:10 Unique 2.51, 3.35 A)
&rst
ixpk= 524, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 622, 623, 624,
&end
#
# 90 ILE HN 91 VAL HN 3.50 (# 525:10 Unique 2.51, 2.66 A)
&rst
ixpk= 525, nxpk= 10, iat=1460,1479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 VAL HB 91 VAL HN 3.50 (# 528:10 Unique 2.34, 2.45 A)
&rst
ixpk= 528, nxpk= 10, iat=1483,1479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:531 33 GLN HN 4.50 (# 531:10 Single Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 572, 592,
&end
#
# 31 PHE HN 33 GLN HN 5.50 (# 532:10 Unique 2.40, 4.21 A)
&rst
ixpk= 532, nxpk= 10, iat= 524, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:534 33 GLN HN 3.50 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 557, 507,
&end
#
# 37 ILE HG1+ 33 GLN HN 5.50 (# 535:10 Unique 5.35, 6.35 A)
&rst
ixpk= 535, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 627,
&end
#
# 0 AMB 10-2:536 33 GLN HN 3.50 (# 536:10 Single Ambig)
&rst
ixpk= 536, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 559, 560, 559, 560,
&end
#
# 69 MET HN 70 GLN HN 2.80 (# 538:10 Unique 2.47, 2.58 A)
&rst
ixpk= 538, nxpk= 10, iat=1133,1150, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:539 70 GLN HN 3.50 (# 539:10 Single Ambig)
&rst
ixpk= 539, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1152,1121,
&end
#
# 69 MET HA 70 GLN HN 5.50 (# 540:10 Unique 3.24, 3.47 A)
&rst
ixpk= 540, nxpk= 10, iat=1135,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 GLN HB+ 70 GLN HN 2.80 (# 542:10 Unique 2.06, 2.83 A)
&rst
ixpk= 542, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1154,1155,
&end
#
# 70 GLN HB- 70 GLN HN 2.80 (# 543:10 Unique 2.06, 2.83 A)
&rst
ixpk= 543, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1154,1155,
&end
#
# 70 GLN HG- 70 GLN HN 4.50 (# 544:10 Unique 2.12, 3.33 A)
&rst
ixpk= 544, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 81 ILE QD1 70 GLN HN 3.50 (# 545:10 Unique 2.80, 3.97 A)
&rst
ixpk= 545, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1344,1345,1346,
&end
#
# 0 AMB 10-2:546 70 GLN HN 4.50 (# 546:10 Single Ambig)
&rst
ixpk= 546, nxpk= 10, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1162,1163,1119,
&end
#
# 23 LEU HN 22 GLU HN 2.80 (# 547:10 Unique 2.54, 2.62 A)
&rst
ixpk= 547, nxpk= 10, iat= 381, 366, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:548 22 GLU HN 3.50 (# 548:10 Single Ambig)
&rst
ixpk= 548, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 368, 309,
&end
#
# 22 GLU HG+ 22 GLU HN 5.50 (# 549:10 Unique 1.89, 2.96 A)
&rst
ixpk= 549, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 373, 374,
&end
#
# 22 GLU HG- 22 GLU HN 3.50 (# 550:10 Unique 1.89, 2.96 A)
&rst
ixpk= 550, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 373, 374,
&end
#
# 0 AMB 10-2:551 22 GLU HN 2.80 (# 551:10 Single Ambig)
&rst
ixpk= 551, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 311, 312, 370, 371, 355, 356,
&end
#
# 19 LYS HB- 22 GLU HN 4.50 (# 552:10 Unique 2.04, 3.24 A)
&rst
ixpk= 552, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 311, 312,
&end
#
# 0 AMB 10-2:553 22 GLU HN 4.50 (# 553:10 Single Ambig)
&rst
ixpk= 553, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 314, 315, 407, 408,
&end
#
# 18 ILE QG2 22 GLU HN 5.50 (# 554:10 Unique 4.15, 4.92 A)
&rst
ixpk= 554, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 294, 295, 296,
&end
#
# 62 ALA HN 61 SER HN 2.80 (# 555:10 Unique 2.51, 2.61 A)
&rst
ixpk= 555, nxpk= 10, iat=1031,1020, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 GLY HN 61 SER HN 3.50 (# 556:10 Unique 2.23, 2.58 A)
&rst
ixpk= 556, nxpk= 10, iat=1013,1020, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 SER HA 61 SER HN 3.50 (# 558:10 Unique 2.83, 2.88 A)
&rst
ixpk= 558, nxpk= 10, iat=1022,1020, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 GLY HA+ 61 SER HN 4.50 (# 559:10 Unique 2.51, 3.22 A)
&rst
ixpk= 559, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1015,1016,
&end
#
# 60 GLY HA- 61 SER HN 2.80 (# 560:10 Unique 2.51, 3.22 A)
&rst
ixpk= 560, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1015,1016,
&end
#
# 61 SER HB+ 61 SER HN 2.80 (# 561:10 Unique 2.52, 3.10 A)
&rst
ixpk= 561, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1024,1025,
&end
#
# 0 AMB 10-2:562 61 SER HN 4.50 (# 562:10 Single Ambig)
&rst
ixpk= 562, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 996, 941, 942,
&end
#
# 61 SER HB- 61 SER HN 3.50 (# 563:10 Unique 2.52, 3.10 A)
&rst
ixpk= 563, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1024,1025,
&end
#
# 0 AMB 10-2:564 61 SER HN 3.50 (# 564:10 Single Ambig)
&rst
ixpk= 564, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 983, 984, 986, 987,
&end
#
# 58 GLU HB- 61 SER HN 3.50 (# 565:10 Unique 2.22, 3.24 A)
&rst
ixpk= 565, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 983, 984,
&end
#
# 0 AMB 10-2:566 61 SER HN 4.50 (# 566:10 Single Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1035,1036,1037, 998, 967, 968, 967, 968,
&end
#
# 83 TYR HB+ 6 ASN HN 5.50 (# 569:10 Unique 3.84, 4.88 A)
&rst
ixpk= 569, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1364,1365,
&end
#
# 61 SER HN 62 ALA HN 3.50 (# 571:10 Unique 2.51, 2.61 A)
&rst
ixpk= 571, nxpk= 10, iat=1020,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 SER HN 62 ALA HN 3.50 (# 572:10 Unique 2.79, 2.87 A)
&rst
ixpk= 572, nxpk= 10, iat=1041,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 SER HB+ 62 ALA HN 3.50 (# 573:10 Unique 2.50, 3.20 A)
&rst
ixpk= 573, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1024,1025,
&end
#
# 62 ALA HA 62 ALA HN 3.50 (# 574:10 Unique 2.82, 2.84 A)
&rst
ixpk= 574, nxpk= 10, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ALA QB 62 ALA HN 2.80 (# 575:10 Unique 2.41, 2.88 A)
&rst
ixpk= 575, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1035,1036,1037,
&end
#
# 61 SER HB- 62 ALA HN 5.50 (# 576:10 Unique 2.50, 3.20 A)
&rst
ixpk= 576, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1024,1025,
&end
#
# 7 GLN HA 62 ALA HN 5.50 (# 577:10 Unique 3.59, 4.47 A)
&rst
ixpk= 577, nxpk= 10, iat= 102,1031, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LYS HN 18 ILE HN 3.50 (# 578:10 Unique 1.79, 2.30 A)
&rst
ixpk= 578, nxpk= 10, iat= 266, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 LYS HA 18 ILE HN 3.50 (# 580:10 Unique 3.25, 3.36 A)
&rst
ixpk= 580, nxpk= 10, iat= 268, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ILE HA 18 ILE HN 3.50 (# 581:10 Unique 2.69, 2.86 A)
&rst
ixpk= 581, nxpk= 10, iat= 290, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 LEU HB+ 18 ILE HN 7.00 (# 582:10 Unique 5.75, 6.73 A)
&rst
ixpk= 582, nxpk= 10, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 385, 386,
&end
#
# 18 ILE HB 18 ILE HN 3.50 (# 583:10 Unique 2.29, 2.44 A)
&rst
ixpk= 583, nxpk= 10, iat= 292, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:584 18 ILE HN 2.80 (# 584:10 Single Ambig)
&rst
ixpk= 584, nxpk= 10, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 298, 299, 298, 299,
&end
#
# 18 ILE QG2 18 ILE HN 5.50 (# 585:10 Unique 4.31, 4.54 A)
&rst
ixpk= 585, nxpk= 10, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 294, 295, 296,
&end
#
# 18 ILE QD1 18 ILE HN 3.50 (# 587:10 Unique 3.32, 4.18 A)
&rst
ixpk= 587, nxpk= 10, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 301, 302, 303,
&end
#
# 0 AMB 10-2:589 47 LYS HN 4.50 (# 589:10 Single Ambig)
&rst
ixpk= 589, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 787, 768,
&end
#
# 47 LYS HG- 47 LYS HN 5.50 (# 591:10 Unique 2.00, 2.90 A)
&rst
ixpk= 591, nxpk= 10, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 792, 793,
&end
#
# 0 AMB 10-2:592 0 AMB 10-1:592 3.50 (# 592:10 Double Ambig)
&rst
ixpk= 592, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 872, 131, 902,
igr2= 171, 937,
&end
#
# 11 ILE HB 11 ILE HN 3.50 (# 595:10 Unique 2.23, 2.37 A)
&rst
ixpk= 595, nxpk= 10, iat= 175, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:596 0 AMB 10-1:596 3.50 (# 596:10 Double Ambig)
&rst
ixpk= 596, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 181, 182, 924, 925, 926,
igr2= 171, 937,
&end
#
# 8 THR HA 56 PHE HN 4.50 (# 597:10 Unique 2.95, 3.66 A)
&rst
ixpk= 597, nxpk= 10, iat= 119, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 THR HB 8 THR HN 3.50 (# 603:10 Unique 2.54, 2.69 A)
&rst
ixpk= 603, nxpk= 10, iat= 121, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 GLN HG- 8 THR HN 5.50 (# 604:10 Unique 3.62, 4.85 A)
&rst
ixpk= 604, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 107, 108,
&end
#
# 67 ARG HN 68 THR HN 3.50 (# 606:10 Unique 2.57, 2.82 A)
&rst
ixpk= 606, nxpk= 10, iat=1095,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 THR HA 68 THR HN 3.50 (# 608:10 Unique 2.80, 2.87 A)
&rst
ixpk= 608, nxpk= 10, iat=1121,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 THR HB 68 THR HN 2.80 (# 609:10 Unique 2.53, 2.58 A)
&rst
ixpk= 609, nxpk= 10, iat=1123,1119, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 MET HB+ 68 THR HN 5.50 (# 610:10 Unique 4.72, 5.59 A)
&rst
ixpk= 610, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1137,1138,
&end
#
# 67 ARG HB- 68 THR HN 3.50 (# 611:10 Unique 1.98, 3.21 A)
&rst
ixpk= 611, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1099,1100,
&end
#
# 68 THR QG2 68 THR HN 4.50 (# 612:10 Unique 4.41, 4.54 A)
&rst
ixpk= 612, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1125,1126,1127,
&end
#
# 0 AMB 10-2:613 68 THR HN 5.50 (# 613:10 Single Ambig)
&rst
ixpk= 613, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 576, 577,1056,1057,1056,1057,
&end
#
# 0 AMB 10-2:614 68 THR HN 4.50 (# 614:10 Single Ambig)
&rst
ixpk= 614, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1150,1061,1062,
&end
#
# 0 AMB 10-2:615 68 THR HN 5.50 (# 615:10 Single Ambig)
&rst
ixpk= 615, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1076,1066,
&end
#
# 0 AMB 10-2:616 43 LEU HN 3.50 (# 616:10 Single Ambig)
&rst
ixpk= 616, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 715, 716, 718,
&end
#
# 0 AMB 10-2:617 43 LEU HN 5.50 (# 617:10 Single Ambig)
&rst
ixpk= 617, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 720, 721, 722, 724, 725, 726, 720, 721, 722, 724,
725, 726,
&end
#
# 55 ILE HA 55 ILE HN 4.50 (# 619:10 Unique 2.85, 2.95 A)
&rst
ixpk= 619, nxpk= 10, iat= 920, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ASP HN 55 ILE HN 4.50 (# 620:10 Unique 2.83, 2.92 A)
&rst
ixpk= 620, nxpk= 10, iat= 654, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLU HN 22 GLU HN 4.50 (# 621:10 Unique 2.73, 2.82 A)
&rst
ixpk= 621, nxpk= 10, iat= 351, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 GLN HA 51 GLN HN 3.50 (# 622:10 Unique 2.80, 2.93 A)
&rst
ixpk= 622, nxpk= 10, iat= 857, 855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ILE QD1 32 SER HN 4.50 (# 623:10 Unique 2.51, 3.97 A)
&rst
ixpk= 623, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 629, 630, 631,
&end
#
# 0 AMB 10-2:628 0 AMB 10-1:628 3.50 (# 628:10 Double Ambig)
&rst
ixpk= 628, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 208, 209,1284,1285,
igr2= 213, 214, 213, 214,
&end
#
# 0 AMB 10-2:629 13 ASN HD2- 2.80 (# 629:10 Single Ambig)
&rst
ixpk= 629, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 208, 209,1284,1285,
igr2= 213, 214,
&end
#
# 13 ASN HB- 13 ASN HD2- 3.50 (# 630:10 Unique 2.00, 3.22 A)
&rst
ixpk= 630, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 208, 209,
igr2= 213, 214,
&end
#
# 0 AMB 10-2:631 0 AMB 10-1:631 4.50 (# 631:10 Double Ambig)
&rst
ixpk= 631, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1265,1266,1318,1319,
igr2= 213, 214, 213, 214,
&end
#
# 13 ASN HB- 13 ASN HD2+ 3.50 (# 632:10 Unique 2.00, 3.22 A)
&rst
ixpk= 632, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 208, 209,
igr2= 213, 214,
&end
#
# 0 AMB 10-2:633 13 ASN HD2- 4.50 (# 633:10 Single Ambig)
&rst
ixpk= 633, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1287,1288,1290,1291,
igr2= 213, 214,
&end
#
# 0 AMB 10-2:634 0 AMB 10-1:634 5.50 (# 634:10 Double Ambig)
&rst
ixpk= 634, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=1287,1288,1290,1291,1308,1309,1310,
igr2= 213, 214, 213, 214, 213, 214,
&end
#
# 0 AMB 10-2:635 0 AMB 10-1:635 2.80 (# 635:10 Double Ambig)
&rst
ixpk= 635, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 90, 91, 90, 91,
igr2= 95, 96, 95, 96,
&end
#
# 0 AMB 10-2:636 6 ASN HD2- 3.50 (# 636:10 Single Ambig)
&rst
ixpk= 636, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 90, 91, 90, 91,
igr2= 95, 96,
&end
#
# 15 ASN HB+ 15 ASN HD2- 3.50 (# 649:10 Unique 2.15, 3.23 A)
&rst
ixpk= 649, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 241, 242,
igr2= 246, 247,
&end
#
# 15 ASN HB- 15 ASN HD2- 3.50 (# 650:10 Unique 2.15, 3.23 A)
&rst
ixpk= 650, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 241, 242,
igr2= 246, 247,
&end
#
# 0 AMB 10-2:651 15 ASN HD2- 3.50 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1232,1233, 279, 280, 279, 280,
igr2= 246, 247,
&end
#
# 0 AMB 10-2:652 0 AMB 10-1:652 4.50 (# 652:10 Double Ambig)
&rst
ixpk= 652, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 279, 280, 279, 280,
igr2= 246, 247, 246, 247,
&end
#
# 15 ASN HB+ 15 ASN HD2+ 4.50 (# 653:10 Unique 2.15, 3.23 A)
&rst
ixpk= 653, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 241, 242,
igr2= 246, 247,
&end
#
# 0 AMB 10-2:660 0 AMB 10-1:660 5.50 (# 660:10 Double Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 574,1054,
igr2=1061,1062,1061,1062,
&end
#
# 0 AMB 10-2:661 64 ASN HD2- 5.50 (# 661:10 Single Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 574,1054,
igr2=1061,1062,
&end
#
# 0 AMB 10-2:662 64 ASN HD2- 3.50 (# 662:10 Single Ambig)
&rst
ixpk= 662, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1056,1057,1056,1057, 576, 577,
igr2=1061,1062,
&end
#
# 0 AMB 10-2:663 0 AMB 10-1:663 2.80 (# 663:10 Double Ambig)
&rst
ixpk= 663, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1056,1057,1056,1057, 576, 577,
igr2=1061,1062,1061,1062,1061,1062,
&end
#
# 0 AMB 10-2:670 13 ASN HD2- 3.50 (# 670:10 Single Ambig)
&rst
ixpk= 670, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1265,1266,1318,1319,
igr2= 213, 214,
&end
#
# 36 GLN HG+ 36 GLN HE2+ 3.50 (# 671:10 Unique 2.15, 3.33 A)
&rst
ixpk= 671, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 606, 607,
igr2= 611, 612,
&end
#
# 36 GLN HG- 36 GLN HE2+ 5.50 (# 672:10 Unique 2.15, 3.33 A)
&rst
ixpk= 672, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 606, 607,
igr2= 611, 612,
&end
#
# 36 GLN HG+ 36 GLN HE2- 5.50 (# 673:10 Unique 2.15, 3.33 A)
&rst
ixpk= 673, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 606, 607,
igr2= 611, 612,
&end
#
# 0 AMB 10-2:679 51 GLN HE2- 3.50 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 859, 860, 859, 860, 862, 863,
igr2= 867, 868,
&end
#
# 0 AMB 10-2:680 0 AMB 10-1:680 3.50 (# 680:10 Double Ambig)
&rst
ixpk= 680, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 859, 860, 859, 860, 862, 863,
igr2= 867, 868, 867, 868, 867, 868,
&end
#
# 0 AMB 10-2:687 80 GLN HE2- 3.50 (# 687:10 Single Ambig)
&rst
ixpk= 687, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1321,1322,1321,1322,
igr2=1326,1327,
&end
#
# 0 AMB 10-2:688 0 AMB 10-1:688 3.50 (# 688:10 Double Ambig)
&rst
ixpk= 688, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1321,1322,1321,1322,
igr2=1326,1327,1326,1327,
&end
#
# 38 LEU QD+ 7 GLN HE2- 3.50 (# 697:10 Unique 2.55, 4.83 A)
&rst
ixpk= 697, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 644, 645, 646, 648, 649, 650,
igr2= 112, 113,
&end
#
# 7 GLN HG- 7 GLN HE2- 5.50 (# 698:10 Unique 2.25, 3.13 A)
&rst
ixpk= 698, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 107, 108,
igr2= 112, 113,
&end
#
# 7 GLN HG+ 7 GLN HE2- 3.50 (# 699:10 Unique 2.25, 3.13 A)
&rst
ixpk= 699, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 107, 108,
igr2= 112, 113,
&end
#
# 57 LYS HA 7 GLN HE2- 3.50 (# 700:10 Unique 2.64, 3.67 A)
&rst
ixpk= 700, nxpk= 10, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 112, 113,
&end
#
# 57 LYS HA 7 GLN HE2+ 3.50 (# 701:10 Unique 2.64, 3.67 A)
&rst
ixpk= 701, nxpk= 10, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 112, 113,
&end
#
# 38 LEU QD+ 7 GLN HE2+ 3.50 (# 702:10 Unique 2.55, 4.83 A)
&rst
ixpk= 702, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 644, 645, 646, 648, 649, 650,
igr2= 112, 113,
&end
#
# 7 GLN HG- 7 GLN HE2+ 3.50 (# 703:10 Unique 2.25, 3.13 A)
&rst
ixpk= 703, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 107, 108,
igr2= 112, 113,
&end
#
# 7 GLN HG+ 7 GLN HE2+ 3.50 (# 704:10 Unique 2.25, 3.13 A)
&rst
ixpk= 704, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 107, 108,
igr2= 112, 113,
&end
#
# 12 ASN HB- 12 ASN HD2- 3.50 (# 711:10 Unique 2.26, 3.41 A)
&rst
ixpk= 711, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 12 ASN HB- 12 ASN HD2+ 3.50 (# 712:10 Unique 2.26, 3.41 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 12 ASN HB+ 12 ASN HD2+ 3.50 (# 713:10 Unique 2.26, 3.41 A)
&rst
ixpk= 713, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 12 ASN HB+ 12 ASN HD2- 5.50 (# 714:10 Unique 2.26, 3.41 A)
&rst
ixpk= 714, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 0 AMB 10-2:719 70 GLN HE2- 3.50 (# 719:10 Single Ambig)
&rst
ixpk= 719, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1157,1158, 43, 44,
igr2=1162,1163,
&end
#
# 70 GLN HB+ 70 GLN HE2- 3.50 (# 720:10 Unique 1.95, 3.97 A)
&rst
ixpk= 720, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1154,1155,
igr2=1162,1163,
&end
#
# 70 GLN HB+ 70 GLN HE2+ 5.50 (# 721:10 Unique 1.95, 3.97 A)
&rst
ixpk= 721, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1154,1155,
igr2=1162,1163,
&end
#
# 0 AMB 10-2:722 0 AMB 10-1:722 3.50 (# 722:10 Double Ambig)
&rst
ixpk= 722, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1157,1158, 43, 44,
igr2=1162,1163,1162,1163,
&end
#
# 70 GLN HG- 70 GLN HE2- 3.50 (# 723:10 Unique 2.26, 3.34 A)
&rst
ixpk= 723, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1157,1158,
igr2=1162,1163,
&end
#
# 70 GLN HG- 70 GLN HE2+ 4.50 (# 724:10 Unique 2.26, 3.34 A)
&rst
ixpk= 724, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1157,1158,
igr2=1162,1163,
&end
#
# 81 ILE HB 70 GLN HE2- 3.50 (# 725:10 Unique 3.15, 3.97 A)
&rst
ixpk= 725, nxpk= 10, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1162,1163,
&end
#
# 0 AMB 10-2:726 0 AMB 10-1:726 4.50 (# 726:10 Double Ambig)
&rst
ixpk= 726, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1335,1080,1081,
igr2=1162,1163,1162,1163,
&end
#
# 66 LEU MDY 70 GLN HE2+ 5.50 (# 727:10 Unique 1.99, 4.95 A)
&rst
ixpk= 727, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1162,1163,
&end
#
# 66 LEU MDY 70 GLN HE2- 4.50 (# 728:10 Unique 1.99, 4.95 A)
&rst
ixpk= 728, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1162,1163,
&end
#
# 66 LEU MDX 70 GLN HE2- 5.50 (# 729:10 Unique 1.99, 4.95 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1162,1163,
&end
#
# 66 LEU MDX 70 GLN HE2+ 5.50 (# 730:10 Unique 1.99, 4.95 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1085,1086,1087,1089,1090,1091,
igr2=1162,1163,
&end
#
# 35 GLY HA+ 35 GLY HN 4.50 (# 731:10 Unique 2.59, 2.82 A)
&rst
ixpk= 731, nxpk= 10, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 594, 595,
&end
#
# 34 PHE HA 35 GLY HN 4.50 (# 732:10 Unique 2.91, 3.33 A)
&rst
ixpk= 732, nxpk= 10, iat= 574, 592, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:733 35 GLY HN 5.50 (# 733:10 Single Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 557, 618,
&end
#
# 35 GLY HA- 35 GLY HN 4.50 (# 734:10 Unique 2.59, 2.82 A)
&rst
ixpk= 734, nxpk= 10, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 594, 595,
&end
#
# 77 LYS HN 74 PHE HN 5.50 (# 735:10 Unique 2.87, 4.25 A)
&rst
ixpk= 735, nxpk= 10, iat=1261,1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:736 11 ILE HN 5.50 (# 736:10 Single Ambig)
&rst
ixpk= 736, nxpk= 10, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 154, 155, 154, 155,
&end
#
# 79 MET HB- 81 ILE HN 5.50 (# 737:10 Unique 4.79, 5.40 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1301,1302,
&end
#
# 70 GLN HE2- 81 ILE HN 5.50 (# 738:10 Unique 2.13, 3.52 A)
&rst
ixpk= 738, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1162,1163,
&end
#
# 12 ASN HB+ 12 ASN HN 5.50 (# 739:10 Unique 2.46, 3.24 A)
&rst
ixpk= 739, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 194, 195,
&end
#
# 28 TYR HN 27 LEU HN 4.50 (# 740:10 Unique 2.74, 2.83 A)
&rst
ixpk= 740, nxpk= 10, iat= 474, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ALA QB 52 ALA HN 5.50 (# 741:10 Unique 5.54, 6.68 A)
&rst
ixpk= 741, nxpk= 10, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 705, 706, 707,
&end
#
# 0 AMB 10-2:742 54 VAL HN 4.50 (# 742:10 Single Ambig)
&rst
ixpk= 742, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 141, 142, 181, 182,
&end
#
# 8 THR QG2 54 VAL HN 5.50 (# 743:10 Unique 2.76, 3.69 A)
&rst
ixpk= 743, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 123, 124, 125,
&end
#
# 56 PHE QD 57 LYS HN 5.50 (# 744:10 Unique 3.19, 4.68 A)
&rst
ixpk= 744, nxpk= 10, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 945, 953,
&end
#
# 72 PHE HN 71 GLY HN 5.50 (# 745:10 Unique 2.55, 2.86 A)
&rst
ixpk= 745, nxpk= 10, iat=1174,1167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:748 77 LYS HN 4.50 (# 748:10 Single Ambig)
&rst
ixpk= 748, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1268,1269,1268,1269,
&end
#
# 77 LYS HB+ 77 LYS HN 3.50 (# 749:10 Unique 2.60, 3.36 A)
&rst
ixpk= 749, nxpk= 10, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1265,1266,
&end
#
# 24 LYS HN 25 LYS HN 5.50 (# 750:10 Unique 2.81, 2.87 A)
&rst
ixpk= 750, nxpk= 10, iat= 400, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 GLN HG+ 6 ASN HN 7.00 (# 751:10 Unique 6.22, 7.04 A)
&rst
ixpk= 751, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 107, 108,
&end
#
# 33 GLN HN 32 SER HN 4.50 (# 752:10 Unique 2.58, 2.91 A)
&rst
ixpk= 752, nxpk= 10, iat= 555, 544, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LYS HG+ 24 LYS HN 4.50 (# 753:10 Unique 2.49, 3.84 A)
&rst
ixpk= 753, nxpk= 10, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 407, 408,
&end
#
# 0 AMB 10-2:754 24 LYS HN 4.50 (# 754:10 Single Ambig)
&rst
ixpk= 754, nxpk= 10, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 410, 411, 333, 334,
&end
#
# 0 AMB 10-2:755 7 GLN HN 5.50 (# 755:10 Single Ambig)
&rst
ixpk= 755, nxpk= 10, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1004,1005, 137, 138, 139,1007,1008,1009, 924, 925,
926,
&end
#
# 6 ASN HA 7 GLN HN 4.50 (# 756:10 Unique 2.12, 2.49 A)
&rst
ixpk= 756, nxpk= 10, iat= 88, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 SER HA 64 ASN HD2- 5.50 (# 760:10 Unique 4.26, 5.30 A)
&rst
ixpk= 760, nxpk= 10, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1061,1062,
&end
#
# 80 GLN HB- 80 GLN HE2+ 4.50 (# 761:10 Unique 2.53, 4.40 A)
&rst
ixpk= 761, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1318,1319,
igr2=1326,1327,
&end
#
# 80 GLN HB- 80 GLN HE2- 5.50 (# 762:10 Unique 2.53, 4.40 A)
&rst
ixpk= 762, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1318,1319,
igr2=1326,1327,
&end
#
# 0 AMB 10-2:764 0 AMB 10-1:764 5.50 (# 764:10 Double Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 603, 604, 811, 812, 811, 812,
igr2= 611, 612, 867, 868, 867, 868,
&end
#
# 0 AMB 10-2:765 76 ASP HN 5.50 (# 765:10 Single Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 279, 280, 279, 280,
&end
#
# 77 LYS HN 76 ASP HN 5.50 (# 766:10 Unique 2.83, 3.18 A)
&rst
ixpk= 766, nxpk= 10, iat=1261,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLN HN 52 ALA HN 5.50 (# 767:10 Unique 4.30, 4.37 A)
&rst
ixpk= 767, nxpk= 10, iat= 855, 872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:769 28 TYR HN 5.50 (# 769:10 Single Ambig)
&rst
ixpk= 769, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 476, 402,
&end
#
# 0 AMB 10-2:771 62 ALA HN 5.50 (# 771:10 Single Ambig)
&rst
ixpk= 771, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 941, 942, 996,
&end
#
# 0 AMB 10-2:772 8 THR HN 5.50 (# 772:10 Single Ambig)
&rst
ixpk= 772, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 90, 91, 90, 91,
&end
#
# 6 ASN HA 6 ASN HN 5.50 (# 773:10 Unique 2.63, 2.88 A)
&rst
ixpk= 773, nxpk= 10, iat= 88, 86, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ASN HB- 13 ASN HN 5.50 (# 774:10 Unique 2.19, 3.98 A)
&rst
ixpk= 774, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 194, 195,
&end
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