NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
512106 |
2l93   |
17435 | cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 19 TRP HN 18 THR HB 4.50 (# 3:20 Unique 2.40, 2.48 A)
&rst
ixpk= 3, nxpk= 20, iat= 276, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 25 THR HN 25 THR HB 4.50 (# 4:20 Unique 2.57, 2.62 A)
&rst
ixpk= 4, nxpk= 20, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 THR HN 16 THR HB 3.50 (# 5:20 Unique 2.24, 2.46 A)
&rst
ixpk= 5, nxpk= 20, iat= 226, 230, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 TYR HN 8 SER HB- 4.50 (# 6:20 Unique 2.25, 3.59 A)
&rst
ixpk= 6, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 119, 120,
&end
#
# 8 SER HN 8 SER HB+ 6.00 (# 7:20 Unique 2.75, 3.34 A)
&rst
ixpk= 7, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 28 VAL HN 28 VAL HA 4.50 (# 8:20 Unique 2.87, 2.88 A)
&rst
ixpk= 8, nxpk= 20, iat= 407, 409, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LYS HN 16 THR HA 4.50 (# 9:20 Unique 3.47, 3.51 A)
&rst
ixpk= 9, nxpk= 20, iat= 240, 228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ALA HN 4 PRO HA 2.80 (# 10:20 Unique 2.22, 2.36 A)
&rst
ixpk= 10, nxpk= 20, iat= 62, 58, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 LYS HN 45 ILE HA 4.50 (# 11:20 Unique 3.43, 3.56 A)
&rst
ixpk= 11, nxpk= 20, iat= 710, 693, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 ILE HN 45 ILE HA 6.00 (# 12:20 Unique 2.96, 3.00 A)
&rst
ixpk= 12, nxpk= 20, iat= 691, 693, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ALA HN 26 PRO HA 4.50 (# 13:20 Unique 2.24, 2.26 A)
&rst
ixpk= 13, nxpk= 20, iat= 397, 393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 ASP HN 10 VAL HA 2.80 (# 14:20 Unique 2.16, 2.25 A)
&rst
ixpk= 14, nxpk= 20, iat= 163, 149, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 VAL HN 10 VAL HA 6.00 (# 15:20 Unique 2.95, 2.98 A)
&rst
ixpk= 15, nxpk= 20, iat= 147, 149, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TRP HH2 25 THR HA 4.50 (# 16:20 Unique 2.73, 2.91 A)
&rst
ixpk= 16, nxpk= 20, iat= 291, 371, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 TRP HN 18 THR HA 3.50 (# 17:20 Unique 2.31, 2.35 A)
&rst
ixpk= 17, nxpk= 20, iat= 276, 264, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 GLU HN 41 GLU HA 3.50 (# 18:20 Unique 2.79, 2.83 A)
&rst
ixpk= 18, nxpk= 20, iat= 625, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 ASP HN 41 GLU HA 6.00 (# 19:20 Unique 3.46, 3.56 A)
&rst
ixpk= 19, nxpk= 20, iat= 640, 627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 LEU HN 41 GLU HA 6.00 (# 20:20 Unique 2.62, 2.90 A)
&rst
ixpk= 20, nxpk= 20, iat= 672, 627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HE 41 GLU HA 4.50 (# 21:20 Unique 3.72, 6.10 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 104, 109,
&end
#
# 30 LYS HN 30 LYS HA 4.50 (# 22:20 Unique 2.83, 2.84 A)
&rst
ixpk= 22, nxpk= 20, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 GLU HN 12 GLU HA 3.50 (# 23:20 Unique 2.82, 2.90 A)
&rst
ixpk= 23, nxpk= 20, iat= 175, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 LYS HN 31 LYS HA 3.50 (# 24:20 Unique 2.85, 2.88 A)
&rst
ixpk= 24, nxpk= 20, iat= 464, 466, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 MET HN 33 MET HA 4.50 (# 25:20 Unique 2.86, 2.89 A)
&rst
ixpk= 25, nxpk= 20, iat= 496, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LYS HN 33 MET HA 3.50 (# 26:20 Unique 2.43, 2.70 A)
&rst
ixpk= 26, nxpk= 20, iat= 567, 498, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 LEU HN 40 LEU HA 3.50 (# 27:20 Unique 2.77, 2.82 A)
&rst
ixpk= 27, nxpk= 20, iat= 606, 608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 PHE HD 40 LEU HA 3.50 (# 28:20 Unique 2.25, 4.49 A)
&rst
ixpk= 28, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 660, 668,
&end
#
# 34 GLU HN 34 GLU HA 3.50 (# 29:20 Unique 2.86, 2.88 A)
&rst
ixpk= 29, nxpk= 20, iat= 513, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 GLU HN 35 GLU HA 4.50 (# 30:20 Unique 2.95, 2.98 A)
&rst
ixpk= 30, nxpk= 20, iat= 528, 530, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ASP HN 42 ASP HA 4.50 (# 31:20 Unique 2.89, 2.91 A)
&rst
ixpk= 31, nxpk= 20, iat= 640, 642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 TYR HN 8 SER HA 3.50 (# 32:20 Unique 2.25, 2.33 A)
&rst
ixpk= 32, nxpk= 20, iat= 126, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 SER HN 7 TYR HA 3.50 (# 33:20 Unique 2.28, 2.35 A)
&rst
ixpk= 33, nxpk= 20, iat= 115, 96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 LYS HN 6 LYS HA 4.50 (# 35:20 Unique 2.90, 2.92 A)
&rst
ixpk= 35, nxpk= 20, iat= 72, 74, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 GLU HN 47 GLU HA 4.50 (# 36:20 Unique 2.30, 2.93 A)
&rst
ixpk= 36, nxpk= 20, iat= 732, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:37 47 GLU HA 3.50 (# 37:20 Single Ambig)
&rst
ixpk= 37, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 747, 766,
&end
#
# 24 ARG HN 24 ARG HA 4.50 (# 38:20 Unique 2.84, 2.89 A)
&rst
ixpk= 38, nxpk= 20, iat= 345, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 LYS HN 0 AMB 20-1:39 3.50 (# 39:20 Single Ambig)
&rst
ixpk= 39, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 712, 674,
&end
#
# 0 AMB 20-2:40 0 AMB 20-1:40 3.50 (# 40:20 Double Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 732, 94,
igr2= 712, 74,
&end
#
# 45 ILE HN 44 LEU HA 2.80 (# 41:20 Unique 2.07, 2.18 A)
&rst
ixpk= 41, nxpk= 20, iat= 691, 674, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 LEU HN 44 LEU HA 4.50 (# 42:20 Unique 2.82, 2.85 A)
&rst
ixpk= 42, nxpk= 20, iat= 672, 674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TYR HD 44 LEU HA 3.50 (# 43:20 Unique 2.20, 3.91 A)
&rst
ixpk= 43, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 102, 111,
&end
#
# 25 THR HN 24 ARG HA 2.80 (# 44:20 Unique 2.14, 2.20 A)
&rst
ixpk= 44, nxpk= 20, iat= 369, 347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 TYR HN 9 TYR HA 4.50 (# 45:20 Unique 2.92, 2.94 A)
&rst
ixpk= 45, nxpk= 20, iat= 126, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 VAL HN 9 TYR HA 3.50 (# 46:20 Unique 2.29, 2.38 A)
&rst
ixpk= 46, nxpk= 20, iat= 147, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 GLU HN 15 GLU HA 4.50 (# 47:20 Unique 2.77, 2.84 A)
&rst
ixpk= 47, nxpk= 20, iat= 211, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 THR HN 15 GLU HA 2.80 (# 48:20 Unique 2.07, 2.15 A)
&rst
ixpk= 48, nxpk= 20, iat= 226, 213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 GLN HN 38 LYS HA 2.80 (# 49:20 Unique 2.33, 2.41 A)
&rst
ixpk= 49, nxpk= 20, iat= 589, 569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 LYS HN 38 LYS HA 4.50 (# 50:20 Unique 2.90, 2.92 A)
&rst
ixpk= 50, nxpk= 20, iat= 567, 569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:51 48 LEU HA 2.80 (# 51:20 Single Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 766, 747,
&end
#
# 0 AMB 20-2:52 32 ALA HA 3.50 (# 52:20 Single Ambig)
&rst
ixpk= 52, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 486, 543,
&end
#
# 23 GLY HN 22 GLN HA 4.50 (# 53:20 Unique 2.26, 2.33 A)
&rst
ixpk= 53, nxpk= 20, iat= 338, 323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 THR HN 17 LYS HA 6.00 (# 54:20 Unique 2.29, 2.35 A)
&rst
ixpk= 54, nxpk= 20, iat= 262, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 ALA HN 5 ALA HA 6.00 (# 55:20 Unique 2.87, 2.92 A)
&rst
ixpk= 55, nxpk= 20, iat= 62, 64, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 LYS HN 5 ALA HA 2.80 (# 56:20 Unique 2.23, 2.34 A)
&rst
ixpk= 56, nxpk= 20, iat= 72, 64, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 2 ALA HN 1 ALA HA 6.00 (# 57:20 Unique 2.30, 2.34 A)
&rst
ixpk= 57, nxpk= 20, iat= 14, 6, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 ARG HN 2 ALA HA 4.50 (# 58:20 Unique 2.38, 2.73 A)
&rst
ixpk= 58, nxpk= 20, iat= 24, 16, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLY HN 0 AMB 20-1:59 2.80 (# 59:20 Single Ambig)
&rst
ixpk= 59, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 562, 563, 562, 563,
&end
#
# 38 LYS HN 0 AMB 20-1:60 4.50 (# 60:20 Single Ambig)
&rst
ixpk= 60, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:61 14 GLY HA- 3.50 (# 61:20 Single Ambig)
&rst
ixpk= 61, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 211, 204,
igr2= 206, 207,
&end
#
# 0 AMB 20-2:62 0 AMB 20-1:62 2.80 (# 62:20 Double Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 211, 204,
igr2= 206, 207, 206, 207,
&end
#
# 24 ARG HN 23 GLY HA- 3.50 (# 63:20 Unique 2.17, 2.66 A)
&rst
ixpk= 63, nxpk= 20, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 340, 341,
&end
#
# 23 GLY HN 23 GLY HA+ 6.00 (# 64:20 Unique 2.31, 2.61 A)
&rst
ixpk= 64, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 340, 341,
&end
#
# 24 ARG HN 23 GLY HA+ 4.50 (# 65:20 Unique 2.17, 2.66 A)
&rst
ixpk= 65, nxpk= 20, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 340, 341,
&end
#
# 7 TYR HE 21 GLY HA- 4.50 (# 66:20 Unique 2.20, 4.39 A)
&rst
ixpk= 66, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 104, 109,
igr2= 316, 317,
&end
#
# 44 LEU HN 44 LEU HB- 3.50 (# 67:20 Unique 2.02, 2.65 A)
&rst
ixpk= 67, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 676, 677,
&end
#
# 44 LEU HN 44 LEU HB+ 4.50 (# 68:20 Unique 2.02, 2.65 A)
&rst
ixpk= 68, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 0 AMB 20-2:71 0 AMB 20-1:71 4.50 (# 71:20 Double Ambig)
&rst
ixpk= 71, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 766, 747,
igr2= 751, 752, 751, 752,
&end
#
# 0 AMB 20-2:72 48 LEU HB- 4.50 (# 72:20 Single Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 766, 747,
igr2= 751, 752,
&end
#
# 7 TYR HD 7 TYR HB- 4.50 (# 74:20 Unique 2.34, 3.07 A)
&rst
ixpk= 74, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 102, 111,
igr2= 98, 99,
&end
#
# 7 TYR HD 7 TYR HB+ 4.50 (# 75:20 Unique 2.34, 3.07 A)
&rst
ixpk= 75, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 102, 111,
igr2= 98, 99,
&end
#
# 0 AMB 20-2:76 0 AMB 20-1:76 6.00 (# 76:20 Double Ambig)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 94, 732,
igr2= 98, 99, 723, 724,
&end
#
# 12 GLU HN 11 ASP HB- 3.50 (# 78:20 Unique 2.36, 3.24 A)
&rst
ixpk= 78, nxpk= 20, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 167, 168,
&end
#
# 12 GLU HN 11 ASP HB+ 4.50 (# 80:20 Unique 2.36, 3.24 A)
&rst
ixpk= 80, nxpk= 20, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 167, 168,
&end
#
# 11 ASP HN 11 ASP HB+ 4.50 (# 81:20 Unique 2.46, 3.03 A)
&rst
ixpk= 81, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 167, 168,
&end
#
# 40 LEU HN 40 LEU HB+ 3.50 (# 83:20 Unique 2.07, 2.92 A)
&rst
ixpk= 83, nxpk= 20, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 610, 611,
&end
#
# 41 GLU HN 40 LEU HB+ 4.50 (# 84:20 Unique 2.79, 3.30 A)
&rst
ixpk= 84, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 610, 611,
&end
#
# 40 LEU HN 40 LEU HB- 3.50 (# 86:20 Unique 2.07, 2.92 A)
&rst
ixpk= 86, nxpk= 20, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 610, 611,
&end
#
# 41 GLU HN 40 LEU HB- 4.50 (# 87:20 Unique 2.79, 3.30 A)
&rst
ixpk= 87, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 610, 611,
&end
#
# 42 ASP HN 42 ASP HB- 3.50 (# 88:20 Unique 2.38, 2.70 A)
&rst
ixpk= 88, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 644, 645,
&end
#
# 42 ASP HN 42 ASP HB+ 4.50 (# 89:20 Unique 2.38, 2.70 A)
&rst
ixpk= 89, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 644, 645,
&end
#
# 9 TYR HD 9 TYR HB- 3.50 (# 90:20 Unique 2.39, 3.08 A)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 134, 143,
igr2= 130, 131,
&end
#
# 10 VAL HN 9 TYR HB+ 4.50 (# 91:20 Unique 2.11, 2.97 A)
&rst
ixpk= 91, nxpk= 20, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 130, 131,
&end
#
# 9 TYR HD 9 TYR HB+ 3.50 (# 92:20 Unique 2.39, 3.08 A)
&rst
ixpk= 92, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 134, 143,
igr2= 130, 131,
&end
#
# 10 VAL HN 9 TYR HB- 4.50 (# 93:20 Unique 2.11, 2.97 A)
&rst
ixpk= 93, nxpk= 20, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 130, 131,
&end
#
# 43 PHE HD 43 PHE HB- 4.50 (# 94:20 Unique 2.39, 3.08 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 660, 668,
igr2= 656, 657,
&end
#
# 43 PHE HN 43 PHE HB+ 4.50 (# 95:20 Unique 2.46, 3.12 A)
&rst
ixpk= 95, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 656, 657,
&end
#
# 43 PHE HD 43 PHE HB+ 4.50 (# 96:20 Unique 2.39, 3.08 A)
&rst
ixpk= 96, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 660, 668,
igr2= 656, 657,
&end
#
# 7 TYR HD 43 PHE HB+ 4.50 (# 97:20 Unique 2.19, 4.87 A)
&rst
ixpk= 97, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 102, 111,
igr2= 656, 657,
&end
#
# 13 ASN HN 0 AMB 20-1:98 3.50 (# 98:20 Single Ambig)
&rst
ixpk= 98, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 194, 195, 194, 195,
&end
#
# 0 AMB 20-2:99 0 AMB 20-1:99 3.50 (# 99:20 Double Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 199, 200, 199, 200,
igr2= 194, 195, 194, 195,
&end
#
# 13 ASN HD2- 0 AMB 20-1:100 4.50 (# 100:20 Single Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 199, 200,
igr2= 194, 195, 194, 195,
&end
#
# 45 ILE HN 45 ILE HB 4.50 (# 101:20 Unique 2.64, 3.06 A)
&rst
ixpk= 101, nxpk= 20, iat= 691, 695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLU HN 34 GLU HG- 3.50 (# 102:20 Unique 2.23, 3.02 A)
&rst
ixpk= 102, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 520, 521,
&end
#
# 35 GLU HN 35 GLU HG+ 3.50 (# 103:20 Unique 2.31, 3.27 A)
&rst
ixpk= 103, nxpk= 20, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 535, 536,
&end
#
# 35 GLU HN 0 AMB 20-1:104 4.50 (# 104:20 Single Ambig)
&rst
ixpk= 104, nxpk= 20, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 535, 536, 520, 521,
&end
#
# 12 GLU HN 0 AMB 20-1:106 4.50 (# 106:20 Single Ambig)
&rst
ixpk= 106, nxpk= 20, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 182, 183, 182, 183,
&end
#
# 18 THR HN 17 LYS HB- 3.50 (# 107:20 Unique 1.99, 3.10 A)
&rst
ixpk= 107, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 244, 245,
&end
#
# 17 LYS HN 17 LYS HB+ 6.00 (# 108:20 Unique 2.78, 3.40 A)
&rst
ixpk= 108, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:109 0 AMB 20-1:109 3.50 (# 109:20 Double Ambig)
&rst
ixpk= 109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 589, 606,
igr2= 596, 597, 596, 597, 596, 597,
&end
#
# 36 GLN HN 36 GLN HG+ 6.00 (# 110:20 Unique 2.73, 3.53 A)
&rst
ixpk= 110, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 550, 551,
&end
#
# 22 GLN HN 0 AMB 20-1:111 6.00 (# 111:20 Single Ambig)
&rst
ixpk= 111, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 328, 329, 328, 329,
&end
#
# 33 MET HN 0 AMB 20-1:112 3.50 (# 112:20 Single Ambig)
&rst
ixpk= 112, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 500, 501, 500, 501,
&end
#
# 34 GLU HN 0 AMB 20-1:113 3.50 (# 113:20 Single Ambig)
&rst
ixpk= 113, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 500, 501, 500, 501,
&end
#
# 39 GLN HN 38 LYS HB- 4.50 (# 114:20 Unique 2.17, 2.93 A)
&rst
ixpk= 114, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 571, 572,
&end
#
# 46 LYS HN 46 LYS HB+ 6.00 (# 115:20 Unique 2.33, 2.76 A)
&rst
ixpk= 115, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 714, 715,
&end
#
# 46 LYS HN 46 LYS HB- 4.50 (# 116:20 Unique 2.33, 2.76 A)
&rst
ixpk= 116, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 714, 715,
&end
#
# 38 LYS HN 38 LYS HB+ 4.50 (# 117:20 Unique 2.26, 3.03 A)
&rst
ixpk= 117, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 571, 572,
&end
#
# 19 TRP HE3 19 TRP HB- 6.00 (# 118:20 Unique 2.46, 3.14 A)
&rst
ixpk= 118, nxpk= 20, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 280, 281,
&end
#
# 9 TYR HE 19 TRP HB- 4.50 (# 119:20 Unique 2.50, 6.01 A)
&rst
ixpk= 119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 136, 141,
igr2= 280, 281,
&end
#
# 19 TRP HE3 19 TRP HB+ 4.50 (# 120:20 Unique 2.46, 3.14 A)
&rst
ixpk= 120, nxpk= 20, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 280, 281,
&end
#
# 31 LYS HN 0 AMB 20-1:121 2.80 (# 121:20 Single Ambig)
&rst
ixpk= 121, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 468, 469, 468, 469,
&end
#
# 30 LYS HN 30 LYS HB- 3.50 (# 123:20 Unique 2.18, 2.49 A)
&rst
ixpk= 123, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 446, 447,
&end
#
# 30 LYS HN 30 LYS HB+ 4.50 (# 124:20 Unique 2.18, 2.49 A)
&rst
ixpk= 124, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 446, 447,
&end
#
# 10 VAL HN 10 VAL HB 4.50 (# 125:20 Unique 2.44, 2.81 A)
&rst
ixpk= 125, nxpk= 20, iat= 147, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 ALA HN 0 AMB 20-1:126 4.50 (# 126:20 Single Ambig)
&rst
ixpk= 126, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 468, 469, 468, 469,
&end
#
# 28 VAL HN 28 VAL HB 3.50 (# 127:20 Unique 2.49, 2.54 A)
&rst
ixpk= 127, nxpk= 20, iat= 407, 411, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 TYR HD 28 VAL HB 6.00 (# 128:20 Unique 2.42, 4.44 A)
&rst
ixpk= 128, nxpk= 20, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 134, 143,
&end
#
# 41 GLU HN 39 GLN HB- 6.00 (# 129:20 Unique 2.99, 3.34 A)
&rst
ixpk= 129, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 593, 594,
&end
#
# 0 AMB 20-2:130 39 GLN HB- 3.50 (# 130:20 Single Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 606, 589,
igr2= 593, 594,
&end
#
# 35 GLU HN 0 AMB 20-1:131 2.80 (# 131:20 Single Ambig)
&rst
ixpk= 131, nxpk= 20, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 532, 533, 532, 533,
&end
#
# 36 GLN HN 0 AMB 20-1:132 4.50 (# 132:20 Single Ambig)
&rst
ixpk= 132, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 532, 533, 532, 533,
&end
#
# 0 AMB 20-2:133 0 AMB 20-1:133 3.50 (# 133:20 Double Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 606, 589,
igr2= 593, 594, 593, 594,
&end
#
# 33 MET HN 33 MET HG- 3.50 (# 134:20 Unique 2.32, 3.01 A)
&rst
ixpk= 134, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 503, 504,
&end
#
# 33 MET HN 33 MET HG+ 4.50 (# 135:20 Unique 2.32, 3.01 A)
&rst
ixpk= 135, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 503, 504,
&end
#
# 15 GLU HN 0 AMB 20-1:136 3.50 (# 136:20 Single Ambig)
&rst
ixpk= 136, nxpk= 20, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 215, 216, 215, 216,
&end
#
# 24 ARG HN 0 AMB 20-1:137 4.50 (# 137:20 Single Ambig)
&rst
ixpk= 137, nxpk= 20, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 349, 350, 349, 350,
&end
#
# 34 GLU HN 34 GLU HB- 3.50 (# 138:20 Unique 2.36, 3.02 A)
&rst
ixpk= 138, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 517, 518,
&end
#
# 35 GLU HN 34 GLU HB+ 4.50 (# 139:20 Unique 2.52, 3.35 A)
&rst
ixpk= 139, nxpk= 20, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 517, 518,
&end
#
# 34 GLU HN 34 GLU HB+ 3.50 (# 140:20 Unique 2.36, 3.02 A)
&rst
ixpk= 140, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 517, 518,
&end
#
# 22 GLN HN 22 GLN HB+ 4.50 (# 141:20 Unique 2.38, 3.11 A)
&rst
ixpk= 141, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 325, 326,
&end
#
# 36 GLN HN 36 GLN HB- 4.50 (# 142:20 Unique 2.62, 3.27 A)
&rst
ixpk= 142, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 547, 548,
&end
#
# 47 GLU HN 47 GLU HB+ 4.50 (# 143:20 Unique 2.19, 3.15 A)
&rst
ixpk= 143, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 736, 737,
&end
#
# 0 AMB 20-2:144 0 AMB 20-1:144 3.50 (# 144:20 Double Ambig)
&rst
ixpk= 144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 766, 747,
igr2= 770, 771, 770, 771, 736, 737, 736, 737, 770, 771,
&end
#
# 41 GLU HN 0 AMB 20-1:145 3.50 (# 145:20 Single Ambig)
&rst
ixpk= 145, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 629, 630, 629, 630,
&end
#
# 12 GLU HN 12 GLU HB- 4.50 (# 146:20 Unique 2.28, 3.06 A)
&rst
ixpk= 146, nxpk= 20, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 179, 180,
&end
#
# 12 GLU HN 12 GLU HB+ 4.50 (# 147:20 Unique 2.28, 3.06 A)
&rst
ixpk= 147, nxpk= 20, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 179, 180,
&end
#
# 45 ILE HN 45 ILE HG1- 4.50 (# 148:20 Unique 1.88, 2.76 A)
&rst
ixpk= 148, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 701, 702,
&end
#
# 44 LEU HN 44 LEU HG 4.50 (# 149:20 Unique 2.87, 3.74 A)
&rst
ixpk= 149, nxpk= 20, iat= 672, 679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 TRP HZ3 40 LEU MDY 4.50 (# 151:20 Unique 2.24, 3.97 A)
&rst
ixpk= 151, nxpk= 20, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 45 ILE HN 0 AMB 20-1:152 6.00 (# 152:20 Single Ambig)
&rst
ixpk= 152, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 7 TYR HD 0 AMB 20-1:153 6.00 (# 153:20 Single Ambig)
&rst
ixpk= 153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 102, 111,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 7 TYR HE 0 AMB 20-1:154 6.00 (# 154:20 Single Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 104, 109,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 19 TRP HZ3 40 LEU MDX 4.50 (# 156:20 Unique 2.24, 3.97 A)
&rst
ixpk= 156, nxpk= 20, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 12 GLU HN 28 VAL MGY 6.00 (# 160:20 Unique 5.75, 7.79 A)
&rst
ixpk= 160, nxpk= 20, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 28 VAL HN 28 VAL MGY 3.50 (# 161:20 Unique 2.19, 3.86 A)
&rst
ixpk= 161, nxpk= 20, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 9 TYR HD 28 VAL MGY 3.50 (# 162:20 Unique 2.39, 5.28 A)
&rst
ixpk= 162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 134, 143,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 9 TYR HE 28 VAL MGY 4.50 (# 163:20 Unique 2.52, 6.04 A)
&rst
ixpk= 163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 136, 141,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 19 TRP HN 18 THR MG2 6.00 (# 165:20 Unique 3.69, 4.46 A)
&rst
ixpk= 165, nxpk= 20, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 268, 269, 270,
&end
#
# 18 THR HN 18 THR MG2 4.50 (# 166:20 Unique 2.88, 3.92 A)
&rst
ixpk= 166, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 268, 269, 270,
&end
#
# 17 LYS HN 16 THR MG2 4.50 (# 167:20 Unique 2.73, 3.92 A)
&rst
ixpk= 167, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 232, 233, 234,
&end
#
# 16 THR HN 16 THR MG2 6.00 (# 168:20 Unique 2.40, 4.48 A)
&rst
ixpk= 168, nxpk= 20, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 232, 233, 234,
&end
#
# 11 ASP HN 0 AMB 20-1:169 3.50 (# 169:20 Single Ambig)
&rst
ixpk= 169, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 10 VAL HN 0 AMB 20-1:170 3.50 (# 170:20 Single Ambig)
&rst
ixpk= 170, nxpk= 20, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 0 AMB 20-2:171 0 AMB 20-1:171 3.50 (# 171:20 Double Ambig)
&rst
ixpk= 171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 204, 211,
igr2= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 30 LYS HN 25 THR MG2 4.50 (# 172:20 Unique 2.48, 3.50 A)
&rst
ixpk= 172, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 375, 376, 377,
&end
#
# 19 TRP HH2 25 THR MG2 6.00 (# 173:20 Unique 2.61, 4.01 A)
&rst
ixpk= 173, nxpk= 20, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 375, 376, 377,
&end
#
# 0 AMB 20-2:174 28 VAL MGX 6.00 (# 174:20 Single Ambig)
&rst
ixpk= 174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 147, 397,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 28 VAL HN 28 VAL MGX 6.00 (# 175:20 Unique 2.19, 3.86 A)
&rst
ixpk= 175, nxpk= 20, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 5 ALA HN 5 ALA MB 3.50 (# 176:20 Unique 2.46, 3.29 A)
&rst
ixpk= 176, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 66, 67, 68,
&end
#
# 6 LYS HN 5 ALA MB 4.50 (# 177:20 Unique 2.45, 3.38 A)
&rst
ixpk= 177, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 66, 67, 68,
&end
#
# 33 MET HN 32 ALA MB 3.50 (# 178:20 Unique 2.68, 3.54 A)
&rst
ixpk= 178, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 490, 491, 492,
&end
#
# 32 ALA HN 32 ALA MB 2.80 (# 179:20 Unique 2.39, 2.86 A)
&rst
ixpk= 179, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 490, 491, 492,
&end
#
# 43 PHE HE 32 ALA MB 3.50 (# 180:20 Unique 2.47, 4.15 A)
&rst
ixpk= 180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 662, 666,
igr2= 490, 491, 492,
&end
#
# 43 PHE HZ 32 ALA MB 3.50 (# 181:20 Unique 2.24, 2.72 A)
&rst
ixpk= 181, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 490, 491, 492,
&end
#
# 27 ALA HN 27 ALA MB 4.50 (# 182:20 Unique 2.37, 2.84 A)
&rst
ixpk= 182, nxpk= 20, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 401, 402, 403,
&end
#
# 28 VAL HN 27 ALA MB 3.50 (# 183:20 Unique 2.61, 3.44 A)
&rst
ixpk= 183, nxpk= 20, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 401, 402, 403,
&end
#
# 45 ILE HN 45 ILE MG2 6.00 (# 184:20 Unique 2.89, 4.38 A)
&rst
ixpk= 184, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 697, 698, 699,
&end
#
# 46 LYS HN 45 ILE MG2 4.50 (# 185:20 Unique 3.72, 4.76 A)
&rst
ixpk= 185, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 697, 698, 699,
&end
#
# 40 LEU HN 33 MET ME 4.50 (# 186:20 Unique 2.77, 4.70 A)
&rst
ixpk= 186, nxpk= 20, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 507, 508, 509,
&end
#
# 43 PHE HD 29 ILE MG2 6.00 (# 187:20 Unique 2.70, 5.03 A)
&rst
ixpk= 187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 660, 668,
igr2= 429, 430, 431,
&end
#
# 43 PHE HE 29 ILE MG2 6.00 (# 188:20 Unique 2.84, 5.28 A)
&rst
ixpk= 188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 662, 666,
igr2= 429, 430, 431,
&end
#
# 9 TYR HD 29 ILE MD1 4.50 (# 189:20 Unique 2.41, 5.16 A)
&rst
ixpk= 189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 134, 143,
igr2= 436, 437, 438,
&end
#
# 19 TRP HE3 29 ILE MD1 6.00 (# 190:20 Unique 2.59, 3.65 A)
&rst
ixpk= 190, nxpk= 20, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 436, 437, 438,
&end
#
# 0 AMB 20-2:191 29 ILE MD1 6.00 (# 191:20 Single Ambig)
&rst
ixpk= 191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 293, 136, 141,
igr2= 436, 437, 438,
&end
#
# 8 SER HA 8 SER HB- 3.50 (# 198:20 Unique 2.38, 2.64 A)
&rst
ixpk= 198, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 8 SER HA 8 SER HB+ 3.50 (# 199:20 Unique 2.38, 2.64 A)
&rst
ixpk= 199, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 3 ARG HA 4 PRO HD+ 3.50 (# 201:20 Unique 2.10, 2.50 A)
&rst
ixpk= 201, nxpk= 20, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 49, 50,
&end
#
# 3 ARG HA 4 PRO HD- 3.50 (# 202:20 Unique 2.10, 2.50 A)
&rst
ixpk= 202, nxpk= 20, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 49, 50,
&end
#
# 44 LEU HA 44 LEU HB- 4.50 (# 203:20 Unique 2.09, 2.58 A)
&rst
ixpk= 203, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 41 GLU HA 44 LEU HB- 6.00 (# 204:20 Unique 2.17, 2.79 A)
&rst
ixpk= 204, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 44 LEU HA 44 LEU HB+ 4.50 (# 205:20 Unique 2.09, 2.58 A)
&rst
ixpk= 205, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 48 LEU HA 48 LEU HB+ 4.50 (# 206:20 Unique 2.32, 2.75 A)
&rst
ixpk= 206, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 751, 752,
&end
#
# 48 LEU HA 48 LEU HB- 4.50 (# 207:20 Unique 2.32, 2.75 A)
&rst
ixpk= 207, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 751, 752,
&end
#
# 7 TYR HA 7 TYR HB- 4.50 (# 208:20 Unique 2.38, 2.75 A)
&rst
ixpk= 208, nxpk= 20, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 98, 99,
&end
#
# 40 LEU HA 40 LEU HB+ 4.50 (# 212:20 Unique 2.34, 2.80 A)
&rst
ixpk= 212, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 610, 611,
&end
#
# 40 LEU HA 40 LEU HB- 4.50 (# 213:20 Unique 2.34, 2.80 A)
&rst
ixpk= 213, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 610, 611,
&end
#
# 42 ASP HA 42 ASP HB- 3.50 (# 214:20 Unique 2.49, 2.78 A)
&rst
ixpk= 214, nxpk= 20, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 644, 645,
&end
#
# 42 ASP HA 42 ASP HB+ 3.50 (# 215:20 Unique 2.49, 2.78 A)
&rst
ixpk= 215, nxpk= 20, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 644, 645,
&end
#
# 9 TYR HA 9 TYR HB- 3.50 (# 216:20 Unique 2.34, 2.41 A)
&rst
ixpk= 216, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 130, 131,
&end
#
# 9 TYR HA 9 TYR HB+ 3.50 (# 217:20 Unique 2.34, 2.41 A)
&rst
ixpk= 217, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 130, 131,
&end
#
# 13 ASN HA 0 AMB 20-1:218 2.80 (# 218:20 Single Ambig)
&rst
ixpk= 218, nxpk= 20, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 194, 195, 194, 195,
&end
#
# 41 GLU HA 41 GLU HG+ 4.50 (# 219:20 Unique 2.43, 3.16 A)
&rst
ixpk= 219, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 632, 633,
&end
#
# 41 GLU HA 41 GLU HG- 4.50 (# 220:20 Unique 2.43, 3.16 A)
&rst
ixpk= 220, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 632, 633,
&end
#
# 0 AMB 20-2:221 0 AMB 20-1:221 4.50 (# 221:20 Double Ambig)
&rst
ixpk= 221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 530, 642,
igr2= 535, 536, 632, 633,
&end
#
# 35 GLU HA 35 GLU HG- 3.50 (# 222:20 Unique 2.35, 3.01 A)
&rst
ixpk= 222, nxpk= 20, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 535, 536,
&end
#
# 34 GLU HA 34 GLU HG+ 4.50 (# 223:20 Unique 2.36, 3.16 A)
&rst
ixpk= 223, nxpk= 20, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 520, 521,
&end
#
# 15 GLU HA 15 GLU HG+ 8.00 (# 224:20 Unique 2.42, 3.49 A)
&rst
ixpk= 224, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 218, 219,
&end
#
# 15 GLU HA 15 GLU HG- 6.00 (# 225:20 Unique 2.42, 3.49 A)
&rst
ixpk= 225, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 218, 219,
&end
#
# 12 GLU HA 0 AMB 20-1:226 3.50 (# 226:20 Single Ambig)
&rst
ixpk= 226, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 182, 183, 182, 183,
&end
#
# 0 AMB 20-2:227 0 AMB 20-1:227 4.50 (# 227:20 Double Ambig)
&rst
ixpk= 227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 734, 749,
igr2= 739, 740, 739, 740,
&end
#
# 17 LYS HA 17 LYS HB- 3.50 (# 228:20 Unique 2.41, 2.81 A)
&rst
ixpk= 228, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:229 0 AMB 20-1:229 4.50 (# 229:20 Double Ambig)
&rst
ixpk= 229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 74, 302,
igr2= 76, 77, 76, 77,
&end
#
# 0 AMB 20-2:230 6 LYS HB- 4.50 (# 230:20 Single Ambig)
&rst
ixpk= 230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 74, 302,
igr2= 76, 77,
&end
#
# 0 AMB 20-2:231 0 AMB 20-1:231 3.50 (# 231:20 Double Ambig)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 591, 545,
igr2= 596, 597, 596, 597, 550, 551,
&end
#
# 36 GLN HA 36 GLN HG- 4.50 (# 232:20 Unique 2.52, 3.10 A)
&rst
ixpk= 232, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 550, 551,
&end
#
# 0 AMB 20-2:233 38 LYS HB- 3.50 (# 233:20 Single Ambig)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 569,
igr2= 571, 572,
&end
#
# 46 LYS HA 46 LYS HB+ 4.50 (# 234:20 Double Ambig)
&rst
ixpk= 234, nxpk= 20, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 714, 715,
&end
#
# 46 LYS HA 46 LYS HB- 4.50 (# 235:20 Single Ambig)
&rst
ixpk= 235, nxpk= 20, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 714, 715,
&end
#
# 0 AMB 20-2:236 0 AMB 20-1:236 3.50 (# 236:20 Double Ambig)
&rst
ixpk= 236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 498, 569,
igr2= 571, 572, 571, 572,
&end
#
# 19 TRP HA 19 TRP HB- 4.50 (# 237:20 Unique 2.40, 2.74 A)
&rst
ixpk= 237, nxpk= 20, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 280, 281,
&end
#
# 10 VAL HA 10 VAL HB 4.50 (# 238:20 Unique 2.33, 2.85 A)
&rst
ixpk= 238, nxpk= 20, iat= 149, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LYS HA 0 AMB 20-1:239 3.50 (# 239:20 Single Ambig)
&rst
ixpk= 239, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 468, 469, 468, 469,
&end
#
# 4 PRO HA 4 PRO HB- 3.50 (# 240:20 Unique 2.28, 2.61 A)
&rst
ixpk= 240, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 55, 56,
&end
#
# 4 PRO HA 4 PRO HB+ 6.00 (# 241:20 Unique 2.28, 2.61 A)
&rst
ixpk= 241, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 55, 56,
&end
#
# 39 GLN HA 39 GLN HB- 3.50 (# 242:20 Unique 2.49, 2.78 A)
&rst
ixpk= 242, nxpk= 20, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 593, 594,
&end
#
# 35 GLU HA 0 AMB 20-1:243 2.80 (# 243:20 Single Ambig)
&rst
ixpk= 243, nxpk= 20, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 532, 533, 532, 533,
&end
#
# 39 GLN HA 39 GLN HB+ 4.50 (# 244:20 Unique 2.49, 2.78 A)
&rst
ixpk= 244, nxpk= 20, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 593, 594,
&end
#
# 33 MET HA 33 MET HG- 4.50 (# 245:20 Unique 2.35, 2.76 A)
&rst
ixpk= 245, nxpk= 20, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 503, 504,
&end
#
# 33 MET HA 33 MET HG+ 3.50 (# 246:20 Unique 2.35, 2.76 A)
&rst
ixpk= 246, nxpk= 20, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 503, 504,
&end
#
# 15 GLU HA 0 AMB 20-1:247 3.50 (# 247:20 Single Ambig)
&rst
ixpk= 247, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 215, 216, 215, 216,
&end
#
# 24 ARG HA 0 AMB 20-1:248 3.50 (# 248:20 Single Ambig)
&rst
ixpk= 248, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 349, 350, 349, 350,
&end
#
# 34 GLU HA 34 GLU HB- 3.50 (# 249:20 Unique 2.29, 2.72 A)
&rst
ixpk= 249, nxpk= 20, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 517, 518,
&end
#
# 22 GLN HA 22 GLN HB- 3.50 (# 250:20 Unique 2.37, 2.75 A)
&rst
ixpk= 250, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 325, 326,
&end
#
# 34 GLU HA 34 GLU HB+ 3.50 (# 251:20 Unique 2.29, 2.72 A)
&rst
ixpk= 251, nxpk= 20, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 517, 518,
&end
#
# 22 GLN HA 22 GLN HB+ 4.50 (# 252:20 Unique 2.37, 2.75 A)
&rst
ixpk= 252, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 325, 326,
&end
#
# 36 GLN HA 36 GLN HB+ 3.50 (# 253:20 Unique 2.39, 2.75 A)
&rst
ixpk= 253, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 547, 548,
&end
#
# 32 ALA HA 36 GLN HB- 6.00 (# 254:20 Unique 2.27, 3.62 A)
&rst
ixpk= 254, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 547, 548,
&end
#
# 36 GLN HA 36 GLN HB- 4.50 (# 255:20 Unique 2.39, 2.75 A)
&rst
ixpk= 255, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 547, 548,
&end
#
# 47 GLU HA 47 GLU HB- 4.50 (# 256:20 Unique 2.37, 2.76 A)
&rst
ixpk= 256, nxpk= 20, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 736, 737,
&end
#
# 0 AMB 20-2:257 0 AMB 20-1:257 4.50 (# 257:20 Double Ambig)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 734, 749,
igr2= 736, 737, 770, 771, 770, 771,
&end
#
# 49 GLU HA 0 AMB 20-1:258 3.50 (# 258:20 Single Ambig)
&rst
ixpk= 258, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 770, 771, 770, 771,
&end
#
# 3 ARG HA 3 ARG HB- 6.00 (# 259:20 Unique 2.43, 2.77 A)
&rst
ixpk= 259, nxpk= 20, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 28, 29,
&end
#
# 41 GLU HA 0 AMB 20-1:262 2.80 (# 262:20 Single Ambig)
&rst
ixpk= 262, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 629, 630, 629, 630,
&end
#
# 12 GLU HA 12 GLU HB- 3.50 (# 263:20 Unique 2.49, 2.79 A)
&rst
ixpk= 263, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 179, 180,
&end
#
# 12 GLU HA 12 GLU HB+ 3.50 (# 264:20 Unique 2.49, 2.79 A)
&rst
ixpk= 264, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 179, 180,
&end
#
# 17 LYS HA 17 LYS HD+ 6.00 (# 265:20 Unique 2.19, 3.62 A)
&rst
ixpk= 265, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 250, 251,
&end
#
# 38 LYS HA 0 AMB 20-1:266 4.50 (# 266:20 Single Ambig)
&rst
ixpk= 266, nxpk= 20, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 577, 578, 577, 578,
&end
#
# 4 PRO HA 0 AMB 20-1:267 6.00 (# 267:20 Double Ambig)
&rst
ixpk= 267, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 52, 53, 52, 53,
&end
#
# 41 GLU HA 44 LEU HG 4.50 (# 268:20 Unique 2.34, 3.20 A)
&rst
ixpk= 268, nxpk= 20, iat= 627, 679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ARG HA 0 AMB 20-1:269 6.00 (# 269:20 Single Ambig)
&rst
ixpk= 269, nxpk= 20, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 31, 32, 31, 32,
&end
#
# 0 AMB 20-2:270 0 AMB 20-1:270 4.50 (# 270:20 Double Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 347, 608,
igr2= 352, 353, 613,
&end
#
# 0 AMB 20-2:272 38 LYS HG- 4.50 (# 272:20 Single Ambig)
&rst
ixpk= 272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 569, 498,
igr2= 574, 575,
&end
#
# 44 LEU HA 48 LEU MDY 6.00 (# 273:20 Unique 4.29, 6.29 A)
&rst
ixpk= 273, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 41 GLU HA 48 LEU MDY 4.50 (# 274:20 Unique 2.41, 4.47 A)
&rst
ixpk= 274, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:276 0 AMB 20-1:276 6.00 (# 276:20 Double Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 74, 302,
igr2= 79, 80, 79, 80,
&end
#
# 31 LYS HA 0 AMB 20-1:278 4.50 (# 278:20 Single Ambig)
&rst
ixpk= 278, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 471, 472, 471, 472,
&end
#
# 40 LEU HA 40 LEU MDY 6.00 (# 280:20 Unique 2.17, 3.66 A)
&rst
ixpk= 280, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 44 LEU HA 0 AMB 20-1:282 4.50 (# 282:20 Double Ambig)
&rst
ixpk= 282, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 41 GLU HA 0 AMB 20-1:283 6.00 (# 283:20 Single Ambig)
&rst
ixpk= 283, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 40 LEU HA 40 LEU MDX 3.50 (# 290:20 Unique 2.17, 3.66 A)
&rst
ixpk= 290, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 48 LEU HA 48 LEU MDX 4.50 (# 292:20 Unique 2.17, 3.88 A)
&rst
ixpk= 292, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:299 20 THR MG2 2.80 (# 299:20 Single Ambig)
&rst
ixpk= 299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 304, 302,
igr2= 306, 307, 308,
&end
#
# 5 ALA HA 20 THR MG2 4.50 (# 300:20 Unique 2.29, 3.43 A)
&rst
ixpk= 300, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 306, 307, 308,
&end
#
# 8 SER HA 18 THR MG2 4.50 (# 302:20 Unique 2.53, 3.98 A)
&rst
ixpk= 302, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 268, 269, 270,
&end
#
# 18 THR HA 18 THR MG2 3.50 (# 303:20 Unique 2.44, 3.07 A)
&rst
ixpk= 303, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 268, 269, 270,
&end
#
# 18 THR HB 18 THR MG2 2.80 (# 304:20 Unique 2.42, 2.65 A)
&rst
ixpk= 304, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 268, 269, 270,
&end
#
# 16 THR HA 16 THR MG2 3.50 (# 307:20 Unique 2.38, 3.29 A)
&rst
ixpk= 307, nxpk= 20, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 232, 233, 234,
&end
#
# 10 VAL HA 0 AMB 20-1:308 2.80 (# 308:20 Single Ambig)
&rst
ixpk= 308, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 14 GLY HA- 0 AMB 20-1:309 3.50 (# 309:20 Single Ambig)
&rst
ixpk= 309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 206, 207,
igr2= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 18 THR HB 5 ALA MB 3.50 (# 315:20 Unique 2.25, 2.70 A)
&rst
ixpk= 315, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 66, 67, 68,
&end
#
# 5 ALA HA 5 ALA MB 3.50 (# 316:20 Unique 2.45, 2.67 A)
&rst
ixpk= 316, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 66, 67, 68,
&end
#
# 32 ALA HA 32 ALA MB 2.80 (# 318:20 Unique 2.43, 2.66 A)
&rst
ixpk= 318, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 490, 491, 492,
&end
#
# 0 AMB 20-2:323 45 ILE MG2 6.00 (# 323:20 Single Ambig)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 674, 712,
igr2= 697, 698, 699,
&end
#
# 45 ILE HA 45 ILE MG2 3.50 (# 324:20 Unique 2.26, 3.00 A)
&rst
ixpk= 324, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 697, 698, 699,
&end
#
# 33 MET HA 33 MET ME 6.00 (# 325:20 Unique 4.65, 5.46 A)
&rst
ixpk= 325, nxpk= 20, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 507, 508, 509,
&end
#
# 39 GLN HA 33 MET ME 6.00 (# 326:20 Unique 2.27, 4.43 A)
&rst
ixpk= 326, nxpk= 20, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 507, 508, 509,
&end
#
# 40 LEU HA 33 MET ME 6.00 (# 327:20 Unique 2.88, 5.23 A)
&rst
ixpk= 327, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 507, 508, 509,
&end
#
# 44 LEU HA 45 ILE MD1 4.50 (# 328:20 Single Ambig)
&rst
ixpk= 328, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 704, 705, 706,
&end
#
# 7 TYR HA 44 LEU HA 3.50 (# 336:20 Unique 2.00, 2.32 A)
&rst
ixpk= 336, nxpk= 20, iat= 96, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 MET HG- 0 AMB 20-1:343 3.50 (# 343:20 Single Ambig)
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 503, 504,
igr2= 500, 501, 500, 501,
&end
#
# 0 AMB 20-2:344 0 AMB 20-1:344 4.50 (# 344:20 Double Ambig)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 444, 340, 341, 340, 341,
igr2= 500, 501, 500, 501, 328, 329, 328, 329,
&end
#
# 0 AMB 20-2:345 30 LYS HB- 4.50 (# 345:20 Single Ambig)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 399, 444,
igr2= 446, 447,
&end
#
# 0 AMB 20-2:346 0 AMB 20-1:346 4.50 (# 346:20 Double Ambig)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 399, 444,
igr2= 446, 447, 446, 447,
&end
#
# 28 VAL HA 0 AMB 20-1:347 4.50 (# 347:20 Single Ambig)
&rst
ixpk= 347, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 468, 469, 468, 469,
&end
#
# 28 VAL HA 28 VAL HB 4.50 (# 348:20 Unique 2.45, 2.86 A)
&rst
ixpk= 348, nxpk= 20, iat= 409, 411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 PRO HA 26 PRO HB- 3.50 (# 349:20 Unique 2.29, 2.68 A)
&rst
ixpk= 349, nxpk= 20, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 390, 391,
&end
#
# 0 AMB 20-2:351 0 AMB 20-1:351 3.50 (# 351:20 Double Ambig)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 34, 35, 34, 35, 355, 356, 355, 356, 355, 356,
igr2= 28, 29, 28, 29, 349, 350, 349, 350, 349, 350,
&end
#
# 0 AMB 20-2:352 0 AMB 20-1:352 3.50 (# 352:20 Double Ambig)
&rst
ixpk= 352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 477, 478, 477, 478, 477, 478, 455, 456, 455, 456,
igr2= 474, 475, 474, 475, 474, 475, 474, 475,
&end
#
# 0 AMB 20-2:353 0 AMB 20-1:353 4.50 (# 353:20 Double Ambig)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 455, 456, 455, 456, 455, 456, 477, 478,
igr2= 452, 453, 452, 453, 452, 453, 452, 453,
&end
#
# 0 AMB 20-2:354 0 AMB 20-1:354 3.50 (# 354:20 Double Ambig)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 85, 86, 85, 86, 85, 86,
igr2= 82, 83, 82, 83, 82, 83,
&end
#
# 45 ILE HA 45 ILE HG1+ 4.50 (# 357:20 Unique 2.63, 3.30 A)
&rst
ixpk= 357, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 701, 702,
&end
#
# 0 AMB 20-2:358 0 AMB 20-1:358 4.50 (# 358:20 Double Ambig)
&rst
ixpk= 358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 253, 254, 253, 254,
igr2= 250, 251, 250, 251,
&end
#
# 0 AMB 20-2:359 0 AMB 20-1:359 6.00 (# 359:20 Double Ambig)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 580, 581, 580, 581,
igr2= 577, 578, 577, 578,
&end
#
# 0 AMB 20-2:360 0 AMB 20-1:360 3.50 (# 360:20 Double Ambig)
&rst
ixpk= 360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 49, 50, 49, 50,
igr2= 52, 53, 52, 53,
&end
#
# 4 PRO HD- 0 AMB 20-1:361 3.50 (# 361:20 Single Ambig)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 49, 50,
igr2= 52, 53, 52, 53,
&end
#
# 0 AMB 20-2:363 0 AMB 20-1:363 4.50 (# 363:20 Double Ambig)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
igr1= 253, 254, 253, 254, 455, 456, 455, 456, 477, 478,
igr2= 247, 248, 247, 248, 449, 450, 449, 450, 449, 450,
&end
#
# 0 AMB 20-2:364 0 AMB 20-1:364 6.00 (# 364:20 Double Ambig)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 85, 86, 85, 86, 85, 86,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 0 AMB 20-2:365 0 AMB 20-1:365 4.50 (# 365:20 Double Ambig)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 444, 399,
igr2= 449, 450, 449, 450,
&end
#
# 30 LYS HA 30 LYS HG- 4.50 (# 366:20 Unique 2.63, 3.19 A)
&rst
ixpk= 366, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 449, 450,
&end
#
# 9 TYR HB+ 28 VAL MGY 6.00 (# 367:20 Unique 2.40, 4.83 A)
&rst
ixpk= 367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 130, 131,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 28 VAL HA 28 VAL MGY 3.50 (# 368:20 Unique 2.41, 3.26 A)
&rst
ixpk= 368, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 8 SER HB- 18 THR MG2 4.50 (# 370:20 Unique 2.19, 3.86 A)
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 119, 120,
igr2= 268, 269, 270,
&end
#
# 16 THR HB 16 THR MG2 2.80 (# 371:20 Unique 2.35, 2.64 A)
&rst
ixpk= 371, nxpk= 20, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 232, 233, 234,
&end
#
# 0 AMB 20-2:373 0 AMB 20-1:373 3.50 (# 373:20 Double Ambig)
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 206, 207, 206, 207,
igr2= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 25 THR HB 25 THR MG2 3.50 (# 374:20 Unique 2.44, 2.67 A)
&rst
ixpk= 374, nxpk= 20, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 375, 376, 377,
&end
#
# 25 THR HA 25 THR MG2 3.50 (# 375:20 Unique 2.45, 3.11 A)
&rst
ixpk= 375, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 375, 376, 377,
&end
#
# 28 VAL HA 28 VAL MGX 3.50 (# 377:20 Unique 2.41, 3.26 A)
&rst
ixpk= 377, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 9 TYR HB- 28 VAL MGX 4.50 (# 378:20 Unique 2.40, 4.83 A)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 130, 131,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 9 TYR HB+ 28 VAL MGX 4.50 (# 379:20 Unique 2.40, 4.83 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 130, 131,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 30 LYS HA 25 THR MG2 4.50 (# 380:20 Unique 2.87, 3.86 A)
&rst
ixpk= 380, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 375, 376, 377,
&end
#
# 29 ILE HA 32 ALA MB 4.50 (# 383:20 Unique 2.58, 3.60 A)
&rst
ixpk= 383, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 490, 491, 492,
&end
#
# 27 ALA HA 27 ALA MB 2.80 (# 385:20 Unique 2.44, 2.66 A)
&rst
ixpk= 385, nxpk= 20, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 401, 402, 403,
&end
#
# 30 LYS HA 33 MET ME 4.50 (# 389:20 Unique 2.41, 4.76 A)
&rst
ixpk= 389, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 507, 508, 509,
&end
#
# 33 MET HG- 29 ILE MG2 6.00 (# 392:20 Unique 3.08, 4.57 A)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 503, 504,
igr2= 429, 430, 431,
&end
#
# 29 ILE HA 29 ILE MG2 4.50 (# 393:20 Unique 2.54, 3.19 A)
&rst
ixpk= 393, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 429, 430, 431,
&end
#
# 45 ILE HA 45 ILE MD1 6.00 (# 394:20 Unique 4.49, 4.92 A)
&rst
ixpk= 394, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 704, 705, 706,
&end
#
# 0 AMB 20-2:396 29 ILE MD1 4.50 (# 396:20 Single Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 656, 657, 98, 99, 280, 281,
igr2= 436, 437, 438,
&end
#
# 0 AMB 20-2:397 29 ILE MD1 4.50 (# 397:20 Single Ambig)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 130, 131, 98, 99,
igr2= 436, 437, 438,
&end
#
# 0 AMB 20-2:401 29 ILE MG2 2.80 (# 401:20 Single Ambig)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 615, 616, 617, 619, 620, 621, 375, 376, 377,
igr2= 429, 430, 431,
&end
#
# 29 ILE HB 29 ILE MG2 3.50 (# 404:20 Unique 2.39, 2.67 A)
&rst
ixpk= 404, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 429, 430, 431,
&end
#
# 17 LYS HG+ 17 LYS HB+ 4.50 (# 412:20 Unique 2.38, 2.68 A)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 247, 248,
igr2= 244, 245,
&end
#
# 17 LYS HG- 17 LYS HB+ 4.50 (# 413:20 Unique 2.38, 2.68 A)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 247, 248,
igr2= 244, 245,
&end
#
# 45 ILE HB 45 ILE HG1+ 4.50 (# 415:20 Unique 2.44, 2.77 A)
&rst
ixpk= 415, nxpk= 20, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 701, 702,
&end
#
# 0 AMB 20-2:417 48 LEU MDY 4.50 (# 417:20 Single Ambig)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 629, 630, 629, 630,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:418 48 LEU MDY 3.50 (# 418:20 Single Ambig)
&rst
ixpk= 418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 679, 676, 677, 610, 611,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:419 48 LEU MDY 2.80 (# 419:20 Single Ambig)
&rst
ixpk= 419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 676, 677, 751, 752,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 33 MET ME 40 LEU MDY 6.00 (# 421:20 Unique 2.30, 4.51 A)
&rst
ixpk= 421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 507, 508, 509,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 20-2:422 0 AMB 20-1:422 2.80 (# 422:20 Double Ambig)
&rst
ixpk= 422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 679, 676, 677, 610, 611, 610, 611,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 0 AMB 20-2:423 0 AMB 20-1:423 3.50 (# 423:20 Double Ambig)
&rst
ixpk= 423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 754, 676, 677, 676, 677, 751, 752, 751, 752,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 0 AMB 20-2:426 40 LEU MDY 2.80 (# 426:20 Single Ambig)
&rst
ixpk= 426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 613, 610, 611,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 33 MET ME 40 LEU MDX 6.00 (# 428:20 Unique 2.30, 4.51 A)
&rst
ixpk= 428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 507, 508, 509,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 20-2:429 40 LEU MDX 2.80 (# 429:20 Single Ambig)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 613, 610, 611,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 20-2:430 48 LEU MDX 3.50 (# 430:20 Single Ambig)
&rst
ixpk= 430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 676, 677, 754, 751, 752,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 48 LEU HB- 48 LEU MDX 4.50 (# 431:20 Single Ambig)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 751, 752,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 10 VAL HB 0 AMB 20-1:436 2.80 (# 436:20 Single Ambig)
&rst
ixpk= 436, nxpk= 20, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 28 VAL HB 28 VAL MGX 3.50 (# 437:20 Unique 2.40, 2.67 A)
&rst
ixpk= 437, nxpk= 20, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 33 MET ME 25 THR MG2 6.00 (# 438:20 Unique 2.67, 4.83 A)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 507, 508, 509,
igr2= 375, 376, 377,
&end
#
# 45 ILE HB 45 ILE MG2 3.50 (# 440:20 Unique 2.42, 2.67 A)
&rst
ixpk= 440, nxpk= 20, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 697, 698, 699,
&end
#
# 45 ILE HG1- 45 ILE MG2 4.50 (# 441:20 Unique 2.40, 3.54 A)
&rst
ixpk= 441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 701, 702,
igr2= 697, 698, 699,
&end
#
# 33 MET ME 29 ILE MG2 4.50 (# 443:20 Unique 2.28, 4.60 A)
&rst
ixpk= 443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 507, 508, 509,
igr2= 429, 430, 431,
&end
#
# 45 ILE HB 45 ILE MD1 3.50 (# 444:20 Unique 2.42, 3.12 A)
&rst
ixpk= 444, nxpk= 20, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 704, 705, 706,
&end
#
# 45 ILE HG1- 45 ILE MD1 2.80 (# 445:20 Unique 2.32, 2.64 A)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 701, 702,
igr2= 704, 705, 706,
&end
#
# 5 ALA MB 45 ILE MD1 6.00 (# 446:20 Unique 2.89, 5.25 A)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 66, 67, 68,
igr2= 704, 705, 706,
&end
#
# 18 THR MG2 45 ILE MD1 3.50 (# 447:20 Unique 2.94, 4.76 A)
&rst
ixpk= 447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 268, 269, 270,
igr2= 704, 705, 706,
&end
#
# 5 ALA MB 18 THR HB 3.50 (# 461:20 Unique 2.25, 2.70 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 66, 67, 68,
&end
#
# 18 THR MG2 18 THR HB 2.80 (# 462:20 Unique 2.42, 2.65 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 268, 269, 270,
&end
#
# 20 THR MG2 20 THR HB 2.80 (# 463:20 Unique 2.41, 2.66 A)
&rst
ixpk= 463, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 306, 307, 308,
&end
#
# 30 LYS HB+ 25 THR HB 4.50 (# 464:20 Unique 2.44, 3.61 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 446, 447,
&end
#
# 25 THR MG2 25 THR HB 2.80 (# 465:20 Unique 2.44, 2.67 A)
&rst
ixpk= 465, nxpk= 20, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 375, 376, 377,
&end
#
# 0 AMB 20-2:466 25 THR HB 6.00 (# 466:20 Single Ambig)
&rst
ixpk= 466, nxpk= 20, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 446, 447, 352, 353, 349, 350,
&end
#
# 16 THR MG2 16 THR HB 2.80 (# 467:20 Unique 2.35, 2.64 A)
&rst
ixpk= 467, nxpk= 20, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 232, 233, 234,
&end
#
# 18 THR MG2 8 SER HB- 6.00 (# 468:20 Unique 2.19, 3.86 A)
&rst
ixpk= 468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 268, 269, 270,
igr2= 119, 120,
&end
#
# 45 ILE HG1+ 8 SER HB- 4.50 (# 469:20 Unique 3.38, 4.81 A)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 701, 702,
igr2= 119, 120,
&end
#
# 45 ILE MD1 8 SER HB- 4.50 (# 470:20 Unique 2.14, 3.73 A)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 704, 705, 706,
igr2= 119, 120,
&end
#
# 18 THR MG2 8 SER HB+ 4.50 (# 471:20 Unique 2.19, 3.86 A)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 268, 269, 270,
igr2= 119, 120,
&end
#
# 45 ILE HG1+ 8 SER HB+ 4.50 (# 472:20 Unique 3.38, 4.81 A)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 701, 702,
igr2= 119, 120,
&end
#
# 45 ILE MD1 8 SER HB+ 4.50 (# 473:20 Unique 2.14, 3.73 A)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 704, 705, 706,
igr2= 119, 120,
&end
#
# 28 VAL HB 28 VAL HA 3.50 (# 474:20 Unique 2.45, 2.86 A)
&rst
ixpk= 474, nxpk= 20, iat= 411, 409, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 VAL MGY 28 VAL HA 3.50 (# 475:20 Unique 2.41, 3.26 A)
&rst
ixpk= 475, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 413, 414, 415, 417, 418, 419,
&end
#
# 28 VAL MGX 28 VAL HA 3.50 (# 476:20 Unique 2.41, 3.26 A)
&rst
ixpk= 476, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 413, 414, 415, 417, 418, 419,
&end
#
# 0 AMB 20-2:477 28 VAL HA 3.50 (# 477:20 Single Ambig)
&rst
ixpk= 477, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 468, 469, 468, 469,
&end
#
# 32 ALA MB 29 ILE HA 4.50 (# 478:20 Unique 2.58, 3.60 A)
&rst
ixpk= 478, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 490, 491, 492,
&end
#
# 29 ILE MG2 29 ILE HA 4.50 (# 479:20 Unique 2.54, 3.19 A)
&rst
ixpk= 479, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 429, 430, 431,
&end
#
# 16 THR MG2 16 THR HA 4.50 (# 480:20 Unique 2.38, 3.29 A)
&rst
ixpk= 480, nxpk= 20, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 232, 233, 234,
&end
#
# 0 AMB 20-2:481 16 THR HA 6.00 (# 481:20 Single Ambig)
&rst
ixpk= 481, nxpk= 20, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 0 AMB 20-2:482 4 PRO HA 6.00 (# 482:20 Single Ambig)
&rst
ixpk= 482, nxpk= 20, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 52, 53, 52, 53,
&end
#
# 4 PRO HB- 4 PRO HA 3.50 (# 483:20 Unique 2.28, 2.61 A)
&rst
ixpk= 483, nxpk= 20, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 55, 56,
&end
#
# 4 PRO HB+ 4 PRO HA 4.50 (# 484:20 Unique 2.28, 2.61 A)
&rst
ixpk= 484, nxpk= 20, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 55, 56,
&end
#
# 0 AMB 20-2:486 45 ILE HA 4.50 (# 486:20 Single Ambig)
&rst
ixpk= 486, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 695, 751, 752, 754,
&end
#
# 45 ILE HG1- 45 ILE HA 4.50 (# 487:20 Unique 2.63, 3.30 A)
&rst
ixpk= 487, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 701, 702,
&end
#
# 45 ILE HG1+ 45 ILE HA 4.50 (# 488:20 Unique 2.63, 3.30 A)
&rst
ixpk= 488, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 701, 702,
&end
#
# 0 AMB 20-2:489 45 ILE HA 3.50 (# 489:20 Single Ambig)
&rst
ixpk= 489, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 697, 698, 699, 756, 757, 758, 760, 761, 762,
&end
#
# 26 PRO HB- 26 PRO HA 3.50 (# 490:20 Unique 2.29, 2.68 A)
&rst
ixpk= 490, nxpk= 20, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 390, 391,
&end
#
# 10 VAL HB 10 VAL HA 4.50 (# 491:20 Unique 2.33, 2.85 A)
&rst
ixpk= 491, nxpk= 20, iat= 151, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:492 10 VAL HA 2.80 (# 492:20 Single Ambig)
&rst
ixpk= 492, nxpk= 20, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 26 PRO HD+ 25 THR HA 3.50 (# 493:20 Unique 2.12, 2.35 A)
&rst
ixpk= 493, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 384, 385,
&end
#
# 26 PRO HD- 25 THR HA 4.50 (# 494:20 Unique 2.12, 2.35 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 384, 385,
&end
#
# 0 AMB 20-2:495 25 THR HA 3.50 (# 495:20 Single Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 375, 376, 377, 615, 616, 617, 619, 620, 621,
&end
#
# 41 GLU HG- 41 GLU HA 3.50 (# 496:20 Unique 2.43, 3.16 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 632, 633,
&end
#
# 0 AMB 20-2:497 41 GLU HA 2.80 (# 497:20 Single Ambig)
&rst
ixpk= 497, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 629, 630, 629, 630,
&end
#
# 0 AMB 20-2:498 41 GLU HA 2.80 (# 498:20 Single Ambig)
&rst
ixpk= 498, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 676, 677, 679,
&end
#
# 0 AMB 20-2:499 41 GLU HA 6.00 (# 499:20 Single Ambig)
&rst
ixpk= 499, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 676, 677, 754,
&end
#
# 48 LEU MDY 41 GLU HA 3.50 (# 500:20 Unique 2.41, 4.47 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:501 30 LYS HA 4.50 (# 501:20 Single Ambig)
&rst
ixpk= 501, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 500, 501, 500, 501,
&end
#
# 30 LYS HB- 30 LYS HA 4.50 (# 502:20 Unique 2.32, 2.70 A)
&rst
ixpk= 502, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 446, 447,
&end
#
# 0 AMB 20-2:503 30 LYS HA 3.50 (# 503:20 Single Ambig)
&rst
ixpk= 503, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 446, 447, 449, 450,
&end
#
# 0 AMB 20-2:504 31 LYS HA 3.50 (# 504:20 Single Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 468, 469, 468, 469,
&end
#
# 0 AMB 20-2:505 31 LYS HA 6.00 (# 505:20 Single Ambig)
&rst
ixpk= 505, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 474, 475, 474, 475,
&end
#
# 0 AMB 20-2:506 31 LYS HA 4.50 (# 506:20 Single Ambig)
&rst
ixpk= 506, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 471, 472, 471, 472,
&end
#
# 30 LYS HG+ 31 LYS HA 6.00 (# 507:20 Unique 3.20, 3.94 A)
&rst
ixpk= 507, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 449, 450,
&end
#
# 33 MET HG+ 33 MET HA 3.50 (# 508:20 Unique 2.35, 2.76 A)
&rst
ixpk= 508, nxpk= 20, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 503, 504,
&end
#
# 0 AMB 20-2:509 33 MET HA 3.50 (# 509:20 Single Ambig)
&rst
ixpk= 509, nxpk= 20, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 500, 501, 500, 501,
&end
#
# 38 LYS HB+ 33 MET HA 4.50 (# 510:20 Unique 2.30, 3.84 A)
&rst
ixpk= 510, nxpk= 20, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 571, 572,
&end
#
# 40 LEU MDX 40 LEU HA 2.80 (# 511:20 Unique 2.17, 3.66 A)
&rst
ixpk= 511, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 20-2:512 12 GLU HA 2.80 (# 512:20 Single Ambig)
&rst
ixpk= 512, nxpk= 20, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 182, 183, 182, 183,
&end
#
# 12 GLU HB- 12 GLU HA 2.80 (# 513:20 Unique 2.49, 2.79 A)
&rst
ixpk= 513, nxpk= 20, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 179, 180,
&end
#
# 12 GLU HB+ 12 GLU HA 2.80 (# 514:20 Unique 2.49, 2.79 A)
&rst
ixpk= 514, nxpk= 20, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 179, 180,
&end
#
# 34 GLU HG- 34 GLU HA 4.50 (# 515:20 Unique 2.36, 3.16 A)
&rst
ixpk= 515, nxpk= 20, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 520, 521,
&end
#
# 35 GLU HG- 35 GLU HA 3.50 (# 516:20 Unique 2.35, 3.01 A)
&rst
ixpk= 516, nxpk= 20, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 535, 536,
&end
#
# 0 AMB 20-2:517 35 GLU HA 2.80 (# 517:20 Single Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 532, 533, 532, 533,
&end
#
# 0 AMB 20-2:518 0 AMB 20-1:518 2.80 (# 518:20 Double Ambig)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 535, 536, 644, 645,
igr2= 530, 642,
&end
#
# 47 GLU HG+ 47 GLU HA 4.50 (# 519:20 Unique 2.36, 2.97 A)
&rst
ixpk= 519, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 739, 740,
&end
#
# 0 AMB 20-2:520 49 GLU HA 3.50 (# 520:20 Single Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 770, 771, 770, 771,
&end
#
# 0 AMB 20-2:521 0 AMB 20-1:521 2.80 (# 521:20 Double Ambig)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 717, 718, 717, 718, 76, 77, 76, 77, 717, 718,
igr2= 712, 74,
&end
#
# 6 LYS HG+ 6 LYS HA 4.50 (# 522:20 Unique 2.46, 3.17 A)
&rst
ixpk= 522, nxpk= 20, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 79, 80,
&end
#
# 47 GLU HB+ 47 GLU HA 4.50 (# 524:20 Unique 2.37, 2.76 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 736, 737,
&end
#
# 0 AMB 20-2:525 0 AMB 20-1:525 2.80 (# 525:20 Double Ambig)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 676, 677, 714, 715, 679,
igr2= 674, 712,
&end
#
# 48 LEU MDY 44 LEU HA 4.50 (# 526:20 Unique 4.29, 6.29 A)
&rst
ixpk= 526, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:528 44 LEU HA 4.50 (# 528:20 Single Ambig)
&rst
ixpk= 528, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 0 AMB 20-2:529 24 ARG HA 2.80 (# 529:20 Single Ambig)
&rst
ixpk= 529, nxpk= 20, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 349, 350, 349, 350, 352, 353,
&end
#
# 30 LYS HB- 27 ALA HA 4.50 (# 530:20 Unique 2.32, 3.11 A)
&rst
ixpk= 530, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 446, 447,
&end
#
# 27 ALA MB 27 ALA HA 2.80 (# 531:20 Unique 2.44, 2.66 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 401, 402, 403,
&end
#
# 0 AMB 20-2:532 15 GLU HA 2.80 (# 532:20 Single Ambig)
&rst
ixpk= 532, nxpk= 20, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 215, 216, 215, 216,
&end
#
# 15 GLU HG+ 15 GLU HA 8.00 (# 533:20 Unique 2.42, 3.49 A)
&rst
ixpk= 533, nxpk= 20, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 218, 219,
&end
#
# 38 LYS HB- 38 LYS HA 3.50 (# 534:20 Unique 2.44, 2.79 A)
&rst
ixpk= 534, nxpk= 20, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 571, 572,
&end
#
# 0 AMB 20-2:535 38 LYS HA 4.50 (# 535:20 Single Ambig)
&rst
ixpk= 535, nxpk= 20, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 577, 578, 577, 578,
&end
#
# 0 AMB 20-2:536 38 LYS HA 3.50 (# 536:20 Single Ambig)
&rst
ixpk= 536, nxpk= 20, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 574, 575, 571, 572,
&end
#
# 48 LEU MDX 48 LEU HA 3.50 (# 537:20 Single Ambig)
&rst
ixpk= 537, nxpk= 20, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:538 32 ALA HA 4.50 (# 538:20 Single Ambig)
&rst
ixpk= 538, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 547, 548, 535, 536, 550, 551,
&end
#
# 0 AMB 20-2:539 32 ALA HA 3.50 (# 539:20 Single Ambig)
&rst
ixpk= 539, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 547, 548, 550, 551,
&end
#
# 0 AMB 20-2:540 32 ALA HA 6.00 (# 540:20 Single Ambig)
&rst
ixpk= 540, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 532, 533, 532, 533,
&end
#
# 32 ALA MB 32 ALA HA 2.80 (# 541:20 Unique 2.43, 2.66 A)
&rst
ixpk= 541, nxpk= 20, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 490, 491, 492,
&end
#
# 0 AMB 20-2:542 22 GLN HA 4.50 (# 542:20 Single Ambig)
&rst
ixpk= 542, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 328, 329, 328, 329,
&end
#
# 22 GLN HB- 22 GLN HA 4.50 (# 543:20 Unique 2.37, 2.75 A)
&rst
ixpk= 543, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 325, 326,
&end
#
# 22 GLN HB+ 22 GLN HA 4.50 (# 544:20 Unique 2.37, 2.75 A)
&rst
ixpk= 544, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 325, 326,
&end
#
# 5 ALA MB 5 ALA HA 2.80 (# 545:20 Unique 2.45, 2.67 A)
&rst
ixpk= 545, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 66, 67, 68,
&end
#
# 1 ALA MB 1 ALA HA 4.50 (# 546:20 Unique 2.46, 2.67 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 8, 9, 10,
&end
#
# 2 ALA MB 2 ALA HA 4.50 (# 547:20 Unique 2.41, 2.67 A)
&rst
ixpk= 547, nxpk= 20, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 18, 19, 20,
&end
#
# 0 AMB 20-2:548 0 AMB 20-1:548 6.00 (# 548:20 Double Ambig)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 28, 29, 55, 56,
igr2= 49, 50, 49, 50,
&end
#
# 0 AMB 20-2:549 4 PRO HD- 4.50 (# 549:20 Single Ambig)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 28, 29, 55, 56,
igr2= 49, 50,
&end
#
# 0 AMB 20-2:550 0 AMB 20-1:550 3.50 (# 550:20 Double Ambig)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 52, 53, 52, 53,
igr2= 49, 50, 49, 50,
&end
#
# 0 AMB 20-2:551 4 PRO HD- 3.50 (# 551:20 Single Ambig)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 52, 53, 52, 53,
igr2= 49, 50,
&end
#
# 0 AMB 20-2:552 4 PRO HD- 4.50 (# 552:20 Single Ambig)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 28, 29, 31, 32, 31, 32,
igr2= 49, 50,
&end
#
# 0 AMB 20-2:553 14 GLY HA- 4.50 (# 553:20 Single Ambig)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
igr2= 206, 207,
&end
#
# 0 AMB 20-2:554 0 AMB 20-1:554 3.50 (# 554:20 Double Ambig)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
igr2= 206, 207, 206, 207,
&end
#
# 0 AMB 20-2:557 0 AMB 20-1:557 4.50 (# 557:20 Double Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 250, 251, 250, 251,
igr2= 253, 254, 253, 254,
&end
#
# 17 LYS HG- 0 AMB 20-1:558 4.50 (# 558:20 Single Ambig)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 247, 248,
igr2= 253, 254, 253, 254,
&end
#
# 0 AMB 20-2:559 0 AMB 20-1:559 4.50 (# 559:20 Double Ambig)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 720, 721, 720, 721, 720, 721,
igr2= 723, 724, 723, 724, 723, 724,
&end
#
# 0 AMB 20-2:560 0 AMB 20-1:560 2.80 (# 560:20 Double Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 474, 475, 474, 475, 474, 475, 474, 475, 474, 475,
igr2= 477, 478, 477, 478, 477, 478, 455, 456, 455, 456,
&end
#
# 0 AMB 20-2:561 0 AMB 20-1:561 4.50 (# 561:20 Double Ambig)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 471, 472, 471, 472, 471, 472, 471, 472,
igr2= 477, 478, 477, 478, 477, 478, 455, 456,
&end
#
# 0 AMB 20-2:562 0 AMB 20-1:562 3.50 (# 562:20 Double Ambig)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 449, 450, 449, 450, 449, 450, 449, 450,
igr2= 455, 456, 455, 456, 477, 478, 477, 478,
&end
#
# 0 AMB 20-2:563 0 AMB 20-1:563 3.50 (# 563:20 Double Ambig)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 574, 575, 452, 453, 452, 453, 452, 453,
igr2= 580, 581, 455, 456, 455, 456, 455, 456,
&end
#
# 0 AMB 20-2:564 0 AMB 20-1:564 3.50 (# 564:20 Double Ambig)
&rst
ixpk= 564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 574, 575, 82, 83, 82, 83, 82, 83,
igr2= 580, 581, 85, 86, 85, 86, 85, 86,
&end
#
# 0 AMB 20-2:565 0 AMB 20-1:565 4.50 (# 565:20 Double Ambig)
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 76, 77, 574, 575,
igr2= 85, 86, 85, 86, 580, 581,
&end
#
# 0 AMB 20-2:566 0 AMB 20-1:566 4.50 (# 566:20 Double Ambig)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 79, 80, 79, 80,
igr2= 85, 86, 85, 86,
&end
#
# 6 LYS HG- 0 AMB 20-1:567 4.50 (# 567:20 Single Ambig)
&rst
ixpk= 567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 79, 80,
igr2= 85, 86, 85, 86,
&end
#
# 0 AMB 20-2:568 0 AMB 20-1:568 6.00 (# 568:20 Double Ambig)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
igr2= 85, 86, 85, 86, 85, 86,
&end
#
# 28 VAL MGY 11 ASP HB+ 8.00 (# 569:20 Unique 2.41, 5.89 A)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 413, 414, 415, 417, 418, 419,
igr2= 167, 168,
&end
#
# 38 LYS HB- 42 ASP HB- 6.00 (# 570:20 Unique 2.35, 4.02 A)
&rst
ixpk= 570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 571, 572,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:571 33 MET HG- 2.80 (# 571:20 Single Ambig)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 500, 501, 500, 501,
igr2= 503, 504,
&end
#
# 29 ILE MG2 33 MET HG- 4.50 (# 572:20 Unique 3.08, 4.57 A)
&rst
ixpk= 572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 429, 430, 431,
igr2= 503, 504,
&end
#
# 48 LEU MDY 44 LEU HB- 3.50 (# 573:20 Unique 2.26, 4.63 A)
&rst
ixpk= 573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 676, 677,
&end
#
# 0 AMB 20-2:574 44 LEU HB- 4.50 (# 574:20 Single Ambig)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
igr2= 676, 677,
&end
#
# 48 LEU MDY 44 LEU HB+ 3.50 (# 575:20 Unique 2.26, 4.63 A)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 676, 677,
&end
#
# 0 AMB 20-2:576 0 AMB 20-1:576 3.50 (# 576:20 Double Ambig)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
igr2= 676, 677, 676, 677,
&end
#
# 48 LEU MDY 48 LEU HB+ 3.50 (# 577:20 Unique 2.37, 3.34 A)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 751, 752,
&end
#
# 48 LEU MDY 48 LEU HB- 4.50 (# 578:20 Unique 2.37, 3.34 A)
&rst
ixpk= 578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 751, 752,
&end
#
# 0 AMB 20-2:579 0 AMB 20-1:579 2.80 (# 579:20 Double Ambig)
&rst
ixpk= 579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
620, 621,
igr2= 610, 611, 610, 611,
&end
#
# 0 AMB 20-2:580 40 LEU HB- 3.50 (# 580:20 Single Ambig)
&rst
ixpk= 580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
620, 621,
igr2= 610, 611,
&end
#
# 45 ILE MG2 45 ILE HB 3.50 (# 581:20 Unique 2.42, 2.67 A)
&rst
ixpk= 581, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 697, 698, 699,
&end
#
# 45 ILE MD1 45 ILE HB 4.50 (# 582:20 Unique 2.42, 3.12 A)
&rst
ixpk= 582, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 704, 705, 706,
&end
#
# 6 LYS HG- 6 LYS HB+ 6.00 (# 583:20 Unique 2.20, 2.76 A)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 79, 80,
igr2= 76, 77,
&end
#
# 25 THR MG2 30 LYS HB+ 8.00 (# 584:20 Unique 2.80, 4.19 A)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 375, 376, 377,
igr2= 446, 447,
&end
#
# 0 AMB 20-2:585 10 VAL HB 2.80 (# 585:20 Single Ambig)
&rst
ixpk= 585, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 28 VAL MGX 28 VAL HB 3.50 (# 586:20 Unique 2.40, 2.67 A)
&rst
ixpk= 586, nxpk= 20, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 413, 414, 415, 417, 418, 419,
&end
#
# 0 AMB 20-2:587 26 PRO HB- 4.50 (# 587:20 Single Ambig)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 387, 388, 427,
igr2= 390, 391,
&end
#
# 48 LEU MDY 0 AMB 20-1:588 4.50 (# 588:20 Single Ambig)
&rst
ixpk= 588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 82, 83, 82, 83,
&end
#
# 48 LEU MDY 0 AMB 20-1:589 4.50 (# 589:20 Single Ambig)
&rst
ixpk= 589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 629, 630, 629, 630,
&end
#
# 45 ILE MG2 45 ILE HG1- 4.50 (# 590:20 Unique 2.40, 3.54 A)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 697, 698, 699,
igr2= 701, 702,
&end
#
# 45 ILE MD1 45 ILE HG1- 3.50 (# 591:20 Unique 2.32, 2.64 A)
&rst
ixpk= 591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 704, 705, 706,
igr2= 701, 702,
&end
#
# 48 LEU MDY 44 LEU HG 6.00 (# 594:20 Unique 2.08, 4.91 A)
&rst
ixpk= 594, nxpk= 20, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 756, 757, 758, 760, 761, 762,
&end
#
# 40 LEU MDX 40 LEU HG 4.50 (# 595:20 Unique 2.38, 2.65 A)
&rst
ixpk= 595, nxpk= 20, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 6 LYS HG- 48 LEU HG 6.00 (# 596:20 Unique 5.34, 6.39 A)
&rst
ixpk= 596, nxpk= 20, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 79, 80,
&end
#
# 17 LYS HB+ 17 LYS HG+ 3.50 (# 601:20 Unique 2.38, 2.68 A)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 244, 245,
igr2= 247, 248,
&end
#
# 45 ILE MD1 5 ALA MB 4.50 (# 609:20 Unique 2.89, 5.25 A)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 704, 705, 706,
igr2= 66, 67, 68,
&end
#
# 28 VAL MGX 32 ALA MB 6.00 (# 610:20 Unique 3.46, 6.44 A)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 413, 414, 415, 417, 418, 419,
igr2= 490, 491, 492,
&end
#
# 40 LEU MDX 33 MET ME 3.50 (# 613:20 Unique 2.30, 4.51 A)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 507, 508, 509,
&end
#
# 29 ILE MG2 33 MET ME 4.50 (# 614:20 Unique 2.28, 4.60 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 429, 430, 431,
igr2= 507, 508, 509,
&end
#
# 32 ALA HA 36 GLN HB+ 6.00 (# 615:20 Unique 2.27, 3.62 A)
&rst
ixpk= 615, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 547, 548,
&end
#
# 0 AMB 20-2:616 4 PRO HB- 2.80 (# 616:20 Single Ambig)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 52, 53, 52, 53,
igr2= 55, 56,
&end
#
# 0 AMB 20-2:617 0 AMB 20-1:617 2.80 (# 617:20 Double Ambig)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 52, 53, 52, 53,
igr2= 55, 56, 55, 56,
&end
#
# 4 PRO HB- 0 AMB 20-1:618 2.80 (# 618:20 Single Ambig)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 55, 56,
igr2= 52, 53, 52, 53,
&end
#
# 0 AMB 20-2:619 0 AMB 20-1:619 2.80 (# 619:20 Double Ambig)
&rst
ixpk= 619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 55, 56, 55, 56,
igr2= 52, 53, 52, 53,
&end
#
# 6 LYS HG- 6 LYS HA 4.50 (# 620:20 Unique 2.46, 3.17 A)
&rst
ixpk= 620, nxpk= 20, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 79, 80,
&end
#
# 6 LYS HG+ 6 LYS HB+ 3.50 (# 621:20 Unique 2.20, 2.76 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 79, 80,
igr2= 76, 77,
&end
#
# 6 LYS HG+ 6 LYS HB- 3.50 (# 622:20 Unique 2.20, 2.76 A)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 79, 80,
igr2= 76, 77,
&end
#
# 6 LYS HG- 6 LYS HB- 6.00 (# 623:20 Unique 2.20, 2.76 A)
&rst
ixpk= 623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 79, 80,
igr2= 76, 77,
&end
#
# 7 TYR HN 7 TYR HA 6.00 (# 624:20 Unique 2.96, 2.97 A)
&rst
ixpk= 624, nxpk= 20, iat= 94, 96, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:625 7 TYR HA 4.50 (# 625:20 Single Ambig)
&rst
ixpk= 625, nxpk= 20, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 98, 99, 656, 657,
&end
#
# 7 TYR HB+ 7 TYR HA 6.00 (# 626:20 Unique 2.38, 2.75 A)
&rst
ixpk= 626, nxpk= 20, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 98, 99,
&end
#
# 7 TYR HD 7 TYR HA 6.00 (# 627:20 Unique 2.60, 3.62 A)
&rst
ixpk= 627, nxpk= 20, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 111,
&end
#
# 7 TYR HA 7 TYR HB+ 6.00 (# 628:20 Unique 2.38, 2.75 A)
&rst
ixpk= 628, nxpk= 20, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 98, 99,
&end
#
# 8 SER HN 8 SER HB- 6.00 (# 629:20 Unique 2.75, 3.34 A)
&rst
ixpk= 629, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 8 SER HB- 8 SER HA 4.50 (# 632:20 Unique 2.38, 2.64 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 119, 120,
&end
#
# 9 TYR HB+ 9 TYR HA 3.50 (# 633:20 Unique 2.34, 2.41 A)
&rst
ixpk= 633, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 130, 131,
&end
#
# 9 TYR HB- 9 TYR HA 3.50 (# 634:20 Unique 2.34, 2.41 A)
&rst
ixpk= 634, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 130, 131,
&end
#
# 11 ASP HN 11 ASP HB- 6.00 (# 635:20 Unique 2.46, 3.03 A)
&rst
ixpk= 635, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 167, 168,
&end
#
# 0 AMB 20-2:636 0 AMB 20-1:636 2.80 (# 636:20 Double Ambig)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 182, 183, 182, 183,
igr2= 179, 180, 179, 180,
&end
#
# 0 AMB 20-2:637 12 GLU HB- 2.80 (# 637:20 Single Ambig)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 182, 183, 182, 183,
igr2= 179, 180,
&end
#
# 0 AMB 20-2:638 0 AMB 20-1:638 2.80 (# 638:20 Double Ambig)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 179, 180, 179, 180,
igr2= 182, 183, 182, 183,
&end
#
# 12 GLU HB- 0 AMB 20-1:639 2.80 (# 639:20 Single Ambig)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 179, 180,
igr2= 182, 183, 182, 183,
&end
#
# 0 AMB 20-2:640 13 ASN HA 6.00 (# 640:20 Single Ambig)
&rst
ixpk= 640, nxpk= 20, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 194, 195, 194, 195,
&end
#
# 13 ASN HA 14 GLY HA- 6.00 (# 641:20 Unique 4.56, 4.87 A)
&rst
ixpk= 641, nxpk= 20, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 206, 207,
&end
#
# 17 LYS HN 17 LYS HA 8.00 (# 668:20 Unique 2.81, 2.96 A)
&rst
ixpk= 668, nxpk= 20, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 17 LYS HB- 17 LYS HA 6.00 (# 674:20 Unique 2.41, 2.81 A)
&rst
ixpk= 674, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 244, 245,
&end
#
# 17 LYS HD+ 17 LYS HA 8.00 (# 675:20 Unique 2.19, 3.62 A)
&rst
ixpk= 675, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 250, 251,
&end
#
# 0 AMB 20-2:676 17 LYS HA 6.00 (# 676:20 Single Ambig)
&rst
ixpk= 676, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 247, 248, 268, 269, 270,
&end
#
# 17 LYS HB+ 17 LYS HA 8.00 (# 679:20 Unique 2.41, 2.81 A)
&rst
ixpk= 679, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 244, 245,
&end
#
# 4 PRO HD- 3 ARG HB- 6.00 (# 682:20 Unique 2.22, 3.83 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 49, 50,
igr2= 28, 29,
&end
#
# 4 PRO HD- 3 ARG HB+ 8.00 (# 683:20 Unique 2.22, 3.83 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 49, 50,
igr2= 28, 29,
&end
#
# 3 ARG HA 3 ARG HB+ 6.00 (# 684:20 Unique 2.43, 2.77 A)
&rst
ixpk= 684, nxpk= 20, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 28, 29,
&end
#
# 7 TYR HD 40 LEU HG 8.00 (# 688:20 Unique 3.05, 6.10 A)
&rst
ixpk= 688, nxpk= 20, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 102, 111,
&end
#
# 41 GLU HN 40 LEU HG 6.00 (# 689:20 Unique 4.11, 4.95 A)
&rst
ixpk= 689, nxpk= 20, iat= 625, 613, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 LEU HN 40 LEU HG 6.00 (# 690:20 Unique 2.08, 3.48 A)
&rst
ixpk= 690, nxpk= 20, iat= 606, 613, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ARG HA 0 AMB 20-1:691 6.00 (# 691:20 Single Ambig)
&rst
ixpk= 691, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 355, 356, 355, 356,
&end
#
# 4 PRO HD- 4 PRO HA 6.00 (# 700:20 Unique 3.50, 3.79 A)
&rst
ixpk= 700, nxpk= 20, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 49, 50,
&end
#
# 4 PRO HD+ 4 PRO HA 6.00 (# 701:20 Unique 3.50, 3.79 A)
&rst
ixpk= 701, nxpk= 20, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 49, 50,
&end
#
# 4 PRO HD+ 4 PRO HB- 6.00 (# 703:20 Unique 2.77, 3.67 A)
&rst
ixpk= 703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 49, 50,
igr2= 55, 56,
&end
#
# 4 PRO HD- 4 PRO HB- 6.00 (# 704:20 Unique 2.77, 3.67 A)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 49, 50,
igr2= 55, 56,
&end
#
# 4 PRO HD- 4 PRO HB+ 6.00 (# 705:20 Unique 2.77, 3.67 A)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 49, 50,
igr2= 55, 56,
&end
#
# 5 ALA HN 4 PRO HB- 6.00 (# 706:20 Unique 2.52, 3.21 A)
&rst
ixpk= 706, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 55, 56,
&end
#
# 5 ALA HN 4 PRO HB+ 6.00 (# 707:20 Unique 2.52, 3.21 A)
&rst
ixpk= 707, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 55, 56,
&end
#
# 3 ARG HA 0 AMB 20-1:709 6.00 (# 709:20 Single Ambig)
&rst
ixpk= 709, nxpk= 20, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 52, 53, 52, 53,
&end
#
# 4 PRO HA 4 PRO HD+ 6.00 (# 714:20 Unique 3.50, 3.79 A)
&rst
ixpk= 714, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 49, 50,
&end
#
# 4 PRO HA 4 PRO HD- 6.00 (# 715:20 Unique 3.50, 3.79 A)
&rst
ixpk= 715, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 49, 50,
&end
#
# 5 ALA HA 4 PRO HD+ 6.00 (# 719:20 Unique 5.98, 6.55 A)
&rst
ixpk= 719, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 49, 50,
&end
#
# 5 ALA HA 4 PRO HD- 6.00 (# 720:20 Unique 5.98, 6.55 A)
&rst
ixpk= 720, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 49, 50,
&end
#
# 4 PRO HB- 4 PRO HD+ 6.00 (# 724:20 Unique 2.77, 3.67 A)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 55, 56,
igr2= 49, 50,
&end
#
# 4 PRO HB- 4 PRO HD- 6.00 (# 725:20 Unique 2.77, 3.67 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 55, 56,
igr2= 49, 50,
&end
#
# 3 ARG HB+ 4 PRO HD+ 6.00 (# 726:20 Unique 2.22, 3.83 A)
&rst
ixpk= 726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 28, 29,
igr2= 49, 50,
&end
#
# 5 ALA MB 4 PRO HD- 8.00 (# 727:20 Unique 6.40, 7.68 A)
&rst
ixpk= 727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 66, 67, 68,
igr2= 49, 50,
&end
#
# 7 TYR HN 5 ALA HA 6.00 (# 735:20 Unique 3.72, 3.83 A)
&rst
ixpk= 735, nxpk= 20, iat= 94, 64, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:736 5 ALA HA 8.00 (# 736:20 Single Ambig)
&rst
ixpk= 736, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 55, 56, 28, 29,
&end
#
# 6 LYS HG+ 5 ALA HA 8.00 (# 737:20 Unique 3.76, 6.02 A)
&rst
ixpk= 737, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 79, 80,
&end
#
# 7 TYR HN 5 ALA MB 6.00 (# 749:20 Unique 2.43, 3.73 A)
&rst
ixpk= 749, nxpk= 20, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 66, 67, 68,
&end
#
# 19 TRP HN 5 ALA MB 6.00 (# 750:20 Unique 2.58, 3.69 A)
&rst
ixpk= 750, nxpk= 20, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 66, 67, 68,
&end
#
# 7 TYR HE 44 LEU HA 6.00 (# 753:20 Unique 3.38, 4.87 A)
&rst
ixpk= 753, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 104, 109,
&end
#
# 47 GLU HB- 46 LYS HA 8.00 (# 757:20 Unique 3.95, 5.43 A)
&rst
ixpk= 757, nxpk= 20, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 736, 737,
&end
#
# 0 AMB 20-2:758 0 AMB 20-1:758 6.00 (# 758:20 Double Ambig)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 701, 702, 701, 702,
igr2= 674, 712,
&end
#
# 6 LYS HN 6 LYS HB+ 4.50 (# 760:20 Unique 2.67, 3.22 A)
&rst
ixpk= 760, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 76, 77,
&end
#
# 6 LYS HN 6 LYS HB- 4.50 (# 761:20 Unique 2.67, 3.22 A)
&rst
ixpk= 761, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 76, 77,
&end
#
# 7 TYR HN 6 LYS HB+ 6.00 (# 762:20 Unique 3.31, 4.12 A)
&rst
ixpk= 762, nxpk= 20, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 76, 77,
&end
#
# 7 TYR HN 6 LYS HB- 6.00 (# 763:20 Unique 3.31, 4.12 A)
&rst
ixpk= 763, nxpk= 20, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 76, 77,
&end
#
# 7 TYR HD 6 LYS HB+ 6.00 (# 764:20 Unique 2.57, 5.34 A)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 111,
igr2= 76, 77,
&end
#
# 7 TYR HD 6 LYS HB- 6.00 (# 765:20 Unique 2.57, 5.34 A)
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 111,
igr2= 76, 77,
&end
#
# 45 ILE MD1 6 LYS HB+ 6.00 (# 773:20 Unique 5.12, 7.05 A)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 704, 705, 706,
igr2= 76, 77,
&end
#
# 45 ILE MD1 6 LYS HB- 6.00 (# 774:20 Unique 5.12, 7.05 A)
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 704, 705, 706,
igr2= 76, 77,
&end
#
# 45 ILE HN 48 LEU MDY 6.00 (# 776:20 Unique 4.39, 6.65 A)
&rst
ixpk= 776, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 7 TYR HE 48 LEU MDY 6.00 (# 778:20 Unique 2.26, 7.10 A)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 104, 109,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 41 GLU HG+ 48 LEU MDY 6.00 (# 781:20 Unique 2.31, 5.49 A)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 632, 633,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:782 48 LEU MDY 2.80 (# 782:20 Single Ambig)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
igr2= 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:787 0 AMB 20-1:787 2.80 (# 787:20 Double Ambig)
&rst
ixpk= 787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 76, 77, 717, 718, 717, 718,
igr2= 79, 80, 79, 80, 79, 80,
&end
#
# 0 AMB 20-2:790 0 AMB 20-1:790 6.00 (# 790:20 Double Ambig)
&rst
ixpk= 790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 399, 444,
igr2= 474, 475, 474, 475, 474, 475,
&end
#
# 0 AMB 20-2:791 0 AMB 20-1:791 6.00 (# 791:20 Double Ambig)
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 444, 399,
igr2= 452, 453, 452, 453, 452, 453,
&end
#
# 31 LYS HA 0 AMB 20-1:792 6.00 (# 792:20 Single Ambig)
&rst
ixpk= 792, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 474, 475, 474, 475,
&end
#
# 7 TYR HE 0 AMB 20-1:794 6.00 (# 794:20 Single Ambig)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 104, 109,
igr2= 82, 83, 82, 83,
&end
#
# 0 AMB 20-2:800 0 AMB 20-1:800 2.80 (# 800:20 Double Ambig)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 449, 450, 449, 450,
igr2= 474, 475, 474, 475,
&end
#
# 0 AMB 20-2:801 0 AMB 20-1:801 2.80 (# 801:20 Double Ambig)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 446, 447, 446, 447, 449, 450, 449, 450,
igr2= 452, 453, 452, 453, 452, 453,
&end
#
# 0 AMB 20-2:802 0 AMB 20-1:802 6.00 (# 802:20 Double Ambig)
&rst
ixpk= 802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 701, 702, 701, 702,
igr2= 82, 83, 82, 83,
&end
#
# 0 AMB 20-2:803 0 AMB 20-1:803 6.00 (# 803:20 Double Ambig)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
igr2= 82, 83, 82, 83, 82, 83,
&end
#
# 7 TYR HE 0 AMB 20-1:805 6.00 (# 805:20 Single Ambig)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 104, 109,
igr2= 85, 86, 85, 86,
&end
#
# 28 VAL HA 0 AMB 20-1:809 6.00 (# 809:20 Single Ambig)
&rst
ixpk= 809, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 477, 478, 477, 478,
&end
#
# 45 ILE HG1- 7 TYR HA 6.00 (# 816:20 Unique 2.29, 3.19 A)
&rst
ixpk= 816, nxpk= 20, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 701, 702,
&end
#
# 0 AMB 20-2:817 0 AMB 20-1:817 6.00 (# 817:20 Double Ambig)
&rst
ixpk= 817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 199, 200, 295,
igr2= 167, 168, 98, 99,
&end
#
# 19 TRP HE3 7 TYR HB+ 4.50 (# 818:20 Unique 2.49, 2.85 A)
&rst
ixpk= 818, nxpk= 20, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 98, 99,
&end
#
# 7 TYR HN 7 TYR HB- 6.00 (# 819:20 Unique 2.73, 3.37 A)
&rst
ixpk= 819, nxpk= 20, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 98, 99,
&end
#
# 8 SER HN 7 TYR HB- 6.00 (# 820:20 Unique 2.49, 3.22 A)
&rst
ixpk= 820, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 98, 99,
&end
#
# 8 SER HN 7 TYR HB+ 6.00 (# 821:20 Unique 2.49, 3.22 A)
&rst
ixpk= 821, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 98, 99,
&end
#
# 0 AMB 20-2:823 0 AMB 20-1:823 6.00 (# 823:20 Double Ambig)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 136, 141, 293,
igr2= 167, 168, 98, 99,
&end
#
# 44 LEU HA 7 TYR HB- 8.00 (# 825:20 Single Ambig)
&rst
ixpk= 825, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 98, 99,
&end
#
# 0 AMB 20-2:826 0 AMB 20-1:826 8.00 (# 826:20 Double Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1= 74, 674, 712,
igr2= 723, 724, 723, 724, 98, 99, 723, 724,
&end
#
# 43 PHE HB- 7 TYR HB- 6.00 (# 827:20 Unique 2.80, 4.14 A)
&rst
ixpk= 827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 656, 657,
igr2= 98, 99,
&end
#
# 43 PHE HB- 7 TYR HB+ 6.00 (# 828:20 Unique 2.80, 4.14 A)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 656, 657,
igr2= 98, 99,
&end
#
# 7 TYR HD 7 TYR HE 3.50 (# 831:20 Unique 2.47, 3.73 A)
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 102, 111,
igr2= 104, 109,
&end
#
# 0 AMB 20-2:837 7 TYR HE 6.00 (# 837:20 Single Ambig)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 608, 627,
igr2= 104, 109,
&end
#
# 21 GLY HA- 7 TYR HE 6.00 (# 838:20 Unique 2.20, 4.39 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 316, 317,
igr2= 104, 109,
&end
#
# 0 AMB 20-2:839 7 TYR HE 4.50 (# 839:20 Single Ambig)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 610, 611, 676, 677, 679,
igr2= 104, 109,
&end
#
# 0 AMB 20-2:840 7 TYR HE 6.00 (# 840:20 Single Ambig)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 82, 83, 82, 83,
igr2= 104, 109,
&end
#
# 48 LEU MDY 7 TYR HE 6.00 (# 841:20 Unique 2.26, 7.10 A)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 104, 109,
&end
#
# 0 AMB 20-2:842 7 TYR HE 6.00 (# 842:20 Single Ambig)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 615, 616, 617, 619, 620, 621, 681, 682, 683, 685,
686, 687, 681, 682, 683, 685, 686, 687,
igr2= 104, 109,
&end
#
# 19 TRP HN 8 SER HA 6.00 (# 843:20 Unique 3.07, 3.51 A)
&rst
ixpk= 843, nxpk= 20, iat= 276, 117, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 TYR HD 8 SER HA 6.00 (# 844:20 Unique 3.25, 5.13 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 134, 143,
&end
#
# 18 THR HA 8 SER HA 3.50 (# 845:20 Unique 2.01, 2.08 A)
&rst
ixpk= 845, nxpk= 20, iat= 264, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 THR MG2 8 SER HA 6.00 (# 846:20 Unique 2.53, 3.98 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 268, 269, 270,
&end
#
# 18 THR HA 8 SER HB- 6.00 (# 847:20 Unique 2.69, 3.82 A)
&rst
ixpk= 847, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 18 THR HA 8 SER HB+ 6.00 (# 848:20 Unique 2.69, 3.82 A)
&rst
ixpk= 848, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 9 TYR HN 8 SER HB+ 6.00 (# 849:20 Unique 2.25, 3.59 A)
&rst
ixpk= 849, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 45 ILE HG1- 8 SER HB- 6.00 (# 858:20 Unique 3.38, 4.81 A)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 701, 702,
igr2= 119, 120,
&end
#
# 45 ILE HG1- 8 SER HB+ 6.00 (# 859:20 Unique 3.38, 4.81 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 701, 702,
igr2= 119, 120,
&end
#
# 45 ILE MG2 8 SER HB- 6.00 (# 860:20 Unique 2.38, 5.51 A)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 697, 698, 699,
igr2= 119, 120,
&end
#
# 45 ILE MG2 8 SER HB+ 6.00 (# 861:20 Unique 2.38, 5.51 A)
&rst
ixpk= 861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 697, 698, 699,
igr2= 119, 120,
&end
#
# 43 PHE HD 9 TYR HA 6.00 (# 862:20 Unique 2.61, 5.09 A)
&rst
ixpk= 862, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 660, 668,
&end
#
# 9 TYR HD 9 TYR HA 6.00 (# 863:20 Unique 4.11, 4.24 A)
&rst
ixpk= 863, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 134, 143,
&end
#
# 16 THR MG2 9 TYR HA 6.00 (# 866:20 Unique 5.18, 7.28 A)
&rst
ixpk= 866, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 232, 233, 234,
&end
#
# 0 AMB 20-2:867 9 TYR HA 6.00 (# 867:20 Single Ambig)
&rst
ixpk= 867, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 29 ILE MD1 9 TYR HA 8.00 (# 868:20 Unique 3.18, 5.39 A)
&rst
ixpk= 868, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 436, 437, 438,
&end
#
# 9 TYR HN 9 TYR HB+ 6.00 (# 870:20 Unique 3.29, 3.69 A)
&rst
ixpk= 870, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 130, 131,
&end
#
# 43 PHE HD 9 TYR HB- 4.50 (# 871:20 Unique 2.51, 5.18 A)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 660, 668,
igr2= 130, 131,
&end
#
# 43 PHE HD 9 TYR HB+ 6.00 (# 872:20 Unique 2.51, 5.18 A)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 660, 668,
igr2= 130, 131,
&end
#
# 43 PHE HE 9 TYR HB- 6.00 (# 873:20 Unique 2.97, 5.55 A)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 662, 666,
igr2= 130, 131,
&end
#
# 9 TYR HE 9 TYR HB- 6.00 (# 874:20 Unique 4.65, 5.07 A)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 136, 141,
igr2= 130, 131,
&end
#
# 9 TYR HE 9 TYR HB+ 8.00 (# 875:20 Unique 4.65, 5.07 A)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 136, 141,
igr2= 130, 131,
&end
#
# 28 VAL MGY 9 TYR HB- 8.00 (# 879:20 Unique 2.40, 4.83 A)
&rst
ixpk= 879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 413, 414, 415, 417, 418, 419,
igr2= 130, 131,
&end
#
# 28 VAL MGY 9 TYR HB+ 8.00 (# 880:20 Unique 2.40, 4.83 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 413, 414, 415, 417, 418, 419,
igr2= 130, 131,
&end
#
# 28 VAL MGX 9 TYR HB- 6.00 (# 881:20 Unique 2.40, 4.83 A)
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 413, 414, 415, 417, 418, 419,
igr2= 130, 131,
&end
#
# 28 VAL MGX 9 TYR HB+ 4.50 (# 882:20 Unique 2.40, 4.83 A)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 413, 414, 415, 417, 418, 419,
igr2= 130, 131,
&end
#
# 29 ILE HG1- 9 TYR HB- 8.00 (# 883:20 Unique 2.42, 3.53 A)
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 433, 434,
igr2= 130, 131,
&end
#
# 29 ILE HG1- 9 TYR HB+ 8.00 (# 884:20 Unique 2.42, 3.53 A)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 433, 434,
igr2= 130, 131,
&end
#
# 29 ILE MD1 9 TYR HB- 6.00 (# 885:20 Unique 2.26, 4.13 A)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 436, 437, 438,
igr2= 130, 131,
&end
#
# 29 ILE MD1 9 TYR HB+ 6.00 (# 886:20 Unique 2.26, 4.13 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 436, 437, 438,
igr2= 130, 131,
&end
#
# 9 TYR HA 10 VAL HA 8.00 (# 887:20 Unique 4.39, 4.44 A)
&rst
ixpk= 887, nxpk= 20, iat= 128, 149, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 11 ASP HB- 10 VAL HA 8.00 (# 890:20 Unique 4.13, 4.46 A)
&rst
ixpk= 890, nxpk= 20, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 167, 168,
&end
#
# 11 ASP HB+ 10 VAL HA 8.00 (# 891:20 Unique 4.13, 4.46 A)
&rst
ixpk= 891, nxpk= 20, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 167, 168,
&end
#
# 11 ASP HN 10 VAL HB 6.00 (# 894:20 Unique 2.28, 3.71 A)
&rst
ixpk= 894, nxpk= 20, iat= 163, 151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 THR HN 0 AMB 20-1:896 6.00 (# 896:20 Single Ambig)
&rst
ixpk= 896, nxpk= 20, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 9 TYR HA 0 AMB 20-1:898 6.00 (# 898:20 Single Ambig)
&rst
ixpk= 898, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 0 AMB 20-2:910 0 AMB 20-1:910 8.00 (# 910:20 Double Ambig)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 190, 204,
igr2= 167, 168, 167, 168,
&end
#
# 9 TYR HE 11 ASP HB+ 4.50 (# 911:20 Unique 3.18, 6.78 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 136, 141,
igr2= 167, 168,
&end
#
# 28 VAL MGY 11 ASP HB- 8.00 (# 913:20 Unique 2.41, 5.89 A)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 413, 414, 415, 417, 418, 419,
igr2= 167, 168,
&end
#
# 0 AMB 20-2:924 0 AMB 20-1:924 6.00 (# 924:20 Double Ambig)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 194, 195, 194, 195, 194, 195,
igr2= 182, 183, 182, 183, 182, 183,
&end
#
# 12 GLU HB- 0 AMB 20-1:933 8.00 (# 933:20 Single Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 179, 180,
igr2= 194, 195, 194, 195,
&end
#
# 0 AMB 20-2:934 0 AMB 20-1:934 6.00 (# 934:20 Double Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 179, 180, 179, 180,
igr2= 194, 195, 194, 195,
&end
#
# 15 GLU HG- 15 GLU HA 4.50 (# 936:20 Unique 2.42, 3.49 A)
&rst
ixpk= 936, nxpk= 20, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 218, 219,
&end
#
# 16 THR HN 0 AMB 20-1:937 4.50 (# 937:20 Single Ambig)
&rst
ixpk= 937, nxpk= 20, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 215, 216, 215, 216,
&end
#
# 15 GLU HN 15 GLU HG- 4.50 (# 938:20 Unique 1.99, 3.09 A)
&rst
ixpk= 938, nxpk= 20, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 218, 219,
&end
#
# 16 THR HN 15 GLU HG- 6.00 (# 939:20 Unique 3.51, 4.82 A)
&rst
ixpk= 939, nxpk= 20, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 218, 219,
&end
#
# 16 THR HN 16 THR HA 6.00 (# 943:20 Unique 2.81, 2.94 A)
&rst
ixpk= 943, nxpk= 20, iat= 226, 228, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 THR HB 16 THR HA 6.00 (# 944:20 Unique 2.44, 2.96 A)
&rst
ixpk= 944, nxpk= 20, iat= 230, 228, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 LYS HN 16 THR HB 6.00 (# 946:20 Unique 2.11, 2.58 A)
&rst
ixpk= 946, nxpk= 20, iat= 240, 230, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 THR HA 16 THR HB 4.50 (# 948:20 Unique 2.44, 2.96 A)
&rst
ixpk= 948, nxpk= 20, iat= 228, 230, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 GLU HA 16 THR HB 6.00 (# 950:20 Unique 4.22, 4.43 A)
&rst
ixpk= 950, nxpk= 20, iat= 213, 230, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 LYS HN 17 LYS HB- 4.50 (# 953:20 Unique 2.78, 3.40 A)
&rst
ixpk= 953, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 244, 245,
&end
#
# 18 THR HN 17 LYS HB+ 6.00 (# 954:20 Unique 1.99, 3.10 A)
&rst
ixpk= 954, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 244, 245,
&end
#
# 9 TYR HD 17 LYS HB- 8.00 (# 955:20 Unique 3.66, 4.95 A)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 134, 143,
igr2= 244, 245,
&end
#
# 9 TYR HD 17 LYS HB+ 8.00 (# 956:20 Unique 3.66, 4.95 A)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 134, 143,
igr2= 244, 245,
&end
#
# 9 TYR HE 17 LYS HB- 6.00 (# 957:20 Unique 2.64, 4.03 A)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 136, 141,
igr2= 244, 245,
&end
#
# 9 TYR HE 17 LYS HB+ 6.00 (# 958:20 Unique 2.64, 4.03 A)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 136, 141,
igr2= 244, 245,
&end
#
# 17 LYS HA 17 LYS HB+ 4.50 (# 959:20 Unique 2.41, 2.81 A)
&rst
ixpk= 959, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 244, 245,
&end
#
# 17 LYS HG+ 17 LYS HB- 3.50 (# 961:20 Unique 2.38, 2.68 A)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 247, 248,
igr2= 244, 245,
&end
#
# 17 LYS HG- 17 LYS HB- 4.50 (# 962:20 Unique 2.38, 2.68 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 247, 248,
igr2= 244, 245,
&end
#
# 17 LYS HN 17 LYS HG+ 6.00 (# 963:20 Unique 3.18, 4.16 A)
&rst
ixpk= 963, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 247, 248,
&end
#
# 17 LYS HN 17 LYS HG- 6.00 (# 964:20 Unique 3.18, 4.16 A)
&rst
ixpk= 964, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 247, 248,
&end
#
# 0 AMB 20-2:965 0 AMB 20-1:965 6.00 (# 965:20 Double Ambig)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 262, 464,
igr2= 247, 248, 449, 450,
&end
#
# 17 LYS HA 17 LYS HG+ 6.00 (# 966:20 Unique 2.35, 3.15 A)
&rst
ixpk= 966, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 247, 248,
&end
#
# 17 LYS HA 17 LYS HG- 4.50 (# 967:20 Unique 2.35, 3.15 A)
&rst
ixpk= 967, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 247, 248,
&end
#
# 0 AMB 20-2:970 17 LYS HG- 4.50 (# 970:20 Single Ambig)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 253, 254, 253, 254,
igr2= 247, 248,
&end
#
# 11 ASP HB+ 17 LYS HG+ 8.00 (# 971:20 Unique 5.97, 7.39 A)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 167, 168,
igr2= 247, 248,
&end
#
# 0 AMB 20-2:972 0 AMB 20-1:972 3.50 (# 972:20 Double Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 250, 251, 468, 469,
igr2= 247, 248, 449, 450,
&end
#
# 17 LYS HD+ 17 LYS HG- 6.00 (# 973:20 Unique 2.40, 2.74 A)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 250, 251,
igr2= 247, 248,
&end
#
# 17 LYS HB+ 17 LYS HG- 3.50 (# 974:20 Unique 2.38, 2.68 A)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 244, 245,
igr2= 247, 248,
&end
#
# 17 LYS HA 17 LYS HD- 8.00 (# 975:20 Unique 2.19, 3.62 A)
&rst
ixpk= 975, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 250, 251,
&end
#
# 17 LYS HG+ 17 LYS HD+ 4.50 (# 977:20 Unique 2.40, 2.74 A)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 247, 248,
igr2= 250, 251,
&end
#
# 17 LYS HG+ 17 LYS HD- 4.50 (# 978:20 Unique 2.40, 2.74 A)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 247, 248,
igr2= 250, 251,
&end
#
# 17 LYS HG- 17 LYS HD+ 4.50 (# 979:20 Unique 2.40, 2.74 A)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 247, 248,
igr2= 250, 251,
&end
#
# 17 LYS HG- 17 LYS HD- 6.00 (# 980:20 Unique 2.40, 2.74 A)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 247, 248,
igr2= 250, 251,
&end
#
# 17 LYS HB+ 17 LYS HD+ 6.00 (# 981:20 Unique 2.39, 3.16 A)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 244, 245,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:983 0 AMB 20-1:983 4.50 (# 983:20 Double Ambig)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 247, 248, 247, 248,
igr2= 253, 254, 253, 254,
&end
#
# 17 LYS HA 0 AMB 20-1:984 6.00 (# 984:20 Single Ambig)
&rst
ixpk= 984, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 253, 254, 253, 254,
&end
#
# 18 THR HN 18 THR HA 6.00 (# 987:20 Unique 2.97, 2.98 A)
&rst
ixpk= 987, nxpk= 20, iat= 262, 264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 TYR HN 18 THR HA 6.00 (# 988:20 Unique 3.49, 3.64 A)
&rst
ixpk= 988, nxpk= 20, iat= 126, 264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 SER HA 18 THR HA 2.80 (# 989:20 Unique 2.01, 2.08 A)
&rst
ixpk= 989, nxpk= 20, iat= 117, 264, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 THR HB 18 THR HA 3.50 (# 990:20 Unique 2.45, 2.51 A)
&rst
ixpk= 990, nxpk= 20, iat= 266, 264, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 THR MG2 18 THR HA 3.50 (# 992:20 Unique 2.44, 3.07 A)
&rst
ixpk= 992, nxpk= 20, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 268, 269, 270,
&end
#
# 18 THR HN 18 THR HB 6.00 (# 993:20 Unique 3.61, 3.76 A)
&rst
ixpk= 993, nxpk= 20, iat= 262, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 SER HA 18 THR HB 6.00 (# 994:20 Unique 3.87, 4.15 A)
&rst
ixpk= 994, nxpk= 20, iat= 117, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 THR HA 18 THR HB 3.50 (# 995:20 Unique 2.45, 2.51 A)
&rst
ixpk= 995, nxpk= 20, iat= 264, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 ILE MD1 18 THR HB 6.00 (# 1001:20 Unique 3.76, 5.00 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 704, 705, 706,
&end
#
# 19 TRP HB+ 19 TRP HA 4.50 (# 1003:20 Unique 2.40, 2.74 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 280, 281,
&end
#
# 19 TRP HB- 19 TRP HA 4.50 (# 1004:20 Unique 2.40, 2.74 A)
&rst
ixpk= 1004, nxpk= 20, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 280, 281,
&end
#
# 19 TRP HD1 19 TRP HA 4.50 (# 1006:20 Unique 2.44, 2.61 A)
&rst
ixpk= 1006, nxpk= 20, iat= 284, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 TRP HN 19 TRP HA 6.00 (# 1008:20 Unique 2.95, 2.97 A)
&rst
ixpk= 1008, nxpk= 20, iat= 276, 278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TRP HN 19 TRP HB- 6.00 (# 1009:20 Unique 2.69, 3.05 A)
&rst
ixpk= 1009, nxpk= 20, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 280, 281,
&end
#
# 19 TRP HN 19 TRP HB+ 4.50 (# 1010:20 Unique 2.69, 3.05 A)
&rst
ixpk= 1010, nxpk= 20, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 280, 281,
&end
#
# 7 TYR HN 19 TRP HB+ 8.00 (# 1011:20 Unique 4.16, 4.96 A)
&rst
ixpk= 1011, nxpk= 20, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 280, 281,
&end
#
# 7 TYR HN 19 TRP HB- 8.00 (# 1012:20 Unique 4.16, 4.96 A)
&rst
ixpk= 1012, nxpk= 20, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 280, 281,
&end
#
# 19 TRP HD1 19 TRP HB- 6.00 (# 1013:20 Unique 2.99, 3.47 A)
&rst
ixpk= 1013, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 280, 281,
&end
#
# 19 TRP HD1 19 TRP HB+ 8.00 (# 1014:20 Unique 2.99, 3.47 A)
&rst
ixpk= 1014, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 280, 281,
&end
#
# 7 TYR HD 19 TRP HB- 6.00 (# 1015:20 Unique 2.84, 5.50 A)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 111,
igr2= 280, 281,
&end
#
# 7 TYR HD 19 TRP HB+ 6.00 (# 1016:20 Unique 2.84, 5.50 A)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 111,
igr2= 280, 281,
&end
#
# 9 TYR HD 19 TRP HB+ 6.00 (# 1017:20 Unique 3.12, 6.09 A)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 134, 143,
igr2= 280, 281,
&end
#
# 9 TYR HD 19 TRP HB- 6.00 (# 1018:20 Unique 3.12, 6.09 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 134, 143,
igr2= 280, 281,
&end
#
# 9 TYR HE 19 TRP HB+ 4.50 (# 1019:20 Unique 2.50, 6.01 A)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 136, 141,
igr2= 280, 281,
&end
#
# 19 TRP HA 19 TRP HB+ 4.50 (# 1020:20 Unique 2.40, 2.74 A)
&rst
ixpk= 1020, nxpk= 20, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 280, 281,
&end
#
# 7 TYR HB+ 19 TRP HB- 4.50 (# 1021:20 Unique 2.21, 3.72 A)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 98, 99,
igr2= 280, 281,
&end
#
# 7 TYR HB+ 19 TRP HB+ 4.50 (# 1022:20 Unique 2.21, 3.72 A)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 98, 99,
igr2= 280, 281,
&end
#
# 26 PRO HG+ 19 TRP HB- 6.00 (# 1023:20 Unique 2.60, 3.59 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 387, 388,
igr2= 280, 281,
&end
#
# 26 PRO HG+ 19 TRP HB+ 8.00 (# 1024:20 Unique 2.60, 3.59 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 387, 388,
igr2= 280, 281,
&end
#
# 26 PRO HG- 19 TRP HB- 6.00 (# 1025:20 Unique 2.60, 3.59 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 387, 388,
igr2= 280, 281,
&end
#
# 26 PRO HG- 19 TRP HB+ 6.00 (# 1026:20 Unique 2.60, 3.59 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 387, 388,
igr2= 280, 281,
&end
#
# 29 ILE MD1 19 TRP HB- 8.00 (# 1027:20 Unique 3.68, 5.21 A)
&rst
ixpk= 1027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 436, 437, 438,
igr2= 280, 281,
&end
#
# 29 ILE MD1 19 TRP HB+ 8.00 (# 1028:20 Unique 3.68, 5.21 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 436, 437, 438,
igr2= 280, 281,
&end
#
# 19 TRP HE1 19 TRP HD1 6.00 (# 1029:20 Unique 2.56, 2.57 A)
&rst
ixpk= 1029, nxpk= 20, iat= 286, 284, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TRP HA 19 TRP HD1 8.00 (# 1030:20 Unique 2.44, 2.61 A)
&rst
ixpk= 1030, nxpk= 20, iat= 278, 284, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 7 TYR HD 19 TRP HE3 6.00 (# 1031:20 Unique 2.72, 3.95 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 111,
&end
#
# 19 TRP HZ3 19 TRP HE3 4.50 (# 1032:20 Unique 2.47, 2.48 A)
&rst
ixpk= 1032, nxpk= 20, iat= 293, 295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1033 19 TRP HE3 6.00 (# 1033:20 Single Ambig)
&rst
ixpk= 1033, nxpk= 20, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 280, 281, 98, 99,
&end
#
# 7 TYR HB+ 19 TRP HE3 6.00 (# 1034:20 Unique 2.49, 2.85 A)
&rst
ixpk= 1034, nxpk= 20, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 98, 99,
&end
#
# 0 AMB 20-2:1036 19 TRP HE3 6.00 (# 1036:20 Single Ambig)
&rst
ixpk= 1036, nxpk= 20, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 615, 616, 617, 619, 620, 621, 375, 376, 377,
&end
#
# 29 ILE MD1 19 TRP HE3 6.00 (# 1037:20 Unique 2.59, 3.65 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 436, 437, 438,
&end
#
# 20 THR MG2 0 AMB 20-1:1040 3.50 (# 1040:20 Single Ambig)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 306, 307, 308,
igr2= 302, 58,
&end
#
# 6 LYS HB+ 20 THR HA 6.00 (# 1041:20 Unique 2.51, 4.06 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 76, 77,
&end
#
# 5 ALA HA 20 THR HA 4.50 (# 1043:20 Unique 2.19, 2.57 A)
&rst
ixpk= 1043, nxpk= 20, iat= 64, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LYS HN 20 THR HA 4.50 (# 1044:20 Unique 2.42, 2.60 A)
&rst
ixpk= 1044, nxpk= 20, iat= 72, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1053 20 THR HB 6.00 (# 1053:20 Single Ambig)
&rst
ixpk= 1053, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 328, 329, 328, 329,
&end
#
# 22 GLN HB- 20 THR HB 8.00 (# 1054:20 Unique 3.20, 4.61 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 325, 326,
&end
#
# 5 ALA HA 20 THR HB 6.00 (# 1055:20 Unique 4.00, 4.38 A)
&rst
ixpk= 1055, nxpk= 20, iat= 64, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 GLN HN 20 THR HB 6.00 (# 1060:20 Unique 3.29, 3.55 A)
&rst
ixpk= 1060, nxpk= 20, iat= 321, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HD 21 GLY HA- 6.00 (# 1063:20 Unique 3.20, 5.09 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 111,
igr2= 316, 317,
&end
#
# 22 GLN HN 21 GLY HA- 6.00 (# 1065:20 Unique 3.09, 3.34 A)
&rst
ixpk= 1065, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 316, 317,
&end
#
# 22 GLN HN 22 GLN HA 6.00 (# 1068:20 Unique 2.89, 2.96 A)
&rst
ixpk= 1068, nxpk= 20, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 GLY HA+ 22 GLN HA 6.00 (# 1070:20 Unique 4.49, 4.57 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 340, 341,
&end
#
# 22 GLN HN 22 GLN HB- 6.00 (# 1071:20 Unique 2.38, 3.11 A)
&rst
ixpk= 1071, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:1073 0 AMB 20-1:1073 3.50 (# 1073:20 Double Ambig)
&rst
ixpk= 1073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 325, 326, 325, 326,
igr2= 328, 329, 328, 329,
&end
#
# 22 GLN HA 0 AMB 20-1:1074 3.50 (# 1074:20 Single Ambig)
&rst
ixpk= 1074, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 328, 329, 328, 329,
&end
#
# 37 GLY HN 0 AMB 20-1:1075 8.00 (# 1075:20 Single Ambig)
&rst
ixpk= 1075, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 500, 501, 500, 501,
&end
#
# 0 AMB 20-2:1076 0 AMB 20-1:1076 6.00 (# 1076:20 Double Ambig)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 333, 334, 333, 334,
igr2= 328, 329, 328, 329,
&end
#
# 23 GLY HN 23 GLY HA- 6.00 (# 1078:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1078, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 340, 341,
&end
#
# 0 AMB 20-2:1081 23 GLY HA- 8.00 (# 1081:20 Single Ambig)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 355, 356, 355, 356,
igr2= 340, 341,
&end
#
# 0 AMB 20-2:1082 0 AMB 20-1:1082 6.00 (# 1082:20 Double Ambig)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 355, 356, 355, 356,
igr2= 340, 341, 340, 341,
&end
#
# 0 AMB 20-2:1083 23 GLY HA- 6.00 (# 1083:20 Single Ambig)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 352, 353, 349, 350, 349, 350,
igr2= 340, 341,
&end
#
# 0 AMB 20-2:1084 0 AMB 20-1:1084 6.00 (# 1084:20 Double Ambig)
&rst
ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 352, 353, 349, 350, 349, 350,
igr2= 340, 341, 340, 341, 340, 341,
&end
#
# 49 GLU HA 0 AMB 20-1:1090 6.00 (# 1090:20 Single Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 773, 774, 773, 774,
&end
#
# 48 LEU MDX 47 GLU HG+ 6.00 (# 1091:20 Double Ambig)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 739, 740,
&end
#
# 25 THR HN 25 THR HA 4.50 (# 1092:20 Unique 2.74, 2.80 A)
&rst
ixpk= 1092, nxpk= 20, iat= 369, 371, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 THR HB 25 THR HA 3.50 (# 1094:20 Unique 3.03, 3.04 A)
&rst
ixpk= 1094, nxpk= 20, iat= 373, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 PRO HG+ 25 THR HA 6.00 (# 1095:20 Unique 4.34, 4.47 A)
&rst
ixpk= 1095, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 387, 388,
&end
#
# 26 PRO HG- 25 THR HA 8.00 (# 1096:20 Unique 4.34, 4.47 A)
&rst
ixpk= 1096, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 387, 388,
&end
#
# 29 ILE MD1 25 THR HA 8.00 (# 1097:20 Unique 4.53, 6.35 A)
&rst
ixpk= 1097, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 436, 437, 438,
&end
#
# 0 AMB 20-2:1098 25 THR HB 6.00 (# 1098:20 Single Ambig)
&rst
ixpk= 1098, nxpk= 20, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 452, 453, 452, 453, 384, 385,
&end
#
# 25 THR HA 25 THR HB 3.50 (# 1099:20 Unique 3.03, 3.04 A)
&rst
ixpk= 1099, nxpk= 20, iat= 371, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LYS HA 25 THR HB 6.00 (# 1101:20 Unique 3.79, 4.25 A)
&rst
ixpk= 1101, nxpk= 20, iat= 444, 373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 PRO HB+ 26 PRO HA 6.00 (# 1104:20 Unique 2.29, 2.68 A)
&rst
ixpk= 1104, nxpk= 20, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 390, 391,
&end
#
# 26 PRO HG- 26 PRO HA 6.00 (# 1105:20 Unique 2.81, 3.44 A)
&rst
ixpk= 1105, nxpk= 20, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 387, 388,
&end
#
# 26 PRO HG+ 26 PRO HA 4.50 (# 1106:20 Unique 2.81, 3.44 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 387, 388,
&end
#
# 27 ALA MB 26 PRO HA 6.00 (# 1107:20 Unique 4.43, 5.01 A)
&rst
ixpk= 1107, nxpk= 20, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 401, 402, 403,
&end
#
# 26 PRO HD+ 26 PRO HA 8.00 (# 1110:20 Unique 3.46, 3.72 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 384, 385,
&end
#
# 26 PRO HA 26 PRO HB+ 6.00 (# 1112:20 Unique 2.29, 2.68 A)
&rst
ixpk= 1112, nxpk= 20, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 390, 391,
&end
#
# 9 TYR HE 26 PRO HB- 6.00 (# 1113:20 Unique 2.42, 4.10 A)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 136, 141,
igr2= 390, 391,
&end
#
# 29 ILE HN 26 PRO HB- 8.00 (# 1114:20 Unique 2.52, 3.53 A)
&rst
ixpk= 1114, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 390, 391,
&end
#
# 26 PRO HG+ 26 PRO HB+ 4.50 (# 1118:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 387, 388,
igr2= 390, 391,
&end
#
# 26 PRO HG+ 26 PRO HB- 4.50 (# 1119:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 387, 388,
igr2= 390, 391,
&end
#
# 0 AMB 20-2:1120 0 AMB 20-1:1120 4.50 (# 1120:20 Double Ambig)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 387, 388, 427,
igr2= 390, 391, 390, 391,
&end
#
# 29 ILE MD1 26 PRO HB+ 6.00 (# 1122:20 Unique 2.78, 4.85 A)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 436, 437, 438,
igr2= 390, 391,
&end
#
# 29 ILE MD1 26 PRO HG+ 8.00 (# 1123:20 Unique 2.36, 4.69 A)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 436, 437, 438,
igr2= 387, 388,
&end
#
# 29 ILE MD1 26 PRO HG- 6.00 (# 1124:20 Unique 2.36, 4.69 A)
&rst
ixpk= 1124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 436, 437, 438,
igr2= 387, 388,
&end
#
# 26 PRO HB+ 26 PRO HG+ 4.50 (# 1125:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 390, 391,
igr2= 387, 388,
&end
#
# 26 PRO HB+ 26 PRO HG- 4.50 (# 1126:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 390, 391,
igr2= 387, 388,
&end
#
# 26 PRO HD- 26 PRO HG+ 4.50 (# 1127:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 384, 385,
igr2= 387, 388,
&end
#
# 26 PRO HD+ 26 PRO HG+ 4.50 (# 1128:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 384, 385,
igr2= 387, 388,
&end
#
# 26 PRO HB- 26 PRO HG+ 4.50 (# 1129:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 390, 391,
igr2= 387, 388,
&end
#
# 26 PRO HD+ 26 PRO HG- 6.00 (# 1130:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 384, 385,
igr2= 387, 388,
&end
#
# 26 PRO HB- 26 PRO HG- 4.50 (# 1131:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 390, 391,
igr2= 387, 388,
&end
#
# 19 TRP HB+ 26 PRO HG+ 6.00 (# 1132:20 Unique 2.60, 3.59 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 280, 281,
igr2= 387, 388,
&end
#
# 19 TRP HB- 26 PRO HG+ 6.00 (# 1133:20 Unique 2.60, 3.59 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 280, 281,
igr2= 387, 388,
&end
#
# 19 TRP HB+ 26 PRO HG- 6.00 (# 1134:20 Unique 2.60, 3.59 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 280, 281,
igr2= 387, 388,
&end
#
# 19 TRP HB- 26 PRO HG- 6.00 (# 1135:20 Unique 2.60, 3.59 A)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 280, 281,
igr2= 387, 388,
&end
#
# 26 PRO HA 26 PRO HG+ 6.00 (# 1136:20 Unique 2.81, 3.44 A)
&rst
ixpk= 1136, nxpk= 20, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 387, 388,
&end
#
# 26 PRO HA 26 PRO HG- 6.00 (# 1137:20 Unique 2.81, 3.44 A)
&rst
ixpk= 1137, nxpk= 20, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 387, 388,
&end
#
# 9 TYR HE 26 PRO HG- 6.00 (# 1138:20 Unique 2.59, 4.85 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 136, 141,
igr2= 387, 388,
&end
#
# 25 THR HA 26 PRO HD+ 4.50 (# 1139:20 Unique 2.12, 2.35 A)
&rst
ixpk= 1139, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 384, 385,
&end
#
# 25 THR HA 26 PRO HD- 4.50 (# 1140:20 Unique 2.12, 2.35 A)
&rst
ixpk= 1140, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 384, 385,
&end
#
# 26 PRO HG+ 26 PRO HD+ 6.00 (# 1141:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 387, 388,
igr2= 384, 385,
&end
#
# 26 PRO HG+ 26 PRO HD- 4.50 (# 1142:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 387, 388,
igr2= 384, 385,
&end
#
# 26 PRO HG- 26 PRO HD+ 6.00 (# 1143:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 387, 388,
igr2= 384, 385,
&end
#
# 0 AMB 20-2:1144 26 PRO HD- 6.00 (# 1144:20 Single Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 387, 388, 427,
igr2= 384, 385,
&end
#
# 25 THR MG2 26 PRO HD- 6.00 (# 1145:20 Unique 2.37, 3.81 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 375, 376, 377,
igr2= 384, 385,
&end
#
# 25 THR MG2 26 PRO HD+ 6.00 (# 1146:20 Unique 2.37, 3.81 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 375, 376, 377,
igr2= 384, 385,
&end
#
# 26 PRO HB+ 26 PRO HD- 8.00 (# 1147:20 Unique 2.85, 3.69 A)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 390, 391,
igr2= 384, 385,
&end
#
# 29 ILE MD1 26 PRO HD- 6.00 (# 1148:20 Unique 2.27, 4.79 A)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 436, 437, 438,
igr2= 384, 385,
&end
#
# 27 ALA HN 27 ALA HA 6.00 (# 1149:20 Unique 2.71, 2.76 A)
&rst
ixpk= 1149, nxpk= 20, iat= 397, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 VAL HN 27 ALA HA 6.00 (# 1150:20 Unique 3.59, 3.61 A)
&rst
ixpk= 1150, nxpk= 20, iat= 407, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 LYS HN 27 ALA HA 6.00 (# 1151:20 Unique 3.81, 3.92 A)
&rst
ixpk= 1151, nxpk= 20, iat= 464, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HN 27 ALA HA 6.00 (# 1152:20 Unique 3.50, 3.64 A)
&rst
ixpk= 1152, nxpk= 20, iat= 442, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1154 27 ALA HA 6.00 (# 1154:20 Single Ambig)
&rst
ixpk= 1154, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 452, 453, 452, 453,
&end
#
# 0 AMB 20-2:1178 28 VAL HA 6.00 (# 1178:20 Single Ambig)
&rst
ixpk= 1178, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 471, 472, 471, 472, 401, 402, 403,
&end
#
# 29 ILE HN 28 VAL HA 6.00 (# 1180:20 Unique 3.54, 3.57 A)
&rst
ixpk= 1180, nxpk= 20, iat= 423, 409, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 ALA HN 28 VAL HA 6.00 (# 1181:20 Unique 3.69, 3.88 A)
&rst
ixpk= 1181, nxpk= 20, iat= 486, 409, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HN 28 VAL HA 8.00 (# 1182:20 Unique 4.58, 4.64 A)
&rst
ixpk= 1182, nxpk= 20, iat= 442, 409, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 31 LYS HN 28 VAL HA 6.00 (# 1183:20 Unique 3.26, 3.44 A)
&rst
ixpk= 1183, nxpk= 20, iat= 464, 409, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 TYR HE 28 VAL HB 6.00 (# 1185:20 Unique 3.29, 5.04 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 136, 141,
&end
#
# 29 ILE HN 28 VAL HB 6.00 (# 1186:20 Unique 2.65, 3.15 A)
&rst
ixpk= 1186, nxpk= 20, iat= 423, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 VAL MGY 28 VAL HB 3.50 (# 1187:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1187, nxpk= 20, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 413, 414, 415, 417, 418, 419,
&end
#
# 43 PHE HE 28 VAL MGX 6.00 (# 1190:20 Unique 2.85, 7.00 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 662, 666,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 9 TYR HE 28 VAL MGX 6.00 (# 1191:20 Unique 2.52, 6.04 A)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 136, 141,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 9 TYR HD 28 VAL MGX 4.50 (# 1192:20 Unique 2.39, 5.28 A)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 134, 143,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 29 ILE HN 28 VAL MGX 6.00 (# 1193:20 Unique 2.70, 4.44 A)
&rst
ixpk= 1193, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 32 ALA MB 28 VAL MGX 4.50 (# 1198:20 Unique 3.46, 6.44 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 490, 491, 492,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 27 ALA MB 28 VAL MGX 6.00 (# 1199:20 Unique 3.39, 6.55 A)
&rst
ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 401, 402, 403,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 29 ILE HG1- 28 VAL MGX 6.00 (# 1205:20 Unique 2.70, 5.73 A)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 433, 434,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 27 ALA HN 28 VAL MGY 6.00 (# 1209:20 Single Ambig)
&rst
ixpk= 1209, nxpk= 20, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 31 LYS HN 28 VAL MGY 6.00 (# 1210:20 Unique 5.32, 6.20 A)
&rst
ixpk= 1210, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 29 ILE HN 28 VAL MGY 6.00 (# 1212:20 Unique 2.70, 4.44 A)
&rst
ixpk= 1212, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 9 TYR HB- 28 VAL MGY 6.00 (# 1214:20 Unique 2.40, 4.83 A)
&rst
ixpk= 1214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 130, 131,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 11 ASP HB+ 28 VAL MGY 6.00 (# 1215:20 Unique 2.41, 5.89 A)
&rst
ixpk= 1215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 167, 168,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 32 ALA MB 28 VAL MGY 6.00 (# 1217:20 Unique 3.46, 6.44 A)
&rst
ixpk= 1217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 490, 491, 492,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 28 VAL HB 28 VAL MGY 2.80 (# 1218:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1218, nxpk= 20, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 29 ILE HG1- 28 VAL MGY 6.00 (# 1225:20 Unique 2.70, 5.73 A)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 433, 434,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 32 ALA HN 29 ILE HA 6.00 (# 1227:20 Unique 3.26, 3.59 A)
&rst
ixpk= 1227, nxpk= 20, iat= 486, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 PHE HE 29 ILE HA 8.00 (# 1228:20 Unique 2.87, 3.97 A)
&rst
ixpk= 1228, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 662, 666,
&end
#
# 43 PHE HZ 29 ILE HA 6.00 (# 1229:20 Unique 2.89, 3.44 A)
&rst
ixpk= 1229, nxpk= 20, iat= 664, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ILE HN 29 ILE HA 6.00 (# 1230:20 Unique 2.87, 2.90 A)
&rst
ixpk= 1230, nxpk= 20, iat= 423, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ILE HG1- 29 ILE HA 6.00 (# 1232:20 Unique 2.39, 2.99 A)
&rst
ixpk= 1232, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 433, 434,
&end
#
# 29 ILE HG1+ 29 ILE HA 4.50 (# 1233:20 Unique 2.39, 2.99 A)
&rst
ixpk= 1233, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 433, 434,
&end
#
# 29 ILE HB 29 ILE HA 6.00 (# 1234:20 Unique 3.04, 3.05 A)
&rst
ixpk= 1234, nxpk= 20, iat= 427, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HN 29 ILE HB 4.50 (# 1235:20 Unique 2.43, 2.57 A)
&rst
ixpk= 1235, nxpk= 20, iat= 442, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ILE HN 29 ILE HB 4.50 (# 1236:20 Unique 2.45, 2.49 A)
&rst
ixpk= 1236, nxpk= 20, iat= 423, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ILE HA 29 ILE HB 6.00 (# 1237:20 Unique 3.04, 3.05 A)
&rst
ixpk= 1237, nxpk= 20, iat= 425, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 THR MG2 29 ILE HB 4.50 (# 1238:20 Unique 2.32, 2.99 A)
&rst
ixpk= 1238, nxpk= 20, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 375, 376, 377,
&end
#
# 26 PRO HB+ 29 ILE HB 6.00 (# 1239:20 Unique 2.77, 3.81 A)
&rst
ixpk= 1239, nxpk= 20, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 390, 391,
&end
#
# 29 ILE HG1- 29 ILE HB 6.00 (# 1240:20 Unique 2.35, 2.65 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 433, 434,
&end
#
# 29 ILE MG2 29 ILE HB 3.50 (# 1241:20 Unique 2.39, 2.67 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 429, 430, 431,
&end
#
# 29 ILE HG1+ 29 ILE HB 8.00 (# 1242:20 Unique 2.35, 2.65 A)
&rst
ixpk= 1242, nxpk= 20, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 433, 434,
&end
#
# 29 ILE MD1 29 ILE HG1- 3.50 (# 1243:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 436, 437, 438,
igr2= 433, 434,
&end
#
# 29 ILE MD1 29 ILE HG1+ 4.50 (# 1244:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 436, 437, 438,
igr2= 433, 434,
&end
#
# 26 PRO HB+ 29 ILE HG1- 6.00 (# 1245:20 Unique 2.28, 4.06 A)
&rst
ixpk= 1245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 390, 391,
igr2= 433, 434,
&end
#
# 29 ILE HB 29 ILE HG1- 6.00 (# 1246:20 Unique 2.35, 2.65 A)
&rst
ixpk= 1246, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 433, 434,
&end
#
# 29 ILE HA 29 ILE HG1- 6.00 (# 1247:20 Unique 2.39, 2.99 A)
&rst
ixpk= 1247, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 433, 434,
&end
#
# 29 ILE HA 29 ILE HG1+ 6.00 (# 1248:20 Unique 2.39, 2.99 A)
&rst
ixpk= 1248, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 433, 434,
&end
#
# 29 ILE HN 29 ILE HG1- 6.00 (# 1249:20 Unique 2.17, 2.86 A)
&rst
ixpk= 1249, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 433, 434,
&end
#
# 9 TYR HD 29 ILE HG1- 8.00 (# 1250:20 Unique 2.55, 4.65 A)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 134, 143,
igr2= 433, 434,
&end
#
# 29 ILE HG1+ 29 ILE MD1 3.50 (# 1251:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 433, 434,
igr2= 436, 437, 438,
&end
#
# 29 ILE HG1- 29 ILE MD1 2.80 (# 1253:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 433, 434,
igr2= 436, 437, 438,
&end
#
# 26 PRO HB+ 29 ILE MD1 6.00 (# 1254:20 Unique 2.78, 4.85 A)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 390, 391,
igr2= 436, 437, 438,
&end
#
# 0 AMB 20-2:1255 29 ILE MD1 4.50 (# 1255:20 Single Ambig)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 615, 616, 617, 619, 620, 621, 375, 376, 377,
igr2= 436, 437, 438,
&end
#
# 0 AMB 20-2:1256 29 ILE MD1 3.50 (# 1256:20 Single Ambig)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 387, 388, 427,
igr2= 436, 437, 438,
&end
#
# 26 PRO HG+ 29 ILE MD1 6.00 (# 1257:20 Unique 2.36, 4.69 A)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 387, 388,
igr2= 436, 437, 438,
&end
#
# 26 PRO HD- 29 ILE MD1 6.00 (# 1258:20 Unique 2.27, 4.79 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 384, 385,
igr2= 436, 437, 438,
&end
#
# 28 VAL MGX 29 ILE MD1 6.00 (# 1259:20 Unique 3.06, 7.21 A)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 413, 414, 415, 417, 418, 419,
igr2= 436, 437, 438,
&end
#
# 26 PRO HB- 29 ILE MD1 6.00 (# 1260:20 Unique 2.78, 4.85 A)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 390, 391,
igr2= 436, 437, 438,
&end
#
# 19 TRP HB- 29 ILE MD1 6.00 (# 1261:20 Unique 3.68, 5.21 A)
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 280, 281,
igr2= 436, 437, 438,
&end
#
# 43 PHE HB- 29 ILE MD1 6.00 (# 1262:20 Unique 2.51, 3.68 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 656, 657,
igr2= 436, 437, 438,
&end
#
# 7 TYR HD 29 ILE MD1 6.00 (# 1263:20 Unique 3.24, 5.86 A)
&rst
ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 102, 111,
igr2= 436, 437, 438,
&end
#
# 29 ILE HN 29 ILE MD1 6.00 (# 1264:20 Unique 3.64, 4.49 A)
&rst
ixpk= 1264, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 436, 437, 438,
&end
#
# 43 PHE HD 29 ILE MD1 6.00 (# 1265:20 Unique 3.06, 4.51 A)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 660, 668,
igr2= 436, 437, 438,
&end
#
# 0 AMB 20-2:1266 29 ILE MG2 6.00 (# 1266:20 Single Ambig)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 496, 407,
igr2= 429, 430, 431,
&end
#
# 43 PHE HZ 29 ILE MG2 6.00 (# 1267:20 Unique 3.66, 5.48 A)
&rst
ixpk= 1267, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 429, 430, 431,
&end
#
# 19 TRP HZ3 29 ILE MG2 6.00 (# 1268:20 Unique 2.41, 3.91 A)
&rst
ixpk= 1268, nxpk= 20, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 429, 430, 431,
&end
#
# 29 ILE HN 29 ILE MG2 6.00 (# 1269:20 Unique 4.43, 4.59 A)
&rst
ixpk= 1269, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 429, 430, 431,
&end
#
# 40 LEU HA 29 ILE MG2 6.00 (# 1270:20 Unique 3.25, 4.22 A)
&rst
ixpk= 1270, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 429, 430, 431,
&end
#
# 30 LYS HA 29 ILE MG2 6.00 (# 1271:20 Unique 3.67, 4.83 A)
&rst
ixpk= 1271, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 429, 430, 431,
&end
#
# 33 MET HG+ 29 ILE MG2 6.00 (# 1272:20 Unique 3.08, 4.57 A)
&rst
ixpk= 1272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 503, 504,
igr2= 429, 430, 431,
&end
#
# 0 AMB 20-2:1273 29 ILE MG2 4.50 (# 1273:20 Single Ambig)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 613, 490, 491, 492, 610, 611,
igr2= 429, 430, 431,
&end
#
# 30 LYS HB+ 29 ILE MG2 8.00 (# 1275:20 Unique 4.67, 6.08 A)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 446, 447,
igr2= 429, 430, 431,
&end
#
# 26 PRO HD- 29 ILE MG2 8.00 (# 1276:20 Unique 3.26, 5.13 A)
&rst
ixpk= 1276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 384, 385,
igr2= 429, 430, 431,
&end
#
# 29 ILE HG1- 29 ILE MG2 4.50 (# 1278:20 Unique 2.43, 3.58 A)
&rst
ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 433, 434,
igr2= 429, 430, 431,
&end
#
# 29 ILE HG1+ 29 ILE MG2 4.50 (# 1279:20 Unique 2.43, 3.58 A)
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 433, 434,
igr2= 429, 430, 431,
&end
#
# 25 THR MG2 30 LYS HA 6.00 (# 1281:20 Unique 2.87, 3.86 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 375, 376, 377,
&end
#
# 0 AMB 20-2:1282 30 LYS HA 8.00 (# 1282:20 Single Ambig)
&rst
ixpk= 1282, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 452, 453, 452, 453,
&end
#
# 33 MET ME 30 LYS HA 6.00 (# 1283:20 Unique 2.41, 4.76 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 507, 508, 509,
&end
#
# 31 LYS HN 30 LYS HA 6.00 (# 1287:20 Unique 3.59, 3.61 A)
&rst
ixpk= 1287, nxpk= 20, iat= 464, 444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 MET HN 30 LYS HA 6.00 (# 1288:20 Unique 3.47, 3.61 A)
&rst
ixpk= 1288, nxpk= 20, iat= 496, 444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 LYS HN 30 LYS HB+ 6.00 (# 1289:20 Unique 2.54, 3.32 A)
&rst
ixpk= 1289, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 25 THR MG2 30 LYS HB- 8.00 (# 1290:20 Unique 2.80, 4.19 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 375, 376, 377,
igr2= 446, 447,
&end
#
# 30 LYS HN 30 LYS HG+ 6.00 (# 1291:20 Unique 4.21, 4.42 A)
&rst
ixpk= 1291, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 449, 450,
&end
#
# 30 LYS HN 30 LYS HG- 6.00 (# 1292:20 Unique 4.21, 4.42 A)
&rst
ixpk= 1292, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 449, 450,
&end
#
# 31 LYS HA 30 LYS HG+ 6.00 (# 1294:20 Unique 3.20, 3.94 A)
&rst
ixpk= 1294, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 449, 450,
&end
#
# 25 THR HB 30 LYS HG- 8.00 (# 1295:20 Unique 4.19, 5.34 A)
&rst
ixpk= 1295, nxpk= 20, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 449, 450,
&end
#
# 0 AMB 20-2:1296 0 AMB 20-1:1296 8.00 (# 1296:20 Double Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 280, 281, 167, 168,
igr2= 247, 248, 247, 248,
&end
#
# 0 AMB 20-2:1298 0 AMB 20-1:1298 6.00 (# 1298:20 Double Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1= 302, 74, 304, 712,
igr2= 82, 83, 82, 83, 82, 83, 82, 83, 82, 83,
&end
#
# 35 GLU HN 31 LYS HA 6.00 (# 1300:20 Unique 3.18, 3.58 A)
&rst
ixpk= 1300, nxpk= 20, iat= 528, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1301 31 LYS HA 6.00 (# 1301:20 Single Ambig)
&rst
ixpk= 1301, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 486, 543,
&end
#
# 35 GLU HG+ 31 LYS HA 6.00 (# 1302:20 Unique 2.69, 4.48 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 535, 536,
&end
#
# 0 AMB 20-2:1306 0 AMB 20-1:1306 2.80 (# 1306:20 Double Ambig)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 250, 251, 474, 475, 474, 475,
igr2= 247, 248, 449, 450, 449, 450,
&end
#
# 28 VAL HA 0 AMB 20-1:1307 6.00 (# 1307:20 Single Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 474, 475, 474, 475,
&end
#
# 35 GLU HN 32 ALA HA 6.00 (# 1308:20 Unique 3.44, 3.77 A)
&rst
ixpk= 1308, nxpk= 20, iat= 528, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 PHE HD 32 ALA MB 6.00 (# 1310:20 Unique 4.79, 6.21 A)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 660, 668,
igr2= 490, 491, 492,
&end
#
# 38 LYS HN 32 ALA MB 6.00 (# 1311:20 Unique 3.89, 5.16 A)
&rst
ixpk= 1311, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 490, 491, 492,
&end
#
# 0 AMB 20-2:1313 32 ALA MB 6.00 (# 1313:20 Single Ambig)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 498, 569,
igr2= 490, 491, 492,
&end
#
# 0 AMB 20-2:1315 32 ALA MB 8.00 (# 1315:20 Single Ambig)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 466, 656, 657,
igr2= 490, 491, 492,
&end
#
# 42 ASP HB- 32 ALA MB 6.00 (# 1316:20 Unique 4.87, 6.66 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 644, 645,
igr2= 490, 491, 492,
&end
#
# 33 MET HG- 32 ALA MB 6.00 (# 1317:20 Unique 3.44, 5.27 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 503, 504,
igr2= 490, 491, 492,
&end
#
# 0 AMB 20-2:1318 32 ALA MB 6.00 (# 1318:20 Single Ambig)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 547, 548, 550, 551,
igr2= 490, 491, 492,
&end
#
# 0 AMB 20-2:1319 32 ALA MB 4.50 (# 1319:20 Single Ambig)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 547, 548, 503, 504, 550, 551,
igr2= 490, 491, 492,
&end
#
# 0 AMB 20-2:1320 32 ALA MB 6.00 (# 1320:20 Single Ambig)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 500, 501, 500, 501,
igr2= 490, 491, 492,
&end
#
# 38 LYS HB- 32 ALA MB 8.00 (# 1321:20 Unique 2.31, 4.19 A)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 571, 572,
igr2= 490, 491, 492,
&end
#
# 38 LYS HB- 32 ALA MB 8.00 (# 1322:20 Unique 2.31, 4.19 A)
&rst
ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 571, 572,
igr2= 490, 491, 492,
&end
#
# 28 VAL MGY 32 ALA MB 6.00 (# 1329:20 Unique 3.46, 6.44 A)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 413, 414, 415, 417, 418, 419,
igr2= 490, 491, 492,
&end
#
# 29 ILE HB 32 ALA MB 8.00 (# 1330:20 Unique 5.39, 6.51 A)
&rst
ixpk= 1330, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 490, 491, 492,
&end
#
# 29 ILE MG2 32 ALA MB 6.00 (# 1332:20 Unique 3.79, 6.02 A)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 429, 430, 431,
igr2= 490, 491, 492,
&end
#
# 0 AMB 20-2:1333 33 MET HA 8.00 (# 1333:20 Single Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, 498, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 547, 548, 596, 597, 596, 597, 535, 536, 550, 551,
644, 645,
&end
#
# 33 MET HG- 33 MET HA 4.50 (# 1334:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1334, nxpk= 20, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 503, 504,
&end
#
# 33 MET HA 0 AMB 20-1:1337 3.50 (# 1337:20 Single Ambig)
&rst
ixpk= 1337, nxpk= 20, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 500, 501, 500, 501,
&end
#
# 0 AMB 20-2:1339 0 AMB 20-1:1339 6.00 (# 1339:20 Double Ambig)
&rst
ixpk= 1339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 515, 608,
igr2= 500, 501, 500, 501,
&end
#
# 0 AMB 20-2:1340 0 AMB 20-1:1340 6.00 (# 1340:20 Double Ambig)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 606, 589,
igr2= 503, 504, 503, 504,
&end
#
# 43 PHE HE 33 MET HG- 6.00 (# 1342:20 Unique 2.33, 5.92 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 662, 666,
igr2= 503, 504,
&end
#
# 39 GLN HA 33 MET HG- 6.00 (# 1344:20 Unique 2.49, 3.62 A)
&rst
ixpk= 1344, nxpk= 20, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 503, 504,
&end
#
# 39 GLN HA 33 MET HG+ 4.50 (# 1345:20 Unique 2.49, 3.62 A)
&rst
ixpk= 1345, nxpk= 20, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 503, 504,
&end
#
# 30 LYS HA 33 MET HG- 6.00 (# 1346:20 Unique 3.68, 4.50 A)
&rst
ixpk= 1346, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 503, 504,
&end
#
# 30 LYS HA 33 MET HG+ 6.00 (# 1347:20 Unique 3.68, 4.50 A)
&rst
ixpk= 1347, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 503, 504,
&end
#
# 0 AMB 20-2:1348 0 AMB 20-1:1348 2.80 (# 1348:20 Double Ambig)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 500, 501, 500, 501,
igr2= 503, 504, 503, 504,
&end
#
# 0 AMB 20-2:1349 33 MET HG- 6.00 (# 1349:20 Single Ambig)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 490, 491, 492, 610, 611, 613,
igr2= 503, 504,
&end
#
# 0 AMB 20-2:1350 0 AMB 20-1:1350 8.00 (# 1350:20 Double Ambig)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 490, 491, 492, 613,
igr2= 503, 504, 503, 504,
&end
#
# 38 LYS HB+ 33 MET HG- 8.00 (# 1351:20 Unique 2.43, 4.36 A)
&rst
ixpk= 1351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 571, 572,
igr2= 503, 504,
&end
#
# 29 ILE MG2 33 MET HG+ 6.00 (# 1352:20 Unique 3.08, 4.57 A)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 429, 430, 431,
igr2= 503, 504,
&end
#
# 35 GLU HN 34 GLU HA 6.00 (# 1353:20 Unique 3.53, 3.58 A)
&rst
ixpk= 1353, nxpk= 20, iat= 528, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLU HG- 34 GLU HB+ 3.50 (# 1354:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 520, 521,
igr2= 517, 518,
&end
#
# 34 GLU HG- 34 GLU HB- 3.50 (# 1355:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 520, 521,
igr2= 517, 518,
&end
#
# 34 GLU HA 34 GLU HG- 4.50 (# 1358:20 Unique 2.36, 3.16 A)
&rst
ixpk= 1358, nxpk= 20, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 520, 521,
&end
#
# 36 GLN HN 35 GLU HA 6.00 (# 1360:20 Unique 3.37, 3.44 A)
&rst
ixpk= 1360, nxpk= 20, iat= 543, 530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1363 0 AMB 20-1:1363 6.00 (# 1363:20 Double Ambig)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 555, 556, 555, 556, 560,
igr2= 532, 533, 532, 533, 532, 533,
&end
#
# 32 ALA HA 0 AMB 20-1:1365 6.00 (# 1365:20 Single Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 532, 533, 532, 533,
&end
#
# 0 AMB 20-2:1368 0 AMB 20-1:1368 2.80 (# 1368:20 Double Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 535, 536, 535, 536, 550, 551, 550, 551,
igr2= 532, 533, 532, 533, 532, 533,
&end
#
# 35 GLU HG- 0 AMB 20-1:1369 2.80 (# 1369:20 Single Ambig)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 535, 536,
igr2= 532, 533, 532, 533,
&end
#
# 0 AMB 20-2:1371 0 AMB 20-1:1371 6.00 (# 1371:20 Double Ambig)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 471, 472, 471, 472, 471, 472,
igr2= 532, 533, 532, 533, 532, 533,
&end
#
# 30 LYS HG+ 34 GLU HG+ 8.00 (# 1382:20 Unique 2.65, 4.17 A)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 449, 450,
igr2= 520, 521,
&end
#
# 36 GLN HN 36 GLN HB+ 4.50 (# 1383:20 Unique 2.62, 3.27 A)
&rst
ixpk= 1383, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 547, 548,
&end
#
# 38 LYS HN 36 GLN HB+ 8.00 (# 1384:20 Unique 2.99, 3.70 A)
&rst
ixpk= 1384, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 547, 548,
&end
#
# 38 LYS HN 36 GLN HB- 8.00 (# 1385:20 Unique 2.99, 3.70 A)
&rst
ixpk= 1385, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 547, 548,
&end
#
# 37 GLY HN 36 GLN HB+ 8.00 (# 1388:20 Unique 3.64, 4.06 A)
&rst
ixpk= 1388, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 547, 548,
&end
#
# 0 AMB 20-2:1391 0 AMB 20-1:1391 6.00 (# 1391:20 Double Ambig)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 532, 533, 532, 533,
igr2= 547, 548, 547, 548,
&end
#
# 38 LYS HG- 36 GLN HB+ 6.00 (# 1392:20 Unique 2.32, 3.58 A)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 574, 575,
igr2= 547, 548,
&end
#
# 38 LYS HG- 36 GLN HB- 4.50 (# 1393:20 Unique 2.32, 3.58 A)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 574, 575,
igr2= 547, 548,
&end
#
# 0 AMB 20-2:1394 36 GLN HB- 6.00 (# 1394:20 Single Ambig)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 574, 575, 577, 578, 577, 578,
igr2= 547, 548,
&end
#
# 0 AMB 20-2:1395 0 AMB 20-1:1395 6.00 (# 1395:20 Double Ambig)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 574, 575, 577, 578, 577, 578,
igr2= 547, 548, 547, 548, 547, 548,
&end
#
# 32 ALA MB 36 GLN HB+ 6.00 (# 1396:20 Unique 3.07, 5.02 A)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491, 492,
igr2= 547, 548,
&end
#
# 32 ALA MB 36 GLN HB- 6.00 (# 1397:20 Unique 3.07, 5.02 A)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491, 492,
igr2= 547, 548,
&end
#
# 36 GLN HN 36 GLN HG- 4.50 (# 1398:20 Unique 2.73, 3.53 A)
&rst
ixpk= 1398, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 550, 551,
&end
#
# 32 ALA HA 36 GLN HG+ 6.00 (# 1403:20 Unique 2.75, 3.64 A)
&rst
ixpk= 1403, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 550, 551,
&end
#
# 32 ALA HA 36 GLN HG- 6.00 (# 1404:20 Unique 2.75, 3.64 A)
&rst
ixpk= 1404, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 550, 551,
&end
#
# 0 AMB 20-2:1408 36 GLN HG- 3.50 (# 1408:20 Single Ambig)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 532, 533, 532, 533,
igr2= 550, 551,
&end
#
# 36 GLN HN 0 AMB 20-1:1416 6.00 (# 1416:20 Single Ambig)
&rst
ixpk= 1416, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1417 0 AMB 20-1:1417 6.00 (# 1417:20 Double Ambig)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 545, 591,
igr2= 562, 563, 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1418 0 AMB 20-1:1418 4.50 (# 1418:20 Double Ambig)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 498, 569,
igr2= 562, 563, 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1425 0 AMB 20-1:1425 8.00 (# 1425:20 Double Ambig)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.25, r4=15.75,
igr1= 547, 548, 547, 548, 550, 551, 550, 551,
igr2= 562, 563, 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1426 0 AMB 20-1:1426 8.00 (# 1426:20 Double Ambig)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1= 547, 548, 503, 504, 503, 504,
igr2= 562, 563, 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1427 0 AMB 20-1:1427 8.00 (# 1427:20 Double Ambig)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.00, r4=16.50,
igr1= 517, 518, 532, 533, 532, 533, 532, 533,
igr2= 562, 563, 562, 563, 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1428 0 AMB 20-1:1428 6.00 (# 1428:20 Double Ambig)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 571, 572, 571, 572,
igr2= 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1429 0 AMB 20-1:1429 8.00 (# 1429:20 Double Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.61, r4=17.11,
igr1= 577, 578, 577, 578, 577, 578, 574, 575, 574, 575,
igr2= 562, 563, 562, 563, 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1433 3 ARG HA 6.00 (# 1433:20 Single Ambig)
&rst
ixpk= 1433, nxpk= 20, iat= -1, 26, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 31, 32, 31, 32, 28, 29,
&end
#
# 41 GLU HN 39 GLN HB+ 6.00 (# 1434:20 Unique 2.99, 3.34 A)
&rst
ixpk= 1434, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 593, 594,
&end
#
# 0 AMB 20-2:1436 39 GLN HB- 4.50 (# 1436:20 Single Ambig)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 629, 630, 629, 630,
igr2= 593, 594,
&end
#
# 40 LEU HB- 39 GLN HB- 6.00 (# 1437:20 Unique 3.79, 5.39 A)
&rst
ixpk= 1437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 610, 611,
igr2= 593, 594,
&end
#
# 41 GLU HN 0 AMB 20-1:1439 6.00 (# 1439:20 Single Ambig)
&rst
ixpk= 1439, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 596, 597, 596, 597,
&end
#
# 0 AMB 20-2:1447 0 AMB 20-1:1447 2.80 (# 1447:20 Double Ambig)
&rst
ixpk= 1447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 593, 594, 593, 594,
igr2= 596, 597, 596, 597,
&end
#
# 0 AMB 20-2:1449 38 LYS HA 6.00 (# 1449:20 Single Ambig)
&rst
ixpk= 1449, nxpk= 20, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 596, 597, 596, 597, 644, 645, 593, 594,
&end
#
# 38 LYS HN 38 LYS HB- 4.50 (# 1451:20 Unique 2.26, 3.03 A)
&rst
ixpk= 1451, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 571, 572,
&end
#
# 43 PHE HE 38 LYS HB- 4.50 (# 1452:20 Unique 2.38, 4.61 A)
&rst
ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 662, 666,
igr2= 571, 572,
&end
#
# 43 PHE HE 38 LYS HB+ 4.50 (# 1454:20 Unique 2.38, 4.61 A)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 662, 666,
igr2= 571, 572,
&end
#
# 39 GLN HN 38 LYS HB+ 4.50 (# 1455:20 Unique 2.17, 2.93 A)
&rst
ixpk= 1455, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 571, 572,
&end
#
# 42 ASP HB- 38 LYS HB- 4.50 (# 1457:20 Unique 2.35, 4.02 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 644, 645,
igr2= 571, 572,
&end
#
# 42 ASP HB- 38 LYS HB+ 8.00 (# 1458:20 Unique 2.35, 4.02 A)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 644, 645,
igr2= 571, 572,
&end
#
# 0 AMB 20-2:1459 0 AMB 20-1:1459 6.00 (# 1459:20 Double Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 503, 504, 547, 548,
igr2= 571, 572, 571, 572,
&end
#
# 38 LYS HG+ 38 LYS HB- 3.50 (# 1460:20 Unique 2.28, 2.67 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 574, 575,
igr2= 571, 572,
&end
#
# 38 LYS HG+ 38 LYS HB+ 3.50 (# 1461:20 Unique 2.28, 2.67 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 574, 575,
igr2= 571, 572,
&end
#
# 32 ALA MB 38 LYS HB- 8.00 (# 1462:20 Unique 2.31, 4.19 A)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 490, 491, 492,
igr2= 571, 572,
&end
#
# 32 ALA MB 38 LYS HB+ 6.00 (# 1463:20 Unique 2.31, 4.19 A)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491, 492,
igr2= 571, 572,
&end
#
# 38 LYS HN 38 LYS HG+ 6.00 (# 1464:20 Unique 2.21, 3.13 A)
&rst
ixpk= 1464, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 574, 575,
&end
#
# 38 LYS HN 38 LYS HG- 4.50 (# 1465:20 Unique 2.21, 3.13 A)
&rst
ixpk= 1465, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 574, 575,
&end
#
# 0 AMB 20-2:1466 0 AMB 20-1:1466 4.50 (# 1466:20 Double Ambig)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 569, 498,
igr2= 574, 575, 574, 575,
&end
#
# 38 LYS HE- 38 LYS HG- 6.00 (# 1467:20 Unique 2.33, 3.20 A)
&rst
ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 580, 581,
igr2= 574, 575,
&end
#
# 0 AMB 20-2:1468 38 LYS HG- 6.00 (# 1468:20 Single Ambig)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 547, 548, 644, 645,
igr2= 574, 575,
&end
#
# 36 GLN HB- 38 LYS HG- 4.50 (# 1469:20 Unique 2.32, 3.58 A)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 547, 548,
igr2= 574, 575,
&end
#
# 36 GLN HB- 38 LYS HG+ 6.00 (# 1470:20 Unique 2.32, 3.58 A)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 547, 548,
igr2= 574, 575,
&end
#
# 0 AMB 20-2:1471 0 AMB 20-1:1471 6.00 (# 1471:20 Double Ambig)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 547, 548, 644, 645,
igr2= 574, 575, 574, 575,
&end
#
# 38 LYS HB- 38 LYS HG+ 4.50 (# 1472:20 Unique 2.28, 2.67 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 571, 572,
igr2= 574, 575,
&end
#
# 38 LYS HB- 38 LYS HG- 4.50 (# 1473:20 Unique 2.28, 2.67 A)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 571, 572,
igr2= 574, 575,
&end
#
# 39 GLN HN 0 AMB 20-1:1475 6.00 (# 1475:20 Single Ambig)
&rst
ixpk= 1475, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 577, 578, 577, 578,
&end
#
# 38 LYS HN 0 AMB 20-1:1476 8.00 (# 1476:20 Single Ambig)
&rst
ixpk= 1476, nxpk= 20, iat= 567, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 577, 578, 577, 578,
&end
#
# 43 PHE HE 0 AMB 20-1:1477 8.00 (# 1477:20 Single Ambig)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 662, 666,
igr2= 577, 578, 577, 578,
&end
#
# 43 PHE HZ 0 AMB 20-1:1478 8.00 (# 1478:20 Single Ambig)
&rst
ixpk= 1478, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 577, 578, 577, 578,
&end
#
# 0 AMB 20-2:1481 0 AMB 20-1:1481 4.50 (# 1481:20 Double Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 644, 645, 644, 645, 547, 548, 547, 548,
igr2= 577, 578, 577, 578, 577, 578,
&end
#
# 38 LYS HB- 0 AMB 20-1:1482 4.50 (# 1482:20 Single Ambig)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 571, 572,
igr2= 577, 578, 577, 578,
&end
#
# 38 LYS HG- 0 AMB 20-1:1483 2.80 (# 1483:20 Single Ambig)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 574, 575,
igr2= 577, 578, 577, 578,
&end
#
# 43 PHE HN 40 LEU HA 6.00 (# 1485:20 Unique 3.49, 3.65 A)
&rst
ixpk= 1485, nxpk= 20, iat= 652, 608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ASP HN 40 LEU HA 6.00 (# 1486:20 Unique 3.60, 3.89 A)
&rst
ixpk= 1486, nxpk= 20, iat= 640, 608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 PHE HE 40 LEU HA 6.00 (# 1487:20 Unique 3.67, 5.82 A)
&rst
ixpk= 1487, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 662, 666,
&end
#
# 0 AMB 20-2:1489 40 LEU HA 6.00 (# 1489:20 Single Ambig)
&rst
ixpk= 1489, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 656, 657, 98, 99,
&end
#
# 40 LEU HB- 40 LEU HA 2.80 (# 1490:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1490, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 610, 611,
&end
#
# 29 ILE MG2 40 LEU HA 6.00 (# 1491:20 Unique 3.25, 4.22 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 429, 430, 431,
&end
#
# 7 TYR HE 40 LEU HB+ 6.00 (# 1492:20 Unique 2.09, 4.56 A)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 104, 109,
igr2= 610, 611,
&end
#
# 7 TYR HE 40 LEU HB- 6.00 (# 1493:20 Unique 2.09, 4.56 A)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 104, 109,
igr2= 610, 611,
&end
#
# 0 AMB 20-2:1494 0 AMB 20-1:1494 8.00 (# 1494:20 Double Ambig)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1= 632, 633, 593, 594, 596, 597,
igr2= 610, 611, 610, 611, 610, 611,
&end
#
# 0 AMB 20-2:1495 40 LEU HB- 8.00 (# 1495:20 Single Ambig)
&rst
ixpk= 1495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 632, 633, 593, 594, 596, 597,
igr2= 610, 611,
&end
#
# 33 MET ME 40 LEU HB+ 6.00 (# 1496:20 Unique 3.36, 6.09 A)
&rst
ixpk= 1496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 507, 508, 509,
igr2= 610, 611,
&end
#
# 33 MET ME 40 LEU HB- 6.00 (# 1497:20 Unique 3.36, 6.09 A)
&rst
ixpk= 1497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 507, 508, 509,
igr2= 610, 611,
&end
#
# 43 PHE HB- 40 LEU MDX 6.00 (# 1508:20 Unique 2.55, 6.65 A)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 656, 657,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 20-2:1509 40 LEU MDX 6.00 (# 1509:20 Single Ambig)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 656, 657, 98, 99,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 29 ILE MG2 40 LEU MDX 3.50 (# 1515:20 Unique 2.41, 4.85 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 429, 430, 431,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 43 PHE HN 41 GLU HA 6.00 (# 1517:20 Unique 3.44, 3.65 A)
&rst
ixpk= 1517, nxpk= 20, iat= 652, 627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HD 41 GLU HA 6.00 (# 1518:20 Unique 4.41, 6.74 A)
&rst
ixpk= 1518, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 111,
&end
#
# 39 GLN HB+ 41 GLU HA 6.00 (# 1525:20 Unique 5.69, 5.94 A)
&rst
ixpk= 1525, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 593, 594,
&end
#
# 42 ASP HN 0 AMB 20-1:1528 6.00 (# 1528:20 Single Ambig)
&rst
ixpk= 1528, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 629, 630, 629, 630,
&end
#
# 0 AMB 20-2:1531 0 AMB 20-1:1531 2.80 (# 1531:20 Double Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 632, 633, 632, 633, 593, 594,
igr2= 629, 630, 629, 630,
&end
#
# 0 AMB 20-2:1532 0 AMB 20-1:1532 6.00 (# 1532:20 Double Ambig)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
igr2= 629, 630, 629, 630, 629, 630,
&end
#
# 41 GLU HN 41 GLU HG- 4.50 (# 1533:20 Unique 2.16, 3.37 A)
&rst
ixpk= 1533, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 632, 633,
&end
#
# 0 AMB 20-2:1534 0 AMB 20-1:1534 2.80 (# 1534:20 Double Ambig)
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 629, 630, 629, 630, 532, 533, 532, 533, 517, 518,
igr2= 632, 633, 632, 633, 535, 536, 535, 536, 535, 536,
&end
#
# 0 AMB 20-2:1535 41 GLU HG- 2.80 (# 1535:20 Single Ambig)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 629, 630, 629, 630,
igr2= 632, 633,
&end
#
# 48 LEU MDY 41 GLU HG+ 6.00 (# 1540:20 Unique 2.31, 5.49 A)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 632, 633,
&end
#
# 48 LEU MDY 41 GLU HG- 6.00 (# 1541:20 Unique 2.31, 5.49 A)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 632, 633,
&end
#
# 43 PHE HN 42 ASP HA 6.00 (# 1542:20 Unique 3.38, 3.43 A)
&rst
ixpk= 1542, nxpk= 20, iat= 652, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ASP HB- 42 ASP HA 4.50 (# 1545:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 644, 645,
&end
#
# 39 GLN HN 42 ASP HB- 4.50 (# 1546:20 Unique 2.88, 3.59 A)
&rst
ixpk= 1546, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 644, 645,
&end
#
# 39 GLN HN 42 ASP HB+ 6.00 (# 1547:20 Unique 2.88, 3.59 A)
&rst
ixpk= 1547, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 644, 645,
&end
#
# 43 PHE HN 42 ASP HB- 6.00 (# 1548:20 Unique 2.79, 3.67 A)
&rst
ixpk= 1548, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 644, 645,
&end
#
# 43 PHE HD 42 ASP HB- 6.00 (# 1549:20 Unique 2.75, 4.90 A)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 660, 668,
igr2= 644, 645,
&end
#
# 43 PHE HE 42 ASP HB- 6.00 (# 1550:20 Unique 2.83, 4.94 A)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 662, 666,
igr2= 644, 645,
&end
#
# 38 LYS HB- 42 ASP HB+ 6.00 (# 1551:20 Unique 2.35, 4.02 A)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 571, 572,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:1552 42 ASP HB- 6.00 (# 1552:20 Single Ambig)
&rst
ixpk= 1552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 577, 578, 577, 578, 574, 575,
igr2= 644, 645,
&end
#
# 38 LYS HB+ 42 ASP HB- 6.00 (# 1553:20 Unique 2.35, 4.02 A)
&rst
ixpk= 1553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 571, 572,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:1554 0 AMB 20-1:1554 6.00 (# 1554:20 Double Ambig)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 577, 578, 577, 578,
igr2= 644, 645, 644, 645,
&end
#
# 8 SER HN 43 PHE HB- 6.00 (# 1556:20 Unique 2.53, 3.51 A)
&rst
ixpk= 1556, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 656, 657,
&end
#
# 43 PHE HN 43 PHE HB- 6.00 (# 1557:20 Unique 2.46, 3.12 A)
&rst
ixpk= 1557, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 656, 657,
&end
#
# 7 TYR HD 43 PHE HB- 6.00 (# 1558:20 Unique 2.19, 4.87 A)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 111,
igr2= 656, 657,
&end
#
# 43 PHE HA 43 PHE HB- 4.50 (# 1559:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1559, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 656, 657,
&end
#
# 43 PHE HA 43 PHE HB+ 4.50 (# 1560:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1560, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 656, 657,
&end
#
# 29 ILE MD1 43 PHE HB- 6.00 (# 1561:20 Unique 2.51, 3.68 A)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 436, 437, 438,
igr2= 656, 657,
&end
#
# 29 ILE MD1 43 PHE HB+ 6.00 (# 1562:20 Unique 2.51, 3.68 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 436, 437, 438,
igr2= 656, 657,
&end
#
# 0 AMB 20-2:1564 44 LEU HA 6.00 (# 1564:20 Single Ambig)
&rst
ixpk= 1564, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 98, 99, 656, 657,
&end
#
# 45 ILE HN 44 LEU HB- 6.00 (# 1567:20 Unique 2.46, 3.70 A)
&rst
ixpk= 1567, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 45 ILE HN 44 LEU HB+ 6.00 (# 1568:20 Unique 2.46, 3.70 A)
&rst
ixpk= 1568, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 7 TYR HE 44 LEU HB- 6.00 (# 1570:20 Unique 2.29, 4.75 A)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 104, 109,
igr2= 676, 677,
&end
#
# 41 GLU HA 44 LEU HB+ 6.00 (# 1571:20 Unique 2.17, 2.79 A)
&rst
ixpk= 1571, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 676, 677,
&end
#
# 45 ILE HG1- 44 LEU HB+ 6.00 (# 1576:20 Double Ambig)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 701, 702,
igr2= 676, 677,
&end
#
# 45 ILE HG1- 44 LEU HB- 6.00 (# 1577:20 Single Ambig)
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 701, 702,
igr2= 676, 677,
&end
#
# 44 LEU HN 0 AMB 20-1:1582 6.00 (# 1582:20 Single Ambig)
&rst
ixpk= 1582, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 7 TYR HA 0 AMB 20-1:1584 6.00 (# 1584:20 Single Ambig)
&rst
ixpk= 1584, nxpk= 20, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 45 ILE HA 0 AMB 20-1:1585 6.00 (# 1585:20 Single Ambig)
&rst
ixpk= 1585, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 48 LEU MDY 0 AMB 20-1:1588 2.80 (# 1588:20 Single Ambig)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 756, 757, 758, 760, 761, 762,
igr2= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 0 AMB 20-2:1604 45 ILE HA 6.00 (# 1604:20 Single Ambig)
&rst
ixpk= 1604, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 676, 677, 679, 714, 715,
&end
#
# 45 ILE MD1 45 ILE HA 6.00 (# 1605:20 Unique 4.49, 4.92 A)
&rst
ixpk= 1605, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 704, 705, 706,
&end
#
# 46 LYS HN 45 ILE HB 6.00 (# 1606:20 Unique 2.33, 3.04 A)
&rst
ixpk= 1606, nxpk= 20, iat= 710, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HA 45 ILE HB 8.00 (# 1607:20 Unique 4.06, 4.66 A)
&rst
ixpk= 1607, nxpk= 20, iat= 96, 695, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:1608 45 ILE HB 6.00 (# 1608:20 Single Ambig)
&rst
ixpk= 1608, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 74, 712,
&end
#
# 45 ILE HA 45 ILE HB 4.50 (# 1609:20 Unique 2.49, 2.84 A)
&rst
ixpk= 1609, nxpk= 20, iat= 693, 695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 ILE HG1- 45 ILE HB 3.50 (# 1610:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1610, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 701, 702,
&end
#
# 18 THR MG2 45 ILE HB 8.00 (# 1611:20 Unique 5.76, 7.03 A)
&rst
ixpk= 1611, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 268, 269, 270,
&end
#
# 45 ILE HG1+ 45 ILE HB 4.50 (# 1612:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 701, 702,
&end
#
# 45 ILE HN 45 ILE HG1+ 6.00 (# 1614:20 Unique 1.88, 2.76 A)
&rst
ixpk= 1614, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 701, 702,
&end
#
# 7 TYR HA 45 ILE HG1- 6.00 (# 1615:20 Unique 2.29, 3.19 A)
&rst
ixpk= 1615, nxpk= 20, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 701, 702,
&end
#
# 0 AMB 20-2:1616 45 ILE HG1- 6.00 (# 1616:20 Single Ambig)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 674, 712,
igr2= 701, 702,
&end
#
# 0 AMB 20-2:1617 0 AMB 20-1:1617 8.00 (# 1617:20 Double Ambig)
&rst
ixpk= 1617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 674, 712,
igr2= 701, 702, 701, 702,
&end
#
# 45 ILE HA 45 ILE HG1- 4.50 (# 1618:20 Unique 2.63, 3.30 A)
&rst
ixpk= 1618, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 701, 702,
&end
#
# 8 SER HB+ 45 ILE HG1+ 4.50 (# 1620:20 Unique 3.38, 4.81 A)
&rst
ixpk= 1620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 119, 120,
igr2= 701, 702,
&end
#
# 45 ILE MG2 45 ILE HG1+ 4.50 (# 1623:20 Unique 2.40, 3.54 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 697, 698, 699,
igr2= 701, 702,
&end
#
# 45 ILE MD1 45 ILE HG1+ 3.50 (# 1624:20 Unique 2.32, 2.64 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 704, 705, 706,
igr2= 701, 702,
&end
#
# 45 ILE HN 45 ILE MD1 6.00 (# 1625:20 Unique 4.15, 4.62 A)
&rst
ixpk= 1625, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 704, 705, 706,
&end
#
# 7 TYR HN 45 ILE MD1 6.00 (# 1626:20 Unique 2.85, 4.36 A)
&rst
ixpk= 1626, nxpk= 20, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 704, 705, 706,
&end
#
# 6 LYS HN 45 ILE MD1 6.00 (# 1627:20 Unique 3.49, 5.61 A)
&rst
ixpk= 1627, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 704, 705, 706,
&end
#
# 45 ILE HG1+ 45 ILE MD1 2.80 (# 1633:20 Unique 2.32, 2.64 A)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 701, 702,
igr2= 704, 705, 706,
&end
#
# 45 ILE MG2 45 ILE MD1 3.50 (# 1635:20 Unique 2.20, 3.77 A)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 697, 698, 699,
igr2= 704, 705, 706,
&end
#
# 0 AMB 20-2:1644 45 ILE MG2 6.00 (# 1644:20 Single Ambig)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 94, 732,
igr2= 697, 698, 699,
&end
#
# 8 SER HB+ 45 ILE MG2 6.00 (# 1648:20 Unique 2.38, 5.51 A)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 119, 120,
igr2= 697, 698, 699,
&end
#
# 46 LYS HB+ 45 ILE MG2 8.00 (# 1650:20 Unique 3.36, 6.30 A)
&rst
ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 714, 715,
igr2= 697, 698, 699,
&end
#
# 0 AMB 20-2:1651 45 ILE MG2 6.00 (# 1651:20 Single Ambig)
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 714, 715, 676, 677,
igr2= 697, 698, 699,
&end
#
# 45 ILE HG1+ 45 ILE MG2 4.50 (# 1652:20 Unique 2.40, 3.54 A)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 701, 702,
igr2= 697, 698, 699,
&end
#
# 47 GLU HN 47 GLU HB- 4.50 (# 1666:20 Unique 2.19, 3.15 A)
&rst
ixpk= 1666, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 736, 737,
&end
#
# 47 GLU HG+ 47 GLU HB- 2.80 (# 1669:20 Unique 2.33, 2.73 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 739, 740,
igr2= 736, 737,
&end
#
# 0 AMB 20-2:1670 0 AMB 20-1:1670 2.80 (# 1670:20 Double Ambig)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 739, 740, 739, 740, 739, 740, 739, 740,
igr2= 736, 737, 736, 737, 770, 771, 770, 771, 770, 771,
&end
#
# 47 GLU HN 47 GLU HG+ 4.50 (# 1674:20 Unique 2.40, 4.16 A)
&rst
ixpk= 1674, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 739, 740,
&end
#
# 0 AMB 20-2:1678 0 AMB 20-1:1678 2.80 (# 1678:20 Double Ambig)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 770, 771, 770, 771, 770, 771,
igr2= 773, 774, 773, 774, 773, 774,
&end
#
# 47 GLU HN 46 LYS HB+ 6.00 (# 1684:20 Unique 2.01, 3.39 A)
&rst
ixpk= 1684, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 714, 715,
&end
#
# 47 GLU HN 46 LYS HB- 6.00 (# 1685:20 Unique 2.01, 3.39 A)
&rst
ixpk= 1685, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 714, 715,
&end
#
# 0 AMB 20-2:1686 0 AMB 20-1:1686 4.50 (# 1686:20 Double Ambig)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 76, 77, 701, 702,
igr2= 714, 715, 714, 715,
&end
#
# 0 AMB 20-2:1687 46 LYS HB- 3.50 (# 1687:20 Single Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 76, 77, 701, 702,
igr2= 714, 715,
&end
#
# 46 LYS HN 0 AMB 20-1:1688 6.00 (# 1688:20 Single Ambig)
&rst
ixpk= 1688, nxpk= 20, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 717, 718, 717, 718,
&end
#
# 0 AMB 20-2:1689 0 AMB 20-1:1689 4.50 (# 1689:20 Double Ambig)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 712, 74,
igr2= 717, 718, 717, 718, 717, 718,
&end
#
# 0 AMB 20-2:1690 0 AMB 20-1:1690 2.80 (# 1690:20 Double Ambig)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 474, 475, 474, 475, 474, 475,
igr2= 471, 472, 471, 472, 471, 472,
&end
#
# 0 AMB 20-2:1697 0 AMB 20-1:1697 2.80 (# 1697:20 Double Ambig)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 76, 77, 76, 77, 701, 702,
igr2= 720, 721, 720, 721, 720, 721,
&end
#
# 0 AMB 20-2:1703 48 LEU HA 3.50 (# 1703:20 Single Ambig)
&rst
ixpk= 1703, nxpk= 20, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 751, 752, 754,
&end
#
# 0 AMB 20-2:1704 48 LEU HA 3.50 (# 1704:20 Single Ambig)
&rst
ixpk= 1704, nxpk= 20, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 82, 83, 82, 83, 751, 752,
&end
#
# 45 ILE HN 48 LEU HB+ 8.00 (# 1705:20 Unique 4.84, 7.04 A)
&rst
ixpk= 1705, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 751, 752,
&end
#
# 34 GLU HN 33 MET HA 6.00 (# 1726:20 Unique 3.59, 3.60 A)
&rst
ixpk= 1726, nxpk= 20, iat= 513, 498, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 SER HN 8 SER HA 6.00 (# 1727:20 Unique 2.92, 2.95 A)
&rst
ixpk= 1727, nxpk= 20, iat= 115, 117, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 ARG HN 0 AMB 20-1:1730 6.00 (# 1730:20 Single Ambig)
&rst
ixpk= 1730, nxpk= 20, iat= 24, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 18, 19, 20, 8, 9, 10,
&end
#
# 4 PRO HD+ 3 ARG HA 4.50 (# 1731:20 Unique 2.10, 2.50 A)
&rst
ixpk= 1731, nxpk= 20, iat= -1, 26, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 49, 50,
&end
#
# 4 PRO HD- 3 ARG HA 4.50 (# 1732:20 Unique 2.10, 2.50 A)
&rst
ixpk= 1732, nxpk= 20, iat= -1, 26, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 49, 50,
&end
#
# 3 ARG HB- 3 ARG HA 6.00 (# 1733:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, 26, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 28, 29,
&end
#
# 6 LYS HG+ 20 THR HA 6.00 (# 1734:20 Unique 2.74, 5.28 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 79, 80,
&end
#
# 0 AMB 20-2:1740 0 AMB 20-1:1740 3.50 (# 1740:20 Double Ambig)
&rst
ixpk= 1740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 79, 80, 79, 80,
igr2= 82, 83, 82, 83,
&end
#
# 9 TYR HN 9 TYR HB- 8.00 (# 1747:20 Unique 3.29, 3.69 A)
&rst
ixpk= 1747, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 130, 131,
&end
#
# 43 PHE HE 9 TYR HB+ 6.00 (# 1748:20 Unique 2.97, 5.55 A)
&rst
ixpk= 1748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 662, 666,
igr2= 130, 131,
&end
#
# 9 TYR HD 10 VAL HA 8.00 (# 1749:20 Unique 3.92, 5.54 A)
&rst
ixpk= 1749, nxpk= 20, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 134, 143,
&end
#
# 9 TYR HA 10 VAL HB 8.00 (# 1751:20 Unique 3.76, 4.34 A)
&rst
ixpk= 1751, nxpk= 20, iat= 128, 151, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 11 ASP HB- 12 GLU HA 8.00 (# 1754:20 Unique 4.57, 5.49 A)
&rst
ixpk= 1754, nxpk= 20, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 167, 168,
&end
#
# 13 ASN HN 12 GLU HB- 6.00 (# 1757:20 Unique 2.35, 3.35 A)
&rst
ixpk= 1757, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 13 ASN HN 12 GLU HB+ 6.00 (# 1758:20 Unique 2.35, 3.35 A)
&rst
ixpk= 1758, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 0 AMB 20-2:1759 0 AMB 20-1:1759 8.00 (# 1759:20 Double Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 192, 654,
igr2= 179, 180, 629, 630,
&end
#
# 13 ASN HN 0 AMB 20-1:1760 4.50 (# 1760:20 Single Ambig)
&rst
ixpk= 1760, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 182, 183, 182, 183,
&end
#
# 13 ASN HN 13 ASN HA 8.00 (# 1764:20 Unique 2.85, 2.92 A)
&rst
ixpk= 1764, nxpk= 20, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:1767 15 GLU HA 6.00 (# 1767:20 Single Ambig)
&rst
ixpk= 1767, nxpk= 20, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 9 TYR HN 16 THR MG2 6.00 (# 1771:20 Unique 4.60, 6.31 A)
&rst
ixpk= 1771, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 232, 233, 234,
&end
#
# 34 GLU HB- 30 LYS HG+ 6.00 (# 1774:20 Unique 3.66, 5.22 A)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 517, 518,
igr2= 449, 450,
&end
#
# 17 LYS HA 18 THR MG2 6.00 (# 1781:20 Unique 3.47, 4.84 A)
&rst
ixpk= 1781, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 268, 269, 270,
&end
#
# 18 THR HA 19 TRP HA 8.00 (# 1785:20 Unique 4.52, 4.54 A)
&rst
ixpk= 1785, nxpk= 20, iat= 264, 278, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 6 LYS HN 20 THR MG2 6.00 (# 1790:20 Unique 3.76, 5.04 A)
&rst
ixpk= 1790, nxpk= 20, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 306, 307, 308,
&end
#
# 22 GLN HN 20 THR MG2 8.00 (# 1791:20 Unique 4.65, 5.11 A)
&rst
ixpk= 1791, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 306, 307, 308,
&end
#
# 19 TRP HA 20 THR MG2 6.00 (# 1792:20 Unique 3.39, 4.54 A)
&rst
ixpk= 1792, nxpk= 20, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 306, 307, 308,
&end
#
# 23 GLY HN 0 AMB 20-1:1793 6.00 (# 1793:20 Single Ambig)
&rst
ixpk= 1793, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 328, 329, 328, 329,
&end
#
# 24 ARG HA 23 GLY HA+ 6.00 (# 1794:20 Unique 4.40, 4.58 A)
&rst
ixpk= 1794, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 340, 341,
&end
#
# 22 GLN HB- 23 GLY HA+ 8.00 (# 1795:20 Unique 4.20, 4.83 A)
&rst
ixpk= 1795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 325, 326,
igr2= 340, 341,
&end
#
# 0 AMB 20-2:1797 24 ARG HA 6.00 (# 1797:20 Single Ambig)
&rst
ixpk= 1797, nxpk= 20, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 355, 356, 355, 356,
&end
#
# 25 THR HN 0 AMB 20-1:1798 6.00 (# 1798:20 Single Ambig)
&rst
ixpk= 1798, nxpk= 20, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 349, 350, 349, 350,
&end
#
# 0 AMB 20-2:1801 0 AMB 20-1:1801 8.00 (# 1801:20 Double Ambig)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1= 16, 340, 341,
igr2= 28, 29, 349, 350, 349, 350,
&end
#
# 0 AMB 20-2:1803 0 AMB 20-1:1803 4.50 (# 1803:20 Double Ambig)
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 347, 768,
igr2= 352, 353, 754,
&end
#
# 0 AMB 20-2:1804 0 AMB 20-1:1804 4.50 (# 1804:20 Double Ambig)
&rst
ixpk= 1804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 749, 734, 340, 341,
igr2= 754, 352, 353,
&end
#
# 0 AMB 20-2:1811 25 THR MG2 6.00 (# 1811:20 Single Ambig)
&rst
ixpk= 1811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 369, 407,
igr2= 375, 376, 377,
&end
#
# 19 TRP HZ3 25 THR MG2 6.00 (# 1812:20 Unique 2.86, 4.19 A)
&rst
ixpk= 1812, nxpk= 20, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 375, 376, 377,
&end
#
# 29 ILE HN 25 THR MG2 6.00 (# 1813:20 Unique 4.09, 5.08 A)
&rst
ixpk= 1813, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 375, 376, 377,
&end
#
# 29 ILE HA 25 THR MG2 8.00 (# 1818:20 Unique 4.78, 5.29 A)
&rst
ixpk= 1818, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 375, 376, 377,
&end
#
# 30 LYS HB- 25 THR MG2 6.00 (# 1819:20 Unique 2.80, 4.19 A)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 446, 447,
igr2= 375, 376, 377,
&end
#
# 0 AMB 20-2:1820 25 THR MG2 4.50 (# 1820:20 Single Ambig)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 384, 385, 452, 453,
igr2= 375, 376, 377,
&end
#
# 30 LYS HB+ 25 THR MG2 4.50 (# 1821:20 Unique 2.80, 4.19 A)
&rst
ixpk= 1821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 446, 447,
igr2= 375, 376, 377,
&end
#
# 29 ILE MG2 25 THR MG2 3.50 (# 1822:20 Unique 2.53, 3.52 A)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 429, 430, 431,
igr2= 375, 376, 377,
&end
#
# 9 TYR HE 26 PRO HG+ 6.00 (# 1825:20 Unique 2.59, 4.85 A)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 136, 141,
igr2= 387, 388,
&end
#
# 9 TYR HA 28 VAL MGX 6.00 (# 1829:20 Unique 4.21, 6.24 A)
&rst
ixpk= 1829, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 413, 414, 415, 417, 418, 419,
&end
#
# 28 VAL MGX 29 ILE HA 8.00 (# 1830:20 Unique 3.68, 5.51 A)
&rst
ixpk= 1830, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 413, 414, 415, 417, 418, 419,
&end
#
# 32 ALA HN 30 LYS HA 6.00 (# 1832:20 Unique 4.57, 4.65 A)
&rst
ixpk= 1832, nxpk= 20, iat= 486, 444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1834 30 LYS HA 8.00 (# 1834:20 Single Ambig)
&rst
ixpk= 1834, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 455, 456, 455, 456,
&end
#
# 33 MET HG- 30 LYS HA 6.00 (# 1835:20 Unique 3.68, 4.50 A)
&rst
ixpk= 1835, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 503, 504,
&end
#
# 0 AMB 20-2:1836 30 LYS HA 8.00 (# 1836:20 Single Ambig)
&rst
ixpk= 1836, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 503, 504, 520, 521,
&end
#
# 29 ILE MG2 30 LYS HA 6.00 (# 1837:20 Unique 3.67, 4.83 A)
&rst
ixpk= 1837, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 429, 430, 431,
&end
#
# 31 LYS HN 30 LYS HB- 3.50 (# 1838:20 Unique 2.54, 3.32 A)
&rst
ixpk= 1838, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 446, 447,
&end
#
# 28 VAL HA 30 LYS HB- 6.00 (# 1839:20 Unique 5.06, 5.91 A)
&rst
ixpk= 1839, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 25 THR HB 30 LYS HB+ 6.00 (# 1840:20 Unique 2.44, 3.61 A)
&rst
ixpk= 1840, nxpk= 20, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 31 LYS HN 30 LYS HG- 6.00 (# 1841:20 Unique 2.79, 3.61 A)
&rst
ixpk= 1841, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 449, 450,
&end
#
# 34 GLU HG- 30 LYS HG- 8.00 (# 1842:20 Unique 2.65, 4.17 A)
&rst
ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 520, 521,
igr2= 449, 450,
&end
#
# 38 LYS HA 38 LYS HE- 8.00 (# 1844:20 Unique 1.91, 4.17 A)
&rst
ixpk= 1844, nxpk= 20, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 580, 581,
&end
#
# 31 LYS HA 0 AMB 20-1:1845 6.00 (# 1845:20 Single Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 477, 478, 477, 478,
&end
#
# 31 LYS HN 32 ALA MB 8.00 (# 1847:20 Unique 4.90, 5.51 A)
&rst
ixpk= 1847, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 490, 491, 492,
&end
#
# 32 ALA HN 33 MET HG- 8.00 (# 1852:20 Unique 4.71, 5.55 A)
&rst
ixpk= 1852, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 503, 504,
&end
#
# 30 LYS HG+ 34 GLU HG- 6.00 (# 1853:20 Unique 2.65, 4.17 A)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 449, 450,
igr2= 520, 521,
&end
#
# 37 GLY HN 36 GLN HB- 6.00 (# 1854:20 Unique 3.64, 4.06 A)
&rst
ixpk= 1854, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 547, 548,
&end
#
# 42 ASP HN 39 GLN HB- 8.00 (# 1859:20 Unique 3.66, 4.33 A)
&rst
ixpk= 1859, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 593, 594,
&end
#
# 42 ASP HN 39 GLN HB+ 6.00 (# 1860:20 Unique 3.66, 4.33 A)
&rst
ixpk= 1860, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 593, 594,
&end
#
# 40 LEU MDX 43 PHE HB+ 8.00 (# 1869:20 Unique 2.55, 6.65 A)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 656, 657,
&end
#
# 47 GLU HB- 47 GLU HA 3.50 (# 1871:20 Unique 2.37, 2.76 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 736, 737,
&end
#
# 0 AMB 20-2:1873 47 GLU HA 6.00 (# 1873:20 Single Ambig)
&rst
ixpk= 1873, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 79, 80, 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:1874 47 GLU HA 6.00 (# 1874:20 Single Ambig)
&rst
ixpk= 1874, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 0 AMB 20-2:1876 49 GLU HA 6.00 (# 1876:20 Single Ambig)
&rst
ixpk= 1876, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 773, 774, 773, 774,
&end
#
# 0 AMB 20-2:1877 0 AMB 20-1:1877 6.00 (# 1877:20 Double Ambig)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 477, 478, 477, 478, 477, 478,
igr2= 468, 469, 468, 469, 468, 469,
&end
#
# 31 LYS HN 0 AMB 20-1:1878 6.00 (# 1878:20 Single Ambig)
&rst
ixpk= 1878, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 471, 472, 471, 472,
&end
#
# 0 AMB 20-2:1885 0 AMB 20-1:1885 6.00 (# 1885:20 Double Ambig)
&rst
ixpk= 1885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 717, 718, 717, 718, 717, 718,
igr2= 723, 724, 723, 724, 723, 724,
&end
#
# 40 LEU MDX 7 TYR HB+ 6.00 (# 1886:20 Unique 3.87, 7.23 A)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 98, 99,
&end
#
# 0 AMB 20-2:1887 46 LYS HB- 8.00 (# 1887:20 Single Ambig)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 747, 62,
igr2= 714, 715,
&end
#
# 40 LEU HA 38 LYS HB- 8.00 (# 1888:20 Unique 5.35, 6.15 A)
&rst
ixpk= 1888, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 571, 572,
&end
#
# 39 GLN HN 38 LYS HG+ 8.00 (# 1889:20 Unique 3.38, 4.42 A)
&rst
ixpk= 1889, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 574, 575,
&end
#
# 39 GLN HN 38 LYS HG- 8.00 (# 1890:20 Unique 3.38, 4.42 A)
&rst
ixpk= 1890, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 574, 575,
&end
#
# 36 GLN HN 38 LYS HG- 8.00 (# 1891:20 Unique 4.05, 5.46 A)
&rst
ixpk= 1891, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 574, 575,
&end
#
# 36 GLN HN 38 LYS HG+ 8.00 (# 1892:20 Unique 4.05, 5.46 A)
&rst
ixpk= 1892, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 574, 575,
&end
#
# 38 LYS HE+ 38 LYS HG+ 4.50 (# 1894:20 Unique 2.33, 3.20 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 580, 581,
igr2= 574, 575,
&end
#
# 6 LYS HA 0 AMB 20-1:1895 6.00 (# 1895:20 Double Ambig)
&rst
ixpk= 1895, nxpk= 20, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 85, 86, 85, 86,
&end
#
# 7 TYR HD 40 LEU HB- 8.00 (# 1897:20 Unique 2.55, 5.86 A)
&rst
ixpk= 1897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 102, 111,
igr2= 610, 611,
&end
#
# 39 GLN HA 40 LEU HB- 6.00 (# 1898:20 Unique 4.35, 5.30 A)
&rst
ixpk= 1898, nxpk= 20, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 610, 611,
&end
#
# 40 LEU HN 40 LEU MDY 6.00 (# 1900:20 Unique 2.00, 3.95 A)
&rst
ixpk= 1900, nxpk= 20, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 43 PHE HD 40 LEU MDY 8.00 (# 1902:20 Unique 3.05, 7.32 A)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 660, 668,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 19 TRP HH2 40 LEU MDY 6.00 (# 1903:20 Unique 2.49, 4.65 A)
&rst
ixpk= 1903, nxpk= 20, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 29 ILE MG2 40 LEU MDY 4.50 (# 1906:20 Unique 2.41, 4.85 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 429, 430, 431,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 33 MET HN 33 MET ME 6.00 (# 1924:20 Unique 3.97, 5.46 A)
&rst
ixpk= 1924, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 507, 508, 509,
&end
#
# 0 AMB 20-2:1949 25 THR HA 6.00 (# 1949:20 Single Ambig)
&rst
ixpk= 1949, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 355, 356, 355, 356,
&end
#
# 17 LYS HG+ 18 THR HA 8.00 (# 1951:20 Single Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 247, 248,
&end
#
# 0 AMB 20-2:1952 30 LYS HA 8.00 (# 1952:20 Single Ambig)
&rst
ixpk= 1952, nxpk= 20, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 513, 369,
&end
#
# 34 GLU HN 31 LYS HA 4.50 (# 1955:20 Unique 2.96, 3.24 A)
&rst
ixpk= 1955, nxpk= 20, iat= 513, 466, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1956 31 LYS HA 6.00 (# 1956:20 Single Ambig)
&rst
ixpk= 1956, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 520, 521, 535, 536,
&end
#
# 34 GLU HB- 31 LYS HA 6.00 (# 1957:20 Unique 2.30, 3.61 A)
&rst
ixpk= 1957, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 517, 518,
&end
#
# 34 GLU HB+ 31 LYS HA 6.00 (# 1958:20 Unique 2.30, 3.61 A)
&rst
ixpk= 1958, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 517, 518,
&end
#
# 38 LYS HG+ 33 MET HA 8.00 (# 1959:20 Unique 3.80, 5.13 A)
&rst
ixpk= 1959, nxpk= 20, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 574, 575,
&end
#
# 0 AMB 20-2:1960 0 AMB 20-1:1960 3.50 (# 1960:20 Double Ambig)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 369, 766,
igr2= 347, 768,
&end
#
# 0 AMB 20-2:1961 6 LYS HA 6.00 (# 1961:20 Single Ambig)
&rst
ixpk= 1961, nxpk= 20, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 66, 67, 68, 306, 307, 308,
&end
#
# 0 AMB 20-2:1962 47 GLU HA 6.00 (# 1962:20 Single Ambig)
&rst
ixpk= 1962, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 714, 715, 679, 676, 677,
&end
#
# 0 AMB 20-2:1963 47 GLU HA 6.00 (# 1963:20 Single Ambig)
&rst
ixpk= 1963, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 754, 751, 752, 676, 677,
&end
#
# 9 TYR HB+ 29 ILE MD1 6.00 (# 1974:20 Unique 2.26, 4.13 A)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 130, 131,
igr2= 436, 437, 438,
&end
#
# 34 GLU HN 33 MET ME 8.00 (# 1978:20 Unique 4.81, 6.56 A)
&rst
ixpk= 1978, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 507, 508, 509,
&end
#
# 0 AMB 20-2:1980 0 AMB 20-1:1980 4.50 (# 1980:20 Double Ambig)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 766, 211, 747,
igr2= 739, 740, 218, 219, 739, 740,
&end
#
# 0 AMB 20-2:1981 24 ARG HG- 3.50 (# 1981:20 Single Ambig)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 355, 356, 355, 356,
igr2= 352, 353,
&end
#
# 0 AMB 20-2:1982 0 AMB 20-1:1982 4.50 (# 1982:20 Double Ambig)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
igr1= 34, 35, 34, 35, 34, 35, 355, 356, 355, 356,
igr2= 31, 32, 31, 32, 31, 32, 352, 353, 352, 353,
&end
#
# 0 AMB 20-2:1983 44 LEU HG 3.50 (# 1983:20 Single Ambig)
&rst
ixpk= 1983, nxpk= 20, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 44 LEU HA 44 LEU HG 6.00 (# 1987:20 Unique 2.54, 3.48 A)
&rst
ixpk= 1987, nxpk= 20, iat= 674, 679, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1989 0 AMB 20-1:1989 3.50 (# 1989:20 Double Ambig)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
igr1= 31, 32, 31, 32, 31, 32, 352, 353, 352, 353,
349, 350, 349, 350, 349, 350,
igr2= 34, 35, 34, 35, 34, 35, 355, 356, 355, 356,
355, 356, 355, 356,
&end
#
# 24 ARG HG- 0 AMB 20-1:1990 4.50 (# 1990:20 Single Ambig)
&rst
ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 352, 353,
igr2= 355, 356, 355, 356,
&end
#
# 0 AMB 20-2:1991 0 AMB 20-1:1991 6.00 (# 1991:20 Double Ambig)
&rst
ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 28, 29, 28, 29,
igr2= 34, 35, 34, 35,
&end
#
# 2 ALA HN 2 ALA HA 8.00 (# 1994:20 Unique 2.25, 2.91 A)
&rst
ixpk= 1994, nxpk= 20, iat= 14, 16, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 2 ALA HA 2 ALA MB 4.50 (# 1995:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1995, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 18, 19, 20,
&end
#
# 1 ALA HA 0 AMB 20-1:1996 4.50 (# 1996:20 Single Ambig)
&rst
ixpk= 1996, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 8, 9, 10, 18, 19, 20,
&end
#
# 0 AMB 20-2:1997 5 ALA MB 4.50 (# 1997:20 Single Ambig)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 302, 58, 304,
igr2= 66, 67, 68,
&end
#
# 7 TYR HE 40 LEU HG 4.50 (# 1999:20 Unique 2.13, 4.92 A)
&rst
ixpk= 1999, nxpk= 20, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 104, 109,
&end
#
# 3 ARG HB- 0 AMB 20-1:2000 2.80 (# 2000:20 Single Ambig)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 28, 29,
igr2= 31, 32, 31, 32,
&end
#
# 4 PRO HD+ 4 PRO HB+ 6.00 (# 2001:20 Unique 2.77, 3.67 A)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 49, 50,
igr2= 55, 56,
&end
#
# 15 GLU HA 15 GLU HB+ 4.50 (# 2003:20 Unique 2.30, 2.54 A)
&rst
ixpk= 2003, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 215, 216,
&end
#
# 15 GLU HN 15 GLU HB+ 3.50 (# 2004:20 Unique 2.43, 3.04 A)
&rst
ixpk= 2004, nxpk= 20, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 215, 216,
&end
#
# 16 THR HN 0 AMB 20-1:2005 6.00 (# 2005:20 Single Ambig)
&rst
ixpk= 2005, nxpk= 20, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 215, 216, 215, 216,
&end
#
# 8 SER HB+ 45 ILE MD1 6.00 (# 2008:20 Unique 2.14, 3.73 A)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 119, 120,
igr2= 704, 705, 706,
&end
#
# 8 SER HB- 45 ILE MD1 6.00 (# 2009:20 Unique 2.14, 3.73 A)
&rst
ixpk= 2009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 119, 120,
igr2= 704, 705, 706,
&end
#
# 24 ARG HG- 24 ARG HA 6.00 (# 2010:20 Unique 2.48, 3.18 A)
&rst
ixpk= 2010, nxpk= 20, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 352, 353,
&end
#
# 16 THR HN 15 GLU HG+ 6.00 (# 2015:20 Unique 3.51, 4.82 A)
&rst
ixpk= 2015, nxpk= 20, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 218, 219,
&end
#
# 8 SER HB+ 18 THR MG2 6.00 (# 2017:20 Unique 2.19, 3.86 A)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 119, 120,
igr2= 268, 269, 270,
&end
#
# 38 LYS HE- 0 AMB 20-1:2019 6.00 (# 2019:20 Single Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 580, 581,
igr2= 577, 578, 577, 578,
&end
#
# 0 AMB 20-2:2020 0 AMB 20-1:2020 4.50 (# 2020:20 Double Ambig)
&rst
ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 723, 724, 723, 724, 723, 724,
igr2= 720, 721, 720, 721, 720, 721,
&end
#
# 0 AMB 20-2:2021 17 LYS HD- 4.50 (# 2021:20 Single Ambig)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 253, 254, 253, 254,
igr2= 250, 251,
&end
#
# 40 LEU HB+ 40 LEU MDY 4.50 (# 2022:20 Unique 2.41, 3.44 A)
&rst
ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 610, 611,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 20-2:2023 14 GLY HA- 6.00 (# 2023:20 Single Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
igr2= 206, 207,
&end
#
# 0 AMB 20-2:2024 0 AMB 20-1:2024 4.50 (# 2024:20 Double Ambig)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
igr2= 206, 207, 206, 207,
&end
#
# 33 MET HN 32 ALA HA 6.00 (# 2025:20 Unique 3.60, 3.61 A)
&rst
ixpk= 2025, nxpk= 20, iat= 496, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2026 0 AMB 20-1:2026 6.00 (# 2026:20 Double Ambig)
&rst
ixpk= 2026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 747, 766, 369,
igr2= 754, 352, 353,
&end
#
# 0 AMB 20-2:2027 0 AMB 20-1:2027 4.50 (# 2027:20 Double Ambig)
&rst
ixpk= 2027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
igr1= 34, 35, 34, 35, 34, 35, 355, 356, 355, 356,
igr2= 31, 32, 31, 32, 31, 32, 352, 353, 352, 353,
&end
#
# 0 AMB 20-2:2032 47 GLU HG- 4.50 (# 2032:20 Single Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 736, 737, 770, 771, 770, 771,
igr2= 739, 740,
&end
#
# 0 AMB 20-2:2034 46 LYS HA 6.00 (# 2034:20 Single Ambig)
&rst
ixpk= 2034, nxpk= 20, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 723, 724, 723, 724,
&end
#
# 46 LYS HB+ 46 LYS HA 4.50 (# 2035:20 Unique 2.43, 2.77 A)
&rst
ixpk= 2035, nxpk= 20, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 714, 715,
&end
#
# 45 ILE HG1- 0 AMB 20-1:2036 4.50 (# 2036:20 Single Ambig)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 701, 702,
igr2= 74, 712,
&end
#
# 31 LYS HA 0 AMB 20-1:2038 6.00 (# 2038:20 Single Ambig)
&rst
ixpk= 2038, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 471, 472, 471, 472,
&end
#
# 0 AMB 20-2:2039 0 AMB 20-1:2039 6.00 (# 2039:20 Double Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 712, 74,
igr2= 720, 721, 720, 721, 720, 721,
&end
#
# 7 TYR HD 7 TYR HB+ 6.00 (# 2040:20 Unique 2.34, 3.07 A)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 102, 111,
igr2= 98, 99,
&end
#
# 0 AMB 20-2:2041 0 AMB 20-1:2041 6.00 (# 2041:20 Double Ambig)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 76, 77, 701, 702, 76, 77, 76, 77,
igr2= 98, 99, 98, 99, 723, 724, 723, 724,
&end
#
# 8 SER HB- 45 ILE HG1- 6.00 (# 2042:20 Unique 3.38, 4.81 A)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 119, 120,
igr2= 701, 702,
&end
#
# 8 SER HB- 45 ILE HG1+ 6.00 (# 2043:20 Unique 3.38, 4.81 A)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 119, 120,
igr2= 701, 702,
&end
#
# 0 AMB 20-2:2045 44 LEU HA 6.00 (# 2045:20 Single Ambig)
&rst
ixpk= 2045, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 98, 99, 656, 657,
&end
#
# 17 LYS HG+ 17 LYS HA 8.00 (# 2046:20 Unique 2.35, 3.15 A)
&rst
ixpk= 2046, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 247, 248,
&end
#
# 17 LYS HD+ 17 LYS HB- 6.00 (# 2047:20 Unique 2.39, 3.16 A)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 250, 251,
igr2= 244, 245,
&end
#
# 17 LYS HD+ 17 LYS HB+ 6.00 (# 2048:20 Unique 2.39, 3.16 A)
&rst
ixpk= 2048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 250, 251,
igr2= 244, 245,
&end
#
# 19 TRP HZ3 7 TYR HB- 6.00 (# 2050:20 Unique 4.16, 4.69 A)
&rst
ixpk= 2050, nxpk= 20, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 98, 99,
&end
#
# 6 LYS HA 6 LYS HG- 6.00 (# 2051:20 Single Ambig)
&rst
ixpk= 2051, nxpk= 20, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 79, 80,
&end
#
# 0 AMB 20-2:2052 0 AMB 20-1:2052 6.00 (# 2052:20 Double Ambig)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 85, 86, 85, 86,
igr2= 79, 80, 79, 80,
&end
#
# 21 GLY HA- 22 GLN HA 8.00 (# 2053:20 Unique 4.52, 4.66 A)
&rst
ixpk= 2053, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 316, 317,
&end
#
# 24 ARG HN 24 ARG HG- 6.00 (# 2054:20 Unique 2.21, 3.62 A)
&rst
ixpk= 2054, nxpk= 20, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 352, 353,
&end
#
# 48 LEU MDX 48 LEU HG 6.00 (# 2055:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2055, nxpk= 20, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 20-2:2057 6 LYS HG- 6.00 (# 2057:20 Single Ambig)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 85, 86, 85, 86,
igr2= 79, 80,
&end
#
# 17 LYS HN 10 VAL HA 6.00 (# 2058:20 Unique 3.91, 4.14 A)
&rst
ixpk= 2058, nxpk= 20, iat= 240, 149, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2059 0 AMB 20-1:2059 6.00 (# 2059:20 Double Ambig)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 24, 369,
igr2= 28, 29, 349, 350, 349, 350,
&end
#
# 24 ARG HN 0 AMB 20-1:2060 6.00 (# 2060:20 Single Ambig)
&rst
ixpk= 2060, nxpk= 20, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 349, 350, 349, 350,
&end
#
# 0 AMB 20-2:2061 0 AMB 20-1:2061 6.00 (# 2061:20 Double Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 34, 35, 34, 35,
igr2= 28, 29, 28, 29,
&end
#
# 3 ARG HB- 0 AMB 20-1:2062 6.00 (# 2062:20 Single Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 28, 29,
igr2= 34, 35, 34, 35,
&end
#
# 45 ILE HN 7 TYR HA 4.50 (# 2066:20 Unique 2.81, 3.20 A)
&rst
ixpk= 2066, nxpk= 20, iat= 691, 96, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LYS HN 8 SER HA 8.00 (# 2067:20 Unique 4.64, 4.76 A)
&rst
ixpk= 2067, nxpk= 20, iat= 240, 117, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 8 SER HB+ 8 SER HA 4.50 (# 2068:20 Unique 2.38, 2.64 A)
&rst
ixpk= 2068, nxpk= 20, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 119, 120,
&end
#
# 0 AMB 20-2:2069 12 GLU HA 4.50 (# 2069:20 Single Ambig)
&rst
ixpk= 2069, nxpk= 20, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 190, 204,
&end
#
# 17 LYS HB- 17 LYS HG- 4.50 (# 2077:20 Unique 2.38, 2.68 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 244, 245,
igr2= 247, 248,
&end
#
# 30 LYS HG+ 28 VAL HA 6.00 (# 2078:20 Unique 5.92, 6.83 A)
&rst
ixpk= 2078, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 449, 450,
&end
#
# 41 GLU HG+ 41 GLU HA 4.50 (# 2082:20 Unique 2.43, 3.16 A)
&rst
ixpk= 2082, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 632, 633,
&end
#
# 43 PHE HZ 43 PHE HE 3.50 (# 2086:20 Unique 2.47, 2.49 A)
&rst
ixpk= 2086, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 662, 666,
&end
#
# 43 PHE HD 43 PHE HE 4.50 (# 2087:20 Unique 2.47, 3.73 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 660, 668,
igr2= 662, 666,
&end
#
# 17 LYS HN 8 SER HB+ 8.00 (# 2088:20 Unique 3.96, 5.66 A)
&rst
ixpk= 2088, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 119, 120,
&end
#
# 0 AMB 20-2:2089 16 THR HA 8.00 (# 2089:20 Single Ambig)
&rst
ixpk= 2089, nxpk= 20, iat= -1, 228, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 215, 216, 215, 216,
&end
#
# 30 LYS HG+ 27 ALA HA 6.00 (# 2093:20 Unique 3.57, 4.58 A)
&rst
ixpk= 2093, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 449, 450,
&end
#
# 17 LYS HG+ 11 ASP HB+ 6.00 (# 2104:20 Unique 5.97, 7.39 A)
&rst
ixpk= 2104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 247, 248,
igr2= 167, 168,
&end
#
# 0 AMB 20-2:2108 0 AMB 20-1:2108 4.50 (# 2108:20 Double Ambig)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 532, 533, 532, 533,
igr2= 550, 551, 550, 551,
&end
#
# 35 GLU HN 34 GLU HB- 4.50 (# 2111:20 Unique 2.52, 3.35 A)
&rst
ixpk= 2111, nxpk= 20, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 517, 518,
&end
#
# 0 AMB 20-2:2122 5 ALA HA 3.50 (# 2122:20 Single Ambig)
&rst
ixpk= 2122, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 302, 304,
&end
#
# 0 AMB 20-2:2126 0 AMB 20-1:2126 6.00 (# 2126:20 Double Ambig)
&rst
ixpk= 2126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 293, 104, 109,
igr2= 98, 99, 98, 99,
&end
#
# 17 LYS HN 8 SER HB- 8.00 (# 2128:20 Unique 3.96, 5.66 A)
&rst
ixpk= 2128, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 119, 120,
&end
#
# 17 LYS HG+ 11 ASP HB- 8.00 (# 2145:20 Unique 5.97, 7.39 A)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 247, 248,
igr2= 167, 168,
&end
#
# 9 TYR HA 16 THR MG2 6.00 (# 2157:20 Unique 5.18, 7.28 A)
&rst
ixpk= 2157, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 232, 233, 234,
&end
#
# 9 TYR HN 18 THR MG2 6.00 (# 2168:20 Unique 4.03, 5.20 A)
&rst
ixpk= 2168, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 268, 269, 270,
&end
#
# 22 GLN HA 23 GLY HA+ 6.00 (# 2182:20 Unique 4.49, 4.57 A)
&rst
ixpk= 2182, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 340, 341,
&end
#
# 28 VAL HB 26 PRO HA 8.00 (# 2188:20 Unique 5.98, 6.54 A)
&rst
ixpk= 2188, nxpk= 20, iat= 411, 393, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:2199 0 AMB 20-1:2199 3.50 (# 2199:20 Double Ambig)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 449, 450, 449, 450,
igr2= 468, 469, 468, 469,
&end
#
# 0 AMB 20-2:2201 0 AMB 20-1:2201 6.00 (# 2201:20 Double Ambig)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 477, 478, 477, 478, 477, 478,
igr2= 471, 472, 471, 472, 471, 472,
&end
#
# 0 AMB 20-2:2203 0 AMB 20-1:2203 2.80 (# 2203:20 Double Ambig)
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 503, 504, 503, 504, 520, 521, 520, 521,
igr2= 500, 501, 500, 501, 500, 501,
&end
#
# 0 AMB 20-2:2205 39 GLN HA 8.00 (# 2205:20 Single Ambig)
&rst
ixpk= 2205, nxpk= 20, iat= -1, 591, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 593, 594, 596, 597, 596, 597,
&end
#
# 0 AMB 20-2:2208 0 AMB 20-1:2208 4.50 (# 2208:20 Double Ambig)
&rst
ixpk= 2208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 601, 602, 601, 602,
igr2= 596, 597, 596, 597,
&end
#
# 0 AMB 20-2:2211 0 AMB 20-1:2211 3.50 (# 2211:20 Double Ambig)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 679, 676, 677, 610, 611,
igr2= 629, 630, 629, 630, 629, 630, 629, 630,
&end
#
# 0 AMB 20-2:2212 0 AMB 20-1:2212 3.50 (# 2212:20 Double Ambig)
&rst
ixpk= 2212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 593, 594, 593, 594,
igr2= 629, 630, 629, 630,
&end
#
# 38 LYS HE- 42 ASP HB+ 3.50 (# 2216:20 Unique 2.54, 3.81 A)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 580, 581,
igr2= 644, 645,
&end
#
# 7 TYR HE 44 LEU HG 6.00 (# 2222:20 Unique 2.71, 5.30 A)
&rst
ixpk= 2222, nxpk= 20, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 104, 109,
&end
#
# 16 THR HA 0 AMB 20-1:2225 4.50 (# 2225:20 Single Ambig)
&rst
ixpk= 2225, nxpk= 20, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 39 GLN HA 40 LEU HN 2.80 (# 2:10 Unique 2.32, 2.48 A)
&rst
ixpk= 2, nxpk= 10, iat= 591, 606, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 LEU HA 40 LEU HN 2.80 (# 3:10 Unique 2.77, 2.82 A)
&rst
ixpk= 3, nxpk= 10, iat= 608, 606, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:4 40 LEU HN 2.80 (# 4:10 Single Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 593, 594, 596, 597, 596, 597,
&end
#
# 33 MET ME 40 LEU HN 4.50 (# 5:10 Unique 2.77, 4.70 A)
&rst
ixpk= 5, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 507, 508, 509,
&end
#
# 39 GLN HB+ 40 LEU HN 4.50 (# 6:10 Unique 2.28, 3.01 A)
&rst
ixpk= 6, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 593, 594,
&end
#
# 40 LEU HB+ 40 LEU HN 2.80 (# 7:10 Unique 2.07, 2.92 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 610, 611,
&end
#
# 44 LEU HA 45 ILE HN 2.80 (# 8:10 Unique 2.07, 2.18 A)
&rst
ixpk= 8, nxpk= 10, iat= 674, 691, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 ILE HA 45 ILE HN 3.50 (# 9:10 Unique 2.96, 3.00 A)
&rst
ixpk= 9, nxpk= 10, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:10 45 ILE HN 3.50 (# 10:10 Single Ambig)
&rst
ixpk= 10, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 676, 677, 695,
&end
#
# 45 ILE HG1- 45 ILE HN 2.80 (# 11:10 Unique 1.88, 2.76 A)
&rst
ixpk= 11, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 701, 702,
&end
#
# 45 ILE HG1+ 45 ILE HN 4.50 (# 12:10 Unique 1.88, 2.76 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 701, 702,
&end
#
# 0 AMB 10-2:13 45 ILE HN 4.50 (# 13:10 Single Ambig)
&rst
ixpk= 13, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 697, 698, 699, 79, 80,
&end
#
# 0 AMB 10-2:14 45 ILE HN 3.50 (# 14:10 Single Ambig)
&rst
ixpk= 14, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 4 PRO HA 5 ALA HN 2.80 (# 16:10 Unique 2.22, 2.36 A)
&rst
ixpk= 16, nxpk= 10, iat= 58, 62, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ALA HA 5 ALA HN 4.50 (# 17:10 Unique 2.87, 2.92 A)
&rst
ixpk= 17, nxpk= 10, iat= 64, 62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HB+ 5 ALA HN 6.00 (# 18:10 Unique 2.52, 3.21 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 55, 56,
&end
#
# 5 ALA MB 5 ALA HN 2.80 (# 19:10 Unique 2.46, 3.29 A)
&rst
ixpk= 19, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 66, 67, 68,
&end
#
# 0 AMB 10-2:21 48 LEU HN 2.80 (# 21:10 Single Ambig)
&rst
ixpk= 21, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 749, 734,
&end
#
# 0 AMB 10-2:22 48 LEU HN 2.80 (# 22:10 Single Ambig)
&rst
ixpk= 22, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 754, 751, 752,
&end
#
# 11 ASP HN 15 GLU HN 6.00 (# 23:10 Unique 4.94, 5.59 A)
&rst
ixpk= 23, nxpk= 10, iat= 163, 211, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 GLU HA 15 GLU HN 2.80 (# 24:10 Unique 2.77, 2.84 A)
&rst
ixpk= 24, nxpk= 10, iat= 213, 211, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 GLY HA+ 15 GLU HN 3.50 (# 25:10 Unique 2.22, 2.63 A)
&rst
ixpk= 25, nxpk= 10, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 206, 207,
&end
#
# 0 AMB 10-2:26 15 GLU HN 6.00 (# 26:10 Single Ambig)
&rst
ixpk= 26, nxpk= 10, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 194, 195, 194, 195,
&end
#
# 15 GLU HG- 15 GLU HN 4.50 (# 27:10 Unique 1.99, 3.09 A)
&rst
ixpk= 27, nxpk= 10, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 218, 219,
&end
#
# 0 AMB 10-2:28 15 GLU HN 2.80 (# 28:10 Single Ambig)
&rst
ixpk= 28, nxpk= 10, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 215, 216, 215, 216,
&end
#
# 0 AMB 10-2:29 15 GLU HN 6.00 (# 29:10 Single Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 15 GLU HG+ 15 GLU HN 3.50 (# 30:10 Unique 1.99, 3.09 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 218, 219,
&end
#
# 43 PHE HN 44 LEU HN 2.80 (# 31:10 Unique 1.89, 2.09 A)
&rst
ixpk= 31, nxpk= 10, iat= 652, 672, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 LEU HA 44 LEU HN 3.50 (# 32:10 Unique 2.82, 2.85 A)
&rst
ixpk= 32, nxpk= 10, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 GLU HA 44 LEU HN 4.50 (# 33:10 Unique 2.62, 2.90 A)
&rst
ixpk= 33, nxpk= 10, iat= 627, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:34 44 LEU HN 2.80 (# 34:10 Single Ambig)
&rst
ixpk= 34, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 676, 677, 679,
&end
#
# 44 LEU HB+ 44 LEU HN 2.80 (# 35:10 Unique 2.02, 2.65 A)
&rst
ixpk= 35, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 676, 677,
&end
#
# 0 AMB 10-2:36 47 GLU HN 3.50 (# 36:10 Single Ambig)
&rst
ixpk= 36, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 712, 74,
&end
#
# 47 GLU HB- 47 GLU HN 3.50 (# 37:10 Unique 2.19, 3.15 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 736, 737,
&end
#
# 47 GLU HB+ 47 GLU HN 2.80 (# 38:10 Unique 2.19, 3.15 A)
&rst
ixpk= 38, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 736, 737,
&end
#
# 24 ARG HA 25 THR HN 2.80 (# 40:10 Unique 2.14, 2.20 A)
&rst
ixpk= 40, nxpk= 10, iat= 347, 369, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 THR HB 25 THR HN 2.80 (# 41:10 Unique 2.57, 2.62 A)
&rst
ixpk= 41, nxpk= 10, iat= 373, 369, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 THR HA 25 THR HN 3.50 (# 42:10 Unique 2.74, 2.80 A)
&rst
ixpk= 42, nxpk= 10, iat= 371, 369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:43 25 THR HN 2.80 (# 43:10 Single Ambig)
&rst
ixpk= 43, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 349, 350, 349, 350, 352, 353,
&end
#
# 18 THR HA 19 TRP HN 2.80 (# 45:10 Unique 2.31, 2.35 A)
&rst
ixpk= 45, nxpk= 10, iat= 264, 276, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 THR HB 19 TRP HN 3.50 (# 46:10 Unique 2.40, 2.48 A)
&rst
ixpk= 46, nxpk= 10, iat= 266, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:47 19 TRP HN 4.50 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 280, 281, 98, 99,
&end
#
# 23 GLY HA- 24 ARG HN 2.80 (# 49:10 Unique 2.17, 2.66 A)
&rst
ixpk= 49, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 340, 341,
&end
#
# 23 GLY HA+ 24 ARG HN 2.80 (# 50:10 Unique 2.17, 2.66 A)
&rst
ixpk= 50, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 340, 341,
&end
#
# 0 AMB 10-2:51 24 ARG HN 2.80 (# 51:10 Single Ambig)
&rst
ixpk= 51, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 352, 353, 349, 350, 349, 350,
&end
#
# 24 ARG HA 24 ARG HN 4.50 (# 52:10 Unique 2.84, 2.89 A)
&rst
ixpk= 52, nxpk= 10, iat= 347, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 ALA HA 3 ARG HN 3.50 (# 54:10 Unique 2.38, 2.73 A)
&rst
ixpk= 54, nxpk= 10, iat= 16, 24, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:55 3 ARG HN 4.50 (# 55:10 Single Ambig)
&rst
ixpk= 55, nxpk= 10, iat= -1, 24, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 31, 32, 31, 32, 28, 29,
&end
#
# 33 MET HN 32 ALA HN 2.80 (# 56:10 Unique 2.78, 2.83 A)
&rst
ixpk= 56, nxpk= 10, iat= 496, 486, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 LYS HN 32 ALA HN 2.80 (# 57:10 Unique 2.80, 2.82 A)
&rst
ixpk= 57, nxpk= 10, iat= 464, 486, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 ALA HA 32 ALA HN 2.80 (# 58:10 Unique 2.84, 2.86 A)
&rst
ixpk= 58, nxpk= 10, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:59 32 ALA HN 2.80 (# 59:10 Single Ambig)
&rst
ixpk= 59, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 468, 469, 468, 469,
&end
#
# 32 ALA MB 32 ALA HN 2.80 (# 60:10 Unique 2.39, 2.86 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 490, 491, 492,
&end
#
# 9 TYR HA 10 VAL HN 2.80 (# 61:10 Unique 2.29, 2.38 A)
&rst
ixpk= 61, nxpk= 10, iat= 128, 147, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 VAL HA 10 VAL HN 3.50 (# 62:10 Unique 2.95, 2.98 A)
&rst
ixpk= 62, nxpk= 10, iat= 149, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 TYR HB- 10 VAL HN 2.80 (# 63:10 Unique 2.11, 2.97 A)
&rst
ixpk= 63, nxpk= 10, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 130, 131,
&end
#
# 9 TYR HB+ 10 VAL HN 2.80 (# 64:10 Unique 2.11, 2.97 A)
&rst
ixpk= 64, nxpk= 10, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 130, 131,
&end
#
# 10 VAL HB 10 VAL HN 3.50 (# 65:10 Unique 2.44, 2.81 A)
&rst
ixpk= 65, nxpk= 10, iat= 151, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:66 10 VAL HN 2.80 (# 66:10 Single Ambig)
&rst
ixpk= 66, nxpk= 10, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 16 THR HA 16 THR HN 2.80 (# 67:10 Unique 2.81, 2.94 A)
&rst
ixpk= 67, nxpk= 10, iat= 228, 226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 GLU HA 16 THR HN 2.80 (# 68:10 Unique 2.07, 2.15 A)
&rst
ixpk= 68, nxpk= 10, iat= 213, 226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 THR HB 16 THR HN 2.80 (# 69:10 Unique 2.24, 2.46 A)
&rst
ixpk= 69, nxpk= 10, iat= 230, 226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:70 16 THR HN 2.80 (# 70:10 Single Ambig)
&rst
ixpk= 70, nxpk= 10, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 215, 216, 215, 216, 151,
&end
#
# 0 AMB 10-2:72 49 GLU HN 2.80 (# 72:10 Single Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 749, 734,
&end
#
# 49 GLU HA 49 GLU HN 3.50 (# 73:10 Unique 2.73, 2.93 A)
&rst
ixpk= 73, nxpk= 10, iat= 768, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:74 49 GLU HN 2.80 (# 74:10 Single Ambig)
&rst
ixpk= 74, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 770, 771, 770, 771,
&end
#
# 31 LYS HN 30 LYS HN 2.80 (# 75:10 Unique 2.88, 2.97 A)
&rst
ixpk= 75, nxpk= 10, iat= 464, 442, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:76 30 LYS HN 2.80 (# 76:10 Single Ambig)
&rst
ixpk= 76, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 444, 399,
&end
#
# 30 LYS HB- 30 LYS HN 2.80 (# 77:10 Unique 2.18, 2.49 A)
&rst
ixpk= 77, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 446, 447,
&end
#
# 30 LYS HB+ 30 LYS HN 2.80 (# 78:10 Unique 2.18, 2.49 A)
&rst
ixpk= 78, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 446, 447,
&end
#
# 29 ILE HB 30 LYS HN 3.50 (# 79:10 Unique 2.43, 2.57 A)
&rst
ixpk= 79, nxpk= 10, iat= 427, 442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 THR MG2 30 LYS HN 3.50 (# 80:10 Unique 2.48, 3.50 A)
&rst
ixpk= 80, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 375, 376, 377,
&end
#
# 9 TYR HD 9 TYR HN 2.80 (# 81:10 Unique 2.91, 3.90 A)
&rst
ixpk= 81, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 134, 143,
&end
#
# 8 SER HA 9 TYR HN 2.80 (# 82:10 Unique 2.25, 2.33 A)
&rst
ixpk= 82, nxpk= 10, iat= 117, 126, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 TYR HA 9 TYR HN 3.50 (# 83:10 Unique 2.92, 2.94 A)
&rst
ixpk= 83, nxpk= 10, iat= 128, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 SER HB- 9 TYR HN 3.50 (# 84:10 Unique 2.25, 3.59 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 119, 120,
&end
#
# 7 TYR HN 6 LYS HN 2.80 (# 85:10 Unique 1.78, 1.83 A)
&rst
ixpk= 85, nxpk= 10, iat= 94, 72, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 LYS HA 6 LYS HN 2.80 (# 86:10 Single Ambig)
&rst
ixpk= 86, nxpk= 10, iat= 74, 72, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ALA HA 6 LYS HN 2.80 (# 87:10 Unique 2.23, 2.34 A)
&rst
ixpk= 87, nxpk= 10, iat= 64, 72, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 LYS HB- 6 LYS HN 2.80 (# 88:10 Unique 2.67, 3.22 A)
&rst
ixpk= 88, nxpk= 10, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 76, 77,
&end
#
# 5 ALA MB 6 LYS HN 2.80 (# 89:10 Unique 2.45, 3.38 A)
&rst
ixpk= 89, nxpk= 10, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 66, 67, 68,
&end
#
# 0 AMB 10-2:91 42 ASP HN 4.50 (# 91:10 Single Ambig)
&rst
ixpk= 91, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 589, 606,
&end
#
# 41 GLU HN 42 ASP HN 2.80 (# 92:10 Unique 2.87, 2.94 A)
&rst
ixpk= 92, nxpk= 10, iat= 625, 640, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 PHE HN 42 ASP HN 2.80 (# 93:10 Unique 2.39, 2.56 A)
&rst
ixpk= 93, nxpk= 10, iat= 652, 640, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 ASP HA 42 ASP HN 2.80 (# 94:10 Unique 2.89, 2.91 A)
&rst
ixpk= 94, nxpk= 10, iat= 642, 640, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:95 42 ASP HN 3.50 (# 95:10 Single Ambig)
&rst
ixpk= 95, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 627, 608,
&end
#
# 42 ASP HB- 42 ASP HN 2.80 (# 96:10 Unique 2.38, 2.70 A)
&rst
ixpk= 96, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 644, 645,
&end
#
# 42 ASP HB+ 42 ASP HN 2.80 (# 97:10 Unique 2.38, 2.70 A)
&rst
ixpk= 97, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 644, 645,
&end
#
# 0 AMB 10-2:98 42 ASP HN 3.50 (# 98:10 Single Ambig)
&rst
ixpk= 98, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 629, 630, 629, 630, 571, 572,
&end
#
# 39 GLN HB+ 42 ASP HN 4.50 (# 99:10 Unique 3.66, 4.33 A)
&rst
ixpk= 99, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 593, 594,
&end
#
# 39 GLN HA 39 GLN HN 3.50 (# 100:10 Unique 2.97, 2.99 A)
&rst
ixpk= 100, nxpk= 10, iat= 591, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LYS HA 39 GLN HN 2.80 (# 101:10 Unique 2.33, 2.41 A)
&rst
ixpk= 101, nxpk= 10, iat= 569, 589, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:102 39 GLN HN 2.80 (# 102:10 Single Ambig)
&rst
ixpk= 102, nxpk= 10, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 593, 594, 596, 597, 596, 597,
&end
#
# 38 LYS HB- 39 GLN HN 2.80 (# 103:10 Unique 2.17, 2.93 A)
&rst
ixpk= 103, nxpk= 10, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 571, 572,
&end
#
# 39 GLN HB+ 39 GLN HN 2.80 (# 104:10 Unique 2.59, 3.25 A)
&rst
ixpk= 104, nxpk= 10, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 593, 594,
&end
#
# 11 ASP HB- 12 GLU HN 2.80 (# 105:10 Unique 2.36, 3.24 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 167, 168,
&end
#
# 11 ASP HB+ 12 GLU HN 3.50 (# 106:10 Unique 2.36, 3.24 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 167, 168,
&end
#
# 0 AMB 10-2:107 12 GLU HN 3.50 (# 107:10 Single Ambig)
&rst
ixpk= 107, nxpk= 10, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 182, 183, 182, 183,
&end
#
# 12 GLU HA 12 GLU HN 3.50 (# 109:10 Unique 2.82, 2.90 A)
&rst
ixpk= 109, nxpk= 10, iat= 177, 175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 GLU HB- 12 GLU HN 3.50 (# 110:10 Unique 2.28, 3.06 A)
&rst
ixpk= 110, nxpk= 10, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 179, 180,
&end
#
# 12 GLU HB+ 12 GLU HN 2.80 (# 111:10 Unique 2.28, 3.06 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 179, 180,
&end
#
# 6 LYS HN 7 TYR HN 2.80 (# 112:10 Unique 1.78, 1.83 A)
&rst
ixpk= 112, nxpk= 10, iat= 72, 94, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 LYS HA 7 TYR HN 3.50 (# 113:10 Single Ambig)
&rst
ixpk= 113, nxpk= 10, iat= 74, 94, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:114 7 TYR HN 3.50 (# 114:10 Single Ambig)
&rst
ixpk= 114, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 98, 99, 280, 281,
&end
#
# 7 TYR HB+ 7 TYR HN 3.50 (# 115:10 Unique 2.73, 3.37 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 98, 99,
&end
#
# 35 GLU HN 34 GLU HN 2.80 (# 116:10 Unique 2.59, 2.78 A)
&rst
ixpk= 116, nxpk= 10, iat= 528, 513, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 MET HA 34 GLU HN 4.50 (# 117:10 Unique 3.59, 3.60 A)
&rst
ixpk= 117, nxpk= 10, iat= 498, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLU HA 34 GLU HN 2.80 (# 118:10 Unique 2.86, 2.88 A)
&rst
ixpk= 118, nxpk= 10, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 GLU HG- 34 GLU HN 2.80 (# 119:10 Unique 2.23, 3.02 A)
&rst
ixpk= 119, nxpk= 10, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 520, 521,
&end
#
# 34 GLU HG+ 34 GLU HN 2.80 (# 120:10 Unique 2.23, 3.02 A)
&rst
ixpk= 120, nxpk= 10, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 520, 521,
&end
#
# 0 AMB 10-2:121 34 GLU HN 2.80 (# 121:10 Single Ambig)
&rst
ixpk= 121, nxpk= 10, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 517, 518, 500, 501, 500, 501,
&end
#
# 0 AMB 10-2:122 22 GLN HN 3.50 (# 122:10 Single Ambig)
&rst
ixpk= 122, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 328, 329, 328, 329,
&end
#
# 22 GLN HB- 22 GLN HN 4.50 (# 123:10 Unique 2.38, 3.11 A)
&rst
ixpk= 123, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 325, 326,
&end
#
# 22 GLN HA 22 GLN HN 4.50 (# 125:10 Unique 2.89, 2.96 A)
&rst
ixpk= 125, nxpk= 10, iat= 323, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HB+ 22 GLN HN 2.80 (# 126:10 Unique 2.38, 3.11 A)
&rst
ixpk= 126, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 325, 326,
&end
#
# 32 ALA HA 33 MET HN 6.00 (# 127:10 Unique 3.60, 3.61 A)
&rst
ixpk= 127, nxpk= 10, iat= 488, 496, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 MET HG+ 33 MET HN 2.80 (# 128:10 Unique 2.32, 3.01 A)
&rst
ixpk= 128, nxpk= 10, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 503, 504,
&end
#
# 32 ALA HN 33 MET HN 2.80 (# 129:10 Unique 2.78, 2.83 A)
&rst
ixpk= 129, nxpk= 10, iat= 486, 496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 MET HA 33 MET HN 2.80 (# 130:10 Unique 2.86, 2.89 A)
&rst
ixpk= 130, nxpk= 10, iat= 498, 496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 MET HG- 33 MET HN 2.80 (# 131:10 Unique 2.32, 3.01 A)
&rst
ixpk= 131, nxpk= 10, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 503, 504,
&end
#
# 0 AMB 10-2:132 33 MET HN 2.80 (# 132:10 Single Ambig)
&rst
ixpk= 132, nxpk= 10, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 500, 501, 500, 501,
&end
#
# 32 ALA MB 33 MET HN 2.80 (# 133:10 Unique 2.68, 3.54 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 490, 491, 492,
&end
#
# 30 LYS HN 31 LYS HN 2.80 (# 134:10 Unique 2.88, 2.97 A)
&rst
ixpk= 134, nxpk= 10, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 ALA HN 31 LYS HN 2.80 (# 135:10 Unique 2.80, 2.82 A)
&rst
ixpk= 135, nxpk= 10, iat= 486, 464, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 LYS HA 31 LYS HN 2.80 (# 136:10 Unique 2.85, 2.88 A)
&rst
ixpk= 136, nxpk= 10, iat= 466, 464, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:137 31 LYS HN 2.80 (# 137:10 Single Ambig)
&rst
ixpk= 137, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 446, 447, 449, 450,
&end
#
# 0 AMB 10-2:138 31 LYS HN 4.50 (# 138:10 Single Ambig)
&rst
ixpk= 138, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 444, 399,
&end
#
# 0 AMB 10-2:139 31 LYS HN 2.80 (# 139:10 Single Ambig)
&rst
ixpk= 139, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 468, 469, 468, 469,
&end
#
# 0 AMB 10-2:140 38 LYS HN 2.80 (# 140:10 Single Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 498, 569,
&end
#
# 0 AMB 10-2:141 38 LYS HN 3.50 (# 141:10 Single Ambig)
&rst
ixpk= 141, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 562, 563, 562, 563,
&end
#
# 38 LYS HB- 38 LYS HN 4.50 (# 142:10 Unique 2.26, 3.03 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 571, 572,
&end
#
# 38 LYS HG+ 38 LYS HN 3.50 (# 143:10 Unique 2.21, 3.13 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 574, 575,
&end
#
# 38 LYS HG- 38 LYS HN 2.80 (# 144:10 Unique 2.21, 3.13 A)
&rst
ixpk= 144, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 574, 575,
&end
#
# 37 GLY HN 38 LYS HN 2.80 (# 145:10 Unique 2.72, 2.82 A)
&rst
ixpk= 145, nxpk= 10, iat= 560, 567, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 ASP HN 43 PHE HN 2.80 (# 146:10 Unique 2.39, 2.56 A)
&rst
ixpk= 146, nxpk= 10, iat= 640, 652, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 PHE HD 43 PHE HN 2.80 (# 147:10 Unique 2.28, 3.77 A)
&rst
ixpk= 147, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 660, 668,
&end
#
# 44 LEU HN 43 PHE HN 2.80 (# 148:10 Unique 1.89, 2.09 A)
&rst
ixpk= 148, nxpk= 10, iat= 672, 652, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 PHE HB+ 43 PHE HN 2.80 (# 149:10 Unique 2.46, 3.12 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 656, 657,
&end
#
# 13 ASN HA 13 ASN HN 2.80 (# 150:10 Unique 2.85, 2.92 A)
&rst
ixpk= 150, nxpk= 10, iat= 192, 190, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 GLU HA 13 ASN HN 4.50 (# 151:10 Unique 3.47, 3.54 A)
&rst
ixpk= 151, nxpk= 10, iat= 177, 190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:152 13 ASN HN 2.80 (# 152:10 Single Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 194, 195, 194, 195,
&end
#
# 0 AMB 10-2:153 13 ASN HN 4.50 (# 153:10 Single Ambig)
&rst
ixpk= 153, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 182, 183, 182, 183,
&end
#
# 7 TYR HA 8 SER HN 2.80 (# 154:10 Unique 2.28, 2.35 A)
&rst
ixpk= 154, nxpk= 10, iat= 96, 115, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:155 8 SER HN 4.50 (# 155:10 Single Ambig)
&rst
ixpk= 155, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 98, 99, 656, 657,
&end
#
# 35 GLU HA 35 GLU HN 3.50 (# 156:10 Unique 2.95, 2.98 A)
&rst
ixpk= 156, nxpk= 10, iat= 530, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 VAL HA 28 VAL HN 2.80 (# 158:10 Unique 2.87, 2.88 A)
&rst
ixpk= 158, nxpk= 10, iat= 409, 407, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 VAL HB 28 VAL HN 2.80 (# 159:10 Unique 2.49, 2.54 A)
&rst
ixpk= 159, nxpk= 10, iat= 411, 407, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 ALA MB 28 VAL HN 2.80 (# 160:10 Unique 2.61, 3.44 A)
&rst
ixpk= 160, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 401, 402, 403,
&end
#
# 28 VAL MGY 28 VAL HN 2.80 (# 161:10 Unique 2.19, 3.86 A)
&rst
ixpk= 161, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 413, 414, 415, 417, 418, 419,
&end
#
# 28 VAL MGX 28 VAL HN 4.50 (# 162:10 Unique 2.19, 3.86 A)
&rst
ixpk= 162, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 413, 414, 415, 417, 418, 419,
&end
#
# 34 GLU HN 35 GLU HN 2.80 (# 163:10 Unique 2.59, 2.78 A)
&rst
ixpk= 163, nxpk= 10, iat= 513, 528, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 GLN HN 35 GLU HN 2.80 (# 164:10 Unique 2.24, 2.36 A)
&rst
ixpk= 164, nxpk= 10, iat= 543, 528, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:165 35 GLU HN 2.80 (# 165:10 Single Ambig)
&rst
ixpk= 165, nxpk= 10, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 535, 536, 550, 551,
&end
#
# 0 AMB 10-2:166 35 GLU HN 2.80 (# 166:10 Single Ambig)
&rst
ixpk= 166, nxpk= 10, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 535, 536, 520, 521,
&end
#
# 0 AMB 10-2:167 35 GLU HN 2.80 (# 167:10 Single Ambig)
&rst
ixpk= 167, nxpk= 10, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 532, 533, 532, 533, 517, 518,
&end
#
# 19 TRP HD1 19 TRP HE1 2.80 (# 168:10 Unique 2.56, 2.57 A)
&rst
ixpk= 168, nxpk= 10, iat= 284, 286, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 GLU HN 36 GLN HN 2.80 (# 170:10 Unique 2.24, 2.36 A)
&rst
ixpk= 170, nxpk= 10, iat= 528, 543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 GLN HA 36 GLN HN 3.50 (# 171:10 Unique 2.99, 3.00 A)
&rst
ixpk= 171, nxpk= 10, iat= 545, 543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 ALA HA 36 GLN HN 4.50 (# 172:10 Unique 3.06, 3.34 A)
&rst
ixpk= 172, nxpk= 10, iat= 488, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:173 36 GLN HN 2.80 (# 173:10 Single Ambig)
&rst
ixpk= 173, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 547, 548, 550, 551, 535, 536,
&end
#
# 0 AMB 10-2:174 36 GLN HN 2.80 (# 174:10 Single Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 547, 548, 550, 551,
&end
#
# 0 AMB 10-2:175 36 GLN HN 2.80 (# 175:10 Single Ambig)
&rst
ixpk= 175, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 532, 533, 532, 533,
&end
#
# 0 AMB 10-2:177 13 ASN HD2- 2.80 (# 177:10 Single Ambig)
&rst
ixpk= 177, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 194, 195, 194, 195,
igr2= 199, 200,
&end
#
# 42 ASP HN 41 GLU HN 3.50 (# 178:10 Unique 2.87, 2.94 A)
&rst
ixpk= 178, nxpk= 10, iat= 640, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:179 41 GLU HN 2.80 (# 179:10 Single Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 627, 608,
&end
#
# 0 AMB 10-2:180 41 GLU HN 2.80 (# 180:10 Single Ambig)
&rst
ixpk= 180, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 632, 633, 593, 594,
&end
#
# 41 GLU HG- 41 GLU HN 4.50 (# 181:10 Unique 2.16, 3.37 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 632, 633,
&end
#
# 0 AMB 10-2:182 41 GLU HN 2.80 (# 182:10 Single Ambig)
&rst
ixpk= 182, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 629, 630, 629, 630,
&end
#
# 39 GLN HB+ 41 GLU HN 4.50 (# 183:10 Unique 2.99, 3.34 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 593, 594,
&end
#
# 0 AMB 10-2:184 41 GLU HN 2.80 (# 184:10 Single Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 610, 611, 676, 677,
&end
#
# 0 AMB 10-2:185 0 AMB 10-1:185 2.80 (# 185:10 Double Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 194, 195, 194, 195,
igr2= 199, 200, 199, 200,
&end
#
# 0 AMB 10-2:188 0 AMB 10-1:188 3.50 (# 188:10 Double Ambig)
&rst
ixpk= 188, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 596, 597, 596, 597,
igr2= 601, 602, 601, 602,
&end
#
# 22 GLN HA 23 GLY HN 2.80 (# 196:10 Unique 2.26, 2.33 A)
&rst
ixpk= 196, nxpk= 10, iat= 323, 338, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 GLY HA+ 23 GLY HN 2.80 (# 197:10 Unique 2.31, 2.61 A)
&rst
ixpk= 197, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 340, 341,
&end
#
# 16 THR HA 17 LYS HN 4.50 (# 200:10 Unique 3.47, 3.51 A)
&rst
ixpk= 200, nxpk= 10, iat= 228, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 PRO HA 27 ALA HN 2.80 (# 202:10 Unique 2.24, 2.26 A)
&rst
ixpk= 202, nxpk= 10, iat= 393, 397, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 ALA MB 27 ALA HN 2.80 (# 203:10 Unique 2.37, 2.84 A)
&rst
ixpk= 203, nxpk= 10, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 401, 402, 403,
&end
#
# 14 GLY HA- 14 GLY HN 2.80 (# 204:10 Unique 2.35, 2.75 A)
&rst
ixpk= 204, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 206, 207,
&end
#
# 0 AMB 10-2:205 14 GLY HN 3.50 (# 205:10 Single Ambig)
&rst
ixpk= 205, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 14 GLY HA+ 14 GLY HN 2.80 (# 206:10 Unique 2.35, 2.75 A)
&rst
ixpk= 206, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 206, 207,
&end
#
# 0 AMB 10-2:207 14 GLY HN 6.00 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 194, 195, 194, 195,
&end
#
# 10 VAL HA 11 ASP HN 2.80 (# 209:10 Unique 2.16, 2.25 A)
&rst
ixpk= 209, nxpk= 10, iat= 149, 163, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 ASP HB- 11 ASP HN 2.80 (# 210:10 Unique 2.46, 3.03 A)
&rst
ixpk= 210, nxpk= 10, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 167, 168,
&end
#
# 11 ASP HB+ 11 ASP HN 2.80 (# 211:10 Unique 2.46, 3.03 A)
&rst
ixpk= 211, nxpk= 10, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 167, 168,
&end
#
# 0 AMB 10-2:212 11 ASP HN 2.80 (# 212:10 Single Ambig)
&rst
ixpk= 212, nxpk= 10, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 0 AMB 10-2:213 46 LYS HN 4.50 (# 213:10 Single Ambig)
&rst
ixpk= 213, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 697, 698, 699, 756, 757, 758, 760, 761, 762,
&end
#
# 0 AMB 10-2:214 46 LYS HN 3.50 (# 214:10 Single Ambig)
&rst
ixpk= 214, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 74, 712, 674,
&end
#
# 45 ILE HA 46 LYS HN 4.50 (# 215:10 Unique 3.43, 3.56 A)
&rst
ixpk= 215, nxpk= 10, iat= 693, 710, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:216 46 LYS HN 2.80 (# 216:10 Single Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 714, 715, 676, 677,
&end
#
# 0 AMB 10-2:217 46 LYS HN 4.50 (# 217:10 Single Ambig)
&rst
ixpk= 217, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 701, 702, 76, 77,
&end
#
# 36 GLN HN 37 GLY HN 2.80 (# 218:10 Unique 2.03, 2.12 A)
&rst
ixpk= 218, nxpk= 10, iat= 543, 560, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 LYS HN 37 GLY HN 2.80 (# 219:10 Unique 2.72, 2.82 A)
&rst
ixpk= 219, nxpk= 10, iat= 567, 560, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 GLN HA 37 GLY HN 4.50 (# 220:10 Unique 3.22, 3.30 A)
&rst
ixpk= 220, nxpk= 10, iat= 545, 560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:221 37 GLY HN 2.80 (# 221:10 Single Ambig)
&rst
ixpk= 221, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 562, 563, 562, 563,
&end
#
# 17 LYS HA 18 THR HN 2.80 (# 222:10 Unique 2.29, 2.35 A)
&rst
ixpk= 222, nxpk= 10, iat= 242, 262, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 LYS HB- 18 THR HN 2.80 (# 223:10 Unique 1.99, 3.10 A)
&rst
ixpk= 223, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 244, 245,
&end
#
# 0 AMB 10-2:224 18 THR HN 2.80 (# 224:10 Single Ambig)
&rst
ixpk= 224, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 247, 248, 268, 269, 270,
&end
#
# 17 LYS HB+ 18 THR HN 4.50 (# 225:10 Unique 1.99, 3.10 A)
&rst
ixpk= 225, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 244, 245,
&end
#
# 29 ILE HN 30 LYS HN 2.80 (# 231:10 Unique 2.60, 2.69 A)
&rst
ixpk= 231, nxpk= 10, iat= 423, 442, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 1 ALA HA 2 ALA HN 6.00 (# 232:10 Unique 2.30, 2.34 A)
&rst
ixpk= 232, nxpk= 10, iat= 6, 14, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:233 2 ALA HN 6.00 (# 233:10 Single Ambig)
&rst
ixpk= 233, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 18, 19, 20, 8, 9, 10,
&end
#
# 3 ARG HA 3 ARG HN 8.00 (# 234:10 Unique 2.33, 2.90 A)
&rst
ixpk= 234, nxpk= 10, iat= 26, 24, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 18 THR HB 5 ALA HN 8.00 (# 241:10 Unique 5.15, 5.58 A)
&rst
ixpk= 241, nxpk= 10, iat= 266, 62, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 4 PRO HB- 5 ALA HN 6.00 (# 244:10 Unique 2.52, 3.21 A)
&rst
ixpk= 244, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 55, 56,
&end
#
# 0 AMB 10-2:245 5 ALA HN 8.00 (# 245:10 Single Ambig)
&rst
ixpk= 245, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 52, 53, 52, 53,
&end
#
# 6 LYS HG+ 6 LYS HN 6.00 (# 252:10 Unique 2.59, 4.23 A)
&rst
ixpk= 252, nxpk= 10, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 79, 80,
&end
#
# 6 LYS HG- 6 LYS HN 6.00 (# 253:10 Unique 2.59, 4.23 A)
&rst
ixpk= 253, nxpk= 10, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 79, 80,
&end
#
# 19 TRP HN 7 TYR HN 4.50 (# 255:10 Unique 2.88, 2.95 A)
&rst
ixpk= 255, nxpk= 10, iat= 276, 94, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 ILE HN 7 TYR HN 8.00 (# 256:10 Unique 4.47, 4.65 A)
&rst
ixpk= 256, nxpk= 10, iat= 691, 94, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 7 TYR HD 7 TYR HN 4.50 (# 257:10 Unique 2.83, 4.16 A)
&rst
ixpk= 257, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 102, 111,
&end
#
# 7 TYR HA 7 TYR HN 4.50 (# 258:10 Unique 2.96, 2.97 A)
&rst
ixpk= 258, nxpk= 10, iat= 96, 94, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ALA HA 7 TYR HN 8.00 (# 259:10 Unique 3.72, 3.83 A)
&rst
ixpk= 259, nxpk= 10, iat= 64, 94, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 5 ALA MB 7 TYR HN 6.00 (# 260:10 Unique 2.43, 3.73 A)
&rst
ixpk= 260, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 66, 67, 68,
&end
#
# 0 AMB 10-2:261 7 TYR HN 4.50 (# 261:10 Single Ambig)
&rst
ixpk= 261, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 76, 77, 76, 77,
&end
#
# 6 LYS HG+ 7 TYR HN 6.00 (# 262:10 Unique 3.49, 4.59 A)
&rst
ixpk= 262, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 79, 80,
&end
#
# 0 AMB 10-2:263 7 TYR HN 8.00 (# 263:10 Single Ambig)
&rst
ixpk= 263, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 79, 80, 697, 698, 699,
&end
#
# 45 ILE MD1 7 TYR HN 6.00 (# 264:10 Unique 2.85, 4.36 A)
&rst
ixpk= 264, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 704, 705, 706,
&end
#
# 8 SER HA 8 SER HN 6.00 (# 266:10 Unique 2.92, 2.95 A)
&rst
ixpk= 266, nxpk= 10, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 PHE HB- 8 SER HN 6.00 (# 267:10 Unique 2.53, 3.51 A)
&rst
ixpk= 267, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 656, 657,
&end
#
# 8 SER HB+ 8 SER HN 6.00 (# 268:10 Unique 2.75, 3.34 A)
&rst
ixpk= 268, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 7 TYR HB+ 8 SER HN 6.00 (# 269:10 Unique 2.49, 3.22 A)
&rst
ixpk= 269, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 98, 99,
&end
#
# 45 ILE HG1- 8 SER HN 8.00 (# 270:10 Unique 3.34, 4.13 A)
&rst
ixpk= 270, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 701, 702,
&end
#
# 17 LYS HN 9 TYR HN 3.50 (# 271:10 Unique 2.86, 2.99 A)
&rst
ixpk= 271, nxpk= 10, iat= 240, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 THR HA 9 TYR HN 4.50 (# 273:10 Unique 3.49, 3.64 A)
&rst
ixpk= 273, nxpk= 10, iat= 264, 126, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 THR HA 9 TYR HN 8.00 (# 275:10 Unique 6.20, 6.31 A)
&rst
ixpk= 275, nxpk= 10, iat= 228, 126, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 9 TYR HB+ 9 TYR HN 6.00 (# 276:10 Unique 3.29, 3.69 A)
&rst
ixpk= 276, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 130, 131,
&end
#
# 9 TYR HB- 9 TYR HN 6.00 (# 277:10 Unique 3.29, 3.69 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 130, 131,
&end
#
# 16 THR MG2 9 TYR HN 6.00 (# 278:10 Unique 4.60, 6.31 A)
&rst
ixpk= 278, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 232, 233, 234,
&end
#
# 0 AMB 10-2:279 9 TYR HN 8.00 (# 279:10 Single Ambig)
&rst
ixpk= 279, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1= 268, 269, 270, 247, 248, 387, 388,
&end
#
# 9 TYR HD 10 VAL HN 4.50 (# 281:10 Unique 2.85, 4.30 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 134, 143,
&end
#
# 12 GLU HN 11 ASP HN 6.00 (# 282:10 Unique 2.09, 3.43 A)
&rst
ixpk= 282, nxpk= 10, iat= 175, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLY HN 11 ASP HN 6.00 (# 286:10 Unique 2.99, 3.38 A)
&rst
ixpk= 286, nxpk= 10, iat= 204, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 VAL HN 11 ASP HN 8.00 (# 287:10 Unique 4.32, 4.42 A)
&rst
ixpk= 287, nxpk= 10, iat= 147, 163, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 10 VAL HB 11 ASP HN 6.00 (# 289:10 Unique 2.28, 3.71 A)
&rst
ixpk= 289, nxpk= 10, iat= 151, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 ASN HN 12 GLU HN 4.50 (# 293:10 Unique 1.97, 2.54 A)
&rst
ixpk= 293, nxpk= 10, iat= 190, 175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL MGY 12 GLU HN 6.00 (# 294:10 Unique 5.75, 7.79 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 413, 414, 415, 417, 418, 419,
&end
#
# 12 GLU HN 13 ASN HN 4.50 (# 295:10 Unique 1.97, 2.54 A)
&rst
ixpk= 295, nxpk= 10, iat= 175, 190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASN HD2+ 13 ASN HN 6.00 (# 300:10 Unique 2.63, 4.74 A)
&rst
ixpk= 300, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 199, 200,
&end
#
# 14 GLY HA+ 13 ASN HN 6.00 (# 302:10 Unique 4.69, 5.18 A)
&rst
ixpk= 302, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 206, 207,
&end
#
# 11 ASP HB- 13 ASN HN 6.00 (# 303:10 Unique 2.61, 4.30 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 167, 168,
&end
#
# 11 ASP HB+ 13 ASN HN 6.00 (# 305:10 Unique 2.61, 4.30 A)
&rst
ixpk= 305, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 167, 168,
&end
#
# 12 GLU HB+ 13 ASN HN 4.50 (# 306:10 Unique 2.35, 3.35 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 179, 180,
&end
#
# 12 GLU HB- 13 ASN HN 6.00 (# 307:10 Unique 2.35, 3.35 A)
&rst
ixpk= 307, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 179, 180,
&end
#
# 0 AMB 10-2:308 14 GLY HN 6.00 (# 308:10 Single Ambig)
&rst
ixpk= 308, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 179, 180, 215, 216, 215, 216,
&end
#
# 0 AMB 10-2:309 14 GLY HN 8.00 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 179, 180, 218, 219,
&end
#
# 12 GLU HA 14 GLY HN 4.50 (# 310:10 Unique 3.60, 4.03 A)
&rst
ixpk= 310, nxpk= 10, iat= 177, 204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 GLU HA 14 GLY HN 8.00 (# 311:10 Unique 5.13, 5.44 A)
&rst
ixpk= 311, nxpk= 10, iat= 213, 204, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 13 ASN HA 14 GLY HN 4.50 (# 313:10 Unique 2.92, 3.37 A)
&rst
ixpk= 313, nxpk= 10, iat= 192, 204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 ASP HN 14 GLY HN 6.00 (# 317:10 Unique 2.99, 3.38 A)
&rst
ixpk= 317, nxpk= 10, iat= 163, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 THR HN 15 GLU HN 8.00 (# 319:10 Unique 4.25, 4.48 A)
&rst
ixpk= 319, nxpk= 10, iat= 226, 211, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 14 GLY HA- 15 GLU HN 3.50 (# 322:10 Unique 2.22, 2.63 A)
&rst
ixpk= 322, nxpk= 10, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 206, 207,
&end
#
# 11 ASP HN 16 THR HN 8.00 (# 325:10 Unique 3.34, 4.01 A)
&rst
ixpk= 325, nxpk= 10, iat= 163, 226, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 15 GLU HG+ 16 THR HN 6.00 (# 333:10 Unique 3.51, 4.82 A)
&rst
ixpk= 333, nxpk= 10, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 218, 219,
&end
#
# 15 GLU HG- 16 THR HN 6.00 (# 334:10 Unique 3.51, 4.82 A)
&rst
ixpk= 334, nxpk= 10, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 218, 219,
&end
#
# 16 THR MG2 16 THR HN 4.50 (# 335:10 Unique 2.40, 4.48 A)
&rst
ixpk= 335, nxpk= 10, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 232, 233, 234,
&end
#
# 0 AMB 10-2:336 16 THR HN 6.00 (# 336:10 Single Ambig)
&rst
ixpk= 336, nxpk= 10, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 9 TYR HN 17 LYS HN 3.50 (# 338:10 Unique 2.86, 2.99 A)
&rst
ixpk= 338, nxpk= 10, iat= 126, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 LYS HA 17 LYS HN 4.50 (# 339:10 Unique 2.81, 2.96 A)
&rst
ixpk= 339, nxpk= 10, iat= 242, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 THR HB 17 LYS HN 6.00 (# 340:10 Unique 2.11, 2.58 A)
&rst
ixpk= 340, nxpk= 10, iat= 230, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 LYS HB- 17 LYS HN 4.50 (# 341:10 Unique 2.78, 3.40 A)
&rst
ixpk= 341, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 244, 245,
&end
#
# 17 LYS HG+ 17 LYS HN 6.00 (# 342:10 Unique 3.18, 4.16 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 247, 248,
&end
#
# 0 AMB 10-2:343 17 LYS HN 4.50 (# 343:10 Single Ambig)
&rst
ixpk= 343, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 247, 248, 268, 269, 270,
&end
#
# 16 THR MG2 17 LYS HN 2.80 (# 344:10 Unique 2.73, 3.92 A)
&rst
ixpk= 344, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 232, 233, 234,
&end
#
# 0 AMB 10-2:345 17 LYS HN 6.00 (# 345:10 Single Ambig)
&rst
ixpk= 345, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 153, 154, 155, 157, 158, 159, 153, 154, 155, 157,
158, 159,
&end
#
# 17 LYS HB+ 17 LYS HN 3.50 (# 346:10 Unique 2.78, 3.40 A)
&rst
ixpk= 346, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 244, 245,
&end
#
# 19 TRP HN 18 THR HN 8.00 (# 347:10 Unique 4.47, 4.52 A)
&rst
ixpk= 347, nxpk= 10, iat= 276, 262, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 18 THR HA 18 THR HN 4.50 (# 348:10 Unique 2.97, 2.98 A)
&rst
ixpk= 348, nxpk= 10, iat= 264, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 THR HB 18 THR HN 8.00 (# 350:10 Unique 3.61, 3.76 A)
&rst
ixpk= 350, nxpk= 10, iat= 266, 262, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 17 LYS HG+ 18 THR HN 8.00 (# 352:10 Unique 2.38, 4.33 A)
&rst
ixpk= 352, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 247, 248,
&end
#
# 7 TYR HN 19 TRP HN 6.00 (# 353:10 Single Ambig)
&rst
ixpk= 353, nxpk= 10, iat= 94, 276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:354 19 TRP HN 6.00 (# 354:10 Single Ambig)
&rst
ixpk= 354, nxpk= 10, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 278, 117,
&end
#
# 19 TRP HB- 19 TRP HN 6.00 (# 355:10 Unique 2.69, 3.05 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 280, 281,
&end
#
# 0 AMB 10-2:356 19 TRP HN 6.00 (# 356:10 Single Ambig)
&rst
ixpk= 356, nxpk= 10, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 268, 269, 270, 387, 388, 79, 80,
&end
#
# 19 TRP HE1 22 GLN HN 4.50 (# 357:10 Unique 2.60, 2.99 A)
&rst
ixpk= 357, nxpk= 10, iat= 286, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:360 22 GLN HN 6.00 (# 360:10 Single Ambig)
&rst
ixpk= 360, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 304, 302,
&end
#
# 21 GLY HA- 22 GLN HN 4.50 (# 361:10 Unique 3.09, 3.34 A)
&rst
ixpk= 361, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 316, 317,
&end
#
# 22 GLN HB+ 23 GLY HN 6.00 (# 362:10 Unique 2.23, 3.27 A)
&rst
ixpk= 362, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 325, 326,
&end
#
# 22 GLN HB- 23 GLY HN 6.00 (# 363:10 Unique 2.23, 3.27 A)
&rst
ixpk= 363, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 325, 326,
&end
#
# 0 AMB 10-2:364 23 GLY HN 6.00 (# 364:10 Single Ambig)
&rst
ixpk= 364, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 328, 329, 328, 329,
&end
#
# 23 GLY HA- 23 GLY HN 4.50 (# 365:10 Unique 2.31, 2.61 A)
&rst
ixpk= 365, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 340, 341,
&end
#
# 0 AMB 10-2:367 24 ARG HN 8.00 (# 367:10 Single Ambig)
&rst
ixpk= 367, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 355, 356, 355, 356,
&end
#
# 25 THR MG2 25 THR HN 4.50 (# 375:10 Unique 4.34, 4.52 A)
&rst
ixpk= 375, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 375, 376, 377,
&end
#
# 0 AMB 10-2:376 25 THR HN 8.00 (# 376:10 Single Ambig)
&rst
ixpk= 376, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 355, 356, 355, 356,
&end
#
# 28 VAL HN 27 ALA HN 6.00 (# 384:10 Unique 2.96, 3.09 A)
&rst
ixpk= 384, nxpk= 10, iat= 407, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ALA HA 27 ALA HN 4.50 (# 385:10 Unique 2.71, 2.76 A)
&rst
ixpk= 385, nxpk= 10, iat= 399, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 PRO HB- 27 ALA HN 6.00 (# 386:10 Unique 3.06, 3.49 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 390, 391,
&end
#
# 26 PRO HB+ 28 VAL HN 6.00 (# 387:10 Unique 3.50, 3.91 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 390, 391,
&end
#
# 0 AMB 10-2:388 28 VAL HN 6.00 (# 388:10 Single Ambig)
&rst
ixpk= 388, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 387, 388, 427,
&end
#
# 0 AMB 10-2:389 28 VAL HN 8.00 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 446, 447, 474, 475, 474, 475, 490, 491, 492,
&end
#
# 26 PRO HB- 28 VAL HN 8.00 (# 390:10 Unique 3.50, 3.91 A)
&rst
ixpk= 390, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 390, 391,
&end
#
# 27 ALA HA 28 VAL HN 4.50 (# 391:10 Unique 3.59, 3.61 A)
&rst
ixpk= 391, nxpk= 10, iat= 399, 407, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ILE HN 28 VAL HN 3.50 (# 393:10 Unique 2.71, 2.76 A)
&rst
ixpk= 393, nxpk= 10, iat= 423, 407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LYS HN 28 VAL HN 6.00 (# 395:10 Unique 4.22, 4.31 A)
&rst
ixpk= 395, nxpk= 10, iat= 442, 407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ALA HN 28 VAL HN 6.00 (# 400:10 Unique 2.96, 3.09 A)
&rst
ixpk= 400, nxpk= 10, iat= 397, 407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ILE MD1 29 ILE HN 6.00 (# 401:10 Unique 3.64, 4.49 A)
&rst
ixpk= 401, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 436, 437, 438,
&end
#
# 29 ILE HG1- 29 ILE HN 6.00 (# 402:10 Unique 2.17, 2.86 A)
&rst
ixpk= 402, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 433, 434,
&end
#
# 0 AMB 10-2:403 29 ILE HN 4.50 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 427, 387, 388,
&end
#
# 28 VAL HB 29 ILE HN 8.00 (# 404:10 Unique 2.65, 3.15 A)
&rst
ixpk= 404, nxpk= 10, iat= 411, 423, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 29 ILE HA 29 ILE HN 6.00 (# 405:10 Unique 2.87, 2.90 A)
&rst
ixpk= 405, nxpk= 10, iat= 425, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HN 29 ILE HN 4.50 (# 406:10 Unique 2.60, 2.69 A)
&rst
ixpk= 406, nxpk= 10, iat= 442, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 VAL HN 29 ILE HN 6.00 (# 407:10 Unique 2.71, 2.76 A)
&rst
ixpk= 407, nxpk= 10, iat= 407, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ILE MG2 30 LYS HN 6.00 (# 408:10 Unique 3.42, 4.25 A)
&rst
ixpk= 408, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 429, 430, 431,
&end
#
# 29 ILE HA 30 LYS HN 6.00 (# 409:10 Unique 3.58, 3.59 A)
&rst
ixpk= 409, nxpk= 10, iat= 425, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 ALA HN 30 LYS HN 6.00 (# 410:10 Unique 4.28, 4.37 A)
&rst
ixpk= 410, nxpk= 10, iat= 486, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:414 30 LYS HN 8.00 (# 414:10 Single Ambig)
&rst
ixpk= 414, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 407, 496,
&end
#
# 0 AMB 10-2:415 31 LYS HN 4.50 (# 415:10 Single Ambig)
&rst
ixpk= 415, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 471, 472, 471, 472,
&end
#
# 28 VAL HA 31 LYS HN 6.00 (# 416:10 Unique 3.26, 3.44 A)
&rst
ixpk= 416, nxpk= 10, iat= 409, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:420 32 ALA HN 8.00 (# 420:10 Single Ambig)
&rst
ixpk= 420, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 442, 555, 556,
&end
#
# 31 LYS HA 32 ALA HN 4.50 (# 422:10 Unique 3.54, 3.57 A)
&rst
ixpk= 422, nxpk= 10, iat= 466, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:423 32 ALA HN 8.00 (# 423:10 Single Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 444, 399,
&end
#
# 29 ILE HA 32 ALA HN 6.00 (# 424:10 Unique 3.26, 3.59 A)
&rst
ixpk= 424, nxpk= 10, iat= 425, 486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:427 32 ALA HN 8.00 (# 427:10 Single Ambig)
&rst
ixpk= 427, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 500, 501, 500, 501, 517, 518,
&end
#
# 0 AMB 10-2:428 32 ALA HN 6.00 (# 428:10 Single Ambig)
&rst
ixpk= 428, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 471, 472, 471, 472, 571, 572,
&end
#
# 0 AMB 10-2:429 32 ALA HN 8.00 (# 429:10 Single Ambig)
&rst
ixpk= 429, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1= 577, 578, 577, 578, 411, 574, 575,
&end
#
# 34 GLU HN 33 MET HN 3.50 (# 430:10 Unique 2.63, 2.77 A)
&rst
ixpk= 430, nxpk= 10, iat= 513, 496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LYS HA 33 MET HN 6.00 (# 432:10 Unique 3.47, 3.61 A)
&rst
ixpk= 432, nxpk= 10, iat= 444, 496, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:433 33 MET HN 8.00 (# 433:10 Single Ambig)
&rst
ixpk= 433, nxpk= 10, iat= -1, 496, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 571, 572, 471, 472,
&end
#
# 29 ILE MG2 33 MET HN 6.00 (# 434:10 Unique 4.41, 5.29 A)
&rst
ixpk= 434, nxpk= 10, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 429, 430, 431,
&end
#
# 0 AMB 10-2:438 34 GLU HN 6.00 (# 438:10 Single Ambig)
&rst
ixpk= 438, nxpk= 10, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 543, 486,
&end
#
# 30 LYS HA 34 GLU HN 6.00 (# 439:10 Unique 3.99, 4.16 A)
&rst
ixpk= 439, nxpk= 10, iat= 444, 513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 MET HG- 34 GLU HN 4.50 (# 440:10 Unique 4.42, 4.77 A)
&rst
ixpk= 440, nxpk= 10, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 503, 504,
&end
#
# 0 AMB 10-2:441 34 GLU HN 6.00 (# 441:10 Single Ambig)
&rst
ixpk= 441, nxpk= 10, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 474, 475, 474, 475, 490, 491, 492, 446, 447,
&end
#
# 37 GLY HN 35 GLU HN 6.00 (# 444:10 Unique 3.71, 3.83 A)
&rst
ixpk= 444, nxpk= 10, iat= 560, 528, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 ALA HA 35 GLU HN 6.00 (# 445:10 Unique 3.44, 3.77 A)
&rst
ixpk= 445, nxpk= 10, iat= 488, 528, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLU HN 36 GLN HN 8.00 (# 447:10 Unique 3.99, 4.22 A)
&rst
ixpk= 447, nxpk= 10, iat= 513, 543, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 37 GLY HN 36 GLN HN 2.80 (# 448:10 Unique 2.03, 2.12 A)
&rst
ixpk= 448, nxpk= 10, iat= 560, 543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:450 36 GLN HN 4.50 (# 450:10 Single Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 530, 498,
&end
#
# 0 AMB 10-2:451 36 GLN HN 6.00 (# 451:10 Single Ambig)
&rst
ixpk= 451, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 562, 563, 562, 563,
&end
#
# 0 AMB 10-2:452 37 GLY HN 6.00 (# 452:10 Single Ambig)
&rst
ixpk= 452, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 547, 548, 550, 551,
&end
#
# 0 AMB 10-2:453 37 GLY HN 6.00 (# 453:10 Single Ambig)
&rst
ixpk= 453, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 547, 548, 550, 551, 535, 536,
&end
#
# 34 GLU HA 37 GLY HN 8.00 (# 455:10 Unique 4.15, 4.53 A)
&rst
ixpk= 455, nxpk= 10, iat= 515, 560, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:456 37 GLY HN 6.00 (# 456:10 Single Ambig)
&rst
ixpk= 456, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 498, 530, 569,
&end
#
# 35 GLU HN 37 GLY HN 6.00 (# 460:10 Unique 3.71, 3.83 A)
&rst
ixpk= 460, nxpk= 10, iat= 528, 560, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 GLN HN 38 LYS HN 8.00 (# 461:10 Unique 4.59, 4.63 A)
&rst
ixpk= 461, nxpk= 10, iat= 589, 567, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:470 38 LYS HN 6.00 (# 470:10 Single Ambig)
&rst
ixpk= 470, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 547, 548, 503, 504,
&end
#
# 0 AMB 10-2:471 38 LYS HN 6.00 (# 471:10 Single Ambig)
&rst
ixpk= 471, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 547, 548, 550, 551,
&end
#
# 32 ALA MB 38 LYS HN 8.00 (# 472:10 Unique 3.89, 5.16 A)
&rst
ixpk= 472, nxpk= 10, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 490, 491, 492,
&end
#
# 38 LYS HB+ 39 GLN HN 3.50 (# 473:10 Unique 2.17, 2.93 A)
&rst
ixpk= 473, nxpk= 10, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 571, 572,
&end
#
# 0 AMB 10-2:474 39 GLN HN 4.50 (# 474:10 Single Ambig)
&rst
ixpk= 474, nxpk= 10, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 577, 578, 577, 578, 574, 575,
&end
#
# 42 ASP HB- 39 GLN HN 4.50 (# 475:10 Unique 2.88, 3.59 A)
&rst
ixpk= 475, nxpk= 10, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 644, 645,
&end
#
# 38 LYS HN 39 GLN HN 8.00 (# 476:10 Unique 4.59, 4.63 A)
&rst
ixpk= 476, nxpk= 10, iat= 567, 589, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 42 ASP HN 39 GLN HN 6.00 (# 477:10 Unique 3.27, 3.60 A)
&rst
ixpk= 477, nxpk= 10, iat= 640, 589, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 GLU HN 40 LEU HN 2.80 (# 480:10 Unique 2.67, 2.87 A)
&rst
ixpk= 480, nxpk= 10, iat= 625, 606, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:481 40 LEU HN 6.00 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
620, 621,
&end
#
# 40 LEU MDX 41 GLU HN 8.00 (# 482:10 Unique 4.58, 5.67 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 39 GLN HA 41 GLU HN 6.00 (# 483:10 Unique 4.30, 4.53 A)
&rst
ixpk= 483, nxpk= 10, iat= 591, 625, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 LEU HN 41 GLU HN 2.80 (# 486:10 Unique 2.67, 2.87 A)
&rst
ixpk= 486, nxpk= 10, iat= 606, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:488 42 ASP HN 6.00 (# 488:10 Single Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 676, 677, 610, 611, 679,
&end
#
# 43 PHE HB+ 42 ASP HN 8.00 (# 489:10 Unique 4.42, 5.39 A)
&rst
ixpk= 489, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 656, 657,
&end
#
# 39 GLN HA 42 ASP HN 8.00 (# 490:10 Unique 4.75, 4.97 A)
&rst
ixpk= 490, nxpk= 10, iat= 591, 640, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 44 LEU HN 42 ASP HN 6.00 (# 491:10 Unique 3.84, 3.99 A)
&rst
ixpk= 491, nxpk= 10, iat= 672, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 PHE HD 42 ASP HN 4.50 (# 492:10 Unique 3.23, 5.15 A)
&rst
ixpk= 492, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 660, 668,
&end
#
# 41 GLU HN 43 PHE HN 8.00 (# 497:10 Unique 4.17, 4.30 A)
&rst
ixpk= 497, nxpk= 10, iat= 625, 652, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 43 PHE HE 43 PHE HN 6.00 (# 506:10 Unique 4.24, 5.50 A)
&rst
ixpk= 506, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 662, 666,
&end
#
# 7 TYR HD 43 PHE HN 6.00 (# 507:10 Unique 3.86, 6.17 A)
&rst
ixpk= 507, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 111,
&end
#
# 43 PHE HA 43 PHE HN 4.50 (# 508:10 Unique 2.95, 2.99 A)
&rst
ixpk= 508, nxpk= 10, iat= 654, 652, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ASP HA 43 PHE HN 4.50 (# 509:10 Unique 3.38, 3.43 A)
&rst
ixpk= 509, nxpk= 10, iat= 642, 652, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 PHE HB- 43 PHE HN 4.50 (# 510:10 Unique 2.46, 3.12 A)
&rst
ixpk= 510, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 656, 657,
&end
#
# 0 AMB 10-2:511 43 PHE HN 4.50 (# 511:10 Single Ambig)
&rst
ixpk= 511, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 627, 608,
&end
#
# 42 ASP HB- 43 PHE HN 6.00 (# 512:10 Unique 2.79, 3.67 A)
&rst
ixpk= 512, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 644, 645,
&end
#
# 0 AMB 10-2:513 43 PHE HN 4.50 (# 513:10 Single Ambig)
&rst
ixpk= 513, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 676, 677, 679, 610, 611,
&end
#
# 0 AMB 10-2:514 44 LEU HN 6.00 (# 514:10 Single Ambig)
&rst
ixpk= 514, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687,
&end
#
# 48 LEU MDY 44 LEU HN 4.50 (# 515:10 Unique 3.55, 5.91 A)
&rst
ixpk= 515, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 756, 757, 758, 760, 761, 762,
&end
#
# 41 GLU HG- 44 LEU HN 8.00 (# 516:10 Unique 4.90, 5.49 A)
&rst
ixpk= 516, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 632, 633,
&end
#
# 0 AMB 10-2:517 44 LEU HN 6.00 (# 517:10 Single Ambig)
&rst
ixpk= 517, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 656, 657, 98, 99,
&end
#
# 42 ASP HA 44 LEU HN 6.00 (# 518:10 Unique 4.25, 4.40 A)
&rst
ixpk= 518, nxpk= 10, iat= 642, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 PHE HA 44 LEU HN 4.50 (# 519:10 Unique 3.36, 3.43 A)
&rst
ixpk= 519, nxpk= 10, iat= 654, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TYR HE 44 LEU HN 8.00 (# 520:10 Unique 3.61, 5.85 A)
&rst
ixpk= 520, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 104, 109,
&end
#
# 7 TYR HD 44 LEU HN 4.50 (# 521:10 Unique 3.08, 5.24 A)
&rst
ixpk= 521, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 102, 111,
&end
#
# 43 PHE HD 44 LEU HN 8.00 (# 527:10 Unique 4.00, 5.18 A)
&rst
ixpk= 527, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 660, 668,
&end
#
# 42 ASP HN 44 LEU HN 6.00 (# 528:10 Unique 3.84, 3.99 A)
&rst
ixpk= 528, nxpk= 10, iat= 640, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 ILE HN 44 LEU HN 6.00 (# 529:10 Unique 4.54, 4.61 A)
&rst
ixpk= 529, nxpk= 10, iat= 691, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:530 45 ILE HN 4.50 (# 530:10 Single Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 676, 677, 679,
&end
#
# 7 TYR HA 45 ILE HN 2.80 (# 531:10 Unique 2.81, 3.20 A)
&rst
ixpk= 531, nxpk= 10, iat= 96, 691, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 TYR HD 45 ILE HN 6.00 (# 532:10 Unique 4.14, 5.34 A)
&rst
ixpk= 532, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 111,
&end
#
# 6 LYS HG- 47 GLU HN 6.00 (# 534:10 Unique 2.34, 4.29 A)
&rst
ixpk= 534, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 79, 80,
&end
#
# 0 AMB 10-2:535 47 GLU HN 8.00 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 76, 77, 717, 718, 717, 718,
&end
#
# 0 AMB 10-2:536 47 GLU HN 8.00 (# 536:10 Single Ambig)
&rst
ixpk= 536, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 754, 676, 677, 751, 752,
&end
#
# 46 LYS HB+ 47 GLU HN 4.50 (# 537:10 Unique 2.01, 3.39 A)
&rst
ixpk= 537, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 714, 715,
&end
#
# 47 GLU HG+ 47 GLU HN 4.50 (# 538:10 Unique 2.40, 4.16 A)
&rst
ixpk= 538, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 739, 740,
&end
#
# 0 AMB 10-2:540 48 LEU HN 8.00 (# 540:10 Single Ambig)
&rst
ixpk= 540, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 756, 757, 758, 760, 761, 762, 79, 80,
&end
#
# 0 AMB 10-2:541 48 LEU HN 6.00 (# 541:10 Single Ambig)
&rst
ixpk= 541, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 736, 737, 770, 771, 770, 771,
&end
#
# 47 GLU HB- 48 LEU HN 6.00 (# 542:10 Unique 3.67, 4.12 A)
&rst
ixpk= 542, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 736, 737,
&end
#
# 0 AMB 10-2:547 49 GLU HN 4.50 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 751, 752, 82, 83, 82, 83,
&end
#
# 0 AMB 10-2:548 49 GLU HN 6.00 (# 548:10 Single Ambig)
&rst
ixpk= 548, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 751, 752, 754,
&end
#
# 0 AMB 10-2:549 49 GLU HN 6.00 (# 549:10 Single Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 773, 774, 773, 774,
&end
#
# 34 GLU HN 32 ALA HN 6.00 (# 552:10 Unique 4.19, 4.34 A)
&rst
ixpk= 552, nxpk= 10, iat= 513, 486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 ASP HN 10 VAL HN 8.00 (# 555:10 Unique 4.32, 4.42 A)
&rst
ixpk= 555, nxpk= 10, iat= 163, 147, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 19 TRP HB- 7 TYR HN 8.00 (# 560:10 Unique 4.16, 4.96 A)
&rst
ixpk= 560, nxpk= 10, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 280, 281,
&end
#
# 0 AMB 10-2:561 8 SER HN 6.00 (# 561:10 Single Ambig)
&rst
ixpk= 561, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 674, 266,
&end
#
# 7 TYR HB+ 19 TRP HN 6.00 (# 564:10 Unique 2.84, 3.75 A)
&rst
ixpk= 564, nxpk= 10, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 98, 99,
&end
#
# 26 PRO HG+ 27 ALA HN 8.00 (# 565:10 Unique 4.73, 5.20 A)
&rst
ixpk= 565, nxpk= 10, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 387, 388,
&end
#
# 28 VAL HA 30 LYS HN 8.00 (# 568:10 Unique 4.58, 4.64 A)
&rst
ixpk= 568, nxpk= 10, iat= 409, 442, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 30 LYS HG+ 32 ALA HN 8.00 (# 570:10 Unique 5.25, 5.82 A)
&rst
ixpk= 570, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 449, 450,
&end
#
# 38 LYS HN 33 MET HN 8.00 (# 571:10 Unique 4.43, 4.69 A)
&rst
ixpk= 571, nxpk= 10, iat= 567, 496, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 32 ALA HA 34 GLU HN 8.00 (# 573:10 Unique 4.42, 4.64 A)
&rst
ixpk= 573, nxpk= 10, iat= 488, 513, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 36 GLN HA 35 GLU HN 6.00 (# 574:10 Unique 4.99, 5.12 A)
&rst
ixpk= 574, nxpk= 10, iat= 545, 528, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HE 43 PHE HN 8.00 (# 575:10 Unique 4.20, 6.80 A)
&rst
ixpk= 575, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 104, 109,
&end
#
# 44 LEU HA 43 PHE HN 8.00 (# 576:10 Unique 4.52, 4.69 A)
&rst
ixpk= 576, nxpk= 10, iat= 674, 652, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 42 ASP HB+ 43 PHE HN 6.00 (# 577:10 Unique 2.79, 3.67 A)
&rst
ixpk= 577, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 644, 645,
&end
#
# 0 AMB 10-2:578 43 PHE HN 8.00 (# 578:10 Single Ambig)
&rst
ixpk= 578, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 629, 630, 629, 630, 571, 572,
&end
#
# 0 AMB 10-2:579 43 PHE HN 8.00 (# 579:10 Single Ambig)
&rst
ixpk= 579, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1= 681, 682, 683, 685, 686, 687, 681, 682, 683, 685,
686, 687, 615, 616, 617, 619, 620, 621,
&end
#
# 43 PHE HB- 44 LEU HN 8.00 (# 580:10 Unique 2.96, 3.70 A)
&rst
ixpk= 580, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 656, 657,
&end
#
# 41 GLU HA 45 ILE HN 6.00 (# 581:10 Unique 6.00, 6.07 A)
&rst
ixpk= 581, nxpk= 10, iat= 627, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 ALA MB 45 ILE HN 6.00 (# 582:10 Unique 6.66, 7.47 A)
&rst
ixpk= 582, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 66, 67, 68,
&end
#
# 6 LYS HG+ 45 ILE HN 8.00 (# 583:10 Unique 2.99, 4.29 A)
&rst
ixpk= 583, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 79, 80,
&end
#
# 45 ILE HN 46 LYS HN 8.00 (# 584:10 Unique 2.04, 2.22 A)
&rst
ixpk= 584, nxpk= 10, iat= 691, 710, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:586 46 LYS HN 6.00 (# 586:10 Single Ambig)
&rst
ixpk= 586, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 695, 676, 677,
&end
#
# 45 ILE HG1+ 46 LYS HN 8.00 (# 587:10 Unique 2.44, 3.92 A)
&rst
ixpk= 587, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 701, 702,
&end
#
# 45 ILE MD1 46 LYS HN 8.00 (# 588:10 Unique 4.56, 5.32 A)
&rst
ixpk= 588, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 704, 705, 706,
&end
#
# 36 GLN HA 36 GLN HE2+ 8.00 (# 593:10 Unique 2.36, 4.55 A)
&rst
ixpk= 593, nxpk= 10, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 555, 556,
&end
#
# 0 AMB 10-2:594 0 AMB 10-1:594 6.00 (# 594:10 Double Ambig)
&rst
ixpk= 594, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 550, 551, 547, 548,
igr2= 555, 556, 555, 556,
&end
#
# 0 AMB 10-2:595 0 AMB 10-1:595 6.00 (# 595:10 Double Ambig)
&rst
ixpk= 595, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 550, 551, 547, 548,
igr2= 555, 556, 555, 556,
&end
#
# 0 AMB 10-2:596 0 AMB 10-1:596 8.00 (# 596:10 Double Ambig)
&rst
ixpk= 596, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 532, 533, 532, 533,
igr2= 555, 556, 555, 556,
&end
#
# 13 ASN HA 13 ASN HD2+ 8.00 (# 599:10 Unique 2.61, 4.14 A)
&rst
ixpk= 599, nxpk= 10, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 199, 200,
&end
#
# 47 GLU HA 47 GLU HN 6.00 (# 618:10 Unique 2.30, 2.93 A)
&rst
ixpk= 618, nxpk= 10, iat= 734, 732, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:619 31 LYS HN 3.50 (# 619:10 Single Ambig)
&rst
ixpk= 619, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 474, 475, 474, 475,
&end
#
# 46 LYS HB+ 46 LYS HN 6.00 (# 620:10 Unique 2.33, 2.76 A)
&rst
ixpk= 620, nxpk= 10, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 714, 715,
&end
#
# 46 LYS HB- 47 GLU HN 4.50 (# 622:10 Unique 2.01, 3.39 A)
&rst
ixpk= 622, nxpk= 10, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 714, 715,
&end
#
# 0 AMB 10-2:623 48 LEU HN 3.50 (# 623:10 Single Ambig)
&rst
ixpk= 623, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 751, 752, 82, 83, 82, 83,
&end
#
# 24 ARG HG- 24 ARG HN 6.00 (# 624:10 Unique 2.21, 3.62 A)
&rst
ixpk= 624, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 352, 353,
&end
#
# 24 ARG HG- 25 THR HN 6.00 (# 625:10 Unique 2.94, 4.18 A)
&rst
ixpk= 625, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 352, 353,
&end
#
# 6 LYS HB+ 6 LYS HN 3.50 (# 626:10 Unique 2.67, 3.22 A)
&rst
ixpk= 626, nxpk= 10, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 76, 77,
&end
#
# 31 LYS HA 34 GLU HN 6.00 (# 627:10 Unique 2.96, 3.24 A)
&rst
ixpk= 627, nxpk= 10, iat= 466, 513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 ASN HN 13 ASN HD2+ 6.00 (# 628:10 Unique 2.63, 4.74 A)
&rst
ixpk= 628, nxpk= 10, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 199, 200,
&end
#
# 13 ASN HN 13 ASN HD2- 8.00 (# 629:10 Unique 2.63, 4.74 A)
&rst
ixpk= 629, nxpk= 10, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 199, 200,
&end
#
# 12 GLU HB+ 13 ASN HD2- 8.00 (# 631:10 Unique 4.35, 6.99 A)
&rst
ixpk= 631, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 179, 180,
igr2= 199, 200,
&end
#
# 0 AMB 10-2:632 0 AMB 10-1:632 8.00 (# 632:10 Double Ambig)
&rst
ixpk= 632, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 328, 329, 328, 329,
igr2= 333, 334, 333, 334,
&end
#
# 0 AMB 10-2:634 36 GLN HE2- 8.00 (# 634:10 Single Ambig)
&rst
ixpk= 634, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 550, 551, 547, 548,
igr2= 555, 556,
&end
#
# 0 AMB 10-2:635 36 GLN HE2- 8.00 (# 635:10 Single Ambig)
&rst
ixpk= 635, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 550, 551, 547, 548,
igr2= 555, 556,
&end
#
# 0 AMB 10-2:639 39 GLN HE2- 6.00 (# 639:10 Single Ambig)
&rst
ixpk= 639, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 596, 597, 596, 597,
igr2= 601, 602,
&end
#
# 10 VAL HA 17 LYS HN 4.50 (# 640:10 Unique 3.91, 4.14 A)
&rst
ixpk= 640, nxpk= 10, iat= 149, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 THR MG2 22 GLN HN 8.00 (# 643:10 Unique 4.65, 5.11 A)
&rst
ixpk= 643, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 306, 307, 308,
&end
#
# 19 TRP HZ2 19 TRP HE1 4.50 (# 647:10 Unique 2.85, 2.87 A)
&rst
ixpk= 647, nxpk= 10, iat= 289, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HN 19 TRP HE1 6.00 (# 648:10 Unique 2.60, 2.99 A)
&rst
ixpk= 648, nxpk= 10, iat= 321, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 ALA MB 36 GLN HE2+ 8.00 (# 650:10 Unique 4.52, 7.12 A)
&rst
ixpk= 650, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 490, 491, 492,
igr2= 555, 556,
&end
#
# 26 PRO HB+ 27 ALA HN 8.00 (# 653:10 Unique 3.06, 3.49 A)
&rst
ixpk= 653, nxpk= 10, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 390, 391,
&end
#
# 17 LYS HD+ 18 THR HN 6.00 (# 656:10 Unique 3.36, 4.27 A)
&rst
ixpk= 656, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 250, 251,
&end
#
# 0 AMB 10-2:658 37 GLY HN 6.00 (# 658:10 Single Ambig)
&rst
ixpk= 658, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 532, 533, 532, 533,
&end
#
# 17 LYS HB+ 9 TYR HN 8.00 (# 659:10 Unique 3.76, 4.68 A)
&rst
ixpk= 659, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 244, 245,
&end
#
# 17 LYS HB- 9 TYR HN 8.00 (# 660:10 Unique 3.76, 4.68 A)
&rst
ixpk= 660, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 244, 245,
&end
#
# 17 LYS HA 9 TYR HN 8.00 (# 661:10 Unique 4.70, 4.87 A)
&rst
ixpk= 661, nxpk= 10, iat= 242, 126, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 5 ALA MB 19 TRP HN 8.00 (# 663:10 Unique 2.58, 3.69 A)
&rst
ixpk= 663, nxpk= 10, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 66, 67, 68,
&end
#
# 33 MET HG+ 40 LEU HN 6.00 (# 664:10 Unique 3.70, 5.11 A)
&rst
ixpk= 664, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 503, 504,
&end
#
# 3 ARG HB- 3 ARG HN 8.00 (# 665:10 Unique 2.40, 3.23 A)
&rst
ixpk= 665, nxpk= 10, iat= -1, 24, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 28, 29,
&end
#
# 7 TYR HD 6 LYS HN 8.00 (# 667:10 Unique 2.61, 4.82 A)
&rst
ixpk= 667, nxpk= 10, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 102, 111,
&end
#
# 9 TYR HN 8 SER HN 6.00 (# 672:10 Unique 4.36, 4.42 A)
&rst
ixpk= 672, nxpk= 10, iat= 126, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 ILE HN 8 SER HN 8.00 (# 673:10 Unique 4.49, 5.06 A)
&rst
ixpk= 673, nxpk= 10, iat= 691, 115, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 8 SER HB- 8 SER HN 6.00 (# 674:10 Unique 2.75, 3.34 A)
&rst
ixpk= 674, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 8 SER HB+ 9 TYR HN 4.50 (# 678:10 Unique 2.25, 3.59 A)
&rst
ixpk= 678, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 119, 120,
&end
#
# 43 PHE HD 10 VAL HN 6.00 (# 682:10 Unique 4.19, 6.59 A)
&rst
ixpk= 682, nxpk= 10, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 660, 668,
&end
#
# 9 TYR HE 10 VAL HN 8.00 (# 683:10 Unique 5.18, 6.36 A)
&rst
ixpk= 683, nxpk= 10, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 136, 141,
&end
#
# 11 ASP HN 13 ASN HN 6.00 (# 686:10 Unique 3.26, 4.05 A)
&rst
ixpk= 686, nxpk= 10, iat= 163, 190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLU HB+ 13 ASN HD2+ 6.00 (# 691:10 Unique 4.35, 6.99 A)
&rst
ixpk= 691, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 179, 180,
igr2= 199, 200,
&end
#
# 12 GLU HB- 13 ASN HD2+ 8.00 (# 693:10 Unique 4.35, 6.99 A)
&rst
ixpk= 693, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 179, 180,
igr2= 199, 200,
&end
#
# 18 THR HN 17 LYS HN 6.00 (# 699:10 Unique 4.43, 4.46 A)
&rst
ixpk= 699, nxpk= 10, iat= 262, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 TRP HD1 22 GLN HN 6.00 (# 702:10 Unique 3.95, 4.19 A)
&rst
ixpk= 702, nxpk= 10, iat= 284, 321, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:703 22 GLN HE2- 6.00 (# 703:10 Single Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 328, 329, 328, 329,
igr2= 333, 334,
&end
#
# 24 ARG HN 23 GLY HN 6.00 (# 704:10 Unique 3.78, 4.50 A)
&rst
ixpk= 704, nxpk= 10, iat= 345, 338, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 GLN HN 23 GLY HN 8.00 (# 705:10 Unique 4.47, 4.58 A)
&rst
ixpk= 705, nxpk= 10, iat= 321, 338, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 9 TYR HD 28 VAL HN 6.00 (# 709:10 Unique 4.33, 5.58 A)
&rst
ixpk= 709, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 134, 143,
&end
#
# 29 ILE HG1- 28 VAL HN 8.00 (# 711:10 Unique 4.35, 5.19 A)
&rst
ixpk= 711, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 433, 434,
&end
#
# 29 ILE MD1 28 VAL HN 8.00 (# 712:10 Unique 5.94, 6.74 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 436, 437, 438,
&end
#
# 30 LYS HB- 29 ILE HN 6.00 (# 713:10 Unique 4.33, 4.89 A)
&rst
ixpk= 713, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 446, 447,
&end
#
# 28 VAL MGX 29 ILE HN 6.00 (# 714:10 Unique 2.70, 4.44 A)
&rst
ixpk= 714, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 413, 414, 415, 417, 418, 419,
&end
#
# 28 VAL MGY 29 ILE HN 8.00 (# 715:10 Unique 2.70, 4.44 A)
&rst
ixpk= 715, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 413, 414, 415, 417, 418, 419,
&end
#
# 25 THR MG2 29 ILE HN 8.00 (# 716:10 Unique 4.09, 5.08 A)
&rst
ixpk= 716, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 375, 376, 377,
&end
#
# 26 PRO HB+ 29 ILE HN 6.00 (# 717:10 Unique 2.52, 3.53 A)
&rst
ixpk= 717, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 390, 391,
&end
#
# 29 ILE HG1+ 29 ILE HN 8.00 (# 718:10 Unique 2.17, 2.86 A)
&rst
ixpk= 718, nxpk= 10, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 433, 434,
&end
#
# 30 LYS HG- 30 LYS HN 4.50 (# 719:10 Unique 4.21, 4.42 A)
&rst
ixpk= 719, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 449, 450,
&end
#
# 29 ILE HG1- 30 LYS HN 6.00 (# 720:10 Unique 4.23, 4.62 A)
&rst
ixpk= 720, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 433, 434,
&end
#
# 0 AMB 10-2:722 31 LYS HN 8.00 (# 722:10 Single Ambig)
&rst
ixpk= 722, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 425, 477, 478, 477, 478, 455, 456, 455, 456,
&end
#
# 28 VAL HA 32 ALA HN 8.00 (# 723:10 Unique 3.69, 3.88 A)
&rst
ixpk= 723, nxpk= 10, iat= 409, 486, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 34 GLU HB+ 34 GLU HN 2.80 (# 724:10 Unique 2.36, 3.02 A)
&rst
ixpk= 724, nxpk= 10, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 517, 518,
&end
#
# 38 LYS HG+ 37 GLY HN 6.00 (# 727:10 Unique 4.30, 5.40 A)
&rst
ixpk= 727, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 574, 575,
&end
#
# 43 PHE HD 40 LEU HN 8.00 (# 730:10 Unique 4.39, 6.88 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 660, 668,
&end
#
# 0 AMB 10-2:731 40 LEU HN 2.80 (# 731:10 Single Ambig)
&rst
ixpk= 731, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 610, 611, 613,
&end
#
# 44 LEU HB+ 40 LEU HN 6.00 (# 732:10 Unique 6.22, 7.01 A)
&rst
ixpk= 732, nxpk= 10, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 676, 677,
&end
#
# 48 LEU MDY 41 GLU HN 6.00 (# 733:10 Unique 3.06, 5.93 A)
&rst
ixpk= 733, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 756, 757, 758, 760, 761, 762,
&end
#
# 43 PHE HE 42 ASP HN 6.00 (# 734:10 Unique 4.25, 6.10 A)
&rst
ixpk= 734, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 662, 666,
&end
#
# 38 LYS HG+ 42 ASP HN 6.00 (# 735:10 Unique 5.43, 6.73 A)
&rst
ixpk= 735, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 574, 575,
&end
#
# 40 LEU MDX 42 ASP HN 8.00 (# 736:10 Unique 5.50, 7.06 A)
&rst
ixpk= 736, nxpk= 10, iat= -1, 640, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 46 LYS HN 45 ILE HN 6.00 (# 737:10 Unique 2.04, 2.22 A)
&rst
ixpk= 737, nxpk= 10, iat= 710, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 LEU HN 45 ILE HN 6.00 (# 738:10 Unique 4.54, 4.61 A)
&rst
ixpk= 738, nxpk= 10, iat= 672, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 GLU HN 46 LYS HN 2.80 (# 739:10 Unique 2.10, 2.65 A)
&rst
ixpk= 739, nxpk= 10, iat= 732, 710, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 ILE HN 46 LYS HN 6.00 (# 740:10 Unique 2.04, 2.22 A)
&rst
ixpk= 740, nxpk= 10, iat= 691, 710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
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