NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
591749 |
2mxf   |
25407 | cing | 1-original | 10 | AMBER | distance | NOE | simple |
#
# 2 ARG HN 1 ALA HA 2.20 (# 1:20 Unique 2.25, 2.27 A)
&rst
ixpk= 1, nxpk= 20, iat= 14, 6, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 1 ALA HN 1 ALA HA 3.50 (# 2:20 Unique 2.84, 4.87 A)
&rst
ixpk= 2, nxpk= 20, iat= 2, 6, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:3 1 ALA HA 6.00 (# 3:20 Single Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 24, 25, 24, 25,
&end
#
# 0 AMB 20-2:7 1 ALA HA 6.00 (# 7:20 Single Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 48, 49, 48, 49,
&end
#
# 0 AMB 20-2:8 1 ALA HA 2.20 (# 8:20 Single Ambig)
&rst
ixpk= 8, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 8, 9, 10, 45, 46,
&end
#
# 2 ARG HN 1 ALA MB 2.60 (# 9:20 Unique 2.27, 3.18 A)
&rst
ixpk= 9, nxpk= 20, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 8, 9, 10,
&end
#
# 1 ALA HN 1 ALA MB 2.20 (# 12:20 Unique 1.46, 4.07 A)
&rst
ixpk= 12, nxpk= 20, iat= 2, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 8, 9, 10,
&end
#
# 1 ALA HA 1 ALA MB 2.20 (# 15:20 Unique 2.39, 2.66 A)
&rst
ixpk= 15, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 8, 9, 10,
&end
#
# 0 AMB 20-2:17 1 ALA MB 6.00 (# 17:20 Single Ambig)
&rst
ixpk= 17, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 51, 52, 51, 52,
igr2= 8, 9, 10,
&end
#
# 2 ARG HB+ 1 ALA MB 6.00 (# 20:20 Unique 3.77, 5.45 A)
&rst
ixpk= 20, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 18, 19,
igr2= 8, 9, 10,
&end
#
# 3 LYS HB+ 1 ALA MB 6.00 (# 22:20 Unique 4.77, 6.88 A)
&rst
ixpk= 22, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 42, 43,
igr2= 8, 9, 10,
&end
#
# 0 AMB 20-2:23 1 ALA MB 3.50 (# 23:20 Single Ambig)
&rst
ixpk= 23, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 48, 49, 48, 49,
igr2= 8, 9, 10,
&end
#
# 3 LYS HN 2 ARG HA 2.60 (# 24:20 Unique 2.25, 2.54 A)
&rst
ixpk= 24, nxpk= 20, iat= 38, 16, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:25 2 ARG HA 3.50 (# 25:20 Single Ambig)
&rst
ixpk= 25, nxpk= 20, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 24, 25, 24, 25,
&end
#
# 2 ARG HB+ 2 ARG HA 2.60 (# 26:20 Unique 2.60, 2.85 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 18, 19,
&end
#
# 2 ARG HG- 2 ARG HA 2.60 (# 27:20 Unique 2.43, 3.12 A)
&rst
ixpk= 27, nxpk= 20, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 21, 22,
&end
#
# 0 AMB 20-2:28 2 ARG HA 4.50 (# 28:20 Single Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 42, 43,
&end
#
# 3 LYS HG- 2 ARG HA 6.00 (# 29:20 Unique 3.01, 5.57 A)
&rst
ixpk= 29, nxpk= 20, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 45, 46,
&end
#
# 0 AMB 20-2:30 2 ARG HA 6.00 (# 30:20 Single Ambig)
&rst
ixpk= 30, nxpk= 20, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 45, 46, 8, 9, 10,
&end
#
# 2 ARG HG+ 2 ARG HA 2.60 (# 31:20 Unique 2.43, 3.12 A)
&rst
ixpk= 31, nxpk= 20, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 21, 22,
&end
#
# 2 ARG HN 2 ARG HB+ 3.50 (# 32:20 Unique 1.98, 2.90 A)
&rst
ixpk= 32, nxpk= 20, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 18, 19,
&end
#
# 2 ARG HN 2 ARG HB- 3.50 (# 33:20 Unique 1.98, 2.90 A)
&rst
ixpk= 33, nxpk= 20, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 18, 19,
&end
#
# 2 ARG HA 2 ARG HB+ 3.50 (# 37:20 Unique 2.60, 2.85 A)
&rst
ixpk= 37, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 18, 19,
&end
#
# 2 ARG HA 2 ARG HB- 2.60 (# 40:20 Unique 2.60, 2.85 A)
&rst
ixpk= 40, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 18, 19,
&end
#
# 0 AMB 20-2:44 0 AMB 20-1:44 3.50 (# 44:20 Double Ambig)
&rst
ixpk= 44, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 24, 25, 24, 25,
igr2= 18, 19, 18, 19,
&end
#
# 0 AMB 20-2:45 2 ARG HB- 3.50 (# 45:20 Single Ambig)
&rst
ixpk= 45, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 24, 25, 24, 25,
igr2= 18, 19,
&end
#
# 0 AMB 20-2:47 0 AMB 20-1:47 6.00 (# 47:20 Double Ambig)
&rst
ixpk= 47, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 8, 9, 10,
igr2= 18, 19,
&end
#
# 2 ARG HN 2 ARG HG- 3.50 (# 49:20 Unique 2.39, 3.59 A)
&rst
ixpk= 49, nxpk= 20, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 21, 22,
&end
#
# 2 ARG HN 2 ARG HG+ 3.50 (# 50:20 Unique 2.39, 3.59 A)
&rst
ixpk= 50, nxpk= 20, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 21, 22,
&end
#
# 2 ARG HE 2 ARG HG- 6.00 (# 51:20 Unique)
&rst
ixpk= 51, nxpk= 20, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 21, 22,
&end
#
# 2 ARG HE 2 ARG HG+ 6.00 (# 52:20 Unique)
&rst
ixpk= 52, nxpk= 20, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 21, 22,
&end
#
# 2 ARG HA 2 ARG HG+ 3.50 (# 53:20 Unique 2.43, 3.12 A)
&rst
ixpk= 53, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 21, 22,
&end
#
# 2 ARG HA 2 ARG HG- 3.50 (# 54:20 Unique 2.43, 3.12 A)
&rst
ixpk= 54, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 21, 22,
&end
#
# 0 AMB 20-2:57 2 ARG HG- 2.60 (# 57:20 Single Ambig)
&rst
ixpk= 57, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 24, 25, 24, 25,
igr2= 21, 22,
&end
#
# 0 AMB 20-2:58 0 AMB 20-1:58 3.50 (# 58:20 Double Ambig)
&rst
ixpk= 58, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 24, 25, 24, 25,
igr2= 21, 22, 21, 22,
&end
#
# 2 ARG HB+ 2 ARG HG- 2.20 (# 59:20 Unique 2.33, 2.61 A)
&rst
ixpk= 59, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 18, 19,
igr2= 21, 22,
&end
#
# 2 ARG HB+ 2 ARG HG+ 2.20 (# 60:20 Unique 2.33, 2.61 A)
&rst
ixpk= 60, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 18, 19,
igr2= 21, 22,
&end
#
# 1 ALA MB 2 ARG HG+ 6.00 (# 62:20 Unique 3.24, 6.47 A)
&rst
ixpk= 62, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 8, 9, 10,
igr2= 21, 22,
&end
#
# 2 ARG HN 0 AMB 20-1:63 3.50 (# 63:20 Single Ambig)
&rst
ixpk= 63, nxpk= 20, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 24, 25, 24, 25,
&end
#
# 2 ARG HE 0 AMB 20-1:65 3.50 (# 65:20 Single Ambig)
&rst
ixpk= 65, nxpk= 20, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 24, 25, 24, 25,
&end
#
# 2 ARG HA 0 AMB 20-1:72 2.60 (# 72:20 Single Ambig)
&rst
ixpk= 72, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 24, 25, 24, 25,
&end
#
# 0 AMB 20-2:75 0 AMB 20-1:75 2.60 (# 75:20 Double Ambig)
&rst
ixpk= 75, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 21, 22, 21, 22,
igr2= 24, 25, 24, 25,
&end
#
# 2 ARG HG- 0 AMB 20-1:76 2.20 (# 76:20 Single Ambig)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 21, 22,
igr2= 24, 25, 24, 25,
&end
#
# 0 AMB 20-2:77 0 AMB 20-1:77 2.60 (# 77:20 Double Ambig)
&rst
ixpk= 77, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 18, 19, 18, 19,
igr2= 24, 25, 24, 25,
&end
#
# 3 LYS HN 3 LYS HA 3.50 (# 82:20 Unique 2.77, 2.88 A)
&rst
ixpk= 82, nxpk= 20, iat= 38, 40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 VAL HN 3 LYS HA 2.20 (# 83:20 Unique 2.04, 2.11 A)
&rst
ixpk= 83, nxpk= 20, iat= 60, 40, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 0 AMB 20-2:84 3 LYS HA 6.00 (# 84:20 Single Ambig)
&rst
ixpk= 84, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 742, 743, 742, 743, 62,
&end
#
# 0 AMB 20-2:85 3 LYS HA 6.00 (# 85:20 Single Ambig)
&rst
ixpk= 85, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 51, 52, 51, 52,
&end
#
# 3 LYS HB+ 3 LYS HA 2.60 (# 87:20 Unique 2.35, 2.72 A)
&rst
ixpk= 87, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 42, 43,
&end
#
# 0 AMB 20-2:89 3 LYS HA 3.50 (# 89:20 Single Ambig)
&rst
ixpk= 89, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 42, 43, 48, 49, 48, 49,
&end
#
# 0 AMB 20-2:90 3 LYS HA 4.50 (# 90:20 Single Ambig)
&rst
ixpk= 90, nxpk= 20, iat= 64, 40, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 LYS HG- 3 LYS HA 2.60 (# 91:20 Unique 2.43, 2.82 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 45, 46,
&end
#
# 3 LYS HG+ 3 LYS HA 2.60 (# 92:20 Unique 2.43, 2.82 A)
&rst
ixpk= 92, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 45, 46,
&end
#
# 4 VAL MGY 3 LYS HA 3.50 (# 93:20 Unique 3.69, 5.65 A)
&rst
ixpk= 93, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:94 3 LYS HA 3.50 (# 94:20 Single Ambig)
&rst
ixpk= 94, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 66, 67, 68, 70, 71, 72, 711, 712, 713, 715,
716, 717,
&end
#
# 3 LYS HN 3 LYS HB+ 3.50 (# 96:20 Unique 2.30, 3.04 A)
&rst
ixpk= 96, nxpk= 20, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 42, 43,
&end
#
# 3 LYS HN 3 LYS HB- 2.60 (# 97:20 Unique 2.30, 3.04 A)
&rst
ixpk= 97, nxpk= 20, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 42, 43,
&end
#
# 0 AMB 20-2:98 0 AMB 20-1:98 6.00 (# 98:20 Double Ambig)
&rst
ixpk= 98, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 721, 76,
igr2= 42, 43, 42, 43,
&end
#
# 0 AMB 20-2:99 3 LYS HB- 6.00 (# 99:20 Single Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 721, 76,
igr2= 42, 43,
&end
#
# 0 AMB 20-2:100 0 AMB 20-1:100 3.50 (# 100:20 Double Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 60, 2,
igr2= 42, 43, 42, 43,
&end
#
# 0 AMB 20-2:101 3 LYS HB- 3.50 (# 101:20 Single Ambig)
&rst
ixpk= 101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 60, 2,
igr2= 42, 43,
&end
#
# 8 LYS HN 8 LYS HB+ 3.50 (# 102:20 Unique 2.59, 2.87 A)
&rst
ixpk= 102, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 140, 141,
&end
#
# 8 LYS HA 8 LYS HB+ 3.50 (# 103:20 Unique 2.40, 2.74 A)
&rst
ixpk= 103, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 140, 141,
&end
#
# 3 LYS HA 3 LYS HB+ 2.60 (# 104:20 Unique 2.35, 2.72 A)
&rst
ixpk= 104, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 42, 43,
&end
#
# 3 LYS HA 3 LYS HB- 2.60 (# 105:20 Unique 2.35, 2.72 A)
&rst
ixpk= 105, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 42, 43,
&end
#
# 2 ARG HA 3 LYS HB- 6.00 (# 106:20 Unique 4.40, 5.32 A)
&rst
ixpk= 106, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 42, 43,
&end
#
# 0 AMB 20-2:107 0 AMB 20-1:107 3.50 (# 107:20 Double Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 51, 52, 51, 52,
igr2= 42, 43, 42, 43, 42, 43,
&end
#
# 0 AMB 20-2:108 3 LYS HB- 3.50 (# 108:20 Single Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 51, 52, 51, 52,
igr2= 42, 43,
&end
#
# 0 AMB 20-2:109 0 AMB 20-1:109 6.00 (# 109:20 Double Ambig)
&rst
ixpk= 109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 149, 150, 149, 150,
igr2= 140, 141, 140, 141,
&end
#
# 3 LYS HG+ 3 LYS HB+ 2.20 (# 110:20 Unique 2.20, 2.71 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 45, 46,
igr2= 42, 43,
&end
#
# 3 LYS HG+ 3 LYS HB- 2.20 (# 111:20 Unique 2.20, 2.71 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 45, 46,
igr2= 42, 43,
&end
#
# 8 LYS HG+ 8 LYS HB+ 2.60 (# 112:20 Unique 2.31, 2.76 A)
&rst
ixpk= 112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 143, 144,
igr2= 140, 141,
&end
#
# 0 AMB 20-2:113 0 AMB 20-1:113 2.60 (# 113:20 Double Ambig)
&rst
ixpk= 113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 143, 144, 711, 712, 713, 715, 716, 717,
igr2= 140, 141, 42, 43,
&end
#
# 0 AMB 20-2:114 0 AMB 20-1:114 2.20 (# 114:20 Double Ambig)
&rst
ixpk= 114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 246, 247, 248, 250, 251, 252, 246, 247, 248, 250,
251, 252,
igr2= 140, 141, 140, 141,
&end
#
# 3 LYS HN 3 LYS HG- 3.50 (# 115:20 Unique 2.57, 3.26 A)
&rst
ixpk= 115, nxpk= 20, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 45, 46,
&end
#
# 3 LYS HN 3 LYS HG+ 3.50 (# 116:20 Unique 2.57, 3.26 A)
&rst
ixpk= 116, nxpk= 20, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 45, 46,
&end
#
# 1 ALA HN 3 LYS HG+ 3.50 (# 117:20 Unique 1.08, 2.29 A)
&rst
ixpk= 117, nxpk= 20, iat= 2, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 45, 46,
&end
#
# 1 ALA HN 3 LYS HG- 3.50 (# 118:20 Unique 1.08, 2.29 A)
&rst
ixpk= 118, nxpk= 20, iat= 2, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 45, 46,
&end
#
# 2 ARG HA 3 LYS HG- 6.00 (# 119:20 Unique 3.01, 5.57 A)
&rst
ixpk= 119, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 45, 46,
&end
#
# 2 ARG HA 3 LYS HG+ 6.00 (# 120:20 Unique 3.01, 5.57 A)
&rst
ixpk= 120, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 45, 46,
&end
#
# 3 LYS HA 3 LYS HG+ 2.60 (# 121:20 Unique 2.43, 2.82 A)
&rst
ixpk= 121, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 45, 46,
&end
#
# 3 LYS HA 3 LYS HG- 2.60 (# 122:20 Unique 2.43, 2.82 A)
&rst
ixpk= 122, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 45, 46,
&end
#
# 0 AMB 20-2:125 0 AMB 20-1:125 2.60 (# 125:20 Double Ambig)
&rst
ixpk= 125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 51, 52, 51, 52,
igr2= 45, 46, 45, 46,
&end
#
# 0 AMB 20-2:126 3 LYS HG- 2.60 (# 126:20 Single Ambig)
&rst
ixpk= 126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 51, 52, 51, 52,
igr2= 45, 46,
&end
#
# 3 LYS HB+ 3 LYS HG- 2.20 (# 127:20 Unique 2.20, 2.71 A)
&rst
ixpk= 127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 42, 43,
igr2= 45, 46,
&end
#
# 3 LYS HB+ 3 LYS HG+ 2.20 (# 128:20 Unique 2.20, 2.71 A)
&rst
ixpk= 128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 42, 43,
igr2= 45, 46,
&end
#
# 44 LEU MDX 3 LYS HG+ 2.60 (# 129:20 Unique 2.22, 5.14 A)
&rst
ixpk= 129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 711, 712, 713, 715, 716, 717,
igr2= 45, 46,
&end
#
# 44 LEU MDY 3 LYS HG- 6.00 (# 130:20 Unique 2.22, 5.14 A)
&rst
ixpk= 130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 711, 712, 713, 715, 716, 717,
igr2= 45, 46,
&end
#
# 24 LYS HN 0 AMB 20-1:131 6.00 (# 131:20 Single Ambig)
&rst
ixpk= 131, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 382, 383, 382, 383,
&end
#
# 3 LYS HN 0 AMB 20-1:132 3.50 (# 132:20 Single Ambig)
&rst
ixpk= 132, nxpk= 20, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 48, 49, 48, 49,
&end
#
# 1 ALA HN 0 AMB 20-1:134 3.50 (# 134:20 Single Ambig)
&rst
ixpk= 134, nxpk= 20, iat= 2, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 48, 49, 48, 49,
&end
#
# 0 AMB 20-2:136 0 AMB 20-1:136 2.20 (# 136:20 Double Ambig)
&rst
ixpk= 136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 440, 441, 51, 52, 51, 52, 51, 52, 385, 386,
385, 386, 385, 386,
igr2= 437, 438, 48, 49, 48, 49, 48, 49, 382, 383,
382, 383, 382, 383,
&end
#
# 0 AMB 20-2:139 0 AMB 20-1:139 3.50 (# 139:20 Double Ambig)
&rst
ixpk= 139, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 382, 383, 382, 383,
&end
#
# 0 AMB 20-2:140 0 AMB 20-1:140 2.60 (# 140:20 Double Ambig)
&rst
ixpk= 140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 379, 380,
igr2= 382, 383, 382, 383,
&end
#
# 44 LEU MDX 0 AMB 20-1:141 2.60 (# 141:20 Single Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 711, 712, 713, 715, 716, 717,
igr2= 48, 49, 48, 49,
&end
#
# 3 LYS HN 0 AMB 20-1:143 6.00 (# 143:20 Single Ambig)
&rst
ixpk= 143, nxpk= 20, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 51, 52, 51, 52,
&end
#
# 4 VAL HN 0 AMB 20-1:144 6.00 (# 144:20 Single Ambig)
&rst
ixpk= 144, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 51, 52, 51, 52,
&end
#
# 0 AMB 20-2:147 0 AMB 20-1:147 6.00 (# 147:20 Double Ambig)
&rst
ixpk= 147, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 20-2:148 0 AMB 20-1:148 2.20 (# 148:20 Double Ambig)
&rst
ixpk= 148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 48, 49, 48, 49, 48, 49, 382, 383, 382, 383,
382, 383,
igr2= 51, 52, 51, 52, 51, 52, 385, 386, 385, 386,
385, 386,
&end
#
# 0 AMB 20-2:149 0 AMB 20-1:149 2.60 (# 149:20 Double Ambig)
&rst
ixpk= 149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 376, 377, 376, 377,
igr2= 385, 386, 385, 386,
&end
#
# 3 LYS HG- 0 AMB 20-1:150 2.20 (# 150:20 Single Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 45, 46,
igr2= 51, 52, 51, 52,
&end
#
# 0 AMB 20-2:151 0 AMB 20-1:151 3.00 (# 151:20 Double Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 311, 312, 311, 312,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 20-2:152 0 AMB 20-1:152 2.20 (# 152:20 Double Ambig)
&rst
ixpk= 152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 45, 46,
igr2= 51, 52, 51, 52,
&end
#
# 0 AMB 20-2:153 0 AMB 20-1:153 4.50 (# 153:20 Double Ambig)
&rst
ixpk= 153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 66, 67, 68, 70, 71, 72, 711, 712, 713, 715,
716, 717,
igr2= 317, 318, 317, 318,
&end
#
# 4 VAL MGY 0 AMB 20-1:154 2.60 (# 154:20 Single Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 66, 67, 68, 70, 71, 72,
igr2= 317, 318, 317, 318,
&end
#
# 18 THR HN 4 VAL HA 6.00 (# 155:20 Unique 4.29, 4.40 A)
&rst
ixpk= 155, nxpk= 20, iat= 290, 62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 LYS HN 4 VAL HA 2.60 (# 156:20 Unique 2.12, 2.19 A)
&rst
ixpk= 156, nxpk= 20, iat= 76, 62, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 4 VAL HN 4 VAL HA 3.50 (# 157:20 Unique 2.83, 2.92 A)
&rst
ixpk= 157, nxpk= 20, iat= 60, 62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 LYS HA 4 VAL HA 6.00 (# 159:20 Unique 4.38, 4.45 A)
&rst
ixpk= 159, nxpk= 20, iat= 40, 62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:160 4 VAL HA 6.00 (# 160:20 Single Ambig)
&rst
ixpk= 160, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 317, 318, 317, 318,
&end
#
# 4 VAL HB 4 VAL HA 3.50 (# 161:20 Unique 3.03, 3.04 A)
&rst
ixpk= 161, nxpk= 20, iat= 64, 62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:162 4 VAL HA 4.30 (# 162:20 Single Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 80, 81,
&end
#
# 19 LYS HG+ 4 VAL HA 3.50 (# 163:20 Unique 2.16, 2.99 A)
&rst
ixpk= 163, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 311, 312,
&end
#
# 19 LYS HG- 4 VAL HA 3.50 (# 164:20 Unique 2.16, 2.99 A)
&rst
ixpk= 164, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 311, 312,
&end
#
# 0 AMB 20-2:165 4 VAL HA 6.00 (# 165:20 Single Ambig)
&rst
ixpk= 165, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 83, 84, 296, 297, 298,
&end
#
# 4 VAL MGY 4 VAL HA 2.60 (# 166:20 Unique 2.43, 3.17 A)
&rst
ixpk= 166, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL MGX 4 VAL HA 2.60 (# 167:20 Unique 2.43, 3.17 A)
&rst
ixpk= 167, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 6 GLN HN 4 VAL HB 6.00 (# 168:20 Unique 5.19, 5.38 A)
&rst
ixpk= 168, nxpk= 20, iat= 98, 64, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:169 4 VAL HB 3.50 (# 169:20 Single Ambig)
&rst
ixpk= 169, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 721, 76,
&end
#
# 4 VAL HN 4 VAL HB 2.60 (# 170:20 Unique 2.54, 2.61 A)
&rst
ixpk= 170, nxpk= 20, iat= 60, 64, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 3 LYS HA 4 VAL HB 6.00 (# 171:20 Unique 4.51, 4.65 A)
&rst
ixpk= 171, nxpk= 20, iat= 40, 64, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 VAL HA 4 VAL HB 3.50 (# 172:20 Unique 3.03, 3.04 A)
&rst
ixpk= 172, nxpk= 20, iat= 62, 64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 LEU HB- 4 VAL HB 2.60 (# 174:20 Unique 2.04, 2.87 A)
&rst
ixpk= 174, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 725, 726,
&end
#
# 4 VAL MGY 4 VAL HB 2.20 (# 175:20 Unique 2.37, 2.66 A)
&rst
ixpk= 175, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 45 LEU MDX 4 VAL HB 6.00 (# 176:20 Unique 2.36, 4.79 A)
&rst
ixpk= 176, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 730, 731, 732, 734, 735, 736,
&end
#
# 4 VAL MGX 4 VAL HB 2.20 (# 177:20 Unique 2.37, 2.66 A)
&rst
ixpk= 177, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 18 THR HN 4 VAL MGX 2.60 (# 178:20 Unique 2.79, 4.69 A)
&rst
ixpk= 178, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 6 GLN HN 4 VAL MGX 6.00 (# 179:20 Unique 3.82, 6.39 A)
&rst
ixpk= 179, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:180 4 VAL MGX 2.60 (# 180:20 Single Ambig)
&rst
ixpk= 180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 76, 721,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL HN 4 VAL MGX 6.00 (# 181:20 Unique 1.90, 3.82 A)
&rst
ixpk= 181, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL HN 4 VAL MGY 2.20 (# 182:20 Unique 1.90, 3.82 A)
&rst
ixpk= 182, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:183 4 VAL MGY 6.00 (# 183:20 Single Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 76, 721,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 17 GLU HA 4 VAL MGX 3.50 (# 184:20 Unique 3.18, 5.20 A)
&rst
ixpk= 184, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 17 GLU HA 4 VAL MGY 6.00 (# 185:20 Unique 3.18, 5.20 A)
&rst
ixpk= 185, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 18 THR HA 4 VAL MGY 3.50 (# 186:20 Unique 3.48, 5.38 A)
&rst
ixpk= 186, nxpk= 20, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 18 THR HA 4 VAL MGX 6.00 (# 187:20 Unique 3.48, 5.38 A)
&rst
ixpk= 187, nxpk= 20, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 47 HIS HA 4 VAL MGY 6.00 (# 188:20 Unique 4.49, 7.39 A)
&rst
ixpk= 188, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 3 LYS HA 4 VAL MGX 6.00 (# 189:20 Unique 3.69, 5.65 A)
&rst
ixpk= 189, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 3 LYS HA 4 VAL MGY 3.50 (# 190:20 Unique 3.69, 5.65 A)
&rst
ixpk= 190, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL HA 4 VAL MGY 2.60 (# 192:20 Unique 2.43, 3.17 A)
&rst
ixpk= 192, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL HA 4 VAL MGX 2.60 (# 193:20 Unique 2.43, 3.17 A)
&rst
ixpk= 193, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:194 4 VAL MGX 6.00 (# 194:20 Single Ambig)
&rst
ixpk= 194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 317, 318, 317, 318,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:195 4 VAL MGY 2.60 (# 195:20 Single Ambig)
&rst
ixpk= 195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 317, 318, 317, 318,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 17 GLU HG+ 4 VAL MGX 2.60 (# 197:20 Unique 2.70, 5.38 A)
&rst
ixpk= 197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 282, 283,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 17 GLU HG+ 4 VAL MGY 6.00 (# 198:20 Unique 2.70, 5.38 A)
&rst
ixpk= 198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 282, 283,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:199 4 VAL MGX 2.60 (# 199:20 Single Ambig)
&rst
ixpk= 199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 282, 283, 102, 103,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL HB 4 VAL MGY 2.20 (# 200:20 Unique 2.37, 2.66 A)
&rst
ixpk= 200, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:201 4 VAL MGY 6.00 (# 201:20 Single Ambig)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 282, 283, 102, 103,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL HB 4 VAL MGX 2.20 (# 202:20 Unique 2.37, 2.66 A)
&rst
ixpk= 202, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:203 4 VAL MGY 3.50 (# 203:20 Single Ambig)
&rst
ixpk= 203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 314, 315, 314, 315,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:204 4 VAL MGX 2.60 (# 204:20 Single Ambig)
&rst
ixpk= 204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 728, 725, 726,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:205 4 VAL MGY 2.20 (# 205:20 Single Ambig)
&rst
ixpk= 205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 728, 725, 726,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 19 LYS HG- 4 VAL MGY 3.50 (# 206:20 Unique 2.23, 4.10 A)
&rst
ixpk= 206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 311, 312,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 19 LYS HG- 4 VAL MGX 3.50 (# 207:20 Unique 2.23, 4.10 A)
&rst
ixpk= 207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 311, 312,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 6 GLN HA 4 VAL MGX 6.00 (# 210:20 Unique 3.71, 6.18 A)
&rst
ixpk= 210, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 18 THR HN 4 VAL MGY 6.00 (# 212:20 Unique 2.79, 4.69 A)
&rst
ixpk= 212, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 18 THR HN 5 LYS HB+ 6.00 (# 213:20 Unique 4.00, 4.30 A)
&rst
ixpk= 213, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 80, 81,
&end
#
# 18 THR HN 5 LYS HB- 6.00 (# 214:20 Unique 4.00, 4.30 A)
&rst
ixpk= 214, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 80, 81,
&end
#
# 6 GLN HN 5 LYS HB- 3.50 (# 215:20 Unique 3.31, 3.94 A)
&rst
ixpk= 215, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 80, 81,
&end
#
# 6 GLN HN 5 LYS HB+ 3.50 (# 216:20 Unique 3.31, 3.94 A)
&rst
ixpk= 216, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 80, 81,
&end
#
# 5 LYS HN 5 LYS HB- 3.50 (# 219:20 Unique 2.41, 3.02 A)
&rst
ixpk= 219, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 80, 81,
&end
#
# 5 LYS HN 5 LYS HB+ 3.50 (# 220:20 Unique 2.41, 3.02 A)
&rst
ixpk= 220, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 80, 81,
&end
#
# 7 TYR HD 5 LYS HB+ 6.00 (# 221:20 Unique 3.54, 5.10 A)
&rst
ixpk= 221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 123, 132,
igr2= 80, 81,
&end
#
# 7 TYR HD 5 LYS HB- 6.00 (# 222:20 Unique 3.54, 5.10 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 123, 132,
igr2= 80, 81,
&end
#
# 7 TYR HE 5 LYS HB- 3.50 (# 223:20 Unique 2.60, 4.00 A)
&rst
ixpk= 223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 125, 130,
igr2= 80, 81,
&end
#
# 7 TYR HE 5 LYS HB+ 3.50 (# 224:20 Unique 2.60, 4.00 A)
&rst
ixpk= 224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 125, 130,
igr2= 80, 81,
&end
#
# 44 LEU HA 5 LYS HB+ 6.00 (# 225:20 Unique 5.05, 5.34 A)
&rst
ixpk= 225, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 80, 81,
&end
#
# 44 LEU HA 5 LYS HB- 6.00 (# 226:20 Unique 5.05, 5.34 A)
&rst
ixpk= 226, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 80, 81,
&end
#
# 4 VAL HA 5 LYS HB+ 6.00 (# 227:20 Unique 4.35, 5.04 A)
&rst
ixpk= 227, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:228 5 LYS HB- 3.50 (# 228:20 Single Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 89, 90, 89, 90,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:229 0 AMB 20-1:229 3.50 (# 229:20 Double Ambig)
&rst
ixpk= 229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 89, 90, 89, 90,
igr2= 80, 81, 80, 81,
&end
#
# 5 LYS HD+ 5 LYS HB+ 2.60 (# 230:20 Unique 2.35, 2.79 A)
&rst
ixpk= 230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 86, 87,
igr2= 80, 81,
&end
#
# 5 LYS HD+ 5 LYS HB- 2.60 (# 231:20 Unique 2.35, 2.79 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 86, 87,
igr2= 80, 81,
&end
#
# 5 LYS HG- 5 LYS HB+ 2.60 (# 232:20 Unique 2.38, 2.76 A)
&rst
ixpk= 232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 42 ALA MB 5 LYS HB+ 3.50 (# 233:20 Unique 2.73, 4.49 A)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 682, 683, 684,
igr2= 80, 81,
&end
#
# 42 ALA MB 5 LYS HB- 2.60 (# 234:20 Unique 2.73, 4.49 A)
&rst
ixpk= 234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 682, 683, 684,
igr2= 80, 81,
&end
#
# 5 LYS HG- 5 LYS HB- 2.60 (# 235:20 Unique 2.38, 2.76 A)
&rst
ixpk= 235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 4 VAL MGY 5 LYS HB+ 6.00 (# 236:20 Unique 4.81, 6.86 A)
&rst
ixpk= 236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 66, 67, 68, 70, 71, 72,
igr2= 80, 81,
&end
#
# 4 VAL MGY 5 LYS HB- 6.00 (# 237:20 Unique 4.81, 6.86 A)
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 66, 67, 68, 70, 71, 72,
igr2= 80, 81,
&end
#
# 18 THR HN 5 LYS HG- 6.00 (# 238:20 Unique 6.17, 6.33 A)
&rst
ixpk= 238, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 83, 84,
&end
#
# 18 THR HN 5 LYS HG+ 6.00 (# 239:20 Unique 6.17, 6.33 A)
&rst
ixpk= 239, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 83, 84,
&end
#
# 6 GLN HN 5 LYS HG+ 6.00 (# 240:20 Unique 3.54, 4.10 A)
&rst
ixpk= 240, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 83, 84,
&end
#
# 6 GLN HN 5 LYS HG- 3.50 (# 241:20 Unique 3.54, 4.10 A)
&rst
ixpk= 241, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:242 5 LYS HG- 3.50 (# 242:20 Single Ambig)
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 76, 721,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:243 0 AMB 20-1:243 3.50 (# 243:20 Double Ambig)
&rst
ixpk= 243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 76, 721,
igr2= 83, 84, 83, 84,
&end
#
# 7 TYR HE 5 LYS HG- 6.00 (# 244:20 Unique 4.93, 5.84 A)
&rst
ixpk= 244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 130,
igr2= 83, 84,
&end
#
# 7 TYR HE 5 LYS HG+ 6.00 (# 245:20 Unique 4.93, 5.84 A)
&rst
ixpk= 245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 130,
igr2= 83, 84,
&end
#
# 44 LEU HA 5 LYS HG+ 6.00 (# 246:20 Unique 3.24, 3.51 A)
&rst
ixpk= 246, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 83, 84,
&end
#
# 44 LEU HA 5 LYS HG- 3.50 (# 247:20 Unique 3.24, 3.51 A)
&rst
ixpk= 247, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:248 0 AMB 20-1:248 3.50 (# 248:20 Double Ambig)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 89, 90, 89, 90,
igr2= 83, 84, 83, 84,
&end
#
# 0 AMB 20-2:249 5 LYS HG- 3.50 (# 249:20 Single Ambig)
&rst
ixpk= 249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 89, 90, 89, 90,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:250 0 AMB 20-1:250 3.50 (# 250:20 Double Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 682, 683, 684, 711, 712, 713, 715, 716, 717,
igr2= 83, 84, 83, 84,
&end
#
# 0 AMB 20-2:251 5 LYS HG- 3.50 (# 251:20 Single Ambig)
&rst
ixpk= 251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 682, 683, 684, 711, 712, 713, 715, 716, 717,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:252 5 LYS HG- 2.60 (# 252:20 Single Ambig)
&rst
ixpk= 252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 86, 87, 709, 706, 707,
igr2= 83, 84,
&end
#
# 5 LYS HD- 5 LYS HG- 2.60 (# 253:20 Unique 2.39, 2.77 A)
&rst
ixpk= 253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 86, 87,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:254 5 LYS HG- 6.00 (# 254:20 Single Ambig)
&rst
ixpk= 254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 64, 105, 106,
igr2= 83, 84,
&end
#
# 30 LYS HN 30 LYS HD- 6.00 (# 255:20 Unique 4.27, 5.32 A)
&rst
ixpk= 255, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 498, 499,
&end
#
# 6 GLN HN 5 LYS HD- 6.00 (# 256:20 Unique 5.25, 5.79 A)
&rst
ixpk= 256, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 86, 87,
&end
#
# 6 GLN HN 5 LYS HD+ 6.00 (# 257:20 Unique 5.25, 5.79 A)
&rst
ixpk= 257, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 86, 87,
&end
#
# 0 AMB 20-2:258 0 AMB 20-1:258 6.00 (# 258:20 Double Ambig)
&rst
ixpk= 258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 76, 721,
igr2= 86, 87, 86, 87,
&end
#
# 0 AMB 20-2:259 5 LYS HD- 6.00 (# 259:20 Single Ambig)
&rst
ixpk= 259, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 86, 87,
&end
#
# 7 TYR HD 5 LYS HD- 6.00 (# 260:20 Unique 5.16, 6.23 A)
&rst
ixpk= 260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 123, 132,
igr2= 86, 87,
&end
#
# 7 TYR HD 5 LYS HD+ 6.00 (# 261:20 Unique 5.16, 6.23 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 123, 132,
igr2= 86, 87,
&end
#
# 7 TYR HE 5 LYS HD- 6.00 (# 262:20 Unique 3.60, 4.51 A)
&rst
ixpk= 262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 130,
igr2= 86, 87,
&end
#
# 7 TYR HE 5 LYS HD+ 6.00 (# 263:20 Unique 3.60, 4.51 A)
&rst
ixpk= 263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 130,
igr2= 86, 87,
&end
#
# 4 VAL HA 5 LYS HD+ 6.00 (# 264:20 Unique 6.16, 6.72 A)
&rst
ixpk= 264, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 86, 87,
&end
#
# 0 AMB 20-2:265 0 AMB 20-1:265 2.60 (# 265:20 Double Ambig)
&rst
ixpk= 265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 89, 90, 89, 90,
igr2= 86, 87, 86, 87,
&end
#
# 0 AMB 20-2:266 5 LYS HD- 2.60 (# 266:20 Single Ambig)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 89, 90, 89, 90,
igr2= 86, 87,
&end
#
# 30 LYS HE- 30 LYS HD- 3.50 (# 267:20 Unique 2.44, 2.78 A)
&rst
ixpk= 267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 501, 502,
igr2= 498, 499,
&end
#
# 5 LYS HG+ 5 LYS HD+ 2.20 (# 268:20 Unique 2.39, 2.77 A)
&rst
ixpk= 268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 83, 84,
igr2= 86, 87,
&end
#
# 5 LYS HB- 5 LYS HD- 2.20 (# 269:20 Unique 2.35, 2.79 A)
&rst
ixpk= 269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 80, 81,
igr2= 86, 87,
&end
#
# 0 AMB 20-2:270 0 AMB 20-1:270 2.60 (# 270:20 Double Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 495, 496, 83, 84,
igr2= 498, 499, 86, 87,
&end
#
# 5 LYS HG- 5 LYS HD+ 2.60 (# 271:20 Unique 2.39, 2.77 A)
&rst
ixpk= 271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 83, 84,
igr2= 86, 87,
&end
#
# 42 ALA MB 5 LYS HD+ 2.60 (# 272:20 Unique 2.36, 3.95 A)
&rst
ixpk= 272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 682, 683, 684,
igr2= 86, 87,
&end
#
# 42 ALA MB 5 LYS HD- 2.60 (# 273:20 Unique 2.36, 3.95 A)
&rst
ixpk= 273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 682, 683, 684,
igr2= 86, 87,
&end
#
# 26 LEU MDY 0 AMB 20-1:274 6.00 (# 274:20 Single Ambig)
&rst
ixpk= 274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 498, 499, 86, 87,
&end
#
# 38 VAL MGX 30 LYS HD- 6.00 (# 275:20 Unique 4.57, 6.16 A)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 498, 499,
&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= 9.08, r4= 9.58,
igr1= 688, 98,
igr2= 89, 90, 89, 90, 89, 90,
&end
#
# 0 AMB 20-2:277 0 AMB 20-1:277 6.00 (# 277:20 Double Ambig)
&rst
ixpk= 277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 76, 721,
igr2= 89, 90, 89, 90, 89, 90,
&end
#
# 7 TYR HD 0 AMB 20-1:278 6.00 (# 278:20 Single Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 123, 132,
igr2= 89, 90, 89, 90,
&end
#
# 7 TYR HE 0 AMB 20-1:279 3.50 (# 279:20 Single Ambig)
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 125, 130,
igr2= 89, 90, 89, 90,
&end
#
# 0 AMB 20-2:280 0 AMB 20-1:280 6.00 (# 280:20 Double Ambig)
&rst
ixpk= 280, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 89, 90, 89, 90,
&end
#
# 0 AMB 20-2:281 0 AMB 20-1:281 6.00 (# 281:20 Double Ambig)
&rst
ixpk= 281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 630, 690,
igr2= 89, 90, 89, 90, 89, 90,
&end
#
# 0 AMB 20-2:282 0 AMB 20-1:282 2.20 (# 282:20 Double Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 86, 87, 86, 87, 706, 707, 706, 707,
igr2= 89, 90, 89, 90, 89, 90,
&end
#
# 5 LYS HD- 0 AMB 20-1:283 2.20 (# 283:20 Single Ambig)
&rst
ixpk= 283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 86, 87,
igr2= 89, 90, 89, 90,
&end
#
# 0 AMB 20-2:284 0 AMB 20-1:284 2.20 (# 284:20 Double Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 83, 84, 83, 84, 80, 81,
igr2= 89, 90, 89, 90,
&end
#
# 5 LYS HG- 0 AMB 20-1:285 2.60 (# 285:20 Single Ambig)
&rst
ixpk= 285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 83, 84,
igr2= 89, 90, 89, 90,
&end
#
# 42 ALA MB 0 AMB 20-1:286 2.20 (# 286:20 Single Ambig)
&rst
ixpk= 286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 682, 683, 684,
igr2= 89, 90, 89, 90,
&end
#
# 7 TYR HN 6 GLN HA 2.60 (# 288:20 Unique 2.15, 2.22 A)
&rst
ixpk= 288, nxpk= 20, iat= 115, 100, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 18 THR HN 6 GLN HA 3.50 (# 289:20 Unique 3.51, 3.56 A)
&rst
ixpk= 289, nxpk= 20, iat= 290, 100, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLN HN 6 GLN HA 3.50 (# 290:20 Unique 2.94, 2.95 A)
&rst
ixpk= 290, nxpk= 20, iat= 98, 100, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU HN 6 GLN HA 6.00 (# 291:20 Unique 4.42, 4.48 A)
&rst
ixpk= 291, nxpk= 20, iat= 275, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 GLN HE2+ 6 GLN HA 6.00 (# 292:20 Unique 4.15, 5.06 A)
&rst
ixpk= 292, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 110, 111,
&end
#
# 7 TYR HD 6 GLN HA 6.00 (# 293:20 Unique 3.28, 5.03 A)
&rst
ixpk= 293, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 132,
&end
#
# 17 GLU HA 6 GLN HA 2.20 (# 294:20 Unique 2.06, 2.11 A)
&rst
ixpk= 294, nxpk= 20, iat= 277, 100, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 7 TYR HA 6 GLN HA 6.00 (# 295:20 Unique 4.47, 4.51 A)
&rst
ixpk= 295, nxpk= 20, iat= 117, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:296 6 GLN HA 3.50 (# 296:20 Single Ambig)
&rst
ixpk= 296, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 282, 283, 105, 106,
&end
#
# 0 AMB 20-2:297 6 GLN HA 2.60 (# 297:20 Single Ambig)
&rst
ixpk= 297, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 102, 103, 282, 283,
&end
#
# 6 GLN HG- 6 GLN HA 3.50 (# 298:20 Unique 3.03, 3.38 A)
&rst
ixpk= 298, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 105, 106,
&end
#
# 6 GLN HB- 6 GLN HA 2.60 (# 299:20 Unique 2.21, 2.61 A)
&rst
ixpk= 299, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 102, 103,
&end
#
# 0 AMB 20-2:300 6 GLN HA 6.00 (# 300:20 Single Ambig)
&rst
ixpk= 300, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 728, 260,
&end
#
# 5 LYS HB- 6 GLN HA 6.00 (# 301:20 Unique 4.46, 5.01 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 80, 81,
&end
#
# 0 AMB 20-2:302 6 GLN HA 6.00 (# 302:20 Single Ambig)
&rst
ixpk= 302, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 266, 267, 694, 695, 696,
&end
#
# 0 AMB 20-2:303 6 GLN HA 6.00 (# 303:20 Single Ambig)
&rst
ixpk= 303, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 296, 297, 298, 83, 84,
&end
#
# 45 LEU MDY 6 GLN HA 3.50 (# 304:20 Unique 3.30, 5.18 A)
&rst
ixpk= 304, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 730, 731, 732, 734, 735, 736,
&end
#
# 15 VAL MGX 6 GLN HA 6.00 (# 305:20 Unique 4.50, 6.63 A)
&rst
ixpk= 305, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 7 TYR HB- 6 GLN HA 6.00 (# 306:20 Unique 4.31, 5.04 A)
&rst
ixpk= 306, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 7 TYR HB+ 6 GLN HA 6.00 (# 307:20 Unique 4.31, 5.04 A)
&rst
ixpk= 307, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 7 TYR HN 6 GLN HB+ 6.00 (# 308:20 Unique 3.54, 3.94 A)
&rst
ixpk= 308, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 7 TYR HN 6 GLN HB- 6.00 (# 309:20 Unique 3.54, 3.94 A)
&rst
ixpk= 309, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 6 GLN HN 6 GLN HB- 2.60 (# 310:20 Unique 2.19, 2.81 A)
&rst
ixpk= 310, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 102, 103,
&end
#
# 6 GLN HN 6 GLN HB+ 2.60 (# 311:20 Unique 2.19, 2.81 A)
&rst
ixpk= 311, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 102, 103,
&end
#
# 24 LYS HN 24 LYS HB+ 3.50 (# 312:20 Unique 2.19, 2.59 A)
&rst
ixpk= 312, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 376, 377,
&end
#
# 25 THR HN 24 LYS HB+ 3.50 (# 313:20 Unique 2.40, 3.19 A)
&rst
ixpk= 313, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 376, 377,
&end
#
# 0 AMB 20-2:314 0 AMB 20-1:314 4.30 (# 314:20 Double Ambig)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 721, 76,
igr2= 102, 103, 102, 103,
&end
#
# 6 GLN HE2+ 6 GLN HB- 3.50 (# 315:20 Unique 2.47, 3.54 A)
&rst
ixpk= 315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 110, 111,
igr2= 102, 103,
&end
#
# 6 GLN HE2+ 6 GLN HB+ 3.50 (# 316:20 Unique 2.47, 3.54 A)
&rst
ixpk= 316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 110, 111,
igr2= 102, 103,
&end
#
# 6 GLN HE2- 6 GLN HB+ 6.00 (# 317:20 Unique 2.47, 3.54 A)
&rst
ixpk= 317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2= 102, 103,
&end
#
# 6 GLN HE2- 6 GLN HB- 6.00 (# 318:20 Unique 2.47, 3.54 A)
&rst
ixpk= 318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2= 102, 103,
&end
#
# 6 GLN HA 6 GLN HB+ 3.50 (# 319:20 Unique 2.21, 2.61 A)
&rst
ixpk= 319, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 102, 103,
&end
#
# 6 GLN HA 6 GLN HB- 3.50 (# 320:20 Unique 2.21, 2.61 A)
&rst
ixpk= 320, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 102, 103,
&end
#
# 43 THR HB 6 GLN HB+ 2.60 (# 321:20 Unique 2.21, 3.17 A)
&rst
ixpk= 321, nxpk= 20, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 102, 103,
&end
#
# 24 LYS HA 24 LYS HB+ 2.60 (# 322:20 Unique 2.42, 2.78 A)
&rst
ixpk= 322, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 376, 377,
&end
#
# 14 GLU HA 14 GLU HB- 3.50 (# 323:20 Unique 2.50, 2.78 A)
&rst
ixpk= 323, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 229, 230,
&end
#
# 0 AMB 20-2:325 6 GLN HB- 2.20 (# 325:20 Single Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 105, 106, 282, 283,
igr2= 102, 103,
&end
#
# 6 GLN HG- 6 GLN HB+ 2.20 (# 326:20 Unique 2.32, 2.74 A)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 105, 106,
igr2= 102, 103,
&end
#
# 43 THR MG2 6 GLN HB+ 3.50 (# 327:20 Unique 3.60, 5.17 A)
&rst
ixpk= 327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 694, 695, 696,
igr2= 102, 103,
&end
#
# 43 THR MG2 6 GLN HB- 6.00 (# 328:20 Unique 3.60, 5.17 A)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 694, 695, 696,
igr2= 102, 103,
&end
#
# 45 LEU MDY 6 GLN HB+ 2.60 (# 329:20 Unique 2.13, 3.55 A)
&rst
ixpk= 329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 730, 731, 732, 734, 735, 736,
igr2= 102, 103,
&end
#
# 15 VAL MGX 6 GLN HB+ 3.50 (# 330:20 Unique 4.13, 6.45 A)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 102, 103,
&end
#
# 45 LEU MDY 6 GLN HB- 2.20 (# 331:20 Unique 2.13, 3.55 A)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 730, 731, 732, 734, 735, 736,
igr2= 102, 103,
&end
#
# 0 AMB 20-2:332 6 GLN HB- 3.50 (# 332:20 Single Ambig)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 246, 247, 248, 250, 251, 252, 66, 67, 68, 70,
71, 72,
igr2= 102, 103,
&end
#
# 25 THR MG2 14 GLU HB- 6.00 (# 334:20 Unique 3.27, 4.50 A)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 400, 401, 402,
igr2= 229, 230,
&end
#
# 7 TYR HN 6 GLN HG+ 3.50 (# 335:20 Unique 2.47, 3.06 A)
&rst
ixpk= 335, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 105, 106,
&end
#
# 7 TYR HN 6 GLN HG- 3.50 (# 336:20 Unique 2.47, 3.06 A)
&rst
ixpk= 336, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 105, 106,
&end
#
# 6 GLN HN 6 GLN HG- 3.50 (# 337:20 Unique 3.71, 4.11 A)
&rst
ixpk= 337, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 105, 106,
&end
#
# 6 GLN HN 6 GLN HG+ 3.50 (# 338:20 Unique 3.71, 4.11 A)
&rst
ixpk= 338, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 105, 106,
&end
#
# 6 GLN HE2+ 6 GLN HG+ 2.60 (# 339:20 Unique 2.51, 3.49 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 110, 111,
igr2= 105, 106,
&end
#
# 6 GLN HE2+ 6 GLN HG- 3.50 (# 340:20 Unique 2.51, 3.49 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 110, 111,
igr2= 105, 106,
&end
#
# 6 GLN HE2- 6 GLN HG+ 3.50 (# 341:20 Unique 2.51, 3.49 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 110, 111,
igr2= 105, 106,
&end
#
# 6 GLN HE2- 6 GLN HG- 3.50 (# 342:20 Unique 2.51, 3.49 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 110, 111,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:343 0 AMB 20-1:343 3.50 (# 343:20 Double Ambig)
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 242, 277,
igr2= 105, 106, 105, 106,
&end
#
# 0 AMB 20-2:344 6 GLN HG- 4.30 (# 344:20 Single Ambig)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 242, 277,
igr2= 105, 106,
&end
#
# 6 GLN HA 6 GLN HG+ 3.50 (# 345:20 Unique 3.03, 3.38 A)
&rst
ixpk= 345, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 105, 106,
&end
#
# 6 GLN HA 6 GLN HG- 3.50 (# 346:20 Unique 3.03, 3.38 A)
&rst
ixpk= 346, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 105, 106,
&end
#
# 6 GLN HB+ 6 GLN HG+ 2.20 (# 347:20 Unique 2.32, 2.74 A)
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 102, 103,
igr2= 105, 106,
&end
#
# 6 GLN HB+ 6 GLN HG- 2.20 (# 348:20 Unique 2.32, 2.74 A)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 102, 103,
igr2= 105, 106,
&end
#
# 6 GLN HB- 6 GLN HG- 2.20 (# 349:20 Unique 2.32, 2.74 A)
&rst
ixpk= 349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 102, 103,
igr2= 105, 106,
&end
#
# 6 GLN HB- 6 GLN HG+ 2.20 (# 350:20 Unique 2.32, 2.74 A)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 102, 103,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:351 6 GLN HG- 6.00 (# 351:20 Single Ambig)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 146, 147, 146, 147, 728, 260,
igr2= 105, 106,
&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= 6.67, r4= 7.17,
igr1= 146, 147, 146, 147, 728, 260,
igr2= 105, 106, 105, 106, 105, 106, 105, 106,
&end
#
# 15 VAL MGX 6 GLN HG+ 3.50 (# 353:20 Unique 2.38, 4.78 A)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 105, 106,
&end
#
# 45 LEU MDY 6 GLN HG+ 3.50 (# 354:20 Unique 3.97, 5.56 A)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 730, 731, 732, 734, 735, 736,
igr2= 105, 106,
&end
#
# 15 VAL MGX 6 GLN HG- 2.60 (# 355:20 Unique 2.38, 4.78 A)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 105, 106,
&end
#
# 45 LEU MDY 6 GLN HG- 3.50 (# 356:20 Unique 3.97, 5.56 A)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 730, 731, 732, 734, 735, 736,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:357 0 AMB 20-1:357 6.00 (# 357:20 Double Ambig)
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 702, 275,
igr2= 105, 106, 105, 106,
&end
#
# 0 AMB 20-2:358 6 GLN HG- 6.00 (# 358:20 Single Ambig)
&rst
ixpk= 358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 702, 275,
igr2= 105, 106,
&end
#
# 7 TYR HN 7 TYR HB- 6.00 (# 359:20 Unique 2.48, 3.19 A)
&rst
ixpk= 359, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 7 TYR HN 7 TYR HB+ 6.00 (# 360:20 Unique 2.48, 3.19 A)
&rst
ixpk= 360, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 0 AMB 20-2:361 0 AMB 20-1:361 3.50 (# 361:20 Double Ambig)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 123, 132, 479,
igr2= 119, 120, 119, 120,
&end
#
# 0 AMB 20-2:362 7 TYR HB- 3.50 (# 362:20 Single Ambig)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 123, 132, 479,
igr2= 119, 120,
&end
#
# 7 TYR HA 7 TYR HB+ 6.00 (# 363:20 Unique 2.51, 2.78 A)
&rst
ixpk= 363, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 7 TYR HA 7 TYR HB- 6.00 (# 364:20 Unique 2.51, 2.78 A)
&rst
ixpk= 364, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 16 ILE HG1+ 7 TYR HB+ 6.00 (# 365:20 Unique 2.31, 3.63 A)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 266, 267,
igr2= 119, 120,
&end
#
# 16 ILE HG1- 7 TYR HB+ 6.00 (# 366:20 Unique 2.31, 3.63 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 266, 267,
igr2= 119, 120,
&end
#
# 16 ILE HB 7 TYR HB+ 6.00 (# 367:20 Unique 2.42, 3.43 A)
&rst
ixpk= 367, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 0 AMB 20-2:368 0 AMB 20-1:368 6.00 (# 368:20 Double Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 616, 80, 81, 140, 141,
igr2= 119, 120, 119, 120, 119, 120,
&end
#
# 8 LYS HN 7 TYR HB+ 6.00 (# 369:20 Unique 3.30, 3.89 A)
&rst
ixpk= 369, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 8 LYS HN 7 TYR HB- 6.00 (# 370:20 Unique 3.30, 3.89 A)
&rst
ixpk= 370, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 119, 120,
&end
#
# 16 ILE MD1 7 TYR HB+ 6.00 (# 371:20 Unique 2.36, 3.62 A)
&rst
ixpk= 371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 269, 270, 271,
igr2= 119, 120,
&end
#
# 9 ASN HN 8 LYS HB- 6.00 (# 372:20 Unique 4.11, 4.34 A)
&rst
ixpk= 372, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 140, 141,
&end
#
# 8 LYS HN 8 LYS HB- 3.50 (# 373:20 Unique 2.59, 2.87 A)
&rst
ixpk= 373, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 140, 141,
&end
#
# 15 VAL HA 8 LYS HB+ 6.00 (# 374:20 Unique 3.71, 4.45 A)
&rst
ixpk= 374, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 140, 141,
&end
#
# 15 VAL HA 8 LYS HB- 6.00 (# 375:20 Unique 3.71, 4.45 A)
&rst
ixpk= 375, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 140, 141,
&end
#
# 8 LYS HA 8 LYS HB- 3.50 (# 376:20 Unique 2.40, 2.74 A)
&rst
ixpk= 376, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 140, 141,
&end
#
# 0 AMB 20-2:377 8 LYS HB- 6.00 (# 377:20 Single Ambig)
&rst
ixpk= 377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 149, 150, 149, 150,
igr2= 140, 141,
&end
#
# 0 AMB 20-2:378 8 LYS HB- 2.60 (# 378:20 Single Ambig)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 143, 144, 246, 247, 248, 250, 251, 252,
igr2= 140, 141,
&end
#
# 8 LYS HG+ 8 LYS HB- 2.60 (# 379:20 Unique 2.31, 2.76 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 143, 144,
igr2= 140, 141,
&end
#
# 9 ASN HN 8 LYS HG+ 6.00 (# 380:20 Unique 2.49, 3.39 A)
&rst
ixpk= 380, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 143, 144,
&end
#
# 9 ASN HN 8 LYS HG- 6.00 (# 381:20 Unique 2.49, 3.39 A)
&rst
ixpk= 381, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 143, 144,
&end
#
# 8 LYS HN 0 AMB 20-1:382 6.00 (# 382:20 Single Ambig)
&rst
ixpk= 382, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 143, 144, 176, 177,
&end
#
# 8 LYS HN 8 LYS HG- 6.00 (# 383:20 Unique 4.43, 4.56 A)
&rst
ixpk= 383, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 143, 144,
&end
#
# 15 VAL HA 8 LYS HG+ 6.00 (# 384:20 Unique 3.61, 4.56 A)
&rst
ixpk= 384, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 143, 144,
&end
#
# 8 LYS HA 8 LYS HG+ 3.50 (# 385:20 Unique 2.39, 2.92 A)
&rst
ixpk= 385, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 143, 144,
&end
#
# 8 LYS HA 8 LYS HG- 3.50 (# 386:20 Unique 2.39, 2.92 A)
&rst
ixpk= 386, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 143, 144,
&end
#
# 44 LEU HA 44 LEU MDY 6.00 (# 387:20 Unique 2.46, 3.97 A)
&rst
ixpk= 387, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:388 0 AMB 20-1:388 3.50 (# 388:20 Double Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 149, 150, 149, 150,
igr2= 143, 144, 143, 144,
&end
#
# 0 AMB 20-2:389 8 LYS HG- 2.60 (# 389:20 Single Ambig)
&rst
ixpk= 389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 149, 150, 149, 150,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:390 0 AMB 20-1:390 3.50 (# 390:20 Double Ambig)
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 173, 174, 173, 174,
igr2= 176, 177, 143, 144,
&end
#
# 0 AMB 20-2:391 0 AMB 20-1:391 3.50 (# 391:20 Double Ambig)
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 173, 174, 105, 106, 64,
igr2= 143, 144, 711, 712, 713, 715, 716, 717,
&end
#
# 8 LYS HB+ 8 LYS HG+ 2.60 (# 392:20 Unique 2.31, 2.76 A)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 140, 141,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:393 0 AMB 20-1:393 2.60 (# 393:20 Double Ambig)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 48, 49, 48, 49, 140, 141, 42, 43,
igr2= 711, 712, 713, 715, 716, 717, 143, 144,
&end
#
# 0 AMB 20-2:394 0 AMB 20-1:394 2.20 (# 394:20 Double Ambig)
&rst
ixpk= 394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 146, 147, 146, 147,
igr2= 143, 144, 143, 144,
&end
#
# 0 AMB 20-2:395 8 LYS HG- 2.20 (# 395:20 Single Ambig)
&rst
ixpk= 395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 146, 147, 146, 147,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:396 0 AMB 20-1:396 2.20 (# 396:20 Double Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 140, 141, 179, 180,
igr2= 143, 144, 176, 177,
&end
#
# 0 AMB 20-2:397 0 AMB 20-1:397 2.20 (# 397:20 Double Ambig)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 709, 140, 141, 706, 707, 706, 707,
igr2= 711, 712, 713, 715, 716, 717, 143, 144,
&end
#
# 16 ILE HN 0 AMB 20-1:398 6.00 (# 398:20 Single Ambig)
&rst
ixpk= 398, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 146, 147, 146, 147,
&end
#
# 9 ASN HN 0 AMB 20-1:399 6.00 (# 399:20 Single Ambig)
&rst
ixpk= 399, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 146, 147, 146, 147,
&end
#
# 8 LYS HN 0 AMB 20-1:400 6.00 (# 400:20 Single Ambig)
&rst
ixpk= 400, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 146, 147, 146, 147,
&end
#
# 15 VAL HA 0 AMB 20-1:401 6.00 (# 401:20 Single Ambig)
&rst
ixpk= 401, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 146, 147, 146, 147,
&end
#
# 8 LYS HA 0 AMB 20-1:402 3.50 (# 402:20 Single Ambig)
&rst
ixpk= 402, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 146, 147, 146, 147,
&end
#
# 0 AMB 20-2:403 0 AMB 20-1:403 2.20 (# 403:20 Double Ambig)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 149, 150, 149, 150, 149, 150,
igr2= 146, 147, 146, 147, 146, 147,
&end
#
# 0 AMB 20-2:404 0 AMB 20-1:404 2.20 (# 404:20 Double Ambig)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 140, 141, 140, 141,
igr2= 146, 147, 146, 147,
&end
#
# 8 LYS HB- 0 AMB 20-1:405 2.20 (# 405:20 Single Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 140, 141,
igr2= 146, 147, 146, 147,
&end
#
# 0 AMB 20-2:406 0 AMB 20-1:406 2.60 (# 406:20 Double Ambig)
&rst
ixpk= 406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 143, 144, 143, 144,
igr2= 146, 147, 146, 147,
&end
#
# 0 AMB 20-2:407 0 AMB 20-1:407 2.60 (# 407:20 Double Ambig)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 143, 144, 246, 247, 248, 250, 251, 252,
igr2= 146, 147, 146, 147, 146, 147,
&end
#
# 15 VAL MGY 0 AMB 20-1:408 2.20 (# 408:20 Single Ambig)
&rst
ixpk= 408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 146, 147, 146, 147,
&end
#
# 8 LYS HN 0 AMB 20-1:409 6.00 (# 409:20 Single Ambig)
&rst
ixpk= 409, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 149, 150, 149, 150,
&end
#
# 8 LYS HA 0 AMB 20-1:410 6.00 (# 410:20 Single Ambig)
&rst
ixpk= 410, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 149, 150, 149, 150,
&end
#
# 13 GLY HA- 0 AMB 20-1:411 3.50 (# 411:20 Single Ambig)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 220, 221,
igr2= 149, 150, 149, 150,
&end
#
# 0 AMB 20-2:412 0 AMB 20-1:412 6.00 (# 412:20 Double Ambig)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 244, 105, 106,
igr2= 149, 150, 149, 150, 149, 150,
&end
#
# 0 AMB 20-2:414 0 AMB 20-1:414 2.20 (# 414:20 Double Ambig)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 146, 147, 146, 147, 146, 147,
igr2= 149, 150, 149, 150, 149, 150,
&end
#
# 0 AMB 20-2:415 0 AMB 20-1:415 2.60 (# 415:20 Double Ambig)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 143, 144, 143, 144,
igr2= 149, 150, 149, 150,
&end
#
# 0 AMB 20-2:416 0 AMB 20-1:416 2.20 (# 416:20 Double Ambig)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 246, 247, 248, 250, 251, 252, 143, 144,
igr2= 149, 150, 149, 150, 149, 150,
&end
#
# 9 ASN HN 9 ASN HA 3.50 (# 417:20 Unique 2.91, 2.95 A)
&rst
ixpk= 417, nxpk= 20, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:418 9 ASN HA 6.00 (# 418:20 Single Ambig)
&rst
ixpk= 418, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 673, 186,
&end
#
# 11 HIS HD2 9 ASN HA 6.00 (# 419:20 Unique )
&rst
ixpk= 419, nxpk= 20, iat= 200, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:420 9 ASN HA 6.00 (# 420:20 Single Ambig)
&rst
ixpk= 420, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 479, 667,
&end
#
# 8 LYS HA 9 ASN HA 6.00 (# 422:20 Unique 4.36, 4.39 A)
&rst
ixpk= 422, nxpk= 20, iat= 138, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ASN HB+ 9 ASN HA 3.50 (# 423:20 Unique 2.39, 2.73 A)
&rst
ixpk= 423, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 162, 163,
&end
#
# 10 PRO HD+ 9 ASN HA 2.60 (# 424:20 Unique 1.99, 2.36 A)
&rst
ixpk= 424, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 173, 174,
&end
#
# 0 AMB 20-2:425 9 ASN HA 6.00 (# 425:20 Single Ambig)
&rst
ixpk= 425, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 179, 180, 140, 141,
&end
#
# 10 PRO HB- 9 ASN HA 6.00 (# 426:20 Unique 4.87, 5.34 A)
&rst
ixpk= 426, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 179, 180,
&end
#
# 0 AMB 20-2:427 9 ASN HA 4.30 (# 427:20 Single Ambig)
&rst
ixpk= 427, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 176, 177,
&end
#
# 9 ASN HB- 9 ASN HA 3.50 (# 428:20 Unique 2.39, 2.73 A)
&rst
ixpk= 428, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 162, 163,
&end
#
# 10 PRO HD- 9 ASN HA 3.50 (# 429:20 Unique 1.99, 2.36 A)
&rst
ixpk= 429, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 173, 174,
&end
#
# 10 PRO HG- 9 ASN HA 6.00 (# 430:20 Unique 4.12, 4.37 A)
&rst
ixpk= 430, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 176, 177,
&end
#
# 9 ASN HN 9 ASN HB+ 3.50 (# 431:20 Unique 2.43, 2.57 A)
&rst
ixpk= 431, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 162, 163,
&end
#
# 9 ASN HN 9 ASN HB- 3.50 (# 432:20 Unique 2.43, 2.57 A)
&rst
ixpk= 432, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:433 9 ASN HB- 6.00 (# 433:20 Single Ambig)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 225, 673, 186,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:434 0 AMB 20-1:434 3.50 (# 434:20 Double Ambig)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 225, 673, 186,
igr2= 162, 163, 162, 163, 162, 163,
&end
#
# 29 TRP HH2 9 ASN HB+ 6.00 (# 435:20 Unique 3.23, 3.59 A)
&rst
ixpk= 435, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:436 9 ASN HB- 6.00 (# 436:20 Single Ambig)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 557, 667,
igr2= 162, 163,
&end
#
# 29 TRP HZ2 9 ASN HB+ 6.00 (# 437:20 Unique 3.36, 3.59 A)
&rst
ixpk= 437, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:438 0 AMB 20-1:438 6.00 (# 438:20 Double Ambig)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 138, 466,
igr2= 162, 163, 162, 163,
&end
#
# 9 ASN HA 9 ASN HB+ 6.00 (# 439:20 Unique 2.39, 2.73 A)
&rst
ixpk= 439, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 162, 163,
&end
#
# 9 ASN HA 9 ASN HB- 6.00 (# 440:20 Unique 2.39, 2.73 A)
&rst
ixpk= 440, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:441 0 AMB 20-1:441 6.00 (# 441:20 Double Ambig)
&rst
ixpk= 441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 210, 211, 212, 143, 144,
igr2= 162, 163, 162, 163,
&end
#
# 13 GLY HN 10 PRO HA 6.00 (# 442:20 Unique 3.93, 4.07 A)
&rst
ixpk= 442, nxpk= 20, iat= 218, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:443 10 PRO HA 6.00 (# 443:20 Single Ambig)
&rst
ixpk= 443, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 186, 225,
&end
#
# 12 THR HN 10 PRO HA 6.00 (# 444:20 Unique 3.94, 4.05 A)
&rst
ixpk= 444, nxpk= 20, iat= 204, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:445 10 PRO HA 6.00 (# 445:20 Single Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 149, 150, 149, 150,
&end
#
# 10 PRO HD+ 10 PRO HA 3.50 (# 446:20 Unique 3.33, 3.73 A)
&rst
ixpk= 446, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 173, 174,
&end
#
# 10 PRO HB+ 10 PRO HA 2.60 (# 447:20 Unique 2.26, 2.56 A)
&rst
ixpk= 447, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 179, 180,
&end
#
# 10 PRO HB- 10 PRO HA 2.60 (# 448:20 Unique 2.26, 2.56 A)
&rst
ixpk= 448, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 179, 180,
&end
#
# 0 AMB 20-2:449 10 PRO HA 3.50 (# 449:20 Single Ambig)
&rst
ixpk= 449, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177, 143, 144,
&end
#
# 10 PRO HD- 10 PRO HA 6.00 (# 450:20 Unique 3.33, 3.73 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 173, 174,
&end
#
# 10 PRO HG- 10 PRO HA 6.00 (# 451:20 Unique 2.86, 3.83 A)
&rst
ixpk= 451, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 176, 177,
&end
#
# 11 HIS HN 10 PRO HB+ 6.00 (# 452:20 Unique 2.96, 4.02 A)
&rst
ixpk= 452, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 11 HIS HN 10 PRO HB- 6.00 (# 453:20 Unique 2.96, 4.02 A)
&rst
ixpk= 453, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 10 PRO HA 10 PRO HB+ 2.60 (# 454:20 Unique 2.26, 2.56 A)
&rst
ixpk= 454, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 179, 180,
&end
#
# 10 PRO HA 10 PRO HB- 2.60 (# 455:20 Unique 2.26, 2.56 A)
&rst
ixpk= 455, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 179, 180,
&end
#
# 10 PRO HD+ 10 PRO HB- 3.50 (# 456:20 Unique 2.77, 3.66 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 173, 174,
igr2= 179, 180,
&end
#
# 10 PRO HG+ 10 PRO HB- 3.50 (# 457:20 Unique 2.38, 2.63 A)
&rst
ixpk= 457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
igr2= 179, 180,
&end
#
# 10 PRO HG+ 10 PRO HB+ 3.50 (# 458:20 Unique 2.38, 2.63 A)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
igr2= 179, 180,
&end
#
# 10 PRO HD- 10 PRO HB- 6.00 (# 459:20 Unique 2.77, 3.66 A)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 173, 174,
igr2= 179, 180,
&end
#
# 10 PRO HD- 10 PRO HB+ 6.00 (# 460:20 Unique 2.77, 3.66 A)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 173, 174,
igr2= 179, 180,
&end
#
# 10 PRO HG- 10 PRO HB+ 3.50 (# 461:20 Unique 2.38, 2.63 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
igr2= 179, 180,
&end
#
# 10 PRO HG- 10 PRO HB- 3.50 (# 462:20 Unique 2.38, 2.63 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
igr2= 179, 180,
&end
#
# 41 TRP HE1 10 PRO HG- 6.00 (# 463:20 Unique 3.19, 3.93 A)
&rst
ixpk= 463, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 41 TRP HE1 10 PRO HG+ 6.00 (# 464:20 Unique 3.19, 3.93 A)
&rst
ixpk= 464, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 11 HIS HN 10 PRO HG+ 6.00 (# 465:20 Unique 2.89, 3.96 A)
&rst
ixpk= 465, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 11 HIS HN 10 PRO HG- 6.00 (# 466:20 Unique 2.89, 3.96 A)
&rst
ixpk= 466, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 10 PRO HA 10 PRO HG- 6.00 (# 467:20 Unique 2.86, 3.83 A)
&rst
ixpk= 467, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 10 PRO HA 10 PRO HG+ 3.50 (# 468:20 Unique 2.86, 3.83 A)
&rst
ixpk= 468, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 176, 177,
&end
#
# 9 ASN HA 10 PRO HG- 6.00 (# 469:20 Unique 4.12, 4.37 A)
&rst
ixpk= 469, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 9 ASN HA 10 PRO HG+ 6.00 (# 470:20 Unique 4.12, 4.37 A)
&rst
ixpk= 470, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 10 PRO HD+ 10 PRO HG- 3.50 (# 471:20 Unique 2.27, 2.59 A)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 10 PRO HD+ 10 PRO HG+ 3.50 (# 472:20 Unique 2.27, 2.59 A)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 10 PRO HB+ 10 PRO HG- 3.50 (# 473:20 Unique 2.38, 2.63 A)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 179, 180,
igr2= 176, 177,
&end
#
# 0 AMB 20-2:474 0 AMB 20-1:474 2.20 (# 474:20 Double Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 140, 141, 179, 180,
igr2= 143, 144, 176, 177,
&end
#
# 10 PRO HB- 10 PRO HG+ 2.60 (# 475:20 Unique 2.38, 2.63 A)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 179, 180,
igr2= 176, 177,
&end
#
# 10 PRO HB- 10 PRO HG- 3.50 (# 476:20 Unique 2.38, 2.63 A)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 179, 180,
igr2= 176, 177,
&end
#
# 10 PRO HD- 10 PRO HG- 2.60 (# 477:20 Unique 2.27, 2.59 A)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 10 PRO HD- 10 PRO HG+ 6.00 (# 478:20 Unique 2.27, 2.59 A)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 41 TRP HE1 10 PRO HD+ 6.00 (# 479:20 Unique 3.98, 4.58 A)
&rst
ixpk= 479, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:480 0 AMB 20-1:480 6.00 (# 480:20 Double Ambig)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 186, 673,
igr2= 173, 174, 173, 174,
&end
#
# 0 AMB 20-2:481 10 PRO HD- 6.00 (# 481:20 Single Ambig)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 186, 673,
igr2= 173, 174,
&end
#
# 11 HIS HD2 10 PRO HD- 6.00 (# 482:20 Unique)
&rst
ixpk= 482, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 173, 174,
&end
#
# 11 HIS HD2 10 PRO HD+ 6.00 (# 483:20 Unique)
&rst
ixpk= 483, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 173, 174,
&end
#
# 29 TRP HH2 10 PRO HD- 6.00 (# 484:20 Unique 6.33, 6.75 A)
&rst
ixpk= 484, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:485 0 AMB 20-1:485 6.00 (# 485:20 Double Ambig)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 667, 479,
igr2= 173, 174, 173, 174,
&end
#
# 10 PRO HA 10 PRO HD+ 6.00 (# 486:20 Unique 3.33, 3.73 A)
&rst
ixpk= 486, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 173, 174,
&end
#
# 9 ASN HA 10 PRO HD+ 3.50 (# 487:20 Unique 1.99, 2.36 A)
&rst
ixpk= 487, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 173, 174,
&end
#
# 9 ASN HA 10 PRO HD- 3.50 (# 488:20 Unique 1.99, 2.36 A)
&rst
ixpk= 488, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:489 10 PRO HD- 6.00 (# 489:20 Single Ambig)
&rst
ixpk= 489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 179, 180, 140, 141,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:490 0 AMB 20-1:490 6.00 (# 490:20 Double Ambig)
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 179, 180, 140, 141,
igr2= 173, 174, 173, 174,
&end
#
# 10 PRO HB- 10 PRO HD+ 6.00 (# 491:20 Unique 2.77, 3.66 A)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 179, 180,
igr2= 173, 174,
&end
#
# 10 PRO HB- 10 PRO HD- 6.00 (# 492:20 Unique 2.77, 3.66 A)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 179, 180,
igr2= 173, 174,
&end
#
# 10 PRO HG+ 10 PRO HD- 3.50 (# 493:20 Unique 2.27, 2.59 A)
&rst
ixpk= 493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
igr2= 173, 174,
&end
#
# 10 PRO HG+ 10 PRO HD+ 3.50 (# 494:20 Unique 2.27, 2.59 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:495 10 PRO HD- 6.00 (# 495:20 Single Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 143, 144, 162, 163,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:496 0 AMB 20-1:496 6.00 (# 496:20 Double Ambig)
&rst
ixpk= 496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 143, 144, 162, 163,
igr2= 173, 174, 173, 174,
&end
#
# 10 PRO HG- 10 PRO HD+ 3.50 (# 497:20 Unique 2.27, 2.59 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
igr2= 173, 174,
&end
#
# 10 PRO HG- 10 PRO HD- 6.00 (# 498:20 Unique 2.27, 2.59 A)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 176, 177,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:499 11 HIS HA 4.30 (# 499:20 Single Ambig)
&rst
ixpk= 499, nxpk= 20, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 210, 211, 212,
&end
#
# 11 HIS HB- 11 HIS HA 3.50 (# 500:20 Unique 2.43, 2.76 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 190, 191,
&end
#
# 11 HIS HB+ 11 HIS HA 2.60 (# 501:20 Unique 2.43, 2.76 A)
&rst
ixpk= 501, nxpk= 20, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 190, 191,
&end
#
# 12 THR HN 11 HIS HA 3.50 (# 503:20 Unique 3.43, 3.45 A)
&rst
ixpk= 503, nxpk= 20, iat= 204, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 HIS HN 11 HIS HA 3.50 (# 504:20 Unique 2.92, 2.94 A)
&rst
ixpk= 504, nxpk= 20, iat= 186, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 HIS HN 11 HIS HB+ 3.50 (# 505:20 Unique 2.36, 3.02 A)
&rst
ixpk= 505, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 190, 191,
&end
#
# 11 HIS HN 11 HIS HB- 6.00 (# 506:20 Unique 2.36, 3.02 A)
&rst
ixpk= 506, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 190, 191,
&end
#
# 33 TRP HZ2 11 HIS HB+ 6.00 (# 507:20 Unique 2.73, 2.99 A)
&rst
ixpk= 507, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 190, 191,
&end
#
# 12 THR HN 11 HIS HB+ 6.00 (# 508:20 Unique 3.15, 3.72 A)
&rst
ixpk= 508, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 190, 191,
&end
#
# 12 THR HN 11 HIS HB- 6.00 (# 509:20 Unique 3.15, 3.72 A)
&rst
ixpk= 509, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 190, 191,
&end
#
# 11 HIS HA 11 HIS HB+ 3.50 (# 512:20 Unique 2.43, 2.76 A)
&rst
ixpk= 512, nxpk= 20, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 190, 191,
&end
#
# 11 HIS HA 11 HIS HB- 3.50 (# 513:20 Unique 2.43, 2.76 A)
&rst
ixpk= 513, nxpk= 20, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 190, 191,
&end
#
# 0 AMB 20-2:514 0 AMB 20-1:514 3.50 (# 514:20 Double Ambig)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 210, 211, 212,
igr2= 190, 191,
&end
#
# 0 AMB 20-2:515 11 HIS HB- 3.50 (# 515:20 Single Ambig)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 210, 211, 212,
igr2= 190, 191,
&end
#
# 13 GLY HN 12 THR HA 6.00 (# 516:20 Unique 3.49, 3.50 A)
&rst
ixpk= 516, nxpk= 20, iat= 218, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:517 12 THR HA 6.00 (# 517:20 Single Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 225, 186,
&end
#
# 12 THR HN 12 THR HA 3.50 (# 518:20 Unique 3.01, 3.02 A)
&rst
ixpk= 518, nxpk= 20, iat= 204, 206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 THR HB 12 THR HA 2.60 (# 519:20 Unique 2.38, 2.40 A)
&rst
ixpk= 519, nxpk= 20, iat= 208, 206, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:520 12 THR HA 6.00 (# 520:20 Single Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 232, 233, 232, 233,
&end
#
# 12 THR MG2 12 THR HA 2.60 (# 521:20 Unique 2.60, 3.26 A)
&rst
ixpk= 521, nxpk= 20, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 210, 211, 212,
&end
#
# 13 GLY HN 12 THR HB 6.00 (# 522:20 Unique 3.77, 3.82 A)
&rst
ixpk= 522, nxpk= 20, iat= 218, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HN 12 THR HB 6.00 (# 523:20 Unique 3.21, 3.36 A)
&rst
ixpk= 523, nxpk= 20, iat= 225, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HN 12 THR HB 6.00 (# 524:20 Unique 3.82, 3.84 A)
&rst
ixpk= 524, nxpk= 20, iat= 204, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HA 12 THR HB 2.60 (# 525:20 Unique 2.38, 2.40 A)
&rst
ixpk= 525, nxpk= 20, iat= 206, 208, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:526 12 THR HB 3.50 (# 526:20 Single Ambig)
&rst
ixpk= 526, nxpk= 20, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 232, 233, 232, 233,
&end
#
# 14 GLU HB- 12 THR HB 6.00 (# 527:20 Unique 3.62, 4.65 A)
&rst
ixpk= 527, nxpk= 20, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 229, 230,
&end
#
# 12 THR MG2 12 THR HB 2.20 (# 528:20 Unique 2.40, 2.67 A)
&rst
ixpk= 528, nxpk= 20, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 210, 211, 212,
&end
#
# 14 GLU HB+ 12 THR HB 6.00 (# 529:20 Unique 3.62, 4.65 A)
&rst
ixpk= 529, nxpk= 20, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 229, 230,
&end
#
# 29 TRP HE1 12 THR MG2 6.00 (# 530:20 Unique 3.75, 5.17 A)
&rst
ixpk= 530, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 210, 211, 212,
&end
#
# 13 GLY HN 12 THR MG2 4.30 (# 531:20 Unique 3.93, 4.55 A)
&rst
ixpk= 531, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 210, 211, 212,
&end
#
# 29 TRP HZ2 12 THR MG2 6.00 (# 532:20 Unique 5.25, 6.37 A)
&rst
ixpk= 532, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 210, 211, 212,
&end
#
# 0 AMB 20-2:533 12 THR MG2 3.50 (# 533:20 Single Ambig)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 186, 225,
igr2= 210, 211, 212,
&end
#
# 33 TRP HZ2 12 THR MG2 6.00 (# 534:20 Unique 3.37, 3.84 A)
&rst
ixpk= 534, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 210, 211, 212,
&end
#
# 33 TRP HH2 12 THR MG2 3.50 (# 535:20 Unique 2.33, 2.78 A)
&rst
ixpk= 535, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 210, 211, 212,
&end
#
# 33 TRP HZ3 12 THR MG2 6.00 (# 536:20 Unique 3.83, 4.62 A)
&rst
ixpk= 536, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 210, 211, 212,
&end
#
# 12 THR HN 12 THR MG2 2.60 (# 537:20 Unique 2.67, 3.51 A)
&rst
ixpk= 537, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 210, 211, 212,
&end
#
# 12 THR HA 12 THR MG2 2.60 (# 539:20 Unique 2.60, 3.26 A)
&rst
ixpk= 539, nxpk= 20, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 210, 211, 212,
&end
#
# 12 THR HB 12 THR MG2 2.20 (# 540:20 Unique 2.40, 2.67 A)
&rst
ixpk= 540, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 210, 211, 212,
&end
#
# 11 HIS HB+ 12 THR MG2 3.50 (# 541:20 Unique 2.49, 3.91 A)
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 190, 191,
igr2= 210, 211, 212,
&end
#
# 11 HIS HB- 12 THR MG2 3.50 (# 542:20 Unique 2.49, 3.91 A)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 190, 191,
igr2= 210, 211, 212,
&end
#
# 14 GLU HB+ 12 THR MG2 6.00 (# 543:20 Unique 4.21, 5.75 A)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 229, 230,
igr2= 210, 211, 212,
&end
#
# 0 AMB 20-2:544 12 THR MG2 3.50 (# 544:20 Single Ambig)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 232, 233, 232, 233,
igr2= 210, 211, 212,
&end
#
# 14 GLU HA 12 THR MG2 6.00 (# 545:20 Unique 6.66, 7.24 A)
&rst
ixpk= 545, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 210, 211, 212,
&end
#
# 13 GLY HN 13 GLY HA+ 2.60 (# 546:20 Unique 2.38, 2.69 A)
&rst
ixpk= 546, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 220, 221,
&end
#
# 13 GLY HN 13 GLY HA- 2.60 (# 547:20 Unique 2.38, 2.69 A)
&rst
ixpk= 547, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 220, 221,
&end
#
# 14 GLU HN 13 GLY HA- 3.50 (# 548:20 Unique 3.21, 3.34 A)
&rst
ixpk= 548, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 220, 221,
&end
#
# 14 GLU HN 13 GLY HA+ 3.50 (# 549:20 Unique 3.21, 3.34 A)
&rst
ixpk= 549, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 220, 221,
&end
#
# 12 THR HN 13 GLY HA+ 6.00 (# 550:20 Unique 4.08, 4.39 A)
&rst
ixpk= 550, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 220, 221,
&end
#
# 12 THR HN 13 GLY HA- 6.00 (# 551:20 Unique 4.08, 4.39 A)
&rst
ixpk= 551, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:552 0 AMB 20-1:552 6.00 (# 552:20 Double Ambig)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 149, 150, 149, 150,
igr2= 220, 221, 220, 221,
&end
#
# 0 AMB 20-2:553 13 GLY HA- 6.00 (# 553:20 Single Ambig)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 149, 150, 149, 150,
igr2= 220, 221,
&end
#
# 9 ASN HB+ 13 GLY HA+ 6.00 (# 554:20 Unique 4.56, 6.03 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 162, 163,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:555 0 AMB 20-1:555 6.00 (# 555:20 Double Ambig)
&rst
ixpk= 555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 146, 147, 146, 147,
igr2= 220, 221, 220, 221,
&end
#
# 0 AMB 20-2:556 13 GLY HA- 6.00 (# 556:20 Single Ambig)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 146, 147, 146, 147,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:557 13 GLY HA- 6.00 (# 557:20 Single Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 143, 144, 210, 211, 212,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:558 0 AMB 20-1:558 6.00 (# 558:20 Double Ambig)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 143, 144, 210, 211, 212,
igr2= 220, 221, 220, 221,
&end
#
# 0 AMB 20-2:559 0 AMB 20-1:559 6.00 (# 559:20 Double Ambig)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
igr1= 143, 144, 162, 163, 246, 247, 248, 250, 251, 252,
igr2= 220, 221, 220, 221, 220, 221,
&end
#
# 0 AMB 20-2:560 13 GLY HA- 6.00 (# 560:20 Single Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 143, 144, 162, 163, 246, 247, 248, 250, 251, 252,
igr2= 220, 221,
&end
#
# 9 ASN HN 14 GLU HA 6.00 (# 562:20 Unique 4.91, 5.02 A)
&rst
ixpk= 562, nxpk= 20, iat= 158, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HN 14 GLU HA 2.20 (# 564:20 Unique 2.22, 2.24 A)
&rst
ixpk= 564, nxpk= 20, iat= 240, 227, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 13 GLY HN 14 GLU HA 6.00 (# 565:20 Unique 5.06, 5.09 A)
&rst
ixpk= 565, nxpk= 20, iat= 218, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HN 14 GLU HA 3.50 (# 566:20 Unique 2.91, 2.93 A)
&rst
ixpk= 566, nxpk= 20, iat= 225, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 TRP HZ2 14 GLU HA 6.00 (# 567:20 Unique 4.20, 4.33 A)
&rst
ixpk= 567, nxpk= 20, iat= 477, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HH2 14 GLU HA 6.00 (# 568:20 Unique 5.04, 5.12 A)
&rst
ixpk= 568, nxpk= 20, iat= 479, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HA 14 GLU HA 6.00 (# 569:20 Unique 4.47, 4.49 A)
&rst
ixpk= 569, nxpk= 20, iat= 242, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:570 14 GLU HA 2.60 (# 570:20 Single Ambig)
&rst
ixpk= 570, nxpk= 20, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 232, 233, 232, 233,
&end
#
# 14 GLU HB+ 14 GLU HA 2.60 (# 571:20 Unique 2.50, 2.78 A)
&rst
ixpk= 571, nxpk= 20, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 229, 230,
&end
#
# 14 GLU HB- 14 GLU HA 3.50 (# 573:20 Unique 2.50, 2.78 A)
&rst
ixpk= 573, nxpk= 20, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 229, 230,
&end
#
# 15 VAL HB 14 GLU HA 6.00 (# 574:20 Unique 4.48, 4.53 A)
&rst
ixpk= 574, nxpk= 20, iat= 244, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL MGY 14 GLU HA 3.50 (# 575:20 Unique 3.34, 5.45 A)
&rst
ixpk= 575, nxpk= 20, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 29 TRP HE1 14 GLU HB- 6.00 (# 576:20 Unique 3.10, 3.66 A)
&rst
ixpk= 576, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 229, 230,
&end
#
# 15 VAL HN 14 GLU HB- 3.50 (# 577:20 Unique 2.68, 3.37 A)
&rst
ixpk= 577, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 229, 230,
&end
#
# 15 VAL HN 14 GLU HB+ 3.50 (# 578:20 Unique 2.68, 3.37 A)
&rst
ixpk= 578, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 229, 230,
&end
#
# 14 GLU HN 14 GLU HB- 3.50 (# 579:20 Unique 2.29, 2.96 A)
&rst
ixpk= 579, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 229, 230,
&end
#
# 14 GLU HN 14 GLU HB+ 3.50 (# 580:20 Unique 2.29, 2.96 A)
&rst
ixpk= 580, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 229, 230,
&end
#
# 29 TRP HZ2 14 GLU HB+ 3.50 (# 581:20 Unique 2.12, 2.23 A)
&rst
ixpk= 581, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 229, 230,
&end
#
# 29 TRP HZ2 14 GLU HB- 3.50 (# 582:20 Unique 2.12, 2.23 A)
&rst
ixpk= 582, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 229, 230,
&end
#
# 29 TRP HH2 14 GLU HB- 3.50 (# 583:20 Unique 3.86, 3.97 A)
&rst
ixpk= 583, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 229, 230,
&end
#
# 29 TRP HH2 14 GLU HB+ 3.50 (# 584:20 Unique 3.86, 3.97 A)
&rst
ixpk= 584, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 229, 230,
&end
#
# 14 GLU HA 14 GLU HB- 2.60 (# 586:20 Unique 2.50, 2.78 A)
&rst
ixpk= 586, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 229, 230,
&end
#
# 14 GLU HA 14 GLU HB+ 2.60 (# 587:20 Unique 2.50, 2.78 A)
&rst
ixpk= 587, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 229, 230,
&end
#
# 0 AMB 20-2:588 0 AMB 20-1:588 2.20 (# 588:20 Double Ambig)
&rst
ixpk= 588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 232, 233, 232, 233,
igr2= 229, 230, 229, 230,
&end
#
# 0 AMB 20-2:589 0 AMB 20-1:589 6.00 (# 589:20 Double Ambig)
&rst
ixpk= 589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 210, 211, 212, 143, 144,
igr2= 229, 230, 229, 230,
&end
#
# 0 AMB 20-2:590 0 AMB 20-1:590 6.00 (# 590:20 Double Ambig)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 266, 267, 246, 247, 248, 250, 251, 252,
igr2= 229, 230, 229, 230,
&end
#
# 25 THR MG2 14 GLU HB+ 6.00 (# 591:20 Unique 3.27, 4.50 A)
&rst
ixpk= 591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 400, 401, 402,
igr2= 229, 230,
&end
#
# 25 THR MG2 14 GLU HB- 6.00 (# 592:20 Unique 3.27, 4.50 A)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 400, 401, 402,
igr2= 229, 230,
&end
#
# 15 VAL MGX 14 GLU HB- 6.00 (# 593:20 Unique 4.97, 6.65 A)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 229, 230,
&end
#
# 36 GLU HN 36 GLU HG+ 3.50 (# 594:20 Unique 1.82, 2.30 A)
&rst
ixpk= 594, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 594, 595,
&end
#
# 37 ALA HN 36 GLU HG+ 3.50 (# 595:20 Unique 3.70, 4.16 A)
&rst
ixpk= 595, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 594, 595,
&end
#
# 14 GLU HN 0 AMB 20-1:596 2.60 (# 596:20 Single Ambig)
&rst
ixpk= 596, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 232, 233, 232, 233,
&end
#
# 29 TRP HZ2 0 AMB 20-1:597 3.50 (# 597:20 Single Ambig)
&rst
ixpk= 597, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 232, 233, 232, 233,
&end
#
# 29 TRP HH2 0 AMB 20-1:598 6.00 (# 598:20 Single Ambig)
&rst
ixpk= 598, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 232, 233, 232, 233,
&end
#
# 12 THR HA 0 AMB 20-1:600 6.00 (# 600:20 Single Ambig)
&rst
ixpk= 600, nxpk= 20, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 232, 233, 232, 233,
&end
#
# 14 GLU HA 0 AMB 20-1:601 2.20 (# 601:20 Single Ambig)
&rst
ixpk= 601, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr2= 232, 233, 232, 233,
&end
#
# 12 THR HB 0 AMB 20-1:602 3.50 (# 602:20 Single Ambig)
&rst
ixpk= 602, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 232, 233, 232, 233,
&end
#
# 0 AMB 20-2:603 0 AMB 20-1:603 2.20 (# 603:20 Double Ambig)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 229, 230, 591, 592, 577, 578,
igr2= 232, 233, 232, 233, 594, 595, 594, 595,
&end
#
# 12 THR MG2 0 AMB 20-1:604 3.50 (# 604:20 Single Ambig)
&rst
ixpk= 604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 210, 211, 212,
igr2= 232, 233, 232, 233,
&end
#
# 25 THR MG2 0 AMB 20-1:606 3.50 (# 606:20 Single Ambig)
&rst
ixpk= 606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 400, 401, 402,
igr2= 232, 233, 232, 233,
&end
#
# 7 TYR HN 15 VAL HA 6.00 (# 607:20 Unique 4.42, 4.50 A)
&rst
ixpk= 607, nxpk= 20, iat= 115, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ILE HN 15 VAL HA 2.60 (# 608:20 Unique 2.19, 2.21 A)
&rst
ixpk= 608, nxpk= 20, iat= 256, 242, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 9 ASN HN 15 VAL HA 3.50 (# 609:20 Unique 3.38, 3.50 A)
&rst
ixpk= 609, nxpk= 20, iat= 158, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 VAL HN 15 VAL HA 3.50 (# 611:20 Unique 2.95, 2.96 A)
&rst
ixpk= 611, nxpk= 20, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 TRP HH2 15 VAL HA 6.00 (# 612:20 Unique 2.22, 2.31 A)
&rst
ixpk= 612, nxpk= 20, iat= 479, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LYS HA 15 VAL HA 2.60 (# 613:20 Unique 2.27, 2.35 A)
&rst
ixpk= 613, nxpk= 20, iat= 138, 242, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:614 15 VAL HA 6.00 (# 614:20 Single Ambig)
&rst
ixpk= 614, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 229, 230, 105, 106,
&end
#
# 0 AMB 20-2:615 15 VAL HA 6.00 (# 615:20 Single Ambig)
&rst
ixpk= 615, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 232, 233, 232, 233,
&end
#
# 0 AMB 20-2:616 15 VAL HA 3.50 (# 616:20 Single Ambig)
&rst
ixpk= 616, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 244, 105, 106,
&end
#
# 8 LYS HB+ 15 VAL HA 6.00 (# 617:20 Unique 3.71, 4.45 A)
&rst
ixpk= 617, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 140, 141,
&end
#
# 0 AMB 20-2:618 15 VAL HA 4.30 (# 618:20 Single Ambig)
&rst
ixpk= 618, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 146, 147, 146, 147, 260,
&end
#
# 16 ILE HG1- 15 VAL HA 6.00 (# 619:20 Unique 3.18, 3.60 A)
&rst
ixpk= 619, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 266, 267,
&end
#
# 8 LYS HG+ 15 VAL HA 6.00 (# 620:20 Unique 3.61, 4.56 A)
&rst
ixpk= 620, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 143, 144,
&end
#
# 0 AMB 20-2:621 15 VAL HA 2.60 (# 621:20 Single Ambig)
&rst
ixpk= 621, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 246, 247, 248, 250, 251, 252, 266, 267,
&end
#
# 0 AMB 20-2:622 15 VAL HA 2.20 (# 622:20 Single Ambig)
&rst
ixpk= 622, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 246, 247, 248, 250, 251, 252, 143, 144,
&end
#
# 0 AMB 20-2:623 15 VAL HA 6.00 (# 623:20 Single Ambig)
&rst
ixpk= 623, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 262, 263, 264, 400, 401, 402,
&end
#
# 16 ILE HN 15 VAL HB 3.50 (# 624:20 Unique 3.61, 3.64 A)
&rst
ixpk= 624, nxpk= 20, iat= 256, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 VAL HN 15 VAL HB 2.60 (# 625:20 Unique 2.67, 2.68 A)
&rst
ixpk= 625, nxpk= 20, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 15 VAL HA 15 VAL HB 3.50 (# 626:20 Unique 3.00, 3.01 A)
&rst
ixpk= 626, nxpk= 20, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LYS HA 15 VAL HB 6.00 (# 627:20 Unique 4.79, 4.87 A)
&rst
ixpk= 627, nxpk= 20, iat= 138, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HA 15 VAL HB 6.00 (# 628:20 Unique 4.48, 4.53 A)
&rst
ixpk= 628, nxpk= 20, iat= 227, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:629 15 VAL HB 6.00 (# 629:20 Single Ambig)
&rst
ixpk= 629, nxpk= 20, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 105, 106, 229, 230, 282, 283,
&end
#
# 0 AMB 20-2:630 15 VAL HB 6.00 (# 630:20 Single Ambig)
&rst
ixpk= 630, nxpk= 20, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 146, 147, 146, 147, 260,
&end
#
# 8 LYS HB- 15 VAL HB 6.00 (# 631:20 Unique 5.02, 6.02 A)
&rst
ixpk= 631, nxpk= 20, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 140, 141,
&end
#
# 8 LYS HB+ 15 VAL HB 6.00 (# 632:20 Unique 5.02, 6.02 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 140, 141,
&end
#
# 8 LYS HG+ 15 VAL HB 6.00 (# 633:20 Unique 4.31, 5.91 A)
&rst
ixpk= 633, nxpk= 20, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 143, 144,
&end
#
# 16 ILE HG1- 15 VAL HB 6.00 (# 634:20 Unique 5.55, 5.66 A)
&rst
ixpk= 634, nxpk= 20, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 266, 267,
&end
#
# 15 VAL MGX 15 VAL HB 2.20 (# 635:20 Unique 2.34, 2.66 A)
&rst
ixpk= 635, nxpk= 20, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 15 VAL MGY 15 VAL HB 2.20 (# 636:20 Unique 2.34, 2.66 A)
&rst
ixpk= 636, nxpk= 20, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 7 TYR HN 15 VAL MGX 3.50 (# 637:20 Unique 3.54, 5.47 A)
&rst
ixpk= 637, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 7 TYR HN 15 VAL MGY 6.00 (# 638:20 Unique 3.54, 5.47 A)
&rst
ixpk= 638, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 16 ILE HN 15 VAL MGX 2.60 (# 639:20 Unique 2.27, 3.82 A)
&rst
ixpk= 639, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 16 ILE HN 15 VAL MGY 6.00 (# 640:20 Unique 2.27, 3.82 A)
&rst
ixpk= 640, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 9 ASN HN 15 VAL MGY 3.50 (# 643:20 Unique 3.74, 5.35 A)
&rst
ixpk= 643, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 9 ASN HN 15 VAL MGX 6.00 (# 644:20 Unique 3.74, 5.35 A)
&rst
ixpk= 644, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 17 GLU HN 15 VAL MGX 6.00 (# 646:20 Unique 5.17, 7.42 A)
&rst
ixpk= 646, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 15 VAL HN 15 VAL MGX 6.00 (# 647:20 Unique 2.75, 4.17 A)
&rst
ixpk= 647, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 15 VAL HN 15 VAL MGY 3.50 (# 648:20 Unique 2.75, 4.17 A)
&rst
ixpk= 648, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 6 GLN HE2+ 15 VAL MGX 3.50 (# 649:20 Unique 2.57, 4.60 A)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 110, 111,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 6 GLN HE2+ 15 VAL MGY 6.00 (# 650:20 Unique 2.57, 4.60 A)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 110, 111,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 8 LYS HN 15 VAL MGY 6.00 (# 651:20 Unique 4.52, 6.07 A)
&rst
ixpk= 651, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 8 LYS HN 15 VAL MGX 6.00 (# 652:20 Unique 4.52, 6.07 A)
&rst
ixpk= 652, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 14 GLU HN 15 VAL MGX 6.00 (# 653:20 Unique 4.95, 6.82 A)
&rst
ixpk= 653, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 14 GLU HN 15 VAL MGY 6.00 (# 654:20 Unique 4.95, 6.82 A)
&rst
ixpk= 654, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 29 TRP HH2 15 VAL MGX 6.00 (# 655:20 Unique 4.22, 5.16 A)
&rst
ixpk= 655, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 29 TRP HH2 15 VAL MGY 6.00 (# 657:20 Unique 4.22, 5.16 A)
&rst
ixpk= 657, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 6 GLN HE2- 15 VAL MGY 6.00 (# 658:20 Unique 2.57, 4.60 A)
&rst
ixpk= 658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 110, 111,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 6 GLN HE2- 15 VAL MGX 3.50 (# 659:20 Unique 2.57, 4.60 A)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 110, 111,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 15 VAL HA 15 VAL MGX 2.20 (# 660:20 Unique 2.48, 3.17 A)
&rst
ixpk= 660, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 15 VAL HA 15 VAL MGY 2.60 (# 661:20 Unique 2.48, 3.17 A)
&rst
ixpk= 661, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 8 LYS HA 15 VAL MGX 3.50 (# 662:20 Unique 2.63, 3.98 A)
&rst
ixpk= 662, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 8 LYS HA 15 VAL MGY 2.60 (# 663:20 Unique 2.63, 3.98 A)
&rst
ixpk= 663, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 14 GLU HA 15 VAL MGY 3.50 (# 664:20 Unique 3.34, 5.45 A)
&rst
ixpk= 664, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 43 THR HB 15 VAL MGX 6.00 (# 665:20 Unique 6.09, 7.74 A)
&rst
ixpk= 665, nxpk= 20, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 20-2:666 15 VAL MGY 2.60 (# 666:20 Single Ambig)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 149, 150, 149, 150,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 20-2:667 15 VAL MGX 3.50 (# 667:20 Single Ambig)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 149, 150, 149, 150,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 20-2:668 15 VAL MGY 3.50 (# 668:20 Single Ambig)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 105, 106, 282, 283,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 9 ASN HB+ 15 VAL MGX 6.00 (# 669:20 Unique 5.70, 7.50 A)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 162, 163,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 20-2:670 15 VAL MGX 2.20 (# 670:20 Single Ambig)
&rst
ixpk= 670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 105, 106, 282, 283,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 9 ASN HB+ 15 VAL MGY 6.00 (# 671:20 Unique 5.70, 7.50 A)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 162, 163,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 20-2:674 15 VAL MGY 2.20 (# 674:20 Single Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 146, 147, 146, 147,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 20-2:675 15 VAL MGX 2.60 (# 675:20 Single Ambig)
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 146, 147, 146, 147,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 8 LYS HB+ 15 VAL MGY 2.60 (# 676:20 Unique 2.45, 4.53 A)
&rst
ixpk= 676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 140, 141,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 8 LYS HB+ 15 VAL MGX 2.60 (# 677:20 Unique 2.45, 4.53 A)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 140, 141,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 20-2:678 15 VAL MGY 3.50 (# 678:20 Single Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 244, 105, 106,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 20-2:679 15 VAL MGX 2.20 (# 679:20 Single Ambig)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 244, 105, 106,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 17 GLU HN 16 ILE HA 3.50 (# 680:20 Unique 2.37, 2.38 A)
&rst
ixpk= 680, nxpk= 20, iat= 275, 258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 ILE MG2 16 ILE HA 6.00 (# 681:20 Unique 2.33, 2.90 A)
&rst
ixpk= 681, nxpk= 20, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 262, 263, 264,
&end
#
# 7 TYR HN 16 ILE HB 6.00 (# 682:20 Unique 3.18, 3.34 A)
&rst
ixpk= 682, nxpk= 20, iat= 115, 260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ILE HN 16 ILE HB 3.50 (# 683:20 Unique 3.25, 3.30 A)
&rst
ixpk= 683, nxpk= 20, iat= 256, 260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLN HN 0 AMB 20-1:684 6.00 (# 684:20 Single Ambig)
&rst
ixpk= 684, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 725, 726, 260,
&end
#
# 17 GLU HN 16 ILE HB 2.60 (# 685:20 Unique 2.66, 2.67 A)
&rst
ixpk= 685, nxpk= 20, iat= 275, 260, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 29 TRP HH2 16 ILE HB 6.00 (# 687:20 Unique 4.82, 4.94 A)
&rst
ixpk= 687, nxpk= 20, iat= 479, 260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:688 0 AMB 20-1:688 6.00 (# 688:20 Double Ambig)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 277, 242,
igr2= 260, 725, 726,
&end
#
# 44 LEU HA 45 LEU HB- 6.00 (# 689:20 Unique 4.59, 5.23 A)
&rst
ixpk= 689, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 725, 726,
&end
#
# 45 LEU HA 45 LEU HB- 2.60 (# 690:20 Unique 2.39, 2.73 A)
&rst
ixpk= 690, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:691 0 AMB 20-1:691 6.00 (# 691:20 Double Ambig)
&rst
ixpk= 691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 282, 283, 282, 283, 105, 106, 105, 106,
igr2= 725, 726, 260,
&end
#
# 16 ILE HG1- 16 ILE HB 2.60 (# 692:20 Unique 2.40, 2.72 A)
&rst
ixpk= 692, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 266, 267,
&end
#
# 0 AMB 20-2:693 0 AMB 20-1:693 2.20 (# 693:20 Double Ambig)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 266, 267, 66, 67, 68, 70, 71, 72,
igr2= 260, 725, 726,
&end
#
# 45 LEU MDY 45 LEU HB- 2.20 (# 694:20 Unique 2.23, 3.36 A)
&rst
ixpk= 694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 730, 731, 732, 734, 735, 736,
igr2= 725, 726,
&end
#
# 16 ILE MG2 16 ILE HB 2.60 (# 695:20 Unique 2.30, 2.64 A)
&rst
ixpk= 695, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 262, 263, 264,
&end
#
# 16 ILE MD1 16 ILE HB 2.60 (# 696:20 Unique 2.38, 3.05 A)
&rst
ixpk= 696, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 269, 270, 271,
&end
#
# 7 TYR HN 16 ILE HG1+ 6.00 (# 697:20 Unique 3.55, 4.40 A)
&rst
ixpk= 697, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 266, 267,
&end
#
# 7 TYR HN 16 ILE HG1- 6.00 (# 698:20 Unique 3.55, 4.40 A)
&rst
ixpk= 698, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 266, 267,
&end
#
# 16 ILE HN 16 ILE HG1- 3.50 (# 699:20 Unique 2.52, 2.99 A)
&rst
ixpk= 699, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 266, 267,
&end
#
# 16 ILE HN 16 ILE HG1+ 3.50 (# 700:20 Unique 2.52, 2.99 A)
&rst
ixpk= 700, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 266, 267,
&end
#
# 0 AMB 20-2:701 0 AMB 20-1:701 6.00 (# 701:20 Double Ambig)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 275, 394,
igr2= 266, 267, 266, 267,
&end
#
# 0 AMB 20-2:702 0 AMB 20-1:702 6.00 (# 702:20 Double Ambig)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 275, 394,
igr2= 266, 267, 415,
&end
#
# 29 TRP HZ2 16 ILE HG1+ 6.00 (# 705:20 Unique 2.98, 3.43 A)
&rst
ixpk= 705, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 266, 267,
&end
#
# 29 TRP HZ2 16 ILE HG1- 6.00 (# 706:20 Unique 2.98, 3.43 A)
&rst
ixpk= 706, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 266, 267,
&end
#
# 0 AMB 20-2:707 0 AMB 20-1:707 3.50 (# 707:20 Double Ambig)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 479, 123, 132,
igr2= 266, 267, 415,
&end
#
# 29 TRP HH2 16 ILE HG1+ 3.50 (# 708:20 Unique 2.45, 2.90 A)
&rst
ixpk= 708, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 266, 267,
&end
#
# 15 VAL HA 16 ILE HG1- 6.00 (# 709:20 Unique 3.18, 3.60 A)
&rst
ixpk= 709, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 266, 267,
&end
#
# 15 VAL HA 16 ILE HG1+ 6.00 (# 710:20 Unique 3.18, 3.60 A)
&rst
ixpk= 710, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 266, 267,
&end
#
# 16 ILE HA 16 ILE HG1+ 3.50 (# 712:20 Unique 3.26, 3.49 A)
&rst
ixpk= 712, nxpk= 20, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 266, 267,
&end
#
# 7 TYR HB+ 16 ILE HG1- 6.00 (# 713:20 Unique 2.31, 3.63 A)
&rst
ixpk= 713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 119, 120,
igr2= 266, 267,
&end
#
# 7 TYR HB+ 16 ILE HG1+ 6.00 (# 714:20 Unique 2.31, 3.63 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 119, 120,
igr2= 266, 267,
&end
#
# 7 TYR HB- 16 ILE HG1+ 6.00 (# 715:20 Unique 2.31, 3.63 A)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 119, 120,
igr2= 266, 267,
&end
#
# 0 AMB 20-2:716 0 AMB 20-1:716 3.50 (# 716:20 Double Ambig)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 119, 120, 501, 502,
igr2= 266, 267, 415,
&end
#
# 26 LEU HA 0 AMB 20-1:717 3.50 (# 717:20 Single Ambig)
&rst
ixpk= 717, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 415, 266, 267,
&end
#
# 0 AMB 20-2:718 0 AMB 20-1:718 6.00 (# 718:20 Double Ambig)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 105, 106, 244, 279, 280,
igr2= 266, 267, 266, 267, 266, 267,
&end
#
# 0 AMB 20-2:719 0 AMB 20-1:719 6.00 (# 719:20 Double Ambig)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 495, 496, 105, 106, 244,
igr2= 415, 266, 267,
&end
#
# 16 ILE HB 16 ILE HG1+ 3.50 (# 720:20 Unique 2.40, 2.72 A)
&rst
ixpk= 720, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 266, 267,
&end
#
# 16 ILE HB 16 ILE HG1- 2.60 (# 721:20 Unique 2.40, 2.72 A)
&rst
ixpk= 721, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 266, 267,
&end
#
# 0 AMB 20-2:722 0 AMB 20-1:722 2.60 (# 722:20 Double Ambig)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 262, 263, 264, 400, 401, 402,
igr2= 266, 267, 266, 267,
&end
#
# 0 AMB 20-2:723 0 AMB 20-1:723 2.60 (# 723:20 Double Ambig)
&rst
ixpk= 723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 262, 263, 264, 400, 401, 402, 618, 619, 620, 622,
623, 624,
igr2= 266, 267, 415,
&end
#
# 26 LEU MDX 16 ILE HG1+ 6.00 (# 724:20 Unique 4.19, 6.53 A)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 266, 267,
&end
#
# 26 LEU MDX 26 LEU HG 2.60 (# 725:20 Unique 2.34, 2.65 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU MDY 16 ILE HG1+ 6.00 (# 726:20 Unique 4.19, 6.53 A)
&rst
ixpk= 726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 266, 267,
&end
#
# 26 LEU MDY 26 LEU HG 2.60 (# 727:20 Unique 2.34, 2.65 A)
&rst
ixpk= 727, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 16 ILE MD1 0 AMB 20-1:728 2.60 (# 728:20 Single Ambig)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 269, 270, 271,
igr2= 266, 267, 415,
&end
#
# 16 ILE MD1 16 ILE HG1+ 2.60 (# 729:20 Unique 2.38, 2.65 A)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 269, 270, 271,
igr2= 266, 267,
&end
#
# 29 TRP HE1 16 ILE MG2 6.00 (# 730:20 Unique 6.66, 7.51 A)
&rst
ixpk= 730, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 7 TYR HN 16 ILE MG2 6.00 (# 731:20 Unique 5.39, 5.75 A)
&rst
ixpk= 731, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 18 THR HN 16 ILE MG2 6.00 (# 732:20 Unique 5.47, 6.12 A)
&rst
ixpk= 732, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 16 ILE HN 16 ILE MG2 6.00 (# 733:20 Unique 4.68, 4.88 A)
&rst
ixpk= 733, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 15 VAL HN 16 ILE MG2 6.00 (# 735:20 Unique 5.92, 6.87 A)
&rst
ixpk= 735, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 17 GLU HN 16 ILE MG2 2.60 (# 736:20 Unique 1.85, 2.90 A)
&rst
ixpk= 736, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 262, 263, 264,
&end
#
# 26 LEU HN 16 ILE MG2 6.00 (# 737:20 Unique 3.35, 4.43 A)
&rst
ixpk= 737, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 23 HIS HD2 16 ILE MG2 4.30 (# 738:20 Unique)
&rst
ixpk= 738, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 262, 263, 264,
&end
#
# 29 TRP HZ2 16 ILE MG2 6.00 (# 739:20 Unique 5.20, 6.16 A)
&rst
ixpk= 739, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 29 TRP HH2 16 ILE MG2 6.00 (# 741:20 Unique 5.56, 6.17 A)
&rst
ixpk= 741, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 7 TYR HD 16 ILE MG2 6.00 (# 742:20 Unique 4.68, 6.83 A)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 123, 132,
igr2= 262, 263, 264,
&end
#
# 0 AMB 20-2:744 16 ILE MG2 6.00 (# 744:20 Single Ambig)
&rst
ixpk= 744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 277, 242,
igr2= 262, 263, 264,
&end
#
# 18 THR HB 16 ILE MG2 6.00 (# 746:20 Unique 4.79, 5.89 A)
&rst
ixpk= 746, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 25 THR HA 16 ILE MG2 6.00 (# 747:20 Unique 5.59, 6.45 A)
&rst
ixpk= 747, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 25 THR HB 16 ILE MG2 3.50 (# 748:20 Unique 2.58, 3.52 A)
&rst
ixpk= 748, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 262, 263, 264,
&end
#
# 26 LEU HA 16 ILE MG2 6.00 (# 749:20 Unique 4.61, 5.77 A)
&rst
ixpk= 749, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 7 TYR HB+ 16 ILE MG2 6.00 (# 750:20 Unique 4.36, 5.68 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 119, 120,
igr2= 262, 263, 264,
&end
#
# 7 TYR HB- 16 ILE MG2 6.00 (# 751:20 Unique 4.36, 5.68 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 119, 120,
igr2= 262, 263, 264,
&end
#
# 0 AMB 20-2:753 16 ILE MG2 6.00 (# 753:20 Single Ambig)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 282, 283, 229, 230,
igr2= 262, 263, 264,
&end
#
# 0 AMB 20-2:754 16 ILE MG2 6.00 (# 754:20 Single Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 282, 283, 229, 230,
igr2= 262, 263, 264,
&end
#
# 0 AMB 20-2:755 16 ILE MG2 6.00 (# 755:20 Single Ambig)
&rst
ixpk= 755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 279, 280, 244,
igr2= 262, 263, 264,
&end
#
# 0 AMB 20-2:756 16 ILE MG2 6.00 (# 756:20 Single Ambig)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 279, 280,
igr2= 262, 263, 264,
&end
#
# 26 LEU HB+ 16 ILE MG2 6.00 (# 757:20 Unique 2.76, 4.91 A)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 412, 413,
igr2= 262, 263, 264,
&end
#
# 16 ILE HB 16 ILE MG2 2.20 (# 758:20 Unique 2.30, 2.64 A)
&rst
ixpk= 758, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 262, 263, 264,
&end
#
# 16 ILE HG1- 16 ILE MG2 2.60 (# 759:20 Unique 2.46, 3.56 A)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 266, 267,
igr2= 262, 263, 264,
&end
#
# 16 ILE HG1+ 16 ILE MG2 2.60 (# 760:20 Unique 2.46, 3.56 A)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 266, 267,
igr2= 262, 263, 264,
&end
#
# 18 THR MG2 16 ILE MG2 2.60 (# 761:20 Unique 2.88, 4.41 A)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 296, 297, 298,
igr2= 262, 263, 264,
&end
#
# 26 LEU MDY 16 ILE MG2 6.00 (# 762:20 Unique 4.37, 6.84 A)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 262, 263, 264,
&end
#
# 16 ILE MD1 16 ILE MG2 2.20 (# 763:20 Unique 2.28, 3.62 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 269, 270, 271,
igr2= 262, 263, 264,
&end
#
# 29 TRP HE1 16 ILE MD1 6.00 (# 764:20 Unique 4.31, 5.48 A)
&rst
ixpk= 764, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 7 TYR HN 16 ILE MD1 6.00 (# 765:20 Unique 4.53, 5.44 A)
&rst
ixpk= 765, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 29 TRP HN 16 ILE MD1 6.00 (# 766:20 Unique 4.90, 5.62 A)
&rst
ixpk= 766, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:767 16 ILE MD1 6.00 (# 767:20 Single Ambig)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 256, 488,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:768 16 ILE MD1 4.30 (# 768:20 Single Ambig)
&rst
ixpk= 768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 275, 394,
igr2= 269, 270, 271,
&end
#
# 27 LYS HN 16 ILE MD1 6.00 (# 769:20 Unique 4.87, 5.57 A)
&rst
ixpk= 769, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 26 LEU HN 16 ILE MD1 3.50 (# 771:20 Unique 2.59, 3.47 A)
&rst
ixpk= 771, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:772 16 ILE MD1 6.00 (# 772:20 Single Ambig)
&rst
ixpk= 772, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 23 HIS HD2 16 ILE MD1 4.30 (# 773:20 Unique)
&rst
ixpk= 773, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 269, 270, 271,
&end
#
# 29 TRP HZ2 16 ILE MD1 6.00 (# 774:20 Unique 3.30, 4.53 A)
&rst
ixpk= 774, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 7 TYR HD 16 ILE MD1 3.50 (# 776:20 Unique 3.77, 5.24 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 123, 132,
igr2= 269, 270, 271,
&end
#
# 29 TRP HH2 16 ILE MD1 3.50 (# 777:20 Unique 3.50, 4.39 A)
&rst
ixpk= 777, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 269, 270, 271,
&end
#
# 7 TYR HE 16 ILE MD1 6.00 (# 778:20 Unique 5.45, 6.89 A)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 125, 130,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:779 16 ILE MD1 6.00 (# 779:20 Single Ambig)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 242, 277,
igr2= 269, 270, 271,
&end
#
# 18 THR HB 16 ILE MD1 6.00 (# 781:20 Unique 6.01, 7.03 A)
&rst
ixpk= 781, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:782 16 ILE MD1 6.00 (# 782:20 Single Ambig)
&rst
ixpk= 782, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 25 THR HB 16 ILE MD1 3.50 (# 783:20 Unique 2.33, 3.49 A)
&rst
ixpk= 783, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 269, 270, 271,
&end
#
# 26 LEU HA 16 ILE MD1 3.50 (# 784:20 Unique 2.66, 2.96 A)
&rst
ixpk= 784, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 269, 270, 271,
&end
#
# 7 TYR HB+ 16 ILE MD1 6.00 (# 785:20 Unique 2.36, 3.62 A)
&rst
ixpk= 785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 119, 120,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:786 16 ILE MD1 6.00 (# 786:20 Single Ambig)
&rst
ixpk= 786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 358, 359, 358, 359,
igr2= 269, 270, 271,
&end
#
# 7 TYR HB- 16 ILE MD1 6.00 (# 787:20 Unique 2.36, 3.62 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 119, 120,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:788 16 ILE MD1 6.00 (# 788:20 Single Ambig)
&rst
ixpk= 788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 614, 244,
igr2= 269, 270, 271,
&end
#
# 26 LEU HB+ 16 ILE MD1 3.50 (# 789:20 Unique 2.24, 3.51 A)
&rst
ixpk= 789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 412, 413,
igr2= 269, 270, 271,
&end
#
# 16 ILE HB 16 ILE MD1 2.60 (# 790:20 Unique 2.38, 3.05 A)
&rst
ixpk= 790, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 269, 270, 271,
&end
#
# 26 LEU HB- 16 ILE MD1 2.60 (# 791:20 Unique 2.24, 3.51 A)
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 412, 413,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:792 16 ILE MD1 2.20 (# 792:20 Single Ambig)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 266, 267, 415,
igr2= 269, 270, 271,
&end
#
# 16 ILE HG1+ 16 ILE MD1 2.60 (# 793:20 Unique 2.38, 2.65 A)
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 266, 267,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:794 16 ILE MD1 2.20 (# 794:20 Single Ambig)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 262, 263, 264, 400, 401, 402,
igr2= 269, 270, 271,
&end
#
# 26 LEU MDX 16 ILE MD1 6.00 (# 795:20 Unique 2.28, 4.69 A)
&rst
ixpk= 795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 269, 270, 271,
&end
#
# 26 LEU MDY 16 ILE MD1 2.60 (# 796:20 Unique 2.28, 4.69 A)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 269, 270, 271,
&end
#
# 7 TYR HN 17 GLU HA 3.50 (# 797:20 Unique 3.33, 3.47 A)
&rst
ixpk= 797, nxpk= 20, iat= 115, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 THR HN 17 GLU HA 2.60 (# 798:20 Unique 2.14, 2.16 A)
&rst
ixpk= 798, nxpk= 20, iat= 290, 277, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 17 GLU HN 17 GLU HA 3.50 (# 799:20 Unique 2.93, 2.94 A)
&rst
ixpk= 799, nxpk= 20, iat= 275, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:800 17 GLU HA 6.00 (# 800:20 Single Ambig)
&rst
ixpk= 800, nxpk= 20, iat= 76, 277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HD 17 GLU HA 6.00 (# 801:20 Unique 3.35, 5.53 A)
&rst
ixpk= 801, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 132,
&end
#
# 6 GLN HA 17 GLU HA 2.60 (# 802:20 Unique 2.06, 2.11 A)
&rst
ixpk= 802, nxpk= 20, iat= 100, 277, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 18 THR HA 17 GLU HA 6.00 (# 803:20 Unique 4.46, 4.48 A)
&rst
ixpk= 803, nxpk= 20, iat= 292, 277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 GLU HG+ 17 GLU HA 2.60 (# 804:20 Unique 2.40, 2.62 A)
&rst
ixpk= 804, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 282, 283,
&end
#
# 0 AMB 20-2:805 17 GLU HA 2.60 (# 805:20 Single Ambig)
&rst
ixpk= 805, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 282, 283, 102, 103,
&end
#
# 17 GLU HB+ 17 GLU HA 2.60 (# 806:20 Unique 2.62, 2.82 A)
&rst
ixpk= 806, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 279, 280,
&end
#
# 17 GLU HB- 17 GLU HA 2.60 (# 807:20 Unique 2.62, 2.82 A)
&rst
ixpk= 807, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 279, 280,
&end
#
# 16 ILE HG1- 17 GLU HA 6.00 (# 808:20 Unique 5.67, 6.20 A)
&rst
ixpk= 808, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 266, 267,
&end
#
# 18 THR MG2 17 GLU HA 3.50 (# 809:20 Unique 3.56, 4.42 A)
&rst
ixpk= 809, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 296, 297, 298,
&end
#
# 4 VAL MGY 17 GLU HA 3.50 (# 810:20 Unique 3.18, 5.20 A)
&rst
ixpk= 810, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL MGX 17 GLU HA 3.50 (# 811:20 Unique 3.18, 5.20 A)
&rst
ixpk= 811, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 16 ILE MG2 17 GLU HA 6.00 (# 812:20 Unique 4.61, 5.42 A)
&rst
ixpk= 812, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 262, 263, 264,
&end
#
# 18 THR HN 17 GLU HB+ 3.50 (# 813:20 Unique 3.29, 3.91 A)
&rst
ixpk= 813, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 279, 280,
&end
#
# 18 THR HN 17 GLU HB- 3.50 (# 814:20 Unique 3.29, 3.91 A)
&rst
ixpk= 814, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 279, 280,
&end
#
# 17 GLU HN 17 GLU HB+ 2.60 (# 815:20 Unique 2.68, 3.22 A)
&rst
ixpk= 815, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 279, 280,
&end
#
# 0 AMB 20-2:816 0 AMB 20-1:816 2.60 (# 816:20 Double Ambig)
&rst
ixpk= 816, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 279, 280,
&end
#
# 6 GLN HA 17 GLU HB+ 6.00 (# 817:20 Unique 4.24, 4.48 A)
&rst
ixpk= 817, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 279, 280,
&end
#
# 6 GLN HA 17 GLU HB- 6.00 (# 818:20 Unique 4.24, 4.48 A)
&rst
ixpk= 818, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 279, 280,
&end
#
# 17 GLU HA 17 GLU HB+ 2.60 (# 819:20 Unique 2.62, 2.82 A)
&rst
ixpk= 819, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 279, 280,
&end
#
# 17 GLU HA 17 GLU HB- 2.60 (# 820:20 Unique 2.62, 2.82 A)
&rst
ixpk= 820, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 279, 280,
&end
#
# 17 GLU HG- 17 GLU HB- 2.20 (# 821:20 Unique 2.41, 2.76 A)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 282, 283,
igr2= 279, 280,
&end
#
# 0 AMB 20-2:822 0 AMB 20-1:822 2.20 (# 822:20 Double Ambig)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 282, 283, 577, 578,
igr2= 279, 280, 492, 493,
&end
#
# 17 GLU HG+ 17 GLU HB- 2.20 (# 823:20 Unique 2.41, 2.76 A)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 282, 283,
igr2= 279, 280,
&end
#
# 17 GLU HG+ 17 GLU HB+ 2.20 (# 824:20 Unique 2.41, 2.76 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 282, 283,
igr2= 279, 280,
&end
#
# 4 VAL MGX 17 GLU HB- 2.20 (# 825:20 Unique 2.33, 4.81 A)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 66, 67, 68, 70, 71, 72,
igr2= 279, 280,
&end
#
# 4 VAL MGX 17 GLU HB+ 2.60 (# 826:20 Unique 2.33, 4.81 A)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 66, 67, 68, 70, 71, 72,
igr2= 279, 280,
&end
#
# 7 TYR HN 17 GLU HG+ 6.00 (# 827:20 Unique 4.08, 4.42 A)
&rst
ixpk= 827, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 282, 283,
&end
#
# 7 TYR HN 17 GLU HG- 6.00 (# 828:20 Unique 4.08, 4.42 A)
&rst
ixpk= 828, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 282, 283,
&end
#
# 6 GLN HN 17 GLU HG+ 6.00 (# 829:20 Unique 4.29, 4.96 A)
&rst
ixpk= 829, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 282, 283,
&end
#
# 18 THR HN 17 GLU HG+ 6.00 (# 830:20 Unique 3.96, 4.44 A)
&rst
ixpk= 830, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 282, 283,
&end
#
# 18 THR HN 17 GLU HG- 6.00 (# 832:20 Unique 3.96, 4.44 A)
&rst
ixpk= 832, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 282, 283,
&end
#
# 17 GLU HN 17 GLU HG+ 3.50 (# 833:20 Unique 3.67, 4.12 A)
&rst
ixpk= 833, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 282, 283,
&end
#
# 17 GLU HN 17 GLU HG- 3.50 (# 834:20 Unique 3.67, 4.12 A)
&rst
ixpk= 834, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 282, 283,
&end
#
# 6 GLN HE2+ 17 GLU HG- 6.00 (# 835:20 Unique 2.94, 4.55 A)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2= 282, 283,
&end
#
# 6 GLN HE2+ 17 GLU HG+ 3.50 (# 836:20 Unique 2.94, 4.55 A)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 110, 111,
igr2= 282, 283,
&end
#
# 6 GLN HE2- 17 GLU HG+ 6.00 (# 837:20 Unique 2.94, 4.55 A)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2= 282, 283,
&end
#
# 6 GLN HE2- 17 GLU HG- 6.00 (# 838:20 Unique 2.94, 4.55 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2= 282, 283,
&end
#
# 6 GLN HA 17 GLU HG+ 3.50 (# 839:20 Unique 2.70, 2.93 A)
&rst
ixpk= 839, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 282, 283,
&end
#
# 17 GLU HA 17 GLU HG+ 3.50 (# 840:20 Unique 2.40, 2.62 A)
&rst
ixpk= 840, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 282, 283,
&end
#
# 6 GLN HA 17 GLU HG- 3.50 (# 841:20 Unique 2.70, 2.93 A)
&rst
ixpk= 841, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 282, 283,
&end
#
# 17 GLU HA 17 GLU HG- 2.60 (# 842:20 Unique 2.40, 2.62 A)
&rst
ixpk= 842, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 282, 283,
&end
#
# 17 GLU HB+ 17 GLU HG+ 2.20 (# 843:20 Unique 2.41, 2.76 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 279, 280,
igr2= 282, 283,
&end
#
# 17 GLU HB- 17 GLU HG- 2.20 (# 844:20 Unique 2.41, 2.76 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 279, 280,
igr2= 282, 283,
&end
#
# 17 GLU HB+ 17 GLU HG- 2.20 (# 845:20 Unique 2.41, 2.76 A)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 279, 280,
igr2= 282, 283,
&end
#
# 17 GLU HB- 17 GLU HG+ 2.60 (# 846:20 Unique 2.41, 2.76 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 279, 280,
igr2= 282, 283,
&end
#
# 0 AMB 20-2:847 0 AMB 20-1:847 3.50 (# 847:20 Double Ambig)
&rst
ixpk= 847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 728, 260,
igr2= 282, 283, 282, 283,
&end
#
# 0 AMB 20-2:848 17 GLU HG- 6.00 (# 848:20 Single Ambig)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 728, 725, 726, 260,
igr2= 282, 283,
&end
#
# 15 VAL MGX 17 GLU HG- 3.50 (# 849:20 Unique 3.64, 6.79 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 282, 283,
&end
#
# 45 LEU MDY 17 GLU HG- 2.60 (# 850:20 Unique 2.24, 4.62 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 730, 731, 732, 734, 735, 736,
igr2= 282, 283,
&end
#
# 45 LEU MDY 17 GLU HG+ 2.60 (# 851:20 Unique 2.24, 4.62 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 730, 731, 732, 734, 735, 736,
igr2= 282, 283,
&end
#
# 15 VAL MGX 17 GLU HG+ 3.50 (# 852:20 Unique 3.64, 6.79 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 282, 283,
&end
#
# 19 LYS HN 18 THR HB 3.50 (# 853:20 Unique 2.59, 2.86 A)
&rst
ixpk= 853, nxpk= 20, iat= 304, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 THR HN 18 THR HB 6.00 (# 854:20 Unique 3.94, 3.98 A)
&rst
ixpk= 854, nxpk= 20, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 GLU HN 18 THR HB 6.00 (# 855:20 Unique 5.13, 5.43 A)
&rst
ixpk= 855, nxpk= 20, iat= 275, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 GLY HN 18 THR HB 5.50 (# 856:20 Unique 3.71, 4.12 A)
&rst
ixpk= 856, nxpk= 20, iat= 326, 294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR HE 18 THR HB 6.00 (# 858:20 Unique 4.34, 6.48 A)
&rst
ixpk= 858, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 18 THR HA 18 THR HB 2.60 (# 859:20 Unique 2.19, 2.22 A)
&rst
ixpk= 859, nxpk= 20, iat= 292, 294, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:860 18 THR HB 6.00 (# 860:20 Single Ambig)
&rst
ixpk= 860, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 358, 359, 358, 359,
&end
#
# 18 THR MG2 18 THR HB 2.60 (# 861:20 Unique 2.41, 2.66 A)
&rst
ixpk= 861, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 296, 297, 298,
&end
#
# 16 ILE MG2 18 THR HB 6.00 (# 862:20 Unique 4.79, 5.89 A)
&rst
ixpk= 862, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 262, 263, 264,
&end
#
# 16 ILE MD1 18 THR HB 6.00 (# 863:20 Unique 6.01, 7.03 A)
&rst
ixpk= 863, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 26 LEU MDY 18 THR HB 6.00 (# 864:20 Unique 4.19, 6.28 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:865 18 THR HB 6.00 (# 865:20 Single Ambig)
&rst
ixpk= 865, nxpk= 20, iat= 260, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HN 18 THR MG2 6.00 (# 866:20 Unique 4.45, 5.62 A)
&rst
ixpk= 866, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 296, 297, 298,
&end
#
# 19 LYS HN 18 THR MG2 6.00 (# 867:20 Unique 4.67, 4.94 A)
&rst
ixpk= 867, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 296, 297, 298,
&end
#
# 18 THR HN 18 THR MG2 2.60 (# 868:20 Unique 2.72, 3.49 A)
&rst
ixpk= 868, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 296, 297, 298,
&end
#
# 16 ILE HN 18 THR MG2 6.00 (# 869:20 Unique 6.04, 6.75 A)
&rst
ixpk= 869, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 296, 297, 298,
&end
#
# 20 GLY HN 18 THR MG2 5.50 (# 870:20 Unique)
&rst
ixpk= 870, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 296, 297, 298,
&end
#
# 17 GLU HN 18 THR MG2 3.50 (# 871:20 Unique 3.28, 4.21 A)
&rst
ixpk= 871, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 296, 297, 298,
&end
#
# 26 LEU HN 18 THR MG2 6.00 (# 872:20 Unique 4.74, 5.50 A)
&rst
ixpk= 872, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 296, 297, 298,
&end
#
# 7 TYR HD 18 THR MG2 2.60 (# 874:20 Unique 2.25, 4.96 A)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 123, 132,
igr2= 296, 297, 298,
&end
#
# 7 TYR HE 18 THR MG2 2.60 (# 875:20 Unique 2.35, 5.16 A)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 125, 130,
igr2= 296, 297, 298,
&end
#
# 6 GLN HA 18 THR MG2 6.00 (# 876:20 Unique 4.58, 5.67 A)
&rst
ixpk= 876, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 296, 297, 298,
&end
#
# 17 GLU HA 18 THR MG2 3.50 (# 877:20 Unique 3.56, 4.42 A)
&rst
ixpk= 877, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 296, 297, 298,
&end
#
# 18 THR HA 18 THR MG2 3.50 (# 878:20 Unique 3.05, 3.68 A)
&rst
ixpk= 878, nxpk= 20, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 296, 297, 298,
&end
#
# 18 THR HB 18 THR MG2 2.60 (# 881:20 Unique 2.41, 2.66 A)
&rst
ixpk= 881, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 296, 297, 298,
&end
#
# 4 VAL HA 18 THR MG2 6.00 (# 882:20 Unique 6.57, 7.35 A)
&rst
ixpk= 882, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 296, 297, 298,
&end
#
# 0 AMB 20-2:883 18 THR MG2 3.50 (# 883:20 Single Ambig)
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 358, 359, 358, 359,
igr2= 296, 297, 298,
&end
#
# 7 TYR HB- 18 THR MG2 6.00 (# 884:20 Unique 4.02, 5.37 A)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 119, 120,
igr2= 296, 297, 298,
&end
#
# 0 AMB 20-2:885 18 THR MG2 6.00 (# 885:20 Single Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 279, 280,
igr2= 296, 297, 298,
&end
#
# 26 LEU HB+ 18 THR MG2 3.50 (# 886:20 Unique 2.57, 4.08 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 412, 413,
igr2= 296, 297, 298,
&end
#
# 16 ILE HB 18 THR MG2 3.50 (# 887:20 Unique 3.09, 3.67 A)
&rst
ixpk= 887, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 296, 297, 298,
&end
#
# 5 LYS HB- 18 THR MG2 6.00 (# 888:20 Unique 4.67, 5.93 A)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 80, 81,
igr2= 296, 297, 298,
&end
#
# 16 ILE MG2 18 THR MG2 2.60 (# 889:20 Unique 2.88, 4.41 A)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 262, 263, 264,
igr2= 296, 297, 298,
&end
#
# 26 LEU MDX 18 THR MG2 2.60 (# 890:20 Unique 2.33, 4.79 A)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 296, 297, 298,
&end
#
# 26 LEU MDY 18 THR MG2 3.50 (# 891:20 Unique 2.33, 4.79 A)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 296, 297, 298,
&end
#
# 16 ILE MD1 18 THR MG2 6.00 (# 892:20 Unique 3.69, 4.94 A)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 269, 270, 271,
igr2= 296, 297, 298,
&end
#
# 19 LYS HN 19 LYS HB+ 6.00 (# 894:20 Unique 2.41, 3.22 A)
&rst
ixpk= 894, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 308, 309,
&end
#
# 19 LYS HN 19 LYS HB- 6.00 (# 895:20 Unique 2.41, 3.22 A)
&rst
ixpk= 895, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 308, 309,
&end
#
# 0 AMB 20-2:900 0 AMB 20-1:900 6.00 (# 900:20 Double Ambig)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 317, 318, 317, 318,
igr2= 308, 309, 308, 309,
&end
#
# 0 AMB 20-2:901 19 LYS HB- 5.50 (# 901:20 Single Ambig)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 317, 318, 317, 318,
igr2= 308, 309,
&end
#
# 0 AMB 20-2:902 0 AMB 20-1:902 4.50 (# 902:20 Double Ambig)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 314, 315, 314, 315,
igr2= 308, 309, 308, 309,
&end
#
# 19 LYS HG- 19 LYS HB+ 3.50 (# 903:20 Unique 2.26, 2.75 A)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 311, 312,
igr2= 308, 309,
&end
#
# 19 LYS HG+ 19 LYS HB+ 3.50 (# 904:20 Unique 2.26, 2.75 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 311, 312,
igr2= 308, 309,
&end
#
# 19 LYS HG+ 19 LYS HB- 2.60 (# 905:20 Unique 2.26, 2.75 A)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 311, 312,
igr2= 308, 309,
&end
#
# 19 LYS HG- 19 LYS HB- 2.60 (# 906:20 Unique 2.26, 2.75 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 311, 312,
igr2= 308, 309,
&end
#
# 0 AMB 20-2:907 19 LYS HB- 2.60 (# 907:20 Single Ambig)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 314, 315, 314, 315,
igr2= 308, 309,
&end
#
# 19 LYS HN 19 LYS HG+ 6.00 (# 908:20 Unique 2.71, 3.49 A)
&rst
ixpk= 908, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 311, 312,
&end
#
# 19 LYS HN 19 LYS HG- 6.00 (# 909:20 Unique 2.71, 3.49 A)
&rst
ixpk= 909, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 311, 312,
&end
#
# 5 LYS HN 19 LYS HG+ 6.00 (# 910:20 Unique 3.71, 4.42 A)
&rst
ixpk= 910, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 311, 312,
&end
#
# 0 AMB 20-2:911 0 AMB 20-1:911 6.00 (# 911:20 Double Ambig)
&rst
ixpk= 911, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 45, 46,
&end
#
# 4 VAL HA 19 LYS HG+ 3.50 (# 914:20 Unique 2.16, 2.99 A)
&rst
ixpk= 914, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 311, 312,
&end
#
# 4 VAL HA 19 LYS HG- 3.50 (# 915:20 Unique 2.16, 2.99 A)
&rst
ixpk= 915, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 311, 312,
&end
#
# 0 AMB 20-2:916 0 AMB 20-1:916 2.60 (# 916:20 Double Ambig)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 51, 52, 51, 52,
igr2= 45, 46,
&end
#
# 0 AMB 20-2:917 0 AMB 20-1:917 2.60 (# 917:20 Double Ambig)
&rst
ixpk= 917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 51, 52, 51, 52,
igr2= 45, 46, 45, 46,
&end
#
# 19 LYS HB+ 19 LYS HG- 2.60 (# 918:20 Unique 2.26, 2.75 A)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 308, 309,
igr2= 311, 312,
&end
#
# 19 LYS HB+ 19 LYS HG+ 2.60 (# 919:20 Unique 2.26, 2.75 A)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 308, 309,
igr2= 311, 312,
&end
#
# 0 AMB 20-2:920 0 AMB 20-1:920 2.60 (# 920:20 Double Ambig)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 314, 315, 314, 315,
igr2= 311, 312, 311, 312,
&end
#
# 0 AMB 20-2:921 19 LYS HG- 2.60 (# 921:20 Single Ambig)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 314, 315, 314, 315,
igr2= 311, 312,
&end
#
# 4 VAL MGY 19 LYS HG- 3.50 (# 922:20 Unique 2.23, 4.10 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 66, 67, 68, 70, 71, 72,
igr2= 311, 312,
&end
#
# 4 VAL MGY 19 LYS HG+ 3.50 (# 923:20 Unique 2.23, 4.10 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 66, 67, 68, 70, 71, 72,
igr2= 311, 312,
&end
#
# 19 LYS HN 0 AMB 20-1:925 6.00 (# 925:20 Single Ambig)
&rst
ixpk= 925, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 314, 315, 314, 315,
&end
#
# 0 AMB 20-2:931 27 LYS HD- 3.50 (# 931:20 Single Ambig)
&rst
ixpk= 931, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 437, 438,
&end
#
# 0 AMB 20-2:932 0 AMB 20-1:932 2.60 (# 932:20 Double Ambig)
&rst
ixpk= 932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 440, 441, 317, 318, 317, 318, 317, 318,
igr2= 437, 438, 314, 315, 314, 315, 314, 315,
&end
#
# 0 AMB 20-2:933 0 AMB 20-1:933 2.60 (# 933:20 Double Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 311, 312,
igr2= 314, 315, 314, 315,
&end
#
# 0 AMB 20-2:934 0 AMB 20-1:934 2.60 (# 934:20 Double Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 311, 312, 311, 312, 434, 435,
igr2= 314, 315, 314, 315, 437, 438,
&end
#
# 19 LYS HN 0 AMB 20-1:937 6.00 (# 937:20 Single Ambig)
&rst
ixpk= 937, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 328, 329, 328, 329,
&end
#
# 21 GLY HN 0 AMB 20-1:938 3.50 (# 938:20 Single Ambig)
&rst
ixpk= 938, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 328, 329, 328, 329,
&end
#
# 20 GLY HN 0 AMB 20-1:939 3.50 (# 939:20 Single Ambig)
&rst
ixpk= 939, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 328, 329, 328, 329,
&end
#
# 22 ASN HN 21 GLY HA+ 4.30 (# 948:20 Unique 2.25, 2.54 A)
&rst
ixpk= 948, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 335, 336,
&end
#
# 22 ASN HN 21 GLY HA- 5.50 (# 949:20 Unique 2.25, 2.54 A)
&rst
ixpk= 949, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 335, 336,
&end
#
# 21 GLY HN 21 GLY HA- 5.50 (# 950:20 Unique 2.58, 2.81 A)
&rst
ixpk= 950, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 335, 336,
&end
#
# 21 GLY HN 21 GLY HA+ 5.50 (# 951:20 Unique 2.58, 2.81 A)
&rst
ixpk= 951, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 335, 336,
&end
#
# 26 LEU MDX 21 GLY HA- 6.00 (# 956:20 Unique)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 335, 336,
&end
#
# 26 LEU MDX 21 GLY HA+ 5.50 (# 957:20 Unique)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 335, 336,
&end
#
# 22 ASN HN 22 ASN HB+ 4.50 (# 958:20 Unique 2.40, 2.64 A)
&rst
ixpk= 958, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 344, 345,
&end
#
# 22 ASN HN 22 ASN HB- 4.50 (# 959:20 Unique 2.40, 2.64 A)
&rst
ixpk= 959, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 344, 345,
&end
#
# 22 ASN HD2+ 22 ASN HB+ 3.50 (# 960:20 Unique 2.24, 3.18 A)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 349, 350,
igr2= 344, 345,
&end
#
# 22 ASN HD2+ 22 ASN HB- 3.50 (# 961:20 Unique 2.24, 3.18 A)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 349, 350,
igr2= 344, 345,
&end
#
# 22 ASN HD2- 22 ASN HB+ 3.50 (# 966:20 Unique 2.24, 3.18 A)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 349, 350,
igr2= 344, 345,
&end
#
# 22 ASN HD2- 22 ASN HB- 5.50 (# 967:20 Unique 2.24, 3.18 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 349, 350,
igr2= 344, 345,
&end
#
# 24 LYS HN 23 HIS HA 6.00 (# 976:20 Unique 2.21, 2.26 A)
&rst
ixpk= 976, nxpk= 20, iat= 372, 356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 THR HB 23 HIS HA 6.00 (# 977:20 Unique 5.28, 5.59 A)
&rst
ixpk= 977, nxpk= 20, iat= 294, 356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:978 23 HIS HA 6.00 (# 978:20 Single Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 358, 359, 358, 359,
&end
#
# 24 LYS HN 0 AMB 20-1:979 6.00 (# 979:20 Single Ambig)
&rst
ixpk= 979, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 358, 359, 358, 359,
&end
#
# 0 AMB 20-2:980 0 AMB 20-1:980 3.50 (# 980:20 Double Ambig)
&rst
ixpk= 980, nxpk= 20, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 358, 359, 358, 359,
&end
#
# 23 HIS HA 0 AMB 20-1:982 3.50 (# 982:20 Single Ambig)
&rst
ixpk= 982, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 358, 359, 358, 359,
&end
#
# 26 LEU MDY 0 AMB 20-1:985 6.00 (# 985:20 Single Ambig)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 358, 359, 358, 359,
&end
#
# 26 LEU MDX 0 AMB 20-1:986 3.50 (# 986:20 Single Ambig)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 358, 359, 358, 359,
&end
#
# 0 AMB 20-2:987 0 AMB 20-1:987 3.50 (# 987:20 Double Ambig)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 296, 297, 298, 412, 413,
igr2= 358, 359, 358, 359, 358, 359,
&end
#
# 0 AMB 20-2:988 0 AMB 20-1:988 3.50 (# 988:20 Double Ambig)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 415, 266, 267,
igr2= 358, 359, 358, 359, 358, 359,
&end
#
# 0 AMB 20-2:989 0 AMB 20-1:989 6.00 (# 989:20 Double Ambig)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 412, 413, 412, 413,
igr2= 358, 359, 358, 359,
&end
#
# 24 LYS HN 24 LYS HA 3.50 (# 992:20 Unique 2.70, 2.78 A)
&rst
ixpk= 992, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 THR HN 24 LYS HA 6.00 (# 993:20 Unique 3.61, 3.62 A)
&rst
ixpk= 993, nxpk= 20, iat= 394, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HN 0 AMB 20-1:994 3.50 (# 994:20 Single Ambig)
&rst
ixpk= 994, nxpk= 20, iat= 449, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LYS HN 0 AMB 20-1:995 3.50 (# 995:20 Single Ambig)
&rst
ixpk= 995, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 429, 374,
&end
#
# 23 HIS HA 0 AMB 20-1:996 6.00 (# 996:20 Single Ambig)
&rst
ixpk= 996, nxpk= 20, iat= 356, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:999 24 LYS HA 3.50 (# 999:20 Single Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 385, 386, 385, 386,
&end
#
# 0 AMB 20-2:1000 0 AMB 20-1:1000 6.00 (# 1000:20 Double Ambig)
&rst
ixpk= 1000, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 440, 441,
&end
#
# 24 LYS HG- 24 LYS HA 3.50 (# 1001:20 Unique 2.16, 2.85 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 379, 380,
&end
#
# 0 AMB 20-2:1002 0 AMB 20-1:1002 2.60 (# 1002:20 Double Ambig)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 379, 380, 434, 435,
igr2= 374, 429,
&end
#
# 0 AMB 20-2:1003 24 LYS HA 3.50 (# 1003:20 Single Ambig)
&rst
ixpk= 1003, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 382, 383, 382, 383,
&end
#
# 0 AMB 20-2:1004 0 AMB 20-1:1004 2.60 (# 1004:20 Double Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 376, 377, 376, 377,
&end
#
# 0 AMB 20-2:1005 0 AMB 20-1:1005 2.20 (# 1005:20 Double Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:1006 27 LYS HA 6.00 (# 1006:20 Single Ambig)
&rst
ixpk= 1006, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496, 412, 413,
&end
#
# 26 LEU HG 27 LYS HA 6.00 (# 1007:20 Unique 4.13, 4.70 A)
&rst
ixpk= 1007, nxpk= 20, iat= 415, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1008 0 AMB 20-1:1008 6.00 (# 1008:20 Double Ambig)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 618, 619, 620, 622, 623, 624, 400, 401, 402,
igr2= 429, 374,
&end
#
# 24 LYS HN 24 LYS HB+ 3.50 (# 1010:20 Unique 2.19, 2.59 A)
&rst
ixpk= 1010, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 376, 377,
&end
#
# 24 LYS HN 24 LYS HB- 2.60 (# 1011:20 Unique 2.19, 2.59 A)
&rst
ixpk= 1011, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 376, 377,
&end
#
# 25 THR HN 24 LYS HB+ 3.50 (# 1012:20 Unique 2.40, 3.19 A)
&rst
ixpk= 1012, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 376, 377,
&end
#
# 25 THR HN 24 LYS HB- 3.50 (# 1013:20 Unique 2.40, 3.19 A)
&rst
ixpk= 1013, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 376, 377,
&end
#
# 23 HIS HA 24 LYS HB+ 6.00 (# 1015:20 Unique 4.35, 4.78 A)
&rst
ixpk= 1015, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 376, 377,
&end
#
# 23 HIS HA 24 LYS HB- 6.00 (# 1016:20 Unique 4.35, 4.78 A)
&rst
ixpk= 1016, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 376, 377,
&end
#
# 24 LYS HA 24 LYS HB- 2.60 (# 1023:20 Unique 2.42, 2.78 A)
&rst
ixpk= 1023, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 376, 377,
&end
#
# 24 LYS HA 24 LYS HB+ 2.60 (# 1024:20 Unique 2.42, 2.78 A)
&rst
ixpk= 1024, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 376, 377,
&end
#
# 0 AMB 20-2:1025 24 LYS HB- 3.50 (# 1025:20 Single Ambig)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 385, 386, 385, 386,
igr2= 376, 377,
&end
#
# 0 AMB 20-2:1026 0 AMB 20-1:1026 3.50 (# 1026:20 Double Ambig)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 385, 386, 385, 386,
igr2= 376, 377, 376, 377,
&end
#
# 24 LYS HG- 24 LYS HB- 2.60 (# 1028:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 379, 380,
igr2= 376, 377,
&end
#
# 24 LYS HG+ 24 LYS HB+ 2.20 (# 1029:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 379, 380,
igr2= 376, 377,
&end
#
# 24 LYS HG- 24 LYS HB+ 2.60 (# 1030:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 379, 380,
igr2= 376, 377,
&end
#
# 24 LYS HG+ 24 LYS HB- 2.20 (# 1031:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 379, 380,
igr2= 376, 377,
&end
#
# 24 LYS HN 24 LYS HG+ 6.00 (# 1032:20 Unique 2.37, 4.16 A)
&rst
ixpk= 1032, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 379, 380,
&end
#
# 24 LYS HN 24 LYS HG- 6.00 (# 1033:20 Unique 2.37, 4.16 A)
&rst
ixpk= 1033, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 379, 380,
&end
#
# 25 THR HN 24 LYS HG+ 6.00 (# 1034:20 Unique 3.64, 4.51 A)
&rst
ixpk= 1034, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 379, 380,
&end
#
# 25 THR HN 24 LYS HG- 6.00 (# 1035:20 Unique 3.64, 4.51 A)
&rst
ixpk= 1035, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 379, 380,
&end
#
# 24 LYS HA 24 LYS HG+ 2.60 (# 1036:20 Unique 2.16, 2.85 A)
&rst
ixpk= 1036, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 379, 380,
&end
#
# 24 LYS HA 24 LYS HG- 3.50 (# 1037:20 Unique 2.16, 2.85 A)
&rst
ixpk= 1037, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 379, 380,
&end
#
# 0 AMB 20-2:1040 0 AMB 20-1:1040 2.60 (# 1040:20 Double Ambig)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 385, 386, 385, 386,
igr2= 379, 380, 379, 380,
&end
#
# 0 AMB 20-2:1041 24 LYS HG- 2.60 (# 1041:20 Single Ambig)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 385, 386, 385, 386,
igr2= 379, 380,
&end
#
# 0 AMB 20-2:1042 24 LYS HG- 2.60 (# 1042:20 Single Ambig)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 382, 383, 382, 383,
igr2= 379, 380,
&end
#
# 0 AMB 20-2:1043 0 AMB 20-1:1043 2.60 (# 1043:20 Double Ambig)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 382, 383, 382, 383,
igr2= 379, 380, 379, 380,
&end
#
# 24 LYS HB+ 24 LYS HG+ 2.60 (# 1044:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 376, 377,
igr2= 379, 380,
&end
#
# 24 LYS HB+ 24 LYS HG- 2.20 (# 1045:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 376, 377,
igr2= 379, 380,
&end
#
# 29 TRP HN 25 THR HA 6.00 (# 1046:20 Unique 3.92, 4.04 A)
&rst
ixpk= 1046, nxpk= 20, iat= 464, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 THR HN 25 THR HA 3.50 (# 1047:20 Unique 2.84, 2.86 A)
&rst
ixpk= 1047, nxpk= 20, iat= 394, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LYS HN 25 THR HA 6.00 (# 1048:20 Unique 4.31, 4.40 A)
&rst
ixpk= 1048, nxpk= 20, iat= 427, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 25 THR HA 6.00 (# 1049:20 Unique 3.58, 3.60 A)
&rst
ixpk= 1049, nxpk= 20, iat= 408, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HN 25 THR HA 3.50 (# 1050:20 Unique 3.11, 3.18 A)
&rst
ixpk= 1050, nxpk= 20, iat= 449, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 HIS HD2 25 THR HA 6.00 (# 1051:20 Unique)
&rst
ixpk= 1051, nxpk= 20, iat= 368, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HA 25 THR HA 6.00 (# 1052:20 Unique 5.12, 5.20 A)
&rst
ixpk= 1052, nxpk= 20, iat= 451, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 THR HB 25 THR HA 3.50 (# 1053:20 Unique 3.02, 3.03 A)
&rst
ixpk= 1053, nxpk= 20, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 GLU HG+ 25 THR HA 6.00 (# 1055:20 Unique 3.38, 3.83 A)
&rst
ixpk= 1055, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 457,
&end
#
# 28 GLU HB+ 25 THR HA 3.50 (# 1056:20 Unique 2.40, 3.36 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 453, 454,
&end
#
# 0 AMB 20-2:1057 25 THR HA 3.50 (# 1057:20 Single Ambig)
&rst
ixpk= 1057, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 453, 454, 456, 457,
&end
#
# 0 AMB 20-2:1058 25 THR HA 6.00 (# 1058:20 Single Ambig)
&rst
ixpk= 1058, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 376, 377,
&end
#
# 0 AMB 20-2:1059 25 THR HA 6.00 (# 1059:20 Single Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 431, 432, 431, 432,
&end
#
# 24 LYS HG- 25 THR HA 6.00 (# 1060:20 Unique 3.92, 5.26 A)
&rst
ixpk= 1060, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 380,
&end
#
# 25 THR MG2 25 THR HA 2.60 (# 1061:20 Unique 2.30, 3.02 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 400, 401, 402,
&end
#
# 16 ILE MD1 25 THR HA 6.00 (# 1062:20 Unique 4.58, 5.45 A)
&rst
ixpk= 1062, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 25 THR HN 25 THR HB 3.50 (# 1063:20 Unique 2.59, 2.66 A)
&rst
ixpk= 1063, nxpk= 20, iat= 394, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LEU HN 25 THR HB 3.50 (# 1064:20 Unique 2.71, 2.78 A)
&rst
ixpk= 1064, nxpk= 20, iat= 408, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 HIS HD2 25 THR HB 3.50 (# 1065:20 Unique)
&rst
ixpk= 1065, nxpk= 20, iat= 368, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 GLU HN 25 THR HB 6.00 (# 1066:20 Unique 5.35, 5.39 A)
&rst
ixpk= 1066, nxpk= 20, iat= 449, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 THR HA 25 THR HB 3.50 (# 1067:20 Unique 3.02, 3.03 A)
&rst
ixpk= 1067, nxpk= 20, iat= 396, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1068 25 THR HB 6.00 (# 1068:20 Single Ambig)
&rst
ixpk= 1068, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 412, 413, 376, 377,
&end
#
# 16 ILE HG1- 25 THR HB 6.00 (# 1069:20 Unique 3.28, 4.11 A)
&rst
ixpk= 1069, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 266, 267,
&end
#
# 0 AMB 20-2:1070 25 THR HB 2.60 (# 1070:20 Single Ambig)
&rst
ixpk= 1070, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 400, 401, 402, 262, 263, 264,
&end
#
# 16 ILE MD1 25 THR HB 3.50 (# 1071:20 Unique 2.33, 3.49 A)
&rst
ixpk= 1071, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 269, 270, 271,
&end
#
# 0 AMB 20-2:1072 25 THR HB 6.00 (# 1072:20 Single Ambig)
&rst
ixpk= 1072, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 453, 454, 456, 457,
&end
#
# 29 TRP HE1 25 THR MG2 2.60 (# 1073:20 Unique 2.47, 2.82 A)
&rst
ixpk= 1073, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 400, 401, 402,
&end
#
# 29 TRP HN 25 THR MG2 6.00 (# 1074:20 Unique 4.40, 5.01 A)
&rst
ixpk= 1074, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 0 AMB 20-2:1075 25 THR MG2 6.00 (# 1075:20 Single Ambig)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 256, 488,
igr2= 400, 401, 402,
&end
#
# 9 ASN HN 25 THR MG2 6.00 (# 1076:20 Unique 6.64, 7.29 A)
&rst
ixpk= 1076, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 25 THR HN 25 THR MG2 6.00 (# 1077:20 Unique 4.41, 4.57 A)
&rst
ixpk= 1077, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 26 LEU HN 25 THR MG2 6.00 (# 1078:20 Unique 3.85, 4.58 A)
&rst
ixpk= 1078, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 0 AMB 20-2:1079 25 THR MG2 6.00 (# 1079:20 Single Ambig)
&rst
ixpk= 1079, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 14 GLU HN 25 THR MG2 6.00 (# 1080:20 Unique 6.58, 7.08 A)
&rst
ixpk= 1080, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 0 AMB 20-2:1081 25 THR MG2 2.60 (# 1081:20 Single Ambig)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 477, 472,
igr2= 400, 401, 402,
&end
#
# 29 TRP HH2 25 THR MG2 6.00 (# 1082:20 Unique 4.62, 5.41 A)
&rst
ixpk= 1082, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 28 GLU HA 25 THR MG2 6.00 (# 1083:20 Unique 6.46, 7.35 A)
&rst
ixpk= 1083, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 25 THR HA 25 THR MG2 2.20 (# 1084:20 Unique 2.30, 3.02 A)
&rst
ixpk= 1084, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 400, 401, 402,
&end
#
# 25 THR HB 25 THR MG2 2.60 (# 1085:20 Unique 2.37, 2.68 A)
&rst
ixpk= 1085, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 400, 401, 402,
&end
#
# 26 LEU HA 25 THR MG2 6.00 (# 1086:20 Unique 3.84, 4.94 A)
&rst
ixpk= 1086, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 0 AMB 20-2:1087 25 THR MG2 6.00 (# 1087:20 Single Ambig)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 453, 454, 162, 163,
igr2= 400, 401, 402,
&end
#
# 0 AMB 20-2:1088 25 THR MG2 3.50 (# 1088:20 Single Ambig)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 229, 230, 453, 454, 456, 457,
igr2= 400, 401, 402,
&end
#
# 0 AMB 20-2:1089 25 THR MG2 6.00 (# 1089:20 Single Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 412, 413, 376, 377,
igr2= 400, 401, 402,
&end
#
# 16 ILE HG1- 25 THR MG2 3.50 (# 1090:20 Unique 3.02, 4.43 A)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 266, 267,
igr2= 400, 401, 402,
&end
#
# 16 ILE MD1 25 THR MG2 2.60 (# 1093:20 Unique 2.60, 4.34 A)
&rst
ixpk= 1093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 269, 270, 271,
igr2= 400, 401, 402,
&end
#
# 29 TRP HA 25 THR MG2 6.00 (# 1094:20 Unique 6.05, 6.62 A)
&rst
ixpk= 1094, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 29 TRP HN 26 LEU HA 6.00 (# 1095:20 Unique 3.23, 3.37 A)
&rst
ixpk= 1095, nxpk= 20, iat= 464, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HN 26 LEU HA 6.00 (# 1096:20 Unique 3.84, 3.98 A)
&rst
ixpk= 1096, nxpk= 20, iat= 488, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1097 26 LEU HA 6.00 (# 1097:20 Single Ambig)
&rst
ixpk= 1097, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 394, 275,
&end
#
# 27 LYS HN 26 LEU HA 6.00 (# 1098:20 Unique 3.54, 3.56 A)
&rst
ixpk= 1098, nxpk= 20, iat= 427, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 26 LEU HA 3.50 (# 1099:20 Unique 2.87, 2.88 A)
&rst
ixpk= 1099, nxpk= 20, iat= 408, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1100 26 LEU HA 6.00 (# 1100:20 Single Ambig)
&rst
ixpk= 1100, nxpk= 20, iat= 449, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1102 26 LEU HA 6.00 (# 1102:20 Single Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 396, 429,
&end
#
# 29 TRP HB+ 26 LEU HA 3.50 (# 1103:20 Unique 2.61, 3.63 A)
&rst
ixpk= 1103, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 468, 469,
&end
#
# 29 TRP HB- 26 LEU HA 6.00 (# 1104:20 Unique 2.61, 3.63 A)
&rst
ixpk= 1104, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 468, 469,
&end
#
# 0 AMB 20-2:1106 26 LEU HA 6.00 (# 1106:20 Single Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 358, 359, 358, 359, 501, 502,
&end
#
# 0 AMB 20-2:1107 26 LEU HA 6.00 (# 1107:20 Single Ambig)
&rst
ixpk= 1107, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 495, 496, 431, 432, 431, 432,
&end
#
# 26 LEU HB+ 26 LEU HA 3.50 (# 1108:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 412, 413,
&end
#
# 0 AMB 20-2:1109 26 LEU HA 6.00 (# 1109:20 Single Ambig)
&rst
ixpk= 1109, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 260, 434, 435,
&end
#
# 26 LEU HB- 26 LEU HA 2.60 (# 1110:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 412, 413,
&end
#
# 0 AMB 20-2:1111 26 LEU HA 3.50 (# 1111:20 Single Ambig)
&rst
ixpk= 1111, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 415, 266, 267,
&end
#
# 0 AMB 20-2:1112 26 LEU HA 6.00 (# 1112:20 Single Ambig)
&rst
ixpk= 1112, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 618, 619, 620, 622, 623, 624, 162, 163,
&end
#
# 0 AMB 20-2:1113 26 LEU HA 3.50 (# 1113:20 Single Ambig)
&rst
ixpk= 1113, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 400, 401, 402, 618, 619, 620, 622, 623, 624, 262,
263, 264,
&end
#
# 26 LEU MDX 26 LEU HA 3.50 (# 1114:20 Unique 2.22, 3.72 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU MDY 26 LEU HA 2.60 (# 1115:20 Unique 2.22, 3.72 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 16 ILE MD1 26 LEU HA 3.50 (# 1116:20 Unique 2.66, 2.96 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 269, 270, 271,
&end
#
# 0 AMB 20-2:1117 26 LEU HB- 6.00 (# 1117:20 Single Ambig)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 394, 275,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:1118 0 AMB 20-1:1118 6.00 (# 1118:20 Double Ambig)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 394, 275,
igr2= 412, 413, 412, 413,
&end
#
# 27 LYS HN 26 LEU HB+ 3.50 (# 1119:20 Unique 2.53, 3.32 A)
&rst
ixpk= 1119, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 412, 413,
&end
#
# 26 LEU HN 26 LEU HB+ 3.50 (# 1120:20 Unique 2.38, 2.50 A)
&rst
ixpk= 1120, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 412, 413,
&end
#
# 27 LYS HN 26 LEU HB- 3.50 (# 1121:20 Unique 2.53, 3.32 A)
&rst
ixpk= 1121, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 412, 413,
&end
#
# 26 LEU HN 26 LEU HB- 3.50 (# 1122:20 Unique 2.38, 2.50 A)
&rst
ixpk= 1122, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 412, 413,
&end
#
# 23 HIS HN 26 LEU HB- 6.00 (# 1123:20 Unique 2.36, 3.54 A)
&rst
ixpk= 1123, nxpk= 20, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 412, 413,
&end
#
# 23 HIS HN 26 LEU HB+ 6.00 (# 1124:20 Unique 2.36, 3.54 A)
&rst
ixpk= 1124, nxpk= 20, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:1125 0 AMB 20-1:1125 6.00 (# 1125:20 Double Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:1126 26 LEU HB- 6.00 (# 1126:20 Single Ambig)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 398, 468, 469,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:1127 26 LEU HB- 6.00 (# 1127:20 Single Ambig)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 429, 374, 396,
igr2= 412, 413,
&end
#
# 26 LEU HA 26 LEU HB+ 3.50 (# 1128:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1128, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 412, 413,
&end
#
# 26 LEU HA 26 LEU HB- 3.50 (# 1129:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1129, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:1132 0 AMB 20-1:1132 3.50 (# 1132:20 Double Ambig)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 358, 359, 358, 359,
igr2= 412, 413, 412, 413,
&end
#
# 0 AMB 20-2:1133 26 LEU HB- 3.50 (# 1133:20 Single Ambig)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 358, 359, 358, 359,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:1134 0 AMB 20-1:1134 6.00 (# 1134:20 Double Ambig)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 431, 432, 431, 432,
igr2= 412, 413, 412, 413,
&end
#
# 0 AMB 20-2:1135 26 LEU HB- 6.00 (# 1135:20 Single Ambig)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 431, 432, 431, 432, 495, 496,
igr2= 412, 413,
&end
#
# 26 LEU HG 26 LEU HB+ 2.60 (# 1136:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1136, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 412, 413,
&end
#
# 26 LEU HG 26 LEU HB- 2.60 (# 1137:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1137, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 412, 413,
&end
#
# 16 ILE MG2 26 LEU HB- 6.00 (# 1138:20 Unique 2.76, 4.91 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 262, 263, 264,
igr2= 412, 413,
&end
#
# 16 ILE MG2 26 LEU HB+ 6.00 (# 1139:20 Unique 2.76, 4.91 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 262, 263, 264,
igr2= 412, 413,
&end
#
# 38 VAL MGY 26 LEU HB- 6.00 (# 1140:20 Unique 5.41, 7.15 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 412, 413,
&end
#
# 38 VAL MGY 26 LEU HB+ 6.00 (# 1141:20 Unique 5.41, 7.15 A)
&rst
ixpk= 1141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 412, 413,
&end
#
# 26 LEU MDX 26 LEU HB+ 2.60 (# 1142:20 Unique 2.37, 3.41 A)
&rst
ixpk= 1142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 412, 413,
&end
#
# 26 LEU MDX 26 LEU HB- 2.60 (# 1143:20 Unique 2.37, 3.41 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 412, 413,
&end
#
# 26 LEU MDY 26 LEU HB- 3.50 (# 1144:20 Unique 2.37, 3.41 A)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 412, 413,
&end
#
# 26 LEU MDY 26 LEU HB+ 3.50 (# 1145:20 Unique 2.37, 3.41 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 412, 413,
&end
#
# 16 ILE MD1 26 LEU HB+ 6.00 (# 1146:20 Unique 2.24, 3.51 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 269, 270, 271,
igr2= 412, 413,
&end
#
# 16 ILE MD1 26 LEU HB- 3.50 (# 1147:20 Unique 2.24, 3.51 A)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 269, 270, 271,
igr2= 412, 413,
&end
#
# 26 LEU HN 0 AMB 20-1:1148 6.00 (# 1148:20 Single Ambig)
&rst
ixpk= 1148, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 415, 266, 267,
&end
#
# 27 LYS HN 26 LEU HG 6.00 (# 1149:20 Unique 3.92, 4.24 A)
&rst
ixpk= 1149, nxpk= 20, iat= 427, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HE- 26 LEU HG 6.00 (# 1150:20 Unique 2.62, 4.20 A)
&rst
ixpk= 1150, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 0 AMB 20-2:1151 16 ILE HG1- 6.00 (# 1151:20 Single Ambig)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 229, 230, 105, 106,
igr2= 266, 267,
&end
#
# 0 AMB 20-2:1152 26 LEU HG 2.60 (# 1152:20 Single Ambig)
&rst
ixpk= 1152, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 412, 413, 492, 493,
&end
#
# 29 TRP HN 26 LEU MDX 6.00 (# 1154:20 Unique 4.57, 6.50 A)
&rst
ixpk= 1154, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:1155 26 LEU MDX 6.00 (# 1155:20 Single Ambig)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 275, 394,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 30 LYS HN 26 LEU MDX 6.00 (# 1156:20 Unique 3.64, 5.77 A)
&rst
ixpk= 1156, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 27 LYS HN 26 LEU MDX 6.00 (# 1157:20 Unique 3.63, 5.45 A)
&rst
ixpk= 1157, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU HN 26 LEU MDX 6.00 (# 1158:20 Unique 4.63, 5.20 A)
&rst
ixpk= 1158, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:1160 26 LEU MDX 6.00 (# 1160:20 Single Ambig)
&rst
ixpk= 1160, nxpk= 20, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 7 TYR HD 26 LEU MDX 6.00 (# 1161:20 Unique 3.01, 4.70 A)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 123, 132,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 7 TYR HE 26 LEU MDX 3.50 (# 1162:20 Unique 3.07, 4.71 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 125, 130,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 39 GLU HA 26 LEU MDX 6.00 (# 1163:20 Unique 4.80, 6.39 A)
&rst
ixpk= 1163, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 21 GLY HA+ 26 LEU MDX 5.50 (# 1164:20 Unique)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 335, 336,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 18 THR HB 26 LEU MDX 6.00 (# 1165:20 Unique 4.19, 6.28 A)
&rst
ixpk= 1165, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 21 GLY HA- 26 LEU MDX 6.00 (# 1166:20 Unique 3.41, 6.01 A)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 335, 336,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 29 TRP HB+ 26 LEU MDX 6.00 (# 1167:20 Unique 2.82, 5.84 A)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 468, 469,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU HA 26 LEU MDX 3.50 (# 1168:20 Unique 2.22, 3.72 A)
&rst
ixpk= 1168, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 30 LYS HE+ 26 LEU MDX 3.50 (# 1169:20 Unique 2.42, 4.97 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 501, 502,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 30 LYS HE- 26 LEU MDX 3.50 (# 1171:20 Unique 2.42, 4.97 A)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 501, 502,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:1172 26 LEU MDX 6.00 (# 1172:20 Single Ambig)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 495, 496, 431, 432, 431, 432,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:1173 26 LEU MDX 2.60 (# 1173:20 Single Ambig)
&rst
ixpk= 1173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 412, 413, 492, 493,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 16 ILE HB 26 LEU MDX 6.00 (# 1174:20 Unique 3.91, 5.77 A)
&rst
ixpk= 1174, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU HG 26 LEU MDX 2.20 (# 1175:20 Unique 2.34, 2.65 A)
&rst
ixpk= 1175, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:1176 26 LEU MDX 2.60 (# 1176:20 Single Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 296, 297, 298, 412, 413,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 38 VAL MGY 26 LEU MDX 3.50 (# 1177:20 Unique 2.28, 5.43 A)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 16 ILE MD1 26 LEU MDX 6.00 (# 1179:20 Unique 2.28, 4.69 A)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 269, 270, 271,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 29 TRP HN 26 LEU MDY 6.00 (# 1180:20 Unique 4.57, 6.50 A)
&rst
ixpk= 1180, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 30 LYS HN 26 LEU MDY 6.00 (# 1181:20 Unique 3.64, 5.77 A)
&rst
ixpk= 1181, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:1182 26 LEU MDY 6.00 (# 1182:20 Single Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 275, 394,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 27 LYS HN 26 LEU MDY 6.00 (# 1183:20 Unique 3.63, 5.45 A)
&rst
ixpk= 1183, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU HN 26 LEU MDY 6.00 (# 1184:20 Unique 4.63, 5.20 A)
&rst
ixpk= 1184, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 28 GLU HN 26 LEU MDY 6.00 (# 1185:20 Unique 5.67, 7.18 A)
&rst
ixpk= 1185, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 41 TRP HE3 26 LEU MDY 6.00 (# 1186:20 Unique 5.27, 7.36 A)
&rst
ixpk= 1186, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 7 TYR HD 26 LEU MDY 3.50 (# 1189:20 Unique 3.01, 4.70 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 123, 132,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 7 TYR HE 26 LEU MDY 3.50 (# 1190:20 Unique 3.07, 4.71 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 125, 130,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 18 THR HB 26 LEU MDY 6.00 (# 1192:20 Unique 4.19, 6.28 A)
&rst
ixpk= 1192, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 27 LYS HA 26 LEU MDY 6.00 (# 1193:20 Unique 3.41, 6.01 A)
&rst
ixpk= 1193, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 29 TRP HB+ 26 LEU MDY 3.50 (# 1194:20 Unique 2.82, 5.84 A)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 468, 469,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU HA 26 LEU MDY 2.60 (# 1195:20 Unique 2.22, 3.72 A)
&rst
ixpk= 1195, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 30 LYS HE+ 26 LEU MDY 3.50 (# 1197:20 Unique 2.42, 4.97 A)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 501, 502,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 30 LYS HE- 26 LEU MDY 3.50 (# 1198:20 Unique 2.42, 4.97 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 501, 502,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:1199 26 LEU MDY 3.50 (# 1199:20 Single Ambig)
&rst
ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 495, 496, 431, 432, 431, 432, 614,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:1200 26 LEU MDY 3.50 (# 1200:20 Single Ambig)
&rst
ixpk= 1200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 412, 413, 492, 493,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 16 ILE HB 26 LEU MDY 6.00 (# 1201:20 Unique 3.91, 5.77 A)
&rst
ixpk= 1201, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU HG 26 LEU MDY 2.20 (# 1202:20 Unique 2.34, 2.65 A)
&rst
ixpk= 1202, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:1203 26 LEU MDY 2.60 (# 1203:20 Single Ambig)
&rst
ixpk= 1203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 296, 297, 298, 412, 413,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 38 VAL MGY 26 LEU MDY 2.60 (# 1204:20 Unique 2.28, 5.43 A)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 16 ILE MD1 26 LEU MDY 2.60 (# 1206:20 Unique 2.28, 4.69 A)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 269, 270, 271,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 29 TRP HB- 26 LEU MDY 6.00 (# 1207:20 Unique 2.82, 5.84 A)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 468, 469,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 30 LYS HN 27 LYS HA 6.00 (# 1208:20 Unique 3.31, 3.45 A)
&rst
ixpk= 1208, nxpk= 20, iat= 488, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HN 0 AMB 20-1:1209 6.00 (# 1209:20 Single Ambig)
&rst
ixpk= 1209, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 429, 374,
&end
#
# 27 LYS HN 0 AMB 20-1:1210 3.50 (# 1210:20 Single Ambig)
&rst
ixpk= 1210, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 429, 374,
&end
#
# 26 LEU HN 0 AMB 20-1:1211 6.00 (# 1211:20 Single Ambig)
&rst
ixpk= 1211, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 374, 429,
&end
#
# 31 ALA HN 27 LYS HA 6.00 (# 1212:20 Unique 3.95, 4.03 A)
&rst
ixpk= 1212, nxpk= 20, iat= 510, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HN 0 AMB 20-1:1213 3.50 (# 1213:20 Single Ambig)
&rst
ixpk= 1213, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 429, 374,
&end
#
# 0 AMB 20-2:1214 0 AMB 20-1:1214 6.00 (# 1214:20 Double Ambig)
&rst
ixpk= 1214, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 0 AMB 20-2:1215 0 AMB 20-1:1215 6.00 (# 1215:20 Double Ambig)
&rst
ixpk= 1215, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 457,
&end
#
# 27 LYS HN 0 AMB 20-1:1216 2.60 (# 1216:20 Single Ambig)
&rst
ixpk= 1216, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 431, 432, 431, 432,
&end
#
# 26 LEU HN 0 AMB 20-1:1217 6.00 (# 1217:20 Single Ambig)
&rst
ixpk= 1217, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 431, 432, 431, 432,
&end
#
# 28 GLU HN 0 AMB 20-1:1218 2.60 (# 1218:20 Single Ambig)
&rst
ixpk= 1218, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:1219 0 AMB 20-1:1219 2.60 (# 1219:20 Double Ambig)
&rst
ixpk= 1219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 374, 429,
igr2= 431, 432, 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:1220 0 AMB 20-1:1220 3.50 (# 1220:20 Double Ambig)
&rst
ixpk= 1220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 440, 441,
igr2= 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:1221 0 AMB 20-1:1221 3.50 (# 1221:20 Double Ambig)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 440, 441,
igr2= 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:1222 0 AMB 20-1:1222 3.50 (# 1222:20 Double Ambig)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 437, 438, 437, 438,
igr2= 431, 432, 431, 432,
&end
#
# 27 LYS HG- 0 AMB 20-1:1223 2.20 (# 1223:20 Single Ambig)
&rst
ixpk= 1223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 434, 435,
igr2= 431, 432, 431, 432,
&end
#
# 27 LYS HN 27 LYS HG- 4.30 (# 1224:20 Unique 4.44, 4.49 A)
&rst
ixpk= 1224, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 434, 435,
&end
#
# 27 LYS HN 27 LYS HG+ 4.30 (# 1225:20 Unique 4.44, 4.49 A)
&rst
ixpk= 1225, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 434, 435,
&end
#
# 28 GLU HN 27 LYS HG+ 6.00 (# 1226:20 Unique 4.24, 4.62 A)
&rst
ixpk= 1226, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:1227 0 AMB 20-1:1227 6.00 (# 1227:20 Double Ambig)
&rst
ixpk= 1227, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:1228 0 AMB 20-1:1228 6.00 (# 1228:20 Double Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 451, 512,
igr2= 434, 435, 434, 435,
&end
#
# 0 AMB 20-2:1230 27 LYS HG- 3.50 (# 1230:20 Single Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:1231 0 AMB 20-1:1231 3.50 (# 1231:20 Double Ambig)
&rst
ixpk= 1231, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:1232 0 AMB 20-1:1232 3.50 (# 1232:20 Double Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 440, 441,
igr2= 434, 435,
&end
#
# 27 LYS HE+ 27 LYS HG+ 3.50 (# 1233:20 Unique 2.37, 2.94 A)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 440, 441,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:1234 27 LYS HG- 3.50 (# 1234:20 Single Ambig)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 440, 441,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:1235 0 AMB 20-1:1235 2.20 (# 1235:20 Double Ambig)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 431, 432, 431, 432,
igr2= 434, 435, 434, 435,
&end
#
# 0 AMB 20-2:1236 27 LYS HG- 2.20 (# 1236:20 Single Ambig)
&rst
ixpk= 1236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 431, 432, 431, 432,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:1237 0 AMB 20-1:1237 2.60 (# 1237:20 Double Ambig)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 437, 438,
igr2= 434, 435,
&end
#
# 30 LYS HN 27 LYS HD- 6.00 (# 1238:20 Unique 5.57, 6.31 A)
&rst
ixpk= 1238, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 437, 438,
&end
#
# 30 LYS HN 0 AMB 20-1:1239 6.00 (# 1239:20 Single Ambig)
&rst
ixpk= 1239, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 498, 499, 437, 438,
&end
#
# 27 LYS HN 0 AMB 20-1:1240 6.00 (# 1240:20 Single Ambig)
&rst
ixpk= 1240, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 437, 438, 498, 499,
&end
#
# 27 LYS HN 0 AMB 20-1:1241 6.00 (# 1241:20 Single Ambig)
&rst
ixpk= 1241, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 437, 438,
&end
#
# 0 AMB 20-2:1242 0 AMB 20-1:1242 6.00 (# 1242:20 Double Ambig)
&rst
ixpk= 1242, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 437, 438,
&end
#
# 28 GLU HN 27 LYS HD+ 6.00 (# 1243:20 Unique 2.90, 3.35 A)
&rst
ixpk= 1243, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 437, 438,
&end
#
# 0 AMB 20-2:1245 0 AMB 20-1:1245 2.60 (# 1245:20 Double Ambig)
&rst
ixpk= 1245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 374, 429,
igr2= 437, 438, 498, 499, 437, 438,
&end
#
# 26 LEU HA 0 AMB 20-1:1246 6.00 (# 1246:20 Single Ambig)
&rst
ixpk= 1246, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 498, 499, 437, 438,
&end
#
# 0 AMB 20-2:1247 0 AMB 20-1:1247 6.00 (# 1247:20 Double Ambig)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 24, 25, 24, 25, 24, 25,
igr2= 314, 315, 314, 315, 314, 315,
&end
#
# 27 LYS HE- 27 LYS HD+ 2.60 (# 1249:20 Unique 2.29, 2.72 A)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 440, 441,
igr2= 437, 438,
&end
#
# 27 LYS HE- 0 AMB 20-1:1250 2.60 (# 1250:20 Single Ambig)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 440, 441,
igr2= 437, 438,
&end
#
# 30 LYS HG- 30 LYS HD+ 6.00 (# 1251:20 Unique 2.33, 2.64 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496,
igr2= 498, 499,
&end
#
# 24 LYS HN 0 AMB 20-1:1253 6.00 (# 1253:20 Single Ambig)
&rst
ixpk= 1253, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 385, 386, 385, 386,
&end
#
# 27 LYS HN 0 AMB 20-1:1254 6.00 (# 1254:20 Single Ambig)
&rst
ixpk= 1254, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 440, 441,
&end
#
# 27 LYS HN 27 LYS HE- 6.00 (# 1255:20 Unique 6.25, 6.40 A)
&rst
ixpk= 1255, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 440, 441,
&end
#
# 0 AMB 20-2:1257 0 AMB 20-1:1257 3.50 (# 1257:20 Double Ambig)
&rst
ixpk= 1257, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 385, 386, 385, 386,
&end
#
# 0 AMB 20-2:1258 27 LYS HE- 4.30 (# 1258:20 Single Ambig)
&rst
ixpk= 1258, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 440, 441,
&end
#
# 0 AMB 20-2:1263 27 LYS HE- 2.60 (# 1263:20 Single Ambig)
&rst
ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 431, 432, 431, 432,
igr2= 440, 441,
&end
#
# 0 AMB 20-2:1264 27 LYS HE- 2.20 (# 1264:20 Single Ambig)
&rst
ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 437, 438, 434, 435,
igr2= 440, 441,
&end
#
# 0 AMB 20-2:1265 27 LYS HE- 2.60 (# 1265:20 Single Ambig)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 437, 438,
igr2= 440, 441,
&end
#
# 27 LYS HG- 27 LYS HE- 2.60 (# 1266:20 Unique 2.37, 2.94 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 434, 435,
igr2= 440, 441,
&end
#
# 0 AMB 20-2:1267 0 AMB 20-1:1267 2.60 (# 1267:20 Double Ambig)
&rst
ixpk= 1267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 379, 380, 379, 380, 434, 435,
igr2= 385, 386, 385, 386, 440, 441,
&end
#
# 0 AMB 20-2:1268 0 AMB 20-1:1268 2.60 (# 1268:20 Double Ambig)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 437, 438,
igr2= 440, 441,
&end
#
# 24 LYS HG- 0 AMB 20-1:1271 2.60 (# 1271:20 Single Ambig)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 379, 380,
igr2= 385, 386, 385, 386,
&end
#
# 0 AMB 20-2:1273 0 AMB 20-1:1273 2.60 (# 1273:20 Double Ambig)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 431, 432, 431, 432,
igr2= 440, 441,
&end
#
# 0 AMB 20-2:1274 0 AMB 20-1:1274 2.60 (# 1274:20 Double Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 437, 438,
igr2= 440, 441,
&end
#
# 0 AMB 20-2:1275 0 AMB 20-1:1275 2.60 (# 1275:20 Double Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 376, 377, 437, 438, 434, 435,
igr2= 385, 386, 385, 386, 440, 441, 440, 441,
&end
#
# 29 TRP HN 28 GLU HA 3.50 (# 1276:20 Unique 3.54, 3.55 A)
&rst
ixpk= 1276, nxpk= 20, iat= 464, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LYS HN 28 GLU HA 6.00 (# 1277:20 Unique 4.38, 4.45 A)
&rst
ixpk= 1277, nxpk= 20, iat= 488, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ALA HN 28 GLU HA 3.50 (# 1278:20 Unique 3.13, 3.27 A)
&rst
ixpk= 1278, nxpk= 20, iat= 510, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LYS HN 28 GLU HA 6.00 (# 1279:20 Unique 5.20, 5.22 A)
&rst
ixpk= 1279, nxpk= 20, iat= 427, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HN 28 GLU HA 2.80 (# 1280:20 Unique 2.80, 2.81 A)
&rst
ixpk= 1280, nxpk= 20, iat= 449, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 LYS HN 28 GLU HA 6.00 (# 1281:20 Unique 3.66, 3.69 A)
&rst
ixpk= 1281, nxpk= 20, iat= 520, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HG+ 28 GLU HA 2.80 (# 1282:20 Unique 2.38, 3.02 A)
&rst
ixpk= 1282, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 456, 457,
&end
#
# 0 AMB 20-2:1283 28 GLU HA 2.60 (# 1283:20 Single Ambig)
&rst
ixpk= 1283, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 453, 454, 533, 534,
&end
#
# 0 AMB 20-2:1284 28 GLU HA 2.20 (# 1284:20 Single Ambig)
&rst
ixpk= 1284, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 456, 457, 453, 454,
&end
#
# 0 AMB 20-2:1285 28 GLU HA 6.00 (# 1285:20 Single Ambig)
&rst
ixpk= 1285, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 431, 432, 431, 432, 495, 496,
&end
#
# 0 AMB 20-2:1286 28 GLU HA 6.00 (# 1286:20 Single Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 437, 438, 434, 435,
&end
#
# 0 AMB 20-2:1287 28 GLU HA 6.00 (# 1287:20 Single Ambig)
&rst
ixpk= 1287, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 524, 525,
&end
#
# 31 ALA MB 28 GLU HA 2.60 (# 1288:20 Unique 2.51, 3.28 A)
&rst
ixpk= 1288, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 514, 515, 516,
&end
#
# 25 THR MG2 28 GLU HA 6.00 (# 1289:20 Unique 6.46, 7.35 A)
&rst
ixpk= 1289, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 400, 401, 402,
&end
#
# 29 TRP HN 28 GLU HB+ 3.50 (# 1290:20 Unique 2.72, 3.21 A)
&rst
ixpk= 1290, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 453, 454,
&end
#
# 29 TRP HN 28 GLU HB- 3.50 (# 1291:20 Unique 2.72, 3.21 A)
&rst
ixpk= 1291, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 453, 454,
&end
#
# 30 LYS HN 28 GLU HB- 6.00 (# 1292:20 Unique 5.19, 5.46 A)
&rst
ixpk= 1292, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 27 LYS HN 28 GLU HB+ 6.00 (# 1293:20 Unique 4.82, 5.56 A)
&rst
ixpk= 1293, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 31 ALA HN 28 GLU HB+ 6.00 (# 1294:20 Unique 5.06, 5.34 A)
&rst
ixpk= 1294, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 31 ALA HN 28 GLU HB- 6.00 (# 1295:20 Unique 5.06, 5.34 A)
&rst
ixpk= 1295, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 27 LYS HN 28 GLU HB- 6.00 (# 1296:20 Unique 4.82, 5.56 A)
&rst
ixpk= 1296, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 28 GLU HN 28 GLU HB+ 2.60 (# 1297:20 Unique 2.34, 2.99 A)
&rst
ixpk= 1297, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 453, 454,
&end
#
# 28 GLU HN 28 GLU HB- 2.60 (# 1298:20 Unique 2.34, 2.99 A)
&rst
ixpk= 1298, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 453, 454,
&end
#
# 32 LYS HN 28 GLU HB- 6.00 (# 1299:20 Unique 4.39, 5.05 A)
&rst
ixpk= 1299, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 32 LYS HN 28 GLU HB+ 6.00 (# 1300:20 Unique 4.39, 5.05 A)
&rst
ixpk= 1300, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 29 TRP HD1 28 GLU HB+ 6.00 (# 1301:20 Unique 3.04, 3.40 A)
&rst
ixpk= 1301, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 29 TRP HD1 28 GLU HB- 6.00 (# 1302:20 Unique 3.04, 3.40 A)
&rst
ixpk= 1302, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 453, 454,
&end
#
# 28 GLU HA 28 GLU HB+ 2.60 (# 1303:20 Unique 2.53, 2.78 A)
&rst
ixpk= 1303, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 453, 454,
&end
#
# 28 GLU HA 28 GLU HB- 2.60 (# 1304:20 Unique 2.53, 2.78 A)
&rst
ixpk= 1304, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 453, 454,
&end
#
# 25 THR HA 28 GLU HB- 3.50 (# 1305:20 Unique 2.40, 3.36 A)
&rst
ixpk= 1305, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 453, 454,
&end
#
# 25 THR HA 28 GLU HB+ 3.50 (# 1306:20 Unique 2.40, 3.36 A)
&rst
ixpk= 1306, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:1307 0 AMB 20-1:1307 6.00 (# 1307:20 Double Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 468, 469, 398,
igr2= 453, 454, 453, 454,
&end
#
# 28 GLU HG+ 28 GLU HB+ 2.60 (# 1308:20 Unique 2.35, 2.68 A)
&rst
ixpk= 1308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 456, 457,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:1309 28 GLU HB- 2.60 (# 1309:20 Single Ambig)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 533, 534, 456, 457,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:1310 0 AMB 20-1:1310 6.00 (# 1310:20 Double Ambig)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 431, 432, 431, 432,
igr2= 453, 454, 453, 454,
&end
#
# 0 AMB 20-2:1311 28 GLU HB- 6.00 (# 1311:20 Single Ambig)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 431, 432, 431, 432,
igr2= 453, 454,
&end
#
# 31 ALA MB 28 GLU HB- 6.00 (# 1312:20 Unique 4.05, 5.71 A)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 514, 515, 516,
igr2= 453, 454,
&end
#
# 31 ALA MB 28 GLU HB+ 6.00 (# 1313:20 Unique 4.05, 5.71 A)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 514, 515, 516,
igr2= 453, 454,
&end
#
# 25 THR MG2 28 GLU HB+ 6.00 (# 1314:20 Unique 3.50, 5.17 A)
&rst
ixpk= 1314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 400, 401, 402,
igr2= 453, 454,
&end
#
# 25 THR MG2 28 GLU HB- 6.00 (# 1315:20 Unique 3.50, 5.17 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 400, 401, 402,
igr2= 453, 454,
&end
#
# 29 TRP HN 28 GLU HG+ 3.50 (# 1316:20 Unique 4.59, 4.87 A)
&rst
ixpk= 1316, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 456, 457,
&end
#
# 30 LYS HN 28 GLU HG+ 6.00 (# 1317:20 Unique 6.23, 6.69 A)
&rst
ixpk= 1317, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457,
&end
#
# 29 TRP HN 28 GLU HG- 3.50 (# 1318:20 Unique 4.59, 4.87 A)
&rst
ixpk= 1318, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 456, 457,
&end
#
# 30 LYS HN 28 GLU HG- 6.00 (# 1319:20 Unique 6.23, 6.69 A)
&rst
ixpk= 1319, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457,
&end
#
# 27 LYS HN 28 GLU HG+ 6.00 (# 1321:20 Unique 4.77, 5.46 A)
&rst
ixpk= 1321, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457,
&end
#
# 27 LYS HN 28 GLU HG- 6.00 (# 1322:20 Unique 4.77, 5.46 A)
&rst
ixpk= 1322, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457,
&end
#
# 32 LYS HN 28 GLU HG+ 6.00 (# 1323:20 Unique 5.51, 6.39 A)
&rst
ixpk= 1323, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457,
&end
#
# 28 GLU HN 28 GLU HG- 2.60 (# 1324:20 Unique 2.54, 3.15 A)
&rst
ixpk= 1324, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 456, 457,
&end
#
# 32 LYS HN 28 GLU HG- 6.00 (# 1325:20 Unique 5.51, 6.39 A)
&rst
ixpk= 1325, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457,
&end
#
# 29 TRP HD1 28 GLU HG+ 6.00 (# 1326:20 Unique 5.40, 5.66 A)
&rst
ixpk= 1326, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457,
&end
#
# 28 GLU HN 28 GLU HG+ 2.60 (# 1327:20 Unique 2.54, 3.15 A)
&rst
ixpk= 1327, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 456, 457,
&end
#
# 29 TRP HD1 28 GLU HG- 6.00 (# 1328:20 Unique 5.40, 5.66 A)
&rst
ixpk= 1328, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457,
&end
#
# 28 GLU HA 28 GLU HG+ 2.80 (# 1329:20 Unique 2.38, 3.02 A)
&rst
ixpk= 1329, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 456, 457,
&end
#
# 28 GLU HA 28 GLU HG- 2.80 (# 1330:20 Unique 2.38, 3.02 A)
&rst
ixpk= 1330, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 456, 457,
&end
#
# 0 AMB 20-2:1332 28 GLU HG- 3.50 (# 1332:20 Single Ambig)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 396, 429,
igr2= 456, 457,
&end
#
# 0 AMB 20-2:1333 0 AMB 20-1:1333 3.50 (# 1333:20 Double Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 396, 429,
igr2= 456, 457, 456, 457,
&end
#
# 0 AMB 20-2:1334 0 AMB 20-1:1334 6.00 (# 1334:20 Double Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 398, 468, 469,
igr2= 456, 457, 456, 457,
&end
#
# 28 GLU HB+ 28 GLU HG+ 2.20 (# 1335:20 Unique 2.35, 2.68 A)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 453, 454,
igr2= 456, 457,
&end
#
# 28 GLU HB+ 28 GLU HG- 2.20 (# 1336:20 Unique 2.35, 2.68 A)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 453, 454,
igr2= 456, 457,
&end
#
# 0 AMB 20-2:1337 0 AMB 20-1:1337 6.00 (# 1337:20 Double Ambig)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 431, 432, 431, 432,
igr2= 456, 457, 456, 457,
&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= 7.56, r4= 8.06,
igr1= 376, 377,
igr2= 456, 457,
&end
#
# 24 LYS HG- 28 GLU HG+ 6.00 (# 1340:20 Unique 2.85, 4.65 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 379, 380,
igr2= 456, 457,
&end
#
# 0 AMB 20-2:1341 0 AMB 20-1:1341 6.00 (# 1341:20 Double Ambig)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 379, 380, 434, 435,
igr2= 456, 457, 456, 457,
&end
#
# 31 ALA MB 28 GLU HG+ 6.00 (# 1342:20 Unique 4.41, 5.91 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 514, 515, 516,
igr2= 456, 457,
&end
#
# 31 ALA MB 28 GLU HG- 6.00 (# 1343:20 Unique 4.41, 5.91 A)
&rst
ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 514, 515, 516,
igr2= 456, 457,
&end
#
# 25 THR MG2 28 GLU HG+ 6.00 (# 1344:20 Unique 4.80, 6.43 A)
&rst
ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 400, 401, 402,
igr2= 456, 457,
&end
#
# 25 THR MG2 28 GLU HG- 6.00 (# 1345:20 Unique 4.80, 6.43 A)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 400, 401, 402,
igr2= 456, 457,
&end
#
# 29 TRP HN 29 TRP HA 6.00 (# 1347:20 Unique 2.87, 2.89 A)
&rst
ixpk= 1347, nxpk= 20, iat= 464, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 TRP HE3 29 TRP HA 6.00 (# 1349:20 Unique 2.14, 2.20 A)
&rst
ixpk= 1349, nxpk= 20, iat= 561, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HD1 29 TRP HA 6.00 (# 1350:20 Unique 2.59, 2.66 A)
&rst
ixpk= 1350, nxpk= 20, iat= 472, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 TRP HZ3 29 TRP HA 6.00 (# 1351:20 Unique 2.21, 2.28 A)
&rst
ixpk= 1351, nxpk= 20, iat= 559, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HB+ 29 TRP HA 6.00 (# 1352:20 Unique 2.45, 2.75 A)
&rst
ixpk= 1352, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 468, 469,
&end
#
# 29 TRP HB- 29 TRP HA 6.00 (# 1353:20 Unique 2.45, 2.75 A)
&rst
ixpk= 1353, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 468, 469,
&end
#
# 29 TRP HN 29 TRP HB+ 3.50 (# 1354:20 Unique 2.46, 3.05 A)
&rst
ixpk= 1354, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 468, 469,
&end
#
# 29 TRP HN 29 TRP HB- 6.00 (# 1355:20 Unique 2.46, 3.05 A)
&rst
ixpk= 1355, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 468, 469,
&end
#
# 30 LYS HN 29 TRP HB+ 6.00 (# 1356:20 Unique 2.52, 3.11 A)
&rst
ixpk= 1356, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 468, 469,
&end
#
# 30 LYS HN 29 TRP HB- 6.00 (# 1357:20 Unique 2.52, 3.11 A)
&rst
ixpk= 1357, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 468, 469,
&end
#
# 41 TRP HE3 29 TRP HB- 6.00 (# 1358:20 Unique 3.62, 4.45 A)
&rst
ixpk= 1358, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 468, 469,
&end
#
# 41 TRP HE3 29 TRP HB+ 6.00 (# 1359:20 Unique 3.62, 4.45 A)
&rst
ixpk= 1359, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 468, 469,
&end
#
# 29 TRP HA 29 TRP HB+ 6.00 (# 1360:20 Unique 2.45, 2.75 A)
&rst
ixpk= 1360, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 468, 469,
&end
#
# 29 TRP HA 29 TRP HB- 6.00 (# 1361:20 Unique 2.45, 2.75 A)
&rst
ixpk= 1361, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 468, 469,
&end
#
# 26 LEU MDY 29 TRP HB+ 6.00 (# 1362:20 Unique 2.82, 5.84 A)
&rst
ixpk= 1362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 468, 469,
&end
#
# 26 LEU MDY 29 TRP HB- 6.00 (# 1363:20 Unique 2.82, 5.84 A)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 468, 469,
&end
#
# 38 VAL MGX 29 TRP HB+ 3.50 (# 1364:20 Unique 2.21, 4.07 A)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 468, 469,
&end
#
# 38 VAL MGX 29 TRP HB- 3.50 (# 1365:20 Unique 2.21, 4.07 A)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 468, 469,
&end
#
# 38 VAL MGY 29 TRP HB+ 3.50 (# 1366:20 Unique 2.21, 4.07 A)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 468, 469,
&end
#
# 38 VAL MGY 29 TRP HB- 3.50 (# 1367:20 Unique 2.21, 4.07 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 468, 469,
&end
#
# 30 LYS HN 30 LYS HA 3.50 (# 1368:20 Unique 2.86, 2.87 A)
&rst
ixpk= 1368, nxpk= 20, iat= 488, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 TRP HN 30 LYS HA 6.00 (# 1369:20 Unique 3.91, 3.98 A)
&rst
ixpk= 1369, nxpk= 20, iat= 542, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ALA HN 30 LYS HA 6.00 (# 1370:20 Unique 3.52, 3.54 A)
&rst
ixpk= 1370, nxpk= 20, iat= 510, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY HN 30 LYS HA 3.50 (# 1371:20 Unique 2.73, 2.79 A)
&rst
ixpk= 1371, nxpk= 20, iat= 566, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 VAL HN 30 LYS HA 6.00 (# 1372:20 Unique 4.24, 4.32 A)
&rst
ixpk= 1372, nxpk= 20, iat= 612, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 PRO HA 30 LYS HA 3.50 (# 1373:20 Unique 3.19, 3.44 A)
&rst
ixpk= 1373, nxpk= 20, iat= 583, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LYS HE+ 30 LYS HA 6.00 (# 1374:20 Unique 4.38, 4.64 A)
&rst
ixpk= 1374, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 30 LYS HE- 30 LYS HA 6.00 (# 1375:20 Unique 4.38, 4.64 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 0 AMB 20-2:1376 30 LYS HA 6.00 (# 1376:20 Single Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 580, 581, 594, 595,
&end
#
# 30 LYS HG+ 30 LYS HA 2.60 (# 1377:20 Unique 2.39, 2.71 A)
&rst
ixpk= 1377, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 495, 496,
&end
#
# 30 LYS HB+ 30 LYS HA 2.60 (# 1378:20 Unique 2.50, 2.79 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 492, 493,
&end
#
# 30 LYS HB- 30 LYS HA 2.60 (# 1379:20 Unique 2.50, 2.79 A)
&rst
ixpk= 1379, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 492, 493,
&end
#
# 30 LYS HD- 30 LYS HA 6.00 (# 1380:20 Unique 4.29, 4.67 A)
&rst
ixpk= 1380, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 498, 499,
&end
#
# 31 ALA MB 30 LYS HA 6.00 (# 1381:20 Unique 5.75, 6.08 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 514, 515, 516,
&end
#
# 30 LYS HG- 30 LYS HA 3.50 (# 1382:20 Unique 2.39, 2.71 A)
&rst
ixpk= 1382, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 495, 496,
&end
#
# 38 VAL MGY 30 LYS HA 3.50 (# 1383:20 Unique 2.65, 3.65 A)
&rst
ixpk= 1383, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL MGX 30 LYS HA 2.60 (# 1384:20 Unique 2.65, 3.65 A)
&rst
ixpk= 1384, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HN 30 LYS HB- 3.50 (# 1385:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1385, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 492, 493,
&end
#
# 30 LYS HN 30 LYS HB+ 3.50 (# 1386:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1386, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 492, 493,
&end
#
# 31 ALA HN 30 LYS HB+ 6.00 (# 1387:20 Unique 2.71, 3.40 A)
&rst
ixpk= 1387, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 492, 493,
&end
#
# 31 ALA HN 30 LYS HB- 6.00 (# 1388:20 Unique 2.71, 3.40 A)
&rst
ixpk= 1388, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 492, 493,
&end
#
# 0 AMB 20-2:1389 30 LYS HB- 3.50 (# 1389:20 Single Ambig)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 490, 468, 469,
igr2= 492, 493,
&end
#
# 30 LYS HA 30 LYS HB+ 3.50 (# 1390:20 Unique 2.50, 2.79 A)
&rst
ixpk= 1390, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 492, 493,
&end
#
# 30 LYS HE- 30 LYS HB- 6.00 (# 1391:20 Unique 2.22, 3.50 A)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 492, 493,
&end
#
# 30 LYS HG- 30 LYS HB- 3.50 (# 1392:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 495, 496,
igr2= 492, 493,
&end
#
# 30 LYS HG- 30 LYS HB+ 6.00 (# 1393:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496,
igr2= 492, 493,
&end
#
# 38 VAL MGX 30 LYS HB+ 6.00 (# 1394:20 Unique 2.38, 4.76 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 492, 493,
&end
#
# 38 VAL MGX 30 LYS HB- 6.00 (# 1395:20 Unique 2.38, 4.76 A)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 492, 493,
&end
#
# 30 LYS HN 30 LYS HG- 6.00 (# 1396:20 Unique 2.53, 4.13 A)
&rst
ixpk= 1396, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 495, 496,
&end
#
# 30 LYS HN 30 LYS HG+ 6.00 (# 1397:20 Unique 2.53, 4.13 A)
&rst
ixpk= 1397, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 495, 496,
&end
#
# 31 ALA HN 30 LYS HG+ 6.00 (# 1398:20 Unique 4.15, 4.62 A)
&rst
ixpk= 1398, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 495, 496,
&end
#
# 35 PRO HA 30 LYS HG- 6.00 (# 1399:20 Unique 2.02, 2.83 A)
&rst
ixpk= 1399, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 495, 496,
&end
#
# 35 PRO HA 30 LYS HG+ 2.60 (# 1400:20 Unique 2.02, 2.83 A)
&rst
ixpk= 1400, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 495, 496,
&end
#
# 30 LYS HA 30 LYS HG+ 6.00 (# 1401:20 Unique 2.39, 2.71 A)
&rst
ixpk= 1401, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 495, 496,
&end
#
# 30 LYS HA 30 LYS HG- 6.00 (# 1402:20 Unique 2.39, 2.71 A)
&rst
ixpk= 1402, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 495, 496,
&end
#
# 30 LYS HE+ 30 LYS HG+ 6.00 (# 1403:20 Unique 2.42, 3.17 A)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 495, 496,
&end
#
# 30 LYS HE- 30 LYS HG+ 6.00 (# 1404:20 Unique 2.42, 3.17 A)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 495, 496,
&end
#
# 30 LYS HE- 30 LYS HG- 6.00 (# 1405:20 Unique 2.42, 3.17 A)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 495, 496,
&end
#
# 30 LYS HE+ 30 LYS HG- 6.00 (# 1406:20 Unique 2.42, 3.17 A)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 495, 496,
&end
#
# 35 PRO HB+ 30 LYS HG- 6.00 (# 1407:20 Unique 2.23, 3.70 A)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 580, 581,
igr2= 495, 496,
&end
#
# 30 LYS HB+ 30 LYS HG- 3.50 (# 1409:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 492, 493,
igr2= 495, 496,
&end
#
# 30 LYS HD- 30 LYS HG- 3.50 (# 1410:20 Unique 2.33, 2.64 A)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499,
igr2= 495, 496,
&end
#
# 0 AMB 20-2:1411 30 LYS HG- 3.50 (# 1411:20 Single Ambig)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 498, 499, 492, 493,
igr2= 495, 496,
&end
#
# 30 LYS HD- 30 LYS HG+ 2.60 (# 1412:20 Unique 2.33, 2.64 A)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 498, 499,
igr2= 495, 496,
&end
#
# 38 VAL MGY 30 LYS HG+ 6.00 (# 1414:20 Unique 2.39, 4.61 A)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 495, 496,
&end
#
# 38 VAL MGY 30 LYS HG- 3.50 (# 1415:20 Unique 2.39, 4.61 A)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 495, 496,
&end
#
# 38 VAL MGX 30 LYS HG+ 6.00 (# 1417:20 Unique 2.39, 4.61 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 495, 496,
&end
#
# 30 LYS HA 30 LYS HD+ 6.00 (# 1419:20 Unique 4.29, 4.67 A)
&rst
ixpk= 1419, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 498, 499,
&end
#
# 30 LYS HA 30 LYS HD- 6.00 (# 1420:20 Unique 4.29, 4.67 A)
&rst
ixpk= 1420, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 498, 499,
&end
#
# 30 LYS HE- 30 LYS HD+ 3.50 (# 1421:20 Unique 2.44, 2.78 A)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 501, 502,
igr2= 498, 499,
&end
#
# 26 LEU MDY 30 LYS HD+ 6.00 (# 1422:20 Unique 4.15, 6.94 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 498, 499,
&end
#
# 27 LYS HG- 27 LYS HD+ 2.20 (# 1424:20 Unique 2.48, 2.79 A)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 434, 435,
igr2= 437, 438,
&end
#
# 0 AMB 20-2:1425 0 AMB 20-1:1425 3.50 (# 1425:20 Double Ambig)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 580, 581,
igr2= 498, 499,
&end
#
# 35 PRO HB+ 30 LYS HD- 3.50 (# 1426:20 Unique 2.24, 3.92 A)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 580, 581,
igr2= 498, 499,
&end
#
# 30 LYS HN 30 LYS HE+ 6.00 (# 1427:20 Unique 4.48, 5.06 A)
&rst
ixpk= 1427, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 501, 502,
&end
#
# 30 LYS HN 30 LYS HE- 6.00 (# 1428:20 Unique 4.48, 5.06 A)
&rst
ixpk= 1428, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 501, 502,
&end
#
# 35 PRO HA 30 LYS HE+ 3.50 (# 1429:20 Unique 2.46, 3.37 A)
&rst
ixpk= 1429, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 501, 502,
&end
#
# 35 PRO HA 30 LYS HE- 6.00 (# 1430:20 Unique 2.46, 3.37 A)
&rst
ixpk= 1430, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 501, 502,
&end
#
# 0 AMB 20-2:1431 30 LYS HE- 6.00 (# 1431:20 Single Ambig)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 468, 469,
igr2= 501, 502,
&end
#
# 27 LYS HA 30 LYS HE- 6.00 (# 1432:20 Unique 3.99, 4.90 A)
&rst
ixpk= 1432, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 501, 502,
&end
#
# 30 LYS HB+ 30 LYS HE- 3.50 (# 1433:20 Unique 2.22, 3.50 A)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 492, 493,
igr2= 501, 502,
&end
#
# 30 LYS HG+ 30 LYS HE- 3.50 (# 1434:20 Unique 2.42, 3.17 A)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 495, 496,
igr2= 501, 502,
&end
#
# 30 LYS HD+ 30 LYS HE- 2.60 (# 1435:20 Unique 2.44, 2.78 A)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 498, 499,
igr2= 501, 502,
&end
#
# 30 LYS HD- 30 LYS HE- 2.60 (# 1436:20 Unique 2.44, 2.78 A)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 498, 499,
igr2= 501, 502,
&end
#
# 26 LEU HG 30 LYS HE- 3.50 (# 1437:20 Unique 2.62, 4.20 A)
&rst
ixpk= 1437, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 501, 502,
&end
#
# 30 LYS HG- 30 LYS HE- 3.50 (# 1438:20 Unique 2.42, 3.17 A)
&rst
ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 495, 496,
igr2= 501, 502,
&end
#
# 38 VAL MGY 30 LYS HE- 3.50 (# 1439:20 Unique 2.77, 4.62 A)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 501, 502,
&end
#
# 38 VAL MGX 30 LYS HE- 6.00 (# 1440:20 Unique 2.77, 4.62 A)
&rst
ixpk= 1440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 501, 502,
&end
#
# 26 LEU MDX 30 LYS HE- 3.50 (# 1441:20 Unique 2.42, 4.97 A)
&rst
ixpk= 1441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 501, 502,
&end
#
# 38 VAL MGX 30 LYS HE+ 6.00 (# 1442:20 Unique 2.77, 4.62 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 501, 502,
&end
#
# 26 LEU MDX 30 LYS HE+ 6.00 (# 1443:20 Unique 2.42, 4.97 A)
&rst
ixpk= 1443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 501, 502,
&end
#
# 26 LEU MDY 30 LYS HE+ 6.00 (# 1444:20 Unique 2.42, 4.97 A)
&rst
ixpk= 1444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 501, 502,
&end
#
# 26 LEU MDY 30 LYS HE- 3.50 (# 1445:20 Unique 2.42, 4.97 A)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 501, 502,
&end
#
# 30 LYS HG- 30 LYS HE+ 3.50 (# 1446:20 Unique 2.42, 3.17 A)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 495, 496,
igr2= 501, 502,
&end
#
# 26 LEU HG 30 LYS HE+ 6.00 (# 1447:20 Unique 2.62, 4.20 A)
&rst
ixpk= 1447, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 501, 502,
&end
#
# 38 VAL MGY 30 LYS HE+ 2.60 (# 1448:20 Unique 2.77, 4.62 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 501, 502,
&end
#
# 39 GLU HN 30 LYS HE+ 6.00 (# 1449:20 Unique 5.17, 5.80 A)
&rst
ixpk= 1449, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 501, 502,
&end
#
# 39 GLU HN 30 LYS HE- 6.00 (# 1450:20 Unique 5.17, 5.80 A)
&rst
ixpk= 1450, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 501, 502,
&end
#
# 30 LYS HN 31 ALA HA 6.00 (# 1451:20 Unique 5.33, 5.36 A)
&rst
ixpk= 1451, nxpk= 20, iat= 488, 512, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 TRP HN 31 ALA HA 6.00 (# 1452:20 Unique 4.61, 4.70 A)
&rst
ixpk= 1452, nxpk= 20, iat= 542, 512, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ALA HN 31 ALA HA 3.50 (# 1453:20 Unique 2.87, 2.89 A)
&rst
ixpk= 1453, nxpk= 20, iat= 510, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1454 31 ALA HA 3.50 (# 1454:20 Single Ambig)
&rst
ixpk= 1454, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 520, 566,
&end
#
# 30 LYS HB+ 31 ALA HA 6.00 (# 1457:20 Unique 4.25, 5.04 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 492, 493,
&end
#
# 30 LYS HD- 31 ALA HA 6.00 (# 1458:20 Unique 5.96, 6.37 A)
&rst
ixpk= 1458, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 498, 499,
&end
#
# 0 AMB 20-2:1459 31 ALA HA 6.00 (# 1459:20 Single Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 492, 493,
&end
#
# 31 ALA MB 31 ALA HA 2.20 (# 1460:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 514, 515, 516,
&end
#
# 0 AMB 20-2:1462 31 ALA HA 6.00 (# 1462:20 Single Ambig)
&rst
ixpk= 1462, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 498, 499,
&end
#
# 0 AMB 20-2:1463 31 ALA HA 6.00 (# 1463:20 Single Ambig)
&rst
ixpk= 1463, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496, 524, 525,
&end
#
# 0 AMB 20-2:1464 31 ALA HA 6.00 (# 1464:20 Single Ambig)
&rst
ixpk= 1464, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496, 431, 432,
&end
#
# 29 TRP HN 31 ALA MB 6.00 (# 1466:20 Unique 5.00, 5.88 A)
&rst
ixpk= 1466, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 514, 515, 516,
&end
#
# 30 LYS HN 31 ALA MB 6.00 (# 1467:20 Unique 4.81, 5.38 A)
&rst
ixpk= 1467, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 514, 515, 516,
&end
#
# 33 TRP HN 31 ALA MB 6.00 (# 1468:20 Unique 4.90, 5.53 A)
&rst
ixpk= 1468, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 514, 515, 516,
&end
#
# 33 TRP HE3 31 ALA MB 6.00 (# 1471:20 Unique 6.28, 7.19 A)
&rst
ixpk= 1471, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 514, 515, 516,
&end
#
# 31 ALA HN 31 ALA MB 2.20 (# 1472:20 Unique 2.39, 2.86 A)
&rst
ixpk= 1472, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 514, 515, 516,
&end
#
# 32 LYS HN 31 ALA MB 2.60 (# 1474:20 Unique 2.14, 3.04 A)
&rst
ixpk= 1474, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 514, 515, 516,
&end
#
# 28 GLU HN 31 ALA MB 6.00 (# 1475:20 Unique 5.05, 5.70 A)
&rst
ixpk= 1475, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 514, 515, 516,
&end
#
# 29 TRP HA 31 ALA MB 6.00 (# 1477:20 Unique 4.91, 5.93 A)
&rst
ixpk= 1477, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1478 31 ALA MB 6.00 (# 1478:20 Single Ambig)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 490, 468, 469,
igr2= 514, 515, 516,
&end
#
# 32 LYS HA 31 ALA MB 3.50 (# 1480:20 Unique 3.87, 4.53 A)
&rst
ixpk= 1480, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1481 31 ALA MB 2.20 (# 1481:20 Single Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 512, 451,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1483 31 ALA MB 6.00 (# 1483:20 Single Ambig)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 456, 457, 533, 534,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1484 31 ALA MB 6.00 (# 1484:20 Single Ambig)
&rst
ixpk= 1484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 453, 454, 533, 534,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1485 31 ALA MB 3.50 (# 1485:20 Single Ambig)
&rst
ixpk= 1485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 453, 454, 456, 457,
igr2= 514, 515, 516,
&end
#
# 32 LYS HG+ 31 ALA MB 6.00 (# 1486:20 Unique 2.83, 4.71 A)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 527, 528,
igr2= 514, 515, 516,
&end
#
# 32 LYS HG- 31 ALA MB 6.00 (# 1488:20 Unique 2.83, 4.71 A)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 527, 528,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1489 31 ALA MB 6.00 (# 1489:20 Single Ambig)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 524, 525, 495, 496,
igr2= 514, 515, 516,
&end
#
# 32 LYS HD- 31 ALA MB 6.00 (# 1491:20 Unique 4.82, 6.10 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 530, 531,
igr2= 514, 515, 516,
&end
#
# 33 TRP HN 32 LYS HA 3.50 (# 1496:20 Unique 3.51, 3.53 A)
&rst
ixpk= 1496, nxpk= 20, iat= 542, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ALA HN 32 LYS HA 6.00 (# 1497:20 Unique 5.09, 5.13 A)
&rst
ixpk= 1497, nxpk= 20, iat= 510, 522, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 LYS HN 32 LYS HA 2.60 (# 1498:20 Unique 2.69, 2.70 A)
&rst
ixpk= 1498, nxpk= 20, iat= 520, 522, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:1499 32 LYS HA 6.00 (# 1499:20 Single Ambig)
&rst
ixpk= 1499, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534, 453, 454,
&end
#
# 31 ALA MB 32 LYS HA 3.50 (# 1500:20 Unique 3.87, 4.53 A)
&rst
ixpk= 1500, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 514, 515, 516,
&end
#
# 32 LYS HB+ 32 LYS HA 2.60 (# 1501:20 Unique 2.63, 2.83 A)
&rst
ixpk= 1501, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 524, 525,
&end
#
# 32 LYS HB- 32 LYS HA 2.60 (# 1502:20 Unique 2.63, 2.83 A)
&rst
ixpk= 1502, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 524, 525,
&end
#
# 32 LYS HD+ 32 LYS HA 6.00 (# 1503:20 Unique 4.17, 4.61 A)
&rst
ixpk= 1503, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 530, 531,
&end
#
# 32 LYS HD- 32 LYS HA 6.00 (# 1505:20 Unique 4.17, 4.61 A)
&rst
ixpk= 1505, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 530, 531,
&end
#
# 32 LYS HG+ 32 LYS HA 2.60 (# 1506:20 Unique 2.23, 2.60 A)
&rst
ixpk= 1506, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 527, 528,
&end
#
# 32 LYS HG- 32 LYS HA 3.50 (# 1507:20 Unique 2.23, 2.60 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 527, 528,
&end
#
# 33 TRP HN 32 LYS HB+ 6.00 (# 1509:20 Unique 2.87, 3.25 A)
&rst
ixpk= 1509, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 33 TRP HN 32 LYS HB- 6.00 (# 1510:20 Unique 2.87, 3.25 A)
&rst
ixpk= 1510, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 32 LYS HN 32 LYS HB+ 2.60 (# 1511:20 Unique 2.27, 2.92 A)
&rst
ixpk= 1511, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 524, 525,
&end
#
# 32 LYS HN 32 LYS HB- 3.50 (# 1512:20 Unique 2.27, 2.92 A)
&rst
ixpk= 1512, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 524, 525,
&end
#
# 29 TRP HA 32 LYS HB+ 6.00 (# 1513:20 Unique 2.31, 3.21 A)
&rst
ixpk= 1513, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 32 LYS HA 32 LYS HB+ 2.60 (# 1514:20 Unique 2.63, 2.83 A)
&rst
ixpk= 1514, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 524, 525,
&end
#
# 32 LYS HA 32 LYS HB- 3.50 (# 1515:20 Unique 2.63, 2.83 A)
&rst
ixpk= 1515, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 524, 525,
&end
#
# 32 LYS HG+ 32 LYS HB- 3.50 (# 1516:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 527, 528,
igr2= 524, 525,
&end
#
# 32 LYS HG+ 32 LYS HB+ 3.50 (# 1517:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 527, 528,
igr2= 524, 525,
&end
#
# 32 LYS HD+ 32 LYS HB- 6.00 (# 1519:20 Unique 2.42, 3.28 A)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 530, 531,
igr2= 524, 525,
&end
#
# 32 LYS HG- 32 LYS HB+ 3.50 (# 1520:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 527, 528,
igr2= 524, 525,
&end
#
# 32 LYS HG- 32 LYS HB- 6.00 (# 1521:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 527, 528,
igr2= 524, 525,
&end
#
# 33 TRP HN 32 LYS HG+ 6.00 (# 1522:20 Unique 4.74, 4.98 A)
&rst
ixpk= 1522, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 527, 528,
&end
#
# 32 LYS HN 32 LYS HG+ 3.50 (# 1523:20 Unique 2.40, 3.06 A)
&rst
ixpk= 1523, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 527, 528,
&end
#
# 32 LYS HN 32 LYS HG- 6.00 (# 1524:20 Unique 2.40, 3.06 A)
&rst
ixpk= 1524, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 527, 528,
&end
#
# 32 LYS HA 32 LYS HG+ 2.60 (# 1527:20 Unique 2.23, 2.60 A)
&rst
ixpk= 1527, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 527, 528,
&end
#
# 32 LYS HA 32 LYS HG- 3.50 (# 1528:20 Unique 2.23, 2.60 A)
&rst
ixpk= 1528, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 527, 528,
&end
#
# 32 LYS HE+ 32 LYS HG+ 3.50 (# 1529:20 Unique 2.56, 3.63 A)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 533, 534,
igr2= 527, 528,
&end
#
# 0 AMB 20-2:1530 0 AMB 20-1:1530 3.50 (# 1530:20 Double Ambig)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 533, 534, 453, 454,
igr2= 527, 528, 527, 528,
&end
#
# 0 AMB 20-2:1531 32 LYS HG- 3.50 (# 1531:20 Single Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 533, 534, 453, 454,
igr2= 527, 528,
&end
#
# 32 LYS HE+ 32 LYS HG- 3.50 (# 1532:20 Unique 2.56, 3.63 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 533, 534,
igr2= 527, 528,
&end
#
# 31 ALA MB 32 LYS HG+ 3.50 (# 1533:20 Unique 2.83, 4.71 A)
&rst
ixpk= 1533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 514, 515, 516,
igr2= 527, 528,
&end
#
# 31 ALA MB 32 LYS HG- 6.00 (# 1534:20 Unique 2.83, 4.71 A)
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 514, 515, 516,
igr2= 527, 528,
&end
#
# 32 LYS HB+ 32 LYS HG- 3.50 (# 1535:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 524, 525,
igr2= 527, 528,
&end
#
# 32 LYS HD+ 32 LYS HG- 2.60 (# 1536:20 Unique 2.37, 2.62 A)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 530, 531,
igr2= 527, 528,
&end
#
# 32 LYS HB- 32 LYS HG- 2.60 (# 1537:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 524, 525,
igr2= 527, 528,
&end
#
# 32 LYS HD+ 32 LYS HG+ 2.60 (# 1538:20 Unique 2.37, 2.62 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 530, 531,
igr2= 527, 528,
&end
#
# 32 LYS HB- 32 LYS HG+ 2.60 (# 1539:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 524, 525,
igr2= 527, 528,
&end
#
# 32 LYS HD- 32 LYS HG+ 2.20 (# 1542:20 Unique 2.37, 2.62 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 530, 531,
igr2= 527, 528,
&end
#
# 32 LYS HB+ 32 LYS HG+ 2.60 (# 1543:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 524, 525,
igr2= 527, 528,
&end
#
# 32 LYS HN 32 LYS HD+ 6.00 (# 1544:20 Unique 3.82, 4.28 A)
&rst
ixpk= 1544, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 530, 531,
&end
#
# 32 LYS HA 32 LYS HD+ 6.00 (# 1545:20 Unique 4.17, 4.61 A)
&rst
ixpk= 1545, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 530, 531,
&end
#
# 32 LYS HE+ 32 LYS HD+ 3.50 (# 1546:20 Unique 2.31, 2.66 A)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 533, 534,
igr2= 530, 531,
&end
#
# 0 AMB 20-2:1547 0 AMB 20-1:1547 3.50 (# 1547:20 Double Ambig)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 533, 534, 453, 454,
igr2= 530, 531, 530, 531,
&end
#
# 32 LYS HB+ 32 LYS HD+ 3.50 (# 1548:20 Unique 2.42, 3.28 A)
&rst
ixpk= 1548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 524, 525,
igr2= 530, 531,
&end
#
# 31 ALA MB 32 LYS HD- 6.00 (# 1549:20 Unique 4.82, 6.10 A)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 514, 515, 516,
igr2= 530, 531,
&end
#
# 32 LYS HG+ 32 LYS HD+ 2.60 (# 1550:20 Unique 2.37, 2.62 A)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 527, 528,
igr2= 530, 531,
&end
#
# 32 LYS HG- 32 LYS HD+ 3.50 (# 1551:20 Unique 2.37, 2.62 A)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 527, 528,
igr2= 530, 531,
&end
#
# 32 LYS HG+ 32 LYS HD- 6.00 (# 1552:20 Unique 2.37, 2.62 A)
&rst
ixpk= 1552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 527, 528,
igr2= 530, 531,
&end
#
# 32 LYS HN 32 LYS HE+ 6.00 (# 1553:20 Unique 3.80, 5.39 A)
&rst
ixpk= 1553, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 32 LYS HN 32 LYS HE- 6.00 (# 1554:20 Unique 3.80, 5.39 A)
&rst
ixpk= 1554, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 33 TRP HZ2 32 LYS HE+ 6.00 (# 1555:20 Unique 3.19, 3.75 A)
&rst
ixpk= 1555, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 33 TRP HZ2 32 LYS HE- 6.00 (# 1556:20 Unique 3.19, 3.75 A)
&rst
ixpk= 1556, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 33 TRP HH2 32 LYS HE- 6.00 (# 1557:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1557, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 33 TRP HZ3 32 LYS HE+ 6.00 (# 1558:20 Unique 2.48, 3.50 A)
&rst
ixpk= 1558, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 33 TRP HH2 32 LYS HE+ 6.00 (# 1559:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1559, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 32 LYS HA 32 LYS HE+ 6.00 (# 1562:20 Unique 4.36, 5.10 A)
&rst
ixpk= 1562, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 32 LYS HA 32 LYS HE- 6.00 (# 1563:20 Unique 4.36, 5.10 A)
&rst
ixpk= 1563, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 32 LYS HB+ 32 LYS HE- 6.00 (# 1564:20 Unique 2.14, 3.24 A)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 524, 525,
igr2= 533, 534,
&end
#
# 32 LYS HB+ 32 LYS HE+ 6.00 (# 1565:20 Unique 2.14, 3.24 A)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 524, 525,
igr2= 533, 534,
&end
#
# 12 THR MG2 32 LYS HE+ 3.50 (# 1566:20 Unique 3.92, 5.00 A)
&rst
ixpk= 1566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 210, 211, 212,
igr2= 533, 534,
&end
#
# 32 LYS HD+ 32 LYS HE+ 2.60 (# 1568:20 Unique 2.31, 2.66 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 530, 531,
igr2= 533, 534,
&end
#
# 32 LYS HD+ 32 LYS HE- 2.60 (# 1569:20 Unique 2.31, 2.66 A)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 530, 531,
igr2= 533, 534,
&end
#
# 32 LYS HD- 32 LYS HE+ 3.50 (# 1570:20 Unique 2.31, 2.66 A)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 530, 531,
igr2= 533, 534,
&end
#
# 32 LYS HB- 32 LYS HE- 3.50 (# 1572:20 Unique 2.14, 3.24 A)
&rst
ixpk= 1572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 524, 525,
igr2= 533, 534,
&end
#
# 32 LYS HD- 32 LYS HE- 3.50 (# 1573:20 Unique 2.31, 2.66 A)
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 530, 531,
igr2= 533, 534,
&end
#
# 32 LYS HG+ 32 LYS HE+ 3.50 (# 1574:20 Unique 2.56, 3.63 A)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 527, 528,
igr2= 533, 534,
&end
#
# 32 LYS HG+ 32 LYS HE- 2.60 (# 1575:20 Unique 2.56, 3.63 A)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 527, 528,
igr2= 533, 534,
&end
#
# 32 LYS HG- 32 LYS HE+ 3.50 (# 1576:20 Unique 2.56, 3.63 A)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 527, 528,
igr2= 533, 534,
&end
#
# 32 LYS HG- 32 LYS HE- 3.50 (# 1577:20 Unique 2.56, 3.63 A)
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 527, 528,
igr2= 533, 534,
&end
#
# 33 TRP HN 33 TRP HB+ 3.50 (# 1581:20 Unique 2.65, 3.25 A)
&rst
ixpk= 1581, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 546, 547,
&end
#
# 33 TRP HN 33 TRP HB- 3.50 (# 1582:20 Unique 2.65, 3.25 A)
&rst
ixpk= 1582, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 546, 547,
&end
#
# 33 TRP HE3 33 TRP HB+ 6.00 (# 1583:20 Unique 2.55, 3.33 A)
&rst
ixpk= 1583, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 34 GLY HN 33 TRP HB+ 6.00 (# 1585:20 Unique 2.34, 2.98 A)
&rst
ixpk= 1585, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 33 TRP HD1 33 TRP HB+ 6.00 (# 1586:20 Unique 2.69, 3.27 A)
&rst
ixpk= 1586, nxpk= 20, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 33 TRP HD1 33 TRP HB- 6.00 (# 1587:20 Unique 2.69, 3.27 A)
&rst
ixpk= 1587, nxpk= 20, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 34 GLY HN 33 TRP HB- 6.00 (# 1588:20 Unique 2.34, 2.98 A)
&rst
ixpk= 1588, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 41 TRP HZ2 33 TRP HB- 6.00 (# 1590:20 Unique 3.50, 3.92 A)
&rst
ixpk= 1590, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 41 TRP HH2 33 TRP HB+ 6.00 (# 1591:20 Unique 2.36, 2.82 A)
&rst
ixpk= 1591, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 47 HIS HA 47 HIS HB- 2.20 (# 1593:20 Unique 2.38, 2.64 A)
&rst
ixpk= 1593, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 751, 752,
&end
#
# 0 AMB 20-2:1594 0 AMB 20-1:1594 6.00 (# 1594:20 Double Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 742, 743, 742, 743, 604,
igr2= 751, 752, 546, 547,
&end
#
# 37 ALA MB 33 TRP HB+ 3.50 (# 1595:20 Unique 3.13, 3.60 A)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 606, 607, 608,
igr2= 546, 547,
&end
#
# 37 ALA MB 33 TRP HB- 6.00 (# 1596:20 Unique 3.13, 3.60 A)
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 606, 607, 608,
igr2= 546, 547,
&end
#
# 38 VAL MGX 33 TRP HB+ 3.50 (# 1597:20 Unique 3.58, 6.21 A)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 546, 547,
&end
#
# 38 VAL MGX 33 TRP HB- 3.50 (# 1598:20 Unique 3.58, 6.21 A)
&rst
ixpk= 1598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 546, 547,
&end
#
# 33 TRP HN 34 GLY HA- 6.00 (# 1600:20 Unique 4.17, 4.54 A)
&rst
ixpk= 1600, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 568, 569,
&end
#
# 36 GLU HN 34 GLY HA- 6.00 (# 1601:20 Unique 3.44, 3.94 A)
&rst
ixpk= 1601, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 568, 569,
&end
#
# 37 ALA HN 34 GLY HA- 6.00 (# 1602:20 Unique 3.44, 4.13 A)
&rst
ixpk= 1602, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 568, 569,
&end
#
# 34 GLY HN 34 GLY HA- 2.60 (# 1603:20 Unique 2.62, 2.82 A)
&rst
ixpk= 1603, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 568, 569,
&end
#
# 34 GLY HN 34 GLY HA+ 3.50 (# 1604:20 Unique 2.62, 2.82 A)
&rst
ixpk= 1604, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 568, 569,
&end
#
# 35 PRO HD+ 34 GLY HA+ 6.00 (# 1606:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 574, 575,
igr2= 568, 569,
&end
#
# 35 PRO HD- 34 GLY HA+ 6.00 (# 1607:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 574, 575,
igr2= 568, 569,
&end
#
# 35 PRO HD- 34 GLY HA- 2.60 (# 1608:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 574, 575,
igr2= 568, 569,
&end
#
# 35 PRO HD+ 34 GLY HA- 2.60 (# 1609:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 574, 575,
igr2= 568, 569,
&end
#
# 0 AMB 20-2:1610 34 GLY HA- 6.00 (# 1610:20 Single Ambig)
&rst
ixpk= 1610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 594, 595, 594, 595, 580, 581,
igr2= 568, 569,
&end
#
# 35 PRO HG+ 34 GLY HA- 6.00 (# 1611:20 Unique 4.51, 4.77 A)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 577, 578,
igr2= 568, 569,
&end
#
# 0 AMB 20-2:1612 34 GLY HA- 3.50 (# 1612:20 Single Ambig)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 591, 592, 577, 578,
igr2= 568, 569,
&end
#
# 0 AMB 20-2:1613 0 AMB 20-1:1613 6.00 (# 1613:20 Double Ambig)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 591, 592, 577, 578,
igr2= 568, 569, 568, 569,
&end
#
# 30 LYS HN 35 PRO HA 6.00 (# 1614:20 Unique 5.09, 5.57 A)
&rst
ixpk= 1614, nxpk= 20, iat= 488, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 GLU HN 35 PRO HA 6.00 (# 1615:20 Unique 3.49, 3.51 A)
&rst
ixpk= 1615, nxpk= 20, iat= 587, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ALA HN 35 PRO HA 6.00 (# 1616:20 Unique 3.94, 4.14 A)
&rst
ixpk= 1616, nxpk= 20, iat= 602, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 GLU HN 35 PRO HA 6.00 (# 1617:20 Unique 3.73, 3.91 A)
&rst
ixpk= 1617, nxpk= 20, iat= 628, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1618 35 PRO HA 6.00 (# 1618:20 Single Ambig)
&rst
ixpk= 1618, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 566, 643,
&end
#
# 38 VAL HN 35 PRO HA 6.00 (# 1619:20 Unique 3.20, 3.66 A)
&rst
ixpk= 1619, nxpk= 20, iat= 612, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY HA- 35 PRO HA 6.00 (# 1620:20 Unique 4.38, 4.63 A)
&rst
ixpk= 1620, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 568, 569,
&end
#
# 30 LYS HA 35 PRO HA 3.50 (# 1621:20 Unique 3.19, 3.44 A)
&rst
ixpk= 1621, nxpk= 20, iat= 490, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LYS HE+ 35 PRO HA 6.00 (# 1622:20 Unique 2.46, 3.37 A)
&rst
ixpk= 1622, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 30 LYS HE- 35 PRO HA 6.00 (# 1623:20 Unique 2.46, 3.37 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 35 PRO HB+ 35 PRO HA 2.60 (# 1624:20 Unique 2.26, 2.52 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 580, 581,
&end
#
# 35 PRO HG+ 35 PRO HA 3.50 (# 1625:20 Unique 3.87, 3.94 A)
&rst
ixpk= 1625, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 577, 578,
&end
#
# 35 PRO HB- 35 PRO HA 2.60 (# 1626:20 Unique 2.26, 2.52 A)
&rst
ixpk= 1626, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 580, 581,
&end
#
# 30 LYS HG+ 35 PRO HA 3.50 (# 1627:20 Unique 2.02, 2.83 A)
&rst
ixpk= 1627, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 495, 496,
&end
#
# 38 VAL HB 35 PRO HA 6.00 (# 1628:20 Unique 4.57, 4.88 A)
&rst
ixpk= 1628, nxpk= 20, iat= 616, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HG- 35 PRO HA 3.50 (# 1629:20 Unique 2.02, 2.83 A)
&rst
ixpk= 1629, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 495, 496,
&end
#
# 38 VAL MGY 35 PRO HA 6.00 (# 1630:20 Unique 2.08, 3.65 A)
&rst
ixpk= 1630, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL MGX 35 PRO HA 3.50 (# 1631:20 Unique 2.08, 3.65 A)
&rst
ixpk= 1631, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1632 35 PRO HA 3.50 (# 1632:20 Single Ambig)
&rst
ixpk= 1632, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499, 492, 493,
&end
#
# 36 GLU HN 35 PRO HB+ 3.50 (# 1633:20 Unique 3.25, 3.79 A)
&rst
ixpk= 1633, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 580, 581,
&end
#
# 36 GLU HN 35 PRO HB- 3.50 (# 1634:20 Unique 3.25, 3.79 A)
&rst
ixpk= 1634, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 580, 581,
&end
#
# 37 ALA HN 35 PRO HB- 6.00 (# 1635:20 Unique 5.17, 5.57 A)
&rst
ixpk= 1635, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 580, 581,
&end
#
# 35 PRO HD- 35 PRO HB+ 3.50 (# 1636:20 Unique 2.91, 3.71 A)
&rst
ixpk= 1636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 574, 575,
igr2= 580, 581,
&end
#
# 35 PRO HD- 35 PRO HB- 3.50 (# 1637:20 Unique 2.91, 3.71 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 574, 575,
igr2= 580, 581,
&end
#
# 35 PRO HA 35 PRO HB- 2.60 (# 1638:20 Unique 2.26, 2.52 A)
&rst
ixpk= 1638, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 580, 581,
&end
#
# 35 PRO HA 35 PRO HB+ 2.60 (# 1639:20 Unique 2.26, 2.52 A)
&rst
ixpk= 1639, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 580, 581,
&end
#
# 30 LYS HE+ 35 PRO HB+ 6.00 (# 1640:20 Unique 2.39, 3.93 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 580, 581,
&end
#
# 30 LYS HE+ 35 PRO HB- 6.00 (# 1641:20 Unique 2.39, 3.93 A)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 580, 581,
&end
#
# 35 PRO HG+ 35 PRO HB+ 2.20 (# 1642:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 577, 578,
igr2= 580, 581,
&end
#
# 35 PRO HG+ 35 PRO HB- 2.20 (# 1643:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 577, 578,
igr2= 580, 581,
&end
#
# 0 AMB 20-2:1644 0 AMB 20-1:1644 3.50 (# 1644:20 Double Ambig)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 498, 499, 492, 493,
igr2= 580, 581, 580, 581,
&end
#
# 30 LYS HD- 35 PRO HB+ 3.50 (# 1645:20 Unique 2.24, 3.92 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499,
igr2= 580, 581,
&end
#
# 30 LYS HD- 35 PRO HB- 3.50 (# 1646:20 Unique 2.24, 3.92 A)
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499,
igr2= 580, 581,
&end
#
# 30 LYS HG- 35 PRO HB+ 6.00 (# 1647:20 Unique 2.23, 3.70 A)
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496,
igr2= 580, 581,
&end
#
# 30 LYS HG- 35 PRO HB- 6.00 (# 1648:20 Unique 2.23, 3.70 A)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496,
igr2= 580, 581,
&end
#
# 38 VAL MGX 35 PRO HB+ 6.00 (# 1649:20 Unique 3.73, 5.86 A)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 580, 581,
&end
#
# 39 GLU HG+ 35 PRO HB+ 6.00 (# 1650:20 Unique 3.85, 5.13 A)
&rst
ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 635, 636,
igr2= 580, 581,
&end
#
# 39 GLU HG+ 35 PRO HB- 6.00 (# 1651:20 Unique 3.85, 5.13 A)
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 635, 636,
igr2= 580, 581,
&end
#
# 36 GLU HN 35 PRO HG+ 2.60 (# 1652:20 Unique 2.57, 3.37 A)
&rst
ixpk= 1652, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 577, 578,
&end
#
# 36 GLU HN 35 PRO HG- 3.50 (# 1653:20 Unique 2.57, 3.37 A)
&rst
ixpk= 1653, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 577, 578,
&end
#
# 37 ALA HN 35 PRO HG+ 6.00 (# 1654:20 Unique 5.00, 5.68 A)
&rst
ixpk= 1654, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 577, 578,
&end
#
# 34 GLY HN 35 PRO HG- 6.00 (# 1655:20 Unique 6.52, 6.71 A)
&rst
ixpk= 1655, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 577, 578,
&end
#
# 34 GLY HA+ 35 PRO HG+ 6.00 (# 1656:20 Unique 4.51, 4.77 A)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 568, 569,
igr2= 577, 578,
&end
#
# 34 GLY HA- 35 PRO HG+ 6.00 (# 1657:20 Unique 4.51, 4.77 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 568, 569,
igr2= 577, 578,
&end
#
# 34 GLY HA- 35 PRO HG- 6.00 (# 1658:20 Unique 4.51, 4.77 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 568, 569,
igr2= 577, 578,
&end
#
# 34 GLY HA+ 35 PRO HG- 6.00 (# 1659:20 Unique 4.51, 4.77 A)
&rst
ixpk= 1659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 568, 569,
igr2= 577, 578,
&end
#
# 35 PRO HD- 35 PRO HG+ 2.60 (# 1660:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 574, 575,
igr2= 577, 578,
&end
#
# 35 PRO HD+ 35 PRO HG+ 2.60 (# 1661:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 574, 575,
igr2= 577, 578,
&end
#
# 35 PRO HA 35 PRO HG+ 3.50 (# 1662:20 Unique 3.87, 3.94 A)
&rst
ixpk= 1662, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 577, 578,
&end
#
# 35 PRO HD- 35 PRO HG- 2.60 (# 1663:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 574, 575,
igr2= 577, 578,
&end
#
# 35 PRO HD+ 35 PRO HG- 2.60 (# 1664:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 574, 575,
igr2= 577, 578,
&end
#
# 0 AMB 20-2:1665 35 PRO HG- 3.50 (# 1665:20 Single Ambig)
&rst
ixpk= 1665, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 577, 578,
&end
#
# 0 AMB 20-2:1666 0 AMB 20-1:1666 2.60 (# 1666:20 Double Ambig)
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 580, 581, 594, 595, 594, 595,
igr2= 577, 578, 577, 578, 577, 578,
&end
#
# 0 AMB 20-2:1667 35 PRO HG- 2.60 (# 1667:20 Single Ambig)
&rst
ixpk= 1667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 580, 581, 594, 595, 594, 595,
igr2= 577, 578,
&end
#
# 0 AMB 20-2:1668 35 PRO HG- 3.50 (# 1668:20 Single Ambig)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 498, 499, 492, 493,
igr2= 577, 578,
&end
#
# 30 LYS HD- 35 PRO HG- 3.50 (# 1669:20 Unique 3.28, 5.11 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499,
igr2= 577, 578,
&end
#
# 0 AMB 20-2:1670 0 AMB 20-1:1670 6.00 (# 1670:20 Double Ambig)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 498, 499, 492, 493,
igr2= 577, 578, 577, 578,
&end
#
# 30 LYS HD- 35 PRO HG+ 6.00 (# 1671:20 Unique 3.28, 5.11 A)
&rst
ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 498, 499,
igr2= 577, 578,
&end
#
# 30 LYS HG- 35 PRO HG- 6.00 (# 1672:20 Unique 3.87, 4.65 A)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496,
igr2= 577, 578,
&end
#
# 30 LYS HG+ 35 PRO HG+ 6.00 (# 1673:20 Unique 3.87, 4.65 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496,
igr2= 577, 578,
&end
#
# 36 GLU HN 35 PRO HD+ 3.50 (# 1675:20 Unique 2.91, 3.52 A)
&rst
ixpk= 1675, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 574, 575,
&end
#
# 36 GLU HN 35 PRO HD- 6.00 (# 1676:20 Unique 2.91, 3.52 A)
&rst
ixpk= 1676, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 574, 575,
&end
#
# 34 GLY HN 35 PRO HD+ 6.00 (# 1677:20 Unique)
&rst
ixpk= 1677, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 574, 575,
&end
#
# 34 GLY HN 35 PRO HD- 4.30 (# 1678:20 Unique)
&rst
ixpk= 1678, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 574, 575,
&end
#
# 34 GLY HA+ 35 PRO HD+ 2.60 (# 1679:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 568, 569,
igr2= 574, 575,
&end
#
# 34 GLY HA+ 35 PRO HD- 2.60 (# 1680:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 568, 569,
igr2= 574, 575,
&end
#
# 34 GLY HA- 35 PRO HD+ 2.60 (# 1681:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 568, 569,
igr2= 574, 575,
&end
#
# 34 GLY HA- 35 PRO HD- 2.60 (# 1682:20 Unique 2.34, 2.80 A)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 568, 569,
igr2= 574, 575,
&end
#
# 31 ALA HA 35 PRO HD+ 6.00 (# 1683:20 Unique 5.13, 5.85 A)
&rst
ixpk= 1683, nxpk= 20, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 574, 575,
&end
#
# 31 ALA HA 35 PRO HD- 6.00 (# 1684:20 Unique 5.13, 5.85 A)
&rst
ixpk= 1684, nxpk= 20, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 574, 575,
&end
#
# 35 PRO HA 35 PRO HD+ 3.50 (# 1685:20 Unique 3.34, 3.75 A)
&rst
ixpk= 1685, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 574, 575,
&end
#
# 35 PRO HA 35 PRO HD- 3.50 (# 1686:20 Unique 3.34, 3.75 A)
&rst
ixpk= 1686, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 574, 575,
&end
#
# 0 AMB 20-2:1687 0 AMB 20-1:1687 3.50 (# 1687:20 Double Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 580, 581, 594, 595, 594, 595,
igr2= 574, 575, 574, 575, 574, 575,
&end
#
# 0 AMB 20-2:1688 35 PRO HD- 3.50 (# 1688:20 Single Ambig)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 580, 581, 594, 595, 594, 595,
igr2= 574, 575,
&end
#
# 35 PRO HG+ 35 PRO HD- 2.60 (# 1689:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 577, 578,
igr2= 574, 575,
&end
#
# 35 PRO HG+ 35 PRO HD+ 2.60 (# 1690:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 577, 578,
igr2= 574, 575,
&end
#
# 35 PRO HG- 35 PRO HD+ 2.60 (# 1691:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 577, 578,
igr2= 574, 575,
&end
#
# 35 PRO HG- 35 PRO HD- 2.60 (# 1692:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 577, 578,
igr2= 574, 575,
&end
#
# 30 LYS HB- 35 PRO HD+ 6.00 (# 1693:20 Unique 2.60, 5.53 A)
&rst
ixpk= 1693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 492, 493,
igr2= 574, 575,
&end
#
# 30 LYS HB- 35 PRO HD- 6.00 (# 1694:20 Unique 2.60, 5.53 A)
&rst
ixpk= 1694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 492, 493,
igr2= 574, 575,
&end
#
# 36 GLU HN 36 GLU HA 3.50 (# 1695:20 Unique 2.85, 2.88 A)
&rst
ixpk= 1695, nxpk= 20, iat= 587, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ALA HN 36 GLU HA 3.50 (# 1696:20 Unique 3.48, 3.50 A)
&rst
ixpk= 1696, nxpk= 20, iat= 602, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLU HN 36 GLU HA 6.00 (# 1697:20 Unique 3.92, 3.96 A)
&rst
ixpk= 1697, nxpk= 20, iat= 628, 589, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 VAL HN 36 GLU HA 6.00 (# 1698:20 Unique 4.96, 5.04 A)
&rst
ixpk= 1698, nxpk= 20, iat= 612, 589, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 GLU HA 36 GLU HA 6.00 (# 1699:20 Unique 6.03, 6.06 A)
&rst
ixpk= 1699, nxpk= 20, iat= 630, 589, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 GLU HG+ 36 GLU HA 6.00 (# 1700:20 Unique 4.26, 5.22 A)
&rst
ixpk= 1700, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 635, 636,
&end
#
# 0 AMB 20-2:1701 36 GLU HA 2.60 (# 1701:20 Single Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 594, 595, 594, 595,
&end
#
# 36 GLU HB- 36 GLU HA 2.20 (# 1702:20 Unique 2.32, 2.67 A)
&rst
ixpk= 1702, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 591, 592,
&end
#
# 0 AMB 20-2:1703 36 GLU HA 3.50 (# 1703:20 Single Ambig)
&rst
ixpk= 1703, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 591, 592, 632, 633,
&end
#
# 39 GLU HB+ 36 GLU HA 4.30 (# 1704:20 Unique 3.12, 4.00 A)
&rst
ixpk= 1704, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 632, 633,
&end
#
# 37 ALA MB 36 GLU HA 6.00 (# 1705:20 Unique 5.62, 6.08 A)
&rst
ixpk= 1705, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 36 GLU HN 36 GLU HB+ 2.60 (# 1706:20 Unique 2.70, 3.14 A)
&rst
ixpk= 1706, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 591, 592,
&end
#
# 36 GLU HN 36 GLU HB- 2.60 (# 1707:20 Unique 2.70, 3.14 A)
&rst
ixpk= 1707, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 591, 592,
&end
#
# 37 ALA HN 36 GLU HB+ 2.60 (# 1708:20 Unique 2.53, 3.21 A)
&rst
ixpk= 1708, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 591, 592,
&end
#
# 37 ALA HN 36 GLU HB- 2.60 (# 1709:20 Unique 2.53, 3.21 A)
&rst
ixpk= 1709, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 591, 592,
&end
#
# 38 VAL HN 0 AMB 20-1:1710 6.00 (# 1710:20 Single Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 632, 633, 591, 592,
&end
#
# 38 VAL HN 36 GLU HB- 6.00 (# 1711:20 Unique 5.07, 5.63 A)
&rst
ixpk= 1711, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 591, 592,
&end
#
# 7 TYR HE 39 GLU HB- 6.00 (# 1712:20 Unique 4.34, 6.66 A)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 130,
igr2= 632, 633,
&end
#
# 40 SER HA 0 AMB 20-1:1713 6.00 (# 1713:20 Single Ambig)
&rst
ixpk= 1713, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 632, 633, 591, 592,
&end
#
# 0 AMB 20-2:1714 36 GLU HB- 6.00 (# 1714:20 Single Ambig)
&rst
ixpk= 1714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 568, 569,
igr2= 591, 592,
&end
#
# 0 AMB 20-2:1715 0 AMB 20-1:1715 3.50 (# 1715:20 Double Ambig)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 589, 604,
igr2= 591, 592, 632, 633, 591, 592,
&end
#
# 36 GLU HA 36 GLU HB- 2.20 (# 1716:20 Unique 2.32, 2.67 A)
&rst
ixpk= 1716, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 591, 592,
&end
#
# 0 AMB 20-2:1717 0 AMB 20-1:1717 2.20 (# 1717:20 Double Ambig)
&rst
ixpk= 1717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 594, 595, 594, 595,
igr2= 591, 592, 591, 592,
&end
#
# 0 AMB 20-2:1718 36 GLU HB- 2.20 (# 1718:20 Single Ambig)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 594, 595, 594, 595,
igr2= 591, 592,
&end
#
# 37 ALA MB 36 GLU HB+ 3.50 (# 1719:20 Unique 3.78, 5.33 A)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 606, 607, 608,
igr2= 591, 592,
&end
#
# 37 ALA MB 36 GLU HB- 3.50 (# 1720:20 Unique 3.78, 5.33 A)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 606, 607, 608,
igr2= 591, 592,
&end
#
# 38 VAL HB 39 GLU HB- 6.00 (# 1721:20 Unique 5.96, 6.44 A)
&rst
ixpk= 1721, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 632, 633,
&end
#
# 36 GLU HN 36 GLU HG+ 3.50 (# 1722:20 Unique 1.82, 2.30 A)
&rst
ixpk= 1722, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 594, 595,
&end
#
# 36 GLU HN 36 GLU HG- 2.60 (# 1723:20 Unique 1.82, 2.30 A)
&rst
ixpk= 1723, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 594, 595,
&end
#
# 37 ALA HN 36 GLU HG+ 3.50 (# 1724:20 Unique 3.70, 4.16 A)
&rst
ixpk= 1724, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 594, 595,
&end
#
# 37 ALA HN 36 GLU HG- 3.50 (# 1725:20 Unique 3.70, 4.16 A)
&rst
ixpk= 1725, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 594, 595,
&end
#
# 36 GLU HA 36 GLU HG+ 2.60 (# 1726:20 Unique 2.69, 3.07 A)
&rst
ixpk= 1726, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 594, 595,
&end
#
# 36 GLU HA 36 GLU HG- 2.60 (# 1727:20 Unique 2.69, 3.07 A)
&rst
ixpk= 1727, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 594, 595,
&end
#
# 37 ALA MB 36 GLU HG+ 6.00 (# 1728:20 Unique 5.33, 6.68 A)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 606, 607, 608,
igr2= 594, 595,
&end
#
# 37 ALA MB 36 GLU HG- 6.00 (# 1729:20 Unique)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 606, 607, 608,
igr2= 594, 595,
&end
#
# 41 TRP HE1 37 ALA HA 6.00 (# 1730:20 Unique 3.85, 3.91 A)
&rst
ixpk= 1730, nxpk= 20, iat= 664, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 GLU HN 37 ALA HA 6.00 (# 1731:20 Unique 5.23, 5.27 A)
&rst
ixpk= 1731, nxpk= 20, iat= 587, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ALA HN 37 ALA HA 3.50 (# 1732:20 Unique 2.91, 2.91 A)
&rst
ixpk= 1732, nxpk= 20, iat= 602, 604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1733 37 ALA HA 6.00 (# 1733:20 Single Ambig)
&rst
ixpk= 1733, nxpk= 20, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 643, 566,
&end
#
# 38 VAL HN 37 ALA HA 6.00 (# 1734:20 Unique 3.58, 3.59 A)
&rst
ixpk= 1734, nxpk= 20, iat= 612, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1736 37 ALA HA 6.00 (# 1736:20 Single Ambig)
&rst
ixpk= 1736, nxpk= 20, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 594, 595, 594, 595,
&end
#
# 0 AMB 20-2:1737 37 ALA HA 6.00 (# 1737:20 Single Ambig)
&rst
ixpk= 1737, nxpk= 20, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 591, 592, 632, 633,
&end
#
# 0 AMB 20-2:1738 37 ALA HA 6.00 (# 1738:20 Single Ambig)
&rst
ixpk= 1738, nxpk= 20, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 591, 592, 614,
&end
#
# 37 ALA MB 37 ALA HA 2.20 (# 1739:20 Unique 2.33, 2.67 A)
&rst
ixpk= 1739, nxpk= 20, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 606, 607, 608,
&end
#
# 38 VAL MGX 37 ALA HA 6.00 (# 1740:20 Unique 5.33, 6.33 A)
&rst
ixpk= 1740, nxpk= 20, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 39 GLU HN 37 ALA HA 6.00 (# 1741:20 Unique 4.51, 4.55 A)
&rst
ixpk= 1741, nxpk= 20, iat= 628, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TRP HE1 37 ALA MB 3.50 (# 1743:20 Unique 3.49, 4.63 A)
&rst
ixpk= 1743, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 606, 607, 608,
&end
#
# 33 TRP HN 37 ALA MB 6.00 (# 1744:20 Unique 5.13, 5.87 A)
&rst
ixpk= 1744, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 606, 607, 608,
&end
#
# 36 GLU HN 37 ALA MB 6.00 (# 1745:20 Unique 4.61, 5.21 A)
&rst
ixpk= 1745, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 606, 607, 608,
&end
#
# 37 ALA HN 37 ALA MB 2.20 (# 1746:20 Unique 2.32, 2.86 A)
&rst
ixpk= 1746, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 606, 607, 608,
&end
#
# 39 GLU HN 37 ALA MB 6.00 (# 1747:20 Unique 4.75, 5.36 A)
&rst
ixpk= 1747, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 606, 607, 608,
&end
#
# 0 AMB 20-2:1748 37 ALA MB 3.50 (# 1748:20 Single Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 606, 607, 608,
&end
#
# 33 TRP HD1 37 ALA MB 6.00 (# 1749:20 Unique 5.47, 5.86 A)
&rst
ixpk= 1749, nxpk= 20, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 606, 607, 608,
&end
#
# 38 VAL HN 37 ALA MB 2.60 (# 1750:20 Unique 2.08, 3.03 A)
&rst
ixpk= 1750, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 606, 607, 608,
&end
#
# 41 TRP HZ2 37 ALA MB 3.50 (# 1751:20 Unique 2.34, 3.42 A)
&rst
ixpk= 1751, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 606, 607, 608,
&end
#
# 41 TRP HD1 37 ALA MB 6.00 (# 1752:20 Unique 5.28, 6.22 A)
&rst
ixpk= 1752, nxpk= 20, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 606, 607, 608,
&end
#
# 34 GLY HA+ 37 ALA MB 6.00 (# 1755:20 Unique 3.72, 4.97 A)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 568, 569,
igr2= 606, 607, 608,
&end
#
# 0 AMB 20-2:1756 37 ALA MB 6.00 (# 1756:20 Single Ambig)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 568, 569, 647, 648,
igr2= 606, 607, 608,
&end
#
# 37 ALA HA 37 ALA MB 2.20 (# 1758:20 Unique 2.33, 2.67 A)
&rst
ixpk= 1758, nxpk= 20, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 606, 607, 608,
&end
#
# 0 AMB 20-2:1759 37 ALA MB 6.00 (# 1759:20 Single Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 490, 468, 469,
igr2= 606, 607, 608,
&end
#
# 33 TRP HB+ 37 ALA MB 3.50 (# 1760:20 Unique 3.13, 3.60 A)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 546, 547,
igr2= 606, 607, 608,
&end
#
# 33 TRP HB- 37 ALA MB 3.50 (# 1761:20 Unique 3.13, 3.60 A)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 546, 547,
igr2= 606, 607, 608,
&end
#
# 0 AMB 20-2:1762 37 ALA MB 6.00 (# 1762:20 Single Ambig)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 594, 595, 594, 595, 580, 581,
igr2= 606, 607, 608,
&end
#
# 36 GLU HB+ 37 ALA MB 3.50 (# 1763:20 Unique 3.78, 5.33 A)
&rst
ixpk= 1763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 591, 592,
igr2= 606, 607, 608,
&end
#
# 0 AMB 20-2:1764 37 ALA MB 3.50 (# 1764:20 Single Ambig)
&rst
ixpk= 1764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 614, 591, 592,
igr2= 606, 607, 608,
&end
#
# 38 VAL HB 37 ALA MB 6.00 (# 1765:20 Unique 4.97, 6.10 A)
&rst
ixpk= 1765, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 606, 607, 608,
&end
#
# 38 VAL MGX 37 ALA MB 2.60 (# 1766:20 Unique 2.83, 5.46 A)
&rst
ixpk= 1766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 606, 607, 608,
&end
#
# 37 ALA HN 38 VAL HA 6.00 (# 1767:20 Unique 5.09, 5.12 A)
&rst
ixpk= 1767, nxpk= 20, iat= 602, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1768 38 VAL HA 6.00 (# 1768:20 Single Ambig)
&rst
ixpk= 1768, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 673, 643,
&end
#
# 38 VAL HN 38 VAL HA 3.50 (# 1770:20 Unique 2.71, 2.73 A)
&rst
ixpk= 1770, nxpk= 20, iat= 612, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1771 38 VAL HA 6.00 (# 1771:20 Single Ambig)
&rst
ixpk= 1771, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 667, 479,
&end
#
# 0 AMB 20-2:1772 38 VAL HA 6.00 (# 1772:20 Single Ambig)
&rst
ixpk= 1772, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 656, 117,
&end
#
# 41 TRP HB+ 38 VAL HA 6.00 (# 1773:20 Unique 2.44, 3.53 A)
&rst
ixpk= 1773, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 658, 659,
&end
#
# 30 LYS HA 38 VAL HA 6.00 (# 1774:20 Unique 5.80, 5.90 A)
&rst
ixpk= 1774, nxpk= 20, iat= 490, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HB- 38 VAL HA 6.00 (# 1775:20 Unique 4.87, 5.91 A)
&rst
ixpk= 1775, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 38 VAL HB 38 VAL HA 3.50 (# 1776:20 Unique 2.19, 2.36 A)
&rst
ixpk= 1776, nxpk= 20, iat= 616, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ALA MB 38 VAL HA 3.50 (# 1777:20 Unique 3.76, 4.57 A)
&rst
ixpk= 1777, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 606, 607, 608,
&end
#
# 0 AMB 20-2:1779 38 VAL HA 6.00 (# 1779:20 Single Ambig)
&rst
ixpk= 1779, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496, 176, 177,
&end
#
# 38 VAL MGY 38 VAL HA 3.50 (# 1780:20 Unique 2.38, 3.53 A)
&rst
ixpk= 1780, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL MGX 38 VAL HA 2.60 (# 1781:20 Unique 2.38, 3.53 A)
&rst
ixpk= 1781, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 26 LEU MDY 38 VAL HA 6.00 (# 1782:20 Unique 4.65, 6.50 A)
&rst
ixpk= 1782, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 37 ALA HN 38 VAL HB 6.00 (# 1783:20 Unique 6.08, 6.10 A)
&rst
ixpk= 1783, nxpk= 20, iat= 602, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 GLU HN 38 VAL HB 3.50 (# 1784:20 Unique 3.85, 3.95 A)
&rst
ixpk= 1784, nxpk= 20, iat= 628, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 VAL HN 38 VAL HB 3.50 (# 1785:20 Unique 3.53, 3.55 A)
&rst
ixpk= 1785, nxpk= 20, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLU HA 38 VAL HB 6.00 (# 1786:20 Unique 4.58, 4.71 A)
&rst
ixpk= 1786, nxpk= 20, iat= 630, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1787 38 VAL HB 3.50 (# 1787:20 Single Ambig)
&rst
ixpk= 1787, nxpk= 20, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 658, 659, 583,
&end
#
# 0 AMB 20-2:1788 38 VAL HB 6.00 (# 1788:20 Single Ambig)
&rst
ixpk= 1788, nxpk= 20, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 468, 469, 490,
&end
#
# 30 LYS HE+ 38 VAL HB 6.00 (# 1789:20 Unique 4.91, 5.30 A)
&rst
ixpk= 1789, nxpk= 20, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 38 VAL HA 38 VAL HB 3.50 (# 1791:20 Unique 2.19, 2.36 A)
&rst
ixpk= 1791, nxpk= 20, iat= 614, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ALA MB 38 VAL HB 6.00 (# 1792:20 Unique 4.97, 6.10 A)
&rst
ixpk= 1792, nxpk= 20, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 30 LYS HG- 38 VAL HB 6.00 (# 1793:20 Unique 4.33, 5.88 A)
&rst
ixpk= 1793, nxpk= 20, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 495, 496,
&end
#
# 38 VAL MGY 38 VAL HB 2.60 (# 1794:20 Unique 2.30, 2.63 A)
&rst
ixpk= 1794, nxpk= 20, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL MGX 38 VAL HB 2.60 (# 1795:20 Unique 2.30, 2.63 A)
&rst
ixpk= 1795, nxpk= 20, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 29 TRP HN 38 VAL MGX 6.00 (# 1796:20 Unique 4.42, 6.15 A)
&rst
ixpk= 1796, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HN 38 VAL MGX 3.50 (# 1797:20 Unique 2.81, 4.39 A)
&rst
ixpk= 1797, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 33 TRP HN 38 VAL MGX 6.00 (# 1798:20 Unique 4.60, 6.21 A)
&rst
ixpk= 1798, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1799 38 VAL MGX 6.00 (# 1799:20 Single Ambig)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 602, 427,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 39 GLU HN 38 VAL MGX 3.50 (# 1800:20 Unique 2.54, 4.01 A)
&rst
ixpk= 1800, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1801 38 VAL MGX 3.50 (# 1801:20 Single Ambig)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 673, 566,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL HN 38 VAL MGX 2.60 (# 1804:20 Unique 2.05, 3.09 A)
&rst
ixpk= 1804, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 41 TRP HZ2 38 VAL MGX 6.00 (# 1805:20 Unique 5.01, 7.14 A)
&rst
ixpk= 1805, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 33 TRP HZ3 38 VAL MGX 6.00 (# 1806:20 Unique 5.13, 7.28 A)
&rst
ixpk= 1806, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 29 TRP HA 38 VAL MGX 6.00 (# 1809:20 Unique 4.05, 5.81 A)
&rst
ixpk= 1809, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 35 PRO HA 38 VAL MGX 3.50 (# 1811:20 Unique 2.08, 3.65 A)
&rst
ixpk= 1811, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1812 38 VAL MGX 2.20 (# 1812:20 Single Ambig)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 468, 469, 490,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 29 TRP HB- 38 VAL MGX 2.60 (# 1813:20 Unique 2.21, 4.07 A)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 468, 469,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 33 TRP HB+ 38 VAL MGX 3.50 (# 1814:20 Unique 3.58, 6.21 A)
&rst
ixpk= 1814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 546, 547,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 26 LEU HA 38 VAL MGX 6.00 (# 1815:20 Unique 4.28, 5.57 A)
&rst
ixpk= 1815, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 33 TRP HB- 38 VAL MGX 3.50 (# 1816:20 Unique 3.58, 6.21 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 546, 547,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HE+ 38 VAL MGX 3.50 (# 1817:20 Unique 2.77, 4.62 A)
&rst
ixpk= 1817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 501, 502,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HE- 38 VAL MGX 6.00 (# 1818:20 Unique 2.77, 4.62 A)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 501, 502,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 35 PRO HB+ 38 VAL MGX 6.00 (# 1819:20 Unique 3.73, 5.86 A)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 580, 581,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1820 38 VAL MGX 6.00 (# 1820:20 Single Ambig)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 632, 633, 577, 578, 591, 592,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1821 38 VAL MGX 2.20 (# 1821:20 Single Ambig)
&rst
ixpk= 1821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 614, 495, 496,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 39 GLU HB+ 38 VAL MGX 6.00 (# 1822:20 Unique 4.26, 6.52 A)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 632, 633,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1823 38 VAL MGX 2.20 (# 1823:20 Single Ambig)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 616, 492, 493,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 37 ALA MB 38 VAL MGX 2.60 (# 1825:20 Unique 2.83, 5.46 A)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 606, 607, 608,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 26 LEU HG 38 VAL MGX 6.00 (# 1826:20 Unique 3.13, 5.57 A)
&rst
ixpk= 1826, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HG- 38 VAL MGX 2.60 (# 1827:20 Unique 2.39, 4.61 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 495, 496,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 26 LEU MDY 38 VAL MGX 3.50 (# 1829:20 Unique 2.28, 5.43 A)
&rst
ixpk= 1829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HN 38 VAL MGY 6.00 (# 1830:20 Unique 2.81, 4.39 A)
&rst
ixpk= 1830, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 29 TRP HN 38 VAL MGY 6.00 (# 1831:20 Unique 4.42, 6.15 A)
&rst
ixpk= 1831, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1832 38 VAL MGY 6.00 (# 1832:20 Single Ambig)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 602, 427,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 39 GLU HN 38 VAL MGY 3.50 (# 1833:20 Unique 2.54, 4.01 A)
&rst
ixpk= 1833, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 41 TRP HE3 38 VAL MGY 3.50 (# 1835:20 Unique 2.84, 5.19 A)
&rst
ixpk= 1835, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 7 TYR HD 38 VAL MGY 3.50 (# 1837:20 Unique 3.42, 6.87 A)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 123, 132,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 7 TYR HE 38 VAL MGY 3.50 (# 1838:20 Unique 3.08, 7.04 A)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 125, 130,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 41 TRP HZ3 38 VAL MGY 4.30 (# 1839:20 Unique)
&rst
ixpk= 1839, nxpk= 20, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 39 GLU HA 38 VAL MGY 6.00 (# 1841:20 Unique 3.46, 5.59 A)
&rst
ixpk= 1841, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 35 PRO HA 38 VAL MGY 3.50 (# 1842:20 Unique 2.08, 3.65 A)
&rst
ixpk= 1842, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1843 38 VAL MGY 3.50 (# 1843:20 Single Ambig)
&rst
ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 468, 469, 490,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 26 LEU HA 38 VAL MGY 6.00 (# 1844:20 Unique 4.28, 5.57 A)
&rst
ixpk= 1844, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HE+ 38 VAL MGY 3.50 (# 1845:20 Unique 2.77, 4.62 A)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 501, 502,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HE- 38 VAL MGY 6.00 (# 1846:20 Unique 2.77, 4.62 A)
&rst
ixpk= 1846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 501, 502,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 39 GLU HG+ 38 VAL MGY 6.00 (# 1847:20 Unique 2.42, 5.35 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 635, 636,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 35 PRO HB+ 38 VAL MGY 6.00 (# 1848:20 Unique 3.73, 5.86 A)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 580, 581,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1849 38 VAL MGY 3.50 (# 1849:20 Single Ambig)
&rst
ixpk= 1849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 614, 495, 496,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL HB 38 VAL MGY 2.20 (# 1850:20 Unique 2.30, 2.63 A)
&rst
ixpk= 1850, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1851 38 VAL MGY 4.30 (# 1851:20 Single Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 632, 633, 577, 578, 591, 592,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 37 ALA MB 38 VAL MGY 6.00 (# 1852:20 Unique 2.83, 5.46 A)
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 606, 607, 608,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 26 LEU MDX 38 VAL MGY 3.50 (# 1854:20 Unique 2.28, 5.43 A)
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 26 LEU MDY 38 VAL MGY 2.60 (# 1855:20 Unique 2.28, 5.43 A)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 16 ILE MD1 38 VAL MGY 6.00 (# 1856:20 Unique 5.71, 7.43 A)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 269, 270, 271,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 29 TRP HB- 38 VAL MGY 3.50 (# 1857:20 Unique 2.21, 4.07 A)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 468, 469,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL HN 38 VAL MGY 3.50 (# 1858:20 Unique 2.05, 3.09 A)
&rst
ixpk= 1858, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 39 GLU HN 39 GLU HA 3.50 (# 1859:20 Unique 2.90, 2.92 A)
&rst
ixpk= 1859, nxpk= 20, iat= 628, 630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 SER HN 39 GLU HA 6.00 (# 1860:20 Unique 3.51, 3.53 A)
&rst
ixpk= 1860, nxpk= 20, iat= 643, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ALA HN 39 GLU HA 3.50 (# 1861:20 Unique 3.78, 4.24 A)
&rst
ixpk= 1861, nxpk= 20, iat= 678, 630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 TYR HE 39 GLU HA 2.20 (# 1862:20 Unique 2.25, 4.33 A)
&rst
ixpk= 1862, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 125, 130,
&end
#
# 39 GLU HG- 39 GLU HA 3.50 (# 1864:20 Unique 2.37, 2.80 A)
&rst
ixpk= 1864, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 635, 636,
&end
#
# 39 GLU HG+ 39 GLU HA 3.50 (# 1865:20 Unique 2.37, 2.80 A)
&rst
ixpk= 1865, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 635, 636,
&end
#
# 39 GLU HB+ 39 GLU HA 2.60 (# 1866:20 Unique 2.53, 2.80 A)
&rst
ixpk= 1866, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 632, 633,
&end
#
# 39 GLU HB- 39 GLU HA 2.60 (# 1867:20 Unique 2.53, 2.80 A)
&rst
ixpk= 1867, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 632, 633,
&end
#
# 0 AMB 20-2:1868 39 GLU HA 6.00 (# 1868:20 Single Ambig)
&rst
ixpk= 1868, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 616, 80, 81,
&end
#
# 0 AMB 20-2:1869 39 GLU HA 6.00 (# 1869:20 Single Ambig)
&rst
ixpk= 1869, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 80, 81, 606, 607, 608,
&end
#
# 5 LYS HG- 39 GLU HA 6.00 (# 1870:20 Unique 6.21, 7.19 A)
&rst
ixpk= 1870, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 42 ALA MB 39 GLU HA 3.50 (# 1871:20 Unique 2.30, 3.43 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 682, 683, 684,
&end
#
# 26 LEU MDX 39 GLU HA 6.00 (# 1872:20 Unique 4.80, 6.39 A)
&rst
ixpk= 1872, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 38 VAL MGX 39 GLU HA 6.00 (# 1873:20 Unique 3.46, 5.59 A)
&rst
ixpk= 1873, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 26 LEU MDY 39 GLU HA 6.00 (# 1874:20 Unique 4.80, 6.39 A)
&rst
ixpk= 1874, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 39 GLU HN 39 GLU HB+ 2.60 (# 1875:20 Unique 2.31, 2.99 A)
&rst
ixpk= 1875, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 632, 633,
&end
#
# 39 GLU HN 39 GLU HB- 2.60 (# 1876:20 Unique 2.31, 2.99 A)
&rst
ixpk= 1876, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 632, 633,
&end
#
# 40 SER HN 39 GLU HB+ 6.00 (# 1877:20 Unique 2.96, 3.42 A)
&rst
ixpk= 1877, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 632, 633,
&end
#
# 40 SER HN 39 GLU HB- 3.50 (# 1878:20 Unique 2.96, 3.42 A)
&rst
ixpk= 1878, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 632, 633,
&end
#
# 38 VAL HN 39 GLU HB+ 6.00 (# 1879:20 Unique 4.94, 5.74 A)
&rst
ixpk= 1879, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 632, 633,
&end
#
# 7 TYR HE 39 GLU HB+ 6.00 (# 1880:20 Unique 4.34, 6.66 A)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 130,
igr2= 632, 633,
&end
#
# 39 GLU HA 39 GLU HB+ 3.50 (# 1881:20 Unique 2.53, 2.80 A)
&rst
ixpk= 1881, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 632, 633,
&end
#
# 39 GLU HA 39 GLU HB- 2.60 (# 1882:20 Unique 2.53, 2.80 A)
&rst
ixpk= 1882, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 632, 633,
&end
#
# 0 AMB 20-2:1883 0 AMB 20-1:1883 3.50 (# 1883:20 Double Ambig)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 589, 583,
igr2= 632, 633, 632, 633,
&end
#
# 0 AMB 20-2:1884 0 AMB 20-1:1884 2.20 (# 1884:20 Double Ambig)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 635, 636, 635, 636,
igr2= 632, 633, 632, 633,
&end
#
# 39 GLU HG+ 39 GLU HB- 2.20 (# 1885:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 635, 636,
igr2= 632, 633,
&end
#
# 38 VAL MGY 39 GLU HB+ 6.00 (# 1886:20 Unique 4.26, 6.52 A)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 632, 633,
&end
#
# 38 VAL MGY 0 AMB 20-1:1887 6.00 (# 1887:20 Single Ambig)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 632, 633, 591, 592,
&end
#
# 39 GLU HN 39 GLU HG+ 2.60 (# 1888:20 Unique 2.56, 3.19 A)
&rst
ixpk= 1888, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 635, 636,
&end
#
# 39 GLU HN 39 GLU HG- 2.60 (# 1889:20 Unique 2.56, 3.19 A)
&rst
ixpk= 1889, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 635, 636,
&end
#
# 40 SER HN 39 GLU HG+ 6.00 (# 1890:20 Unique 4.64, 4.94 A)
&rst
ixpk= 1890, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 635, 636,
&end
#
# 40 SER HN 39 GLU HG- 6.00 (# 1891:20 Unique 4.64, 4.94 A)
&rst
ixpk= 1891, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 635, 636,
&end
#
# 7 TYR HE 39 GLU HG+ 6.00 (# 1892:20 Unique 2.80, 5.29 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 130,
igr2= 635, 636,
&end
#
# 7 TYR HE 39 GLU HG- 6.00 (# 1893:20 Unique 2.80, 5.29 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 130,
igr2= 635, 636,
&end
#
# 39 GLU HA 39 GLU HG+ 3.50 (# 1896:20 Unique 2.37, 2.80 A)
&rst
ixpk= 1896, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 635, 636,
&end
#
# 39 GLU HA 39 GLU HG- 3.50 (# 1897:20 Unique 2.37, 2.80 A)
&rst
ixpk= 1897, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 635, 636,
&end
#
# 0 AMB 20-2:1898 0 AMB 20-1:1898 3.50 (# 1898:20 Double Ambig)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 583, 589,
igr2= 635, 636, 635, 636,
&end
#
# 0 AMB 20-2:1899 39 GLU HG- 3.50 (# 1899:20 Single Ambig)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 583, 589,
igr2= 635, 636,
&end
#
# 30 LYS HE+ 39 GLU HG+ 6.00 (# 1900:20 Unique 3.75, 4.88 A)
&rst
ixpk= 1900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 635, 636,
&end
#
# 30 LYS HE+ 39 GLU HG- 6.00 (# 1901:20 Unique 3.75, 4.88 A)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 635, 636,
&end
#
# 39 GLU HB- 39 GLU HG+ 2.60 (# 1902:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 632, 633,
igr2= 635, 636,
&end
#
# 39 GLU HB- 39 GLU HG- 2.20 (# 1903:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 632, 633,
igr2= 635, 636,
&end
#
# 39 GLU HB+ 39 GLU HG+ 2.20 (# 1904:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 632, 633,
igr2= 635, 636,
&end
#
# 39 GLU HB+ 39 GLU HG- 2.20 (# 1905:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 632, 633,
igr2= 635, 636,
&end
#
# 38 VAL MGY 39 GLU HG+ 6.00 (# 1906:20 Unique 2.42, 5.35 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 635, 636,
&end
#
# 38 VAL MGY 39 GLU HG- 6.00 (# 1907:20 Unique 2.42, 5.35 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 635, 636,
&end
#
# 0 AMB 20-2:1908 0 AMB 20-1:1908 6.00 (# 1908:20 Double Ambig)
&rst
ixpk= 1908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 616, 492, 493, 80, 81,
igr2= 635, 636, 635, 636, 635, 636,
&end
#
# 0 AMB 20-2:1909 39 GLU HG- 6.00 (# 1909:20 Single Ambig)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 616, 492, 493, 80, 81,
igr2= 635, 636,
&end
#
# 41 TRP HN 40 SER HA 3.50 (# 1910:20 Unique 3.57, 3.58 A)
&rst
ixpk= 1910, nxpk= 20, iat= 654, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 SER HN 40 SER HA 3.50 (# 1911:20 Unique 2.89, 2.90 A)
&rst
ixpk= 1911, nxpk= 20, iat= 643, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 ALA HN 40 SER HA 6.00 (# 1912:20 Unique 3.59, 3.66 A)
&rst
ixpk= 1912, nxpk= 20, iat= 678, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 SER HB+ 40 SER HA 2.60 (# 1914:20 Unique 2.49, 2.77 A)
&rst
ixpk= 1914, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 647, 648,
&end
#
# 40 SER HB- 40 SER HA 2.60 (# 1915:20 Unique 2.49, 2.77 A)
&rst
ixpk= 1915, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 647, 648,
&end
#
# 41 TRP HN 40 SER HB+ 6.00 (# 1916:20 Unique 2.56, 3.22 A)
&rst
ixpk= 1916, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 647, 648,
&end
#
# 41 TRP HN 40 SER HB- 6.00 (# 1917:20 Unique 2.56, 3.22 A)
&rst
ixpk= 1917, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 647, 648,
&end
#
# 40 SER HN 40 SER HB+ 3.50 (# 1918:20 Unique 2.39, 2.63 A)
&rst
ixpk= 1918, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 647, 648,
&end
#
# 40 SER HN 40 SER HB- 3.50 (# 1919:20 Unique 2.39, 2.63 A)
&rst
ixpk= 1919, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 647, 648,
&end
#
# 40 SER HA 40 SER HB+ 2.60 (# 1920:20 Unique 2.49, 2.77 A)
&rst
ixpk= 1920, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 647, 648,
&end
#
# 40 SER HA 40 SER HB- 2.60 (# 1921:20 Unique 2.49, 2.77 A)
&rst
ixpk= 1921, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 647, 648,
&end
#
# 41 TRP HB- 41 TRP HA 3.50 (# 1922:20 Unique 2.26, 2.69 A)
&rst
ixpk= 1922, nxpk= 20, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 658, 659,
&end
#
# 41 TRP HD1 41 TRP HA 3.50 (# 1923:20 Unique 2.54, 2.67 A)
&rst
ixpk= 1923, nxpk= 20, iat= 662, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 TRP HN 41 TRP HA 4.30 (# 1924:20 Unique 2.88, 2.89 A)
&rst
ixpk= 1924, nxpk= 20, iat= 654, 656, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 TRP HE1 41 TRP HA 6.00 (# 1925:20 Unique 5.02, 5.15 A)
&rst
ixpk= 1925, nxpk= 20, iat= 664, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TRP HN 41 TRP HB+ 4.30 (# 1926:20 Unique 2.53, 3.12 A)
&rst
ixpk= 1926, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 658, 659,
&end
#
# 41 TRP HN 41 TRP HB- 3.50 (# 1927:20 Unique 2.53, 3.12 A)
&rst
ixpk= 1927, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 658, 659,
&end
#
# 8 LYS HN 41 TRP HB- 4.30 (# 1928:20 Unique 2.86, 3.34 A)
&rst
ixpk= 1928, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 658, 659,
&end
#
# 8 LYS HN 41 TRP HB+ 3.50 (# 1929:20 Unique 2.86, 3.34 A)
&rst
ixpk= 1929, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 658, 659,
&end
#
# 7 TYR HD 41 TRP HB+ 6.00 (# 1932:20 Unique 3.47, 6.06 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 123, 132,
igr2= 658, 659,
&end
#
# 7 TYR HD 41 TRP HB- 6.00 (# 1933:20 Unique 3.47, 6.06 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 123, 132,
igr2= 658, 659,
&end
#
# 41 TRP HA 41 TRP HB+ 3.50 (# 1934:20 Unique 2.26, 2.69 A)
&rst
ixpk= 1934, nxpk= 20, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 658, 659,
&end
#
# 41 TRP HA 41 TRP HB- 3.50 (# 1935:20 Unique 2.26, 2.69 A)
&rst
ixpk= 1935, nxpk= 20, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 658, 659,
&end
#
# 0 AMB 20-2:1936 41 TRP HB- 6.00 (# 1936:20 Single Ambig)
&rst
ixpk= 1936, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 658, 659,
&end
#
# 0 AMB 20-2:1937 0 AMB 20-1:1937 6.00 (# 1937:20 Double Ambig)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 658, 659,
&end
#
# 0 AMB 20-2:1938 41 TRP HB- 6.00 (# 1938:20 Single Ambig)
&rst
ixpk= 1938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 658, 659,
&end
#
# 42 ALA MB 42 ALA HA 6.00 (# 1939:20 Unique 2.36, 2.64 A)
&rst
ixpk= 1939, nxpk= 20, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 682, 683, 684,
&end
#
# 7 TYR HN 42 ALA MB 6.00 (# 1940:20 Unique 5.74, 6.59 A)
&rst
ixpk= 1940, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 682, 683, 684,
&end
#
# 43 THR HN 42 ALA MB 2.60 (# 1942:20 Unique 2.45, 3.34 A)
&rst
ixpk= 1942, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 682, 683, 684,
&end
#
# 44 LEU HN 42 ALA MB 6.00 (# 1943:20 Unique 5.96, 6.65 A)
&rst
ixpk= 1943, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 682, 683, 684,
&end
#
# 5 LYS HN 42 ALA MB 6.00 (# 1944:20 Unique 6.20, 7.28 A)
&rst
ixpk= 1944, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 682, 683, 684,
&end
#
# 41 TRP HN 42 ALA MB 6.00 (# 1945:20 Unique 4.62, 5.44 A)
&rst
ixpk= 1945, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 682, 683, 684,
&end
#
# 8 LYS HN 42 ALA MB 6.00 (# 1946:20 Unique 5.30, 5.93 A)
&rst
ixpk= 1946, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:1947 42 ALA MB 6.00 (# 1947:20 Single Ambig)
&rst
ixpk= 1947, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 682, 683, 684,
&end
#
# 42 ALA HN 42 ALA MB 2.60 (# 1948:20 Unique 2.65, 3.14 A)
&rst
ixpk= 1948, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 682, 683, 684,
&end
#
# 7 TYR HD 42 ALA MB 3.50 (# 1949:20 Unique 2.90, 4.87 A)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 123, 132,
igr2= 682, 683, 684,
&end
#
# 7 TYR HE 42 ALA MB 2.60 (# 1950:20 Unique 2.49, 4.39 A)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 125, 130,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:1951 42 ALA MB 3.50 (# 1951:20 Single Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 682, 683, 684,
&end
#
# 42 ALA HA 42 ALA MB 2.20 (# 1952:20 Unique 2.36, 2.64 A)
&rst
ixpk= 1952, nxpk= 20, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:1953 42 ALA MB 6.00 (# 1953:20 Single Ambig)
&rst
ixpk= 1953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 645, 704,
igr2= 682, 683, 684,
&end
#
# 39 GLU HA 42 ALA MB 2.60 (# 1954:20 Unique 2.30, 3.43 A)
&rst
ixpk= 1954, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 682, 683, 684,
&end
#
# 43 THR HB 42 ALA MB 6.00 (# 1955:20 Unique 5.26, 6.07 A)
&rst
ixpk= 1955, nxpk= 20, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:1956 42 ALA MB 2.60 (# 1956:20 Single Ambig)
&rst
ixpk= 1956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 89, 90, 89, 90,
igr2= 682, 683, 684,
&end
#
# 5 LYS HD+ 42 ALA MB 2.60 (# 1957:20 Unique 2.36, 3.95 A)
&rst
ixpk= 1957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 86, 87,
igr2= 682, 683, 684,
&end
#
# 5 LYS HB+ 42 ALA MB 2.60 (# 1958:20 Unique 2.73, 4.49 A)
&rst
ixpk= 1958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 80, 81,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:1959 42 ALA MB 2.60 (# 1959:20 Single Ambig)
&rst
ixpk= 1959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 80, 81, 83, 84,
igr2= 682, 683, 684,
&end
#
# 26 LEU MDY 42 ALA MB 6.00 (# 1960:20 Unique 5.35, 7.39 A)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 682, 683, 684,
&end
#
# 43 THR HN 43 THR HA 3.50 (# 1961:20 Unique 3.00, 3.01 A)
&rst
ixpk= 1961, nxpk= 20, iat= 688, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 LEU HN 43 THR HA 2.20 (# 1963:20 Unique 2.04, 2.13 A)
&rst
ixpk= 1963, nxpk= 20, iat= 702, 690, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 43 THR HB 43 THR HA 3.50 (# 1967:20 Unique 2.99, 3.00 A)
&rst
ixpk= 1967, nxpk= 20, iat= 692, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1968 43 THR HA 3.50 (# 1968:20 Single Ambig)
&rst
ixpk= 1968, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 706, 707, 706, 707, 709,
&end
#
# 43 THR MG2 43 THR HA 2.20 (# 1969:20 Unique 2.30, 3.00 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 694, 695, 696,
&end
#
# 0 AMB 20-2:1970 43 THR HA 4.30 (# 1970:20 Single Ambig)
&rst
ixpk= 1970, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 682, 683, 684,
&end
#
# 45 LEU HN 43 THR HA 6.00 (# 1971:20 Unique 5.88, 5.98 A)
&rst
ixpk= 1971, nxpk= 20, iat= 721, 690, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 THR HN 43 THR HB 3.50 (# 1972:20 Unique 2.74, 2.80 A)
&rst
ixpk= 1972, nxpk= 20, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 LEU HN 43 THR HB 6.00 (# 1973:20 Unique 3.63, 3.73 A)
&rst
ixpk= 1973, nxpk= 20, iat= 702, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 LEU HA 43 THR HB 6.00 (# 1975:20 Unique 4.72, 4.82 A)
&rst
ixpk= 1975, nxpk= 20, iat= 704, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 THR HA 43 THR HB 3.50 (# 1977:20 Unique 2.99, 3.00 A)
&rst
ixpk= 1977, nxpk= 20, iat= 690, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLN HG+ 43 THR HB 6.00 (# 1978:20 Unique 2.36, 3.26 A)
&rst
ixpk= 1978, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 105, 106,
&end
#
# 6 GLN HB+ 43 THR HB 3.50 (# 1979:20 Unique 2.21, 3.17 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 102, 103,
&end
#
# 6 GLN HG- 43 THR HB 6.00 (# 1980:20 Unique 2.36, 3.26 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 105, 106,
&end
#
# 6 GLN HB- 43 THR HB 3.50 (# 1981:20 Unique 2.21, 3.17 A)
&rst
ixpk= 1981, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 102, 103,
&end
#
# 0 AMB 20-2:1982 43 THR HB 6.00 (# 1982:20 Single Ambig)
&rst
ixpk= 1982, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 706, 707, 706, 707,
&end
#
# 43 THR MG2 43 THR HB 2.20 (# 1983:20 Unique 2.31, 2.62 A)
&rst
ixpk= 1983, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 694, 695, 696,
&end
#
# 45 LEU MDX 43 THR HB 3.50 (# 1984:20 Unique 3.32, 4.90 A)
&rst
ixpk= 1984, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 730, 731, 732, 734, 735, 736,
&end
#
# 42 ALA MB 43 THR HB 4.30 (# 1985:20 Unique 5.26, 6.07 A)
&rst
ixpk= 1985, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 682, 683, 684,
&end
#
# 44 LEU HN 43 THR MG2 2.60 (# 1986:20 Unique 2.40, 3.21 A)
&rst
ixpk= 1986, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 694, 695, 696,
&end
#
# 43 THR HN 43 THR MG2 4.30 (# 1987:20 Unique 4.59, 4.73 A)
&rst
ixpk= 1987, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 694, 695, 696,
&end
#
# 6 GLN HE2- 43 THR MG2 6.00 (# 1989:20 Unique 5.12, 6.39 A)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 110, 111,
igr2= 694, 695, 696,
&end
#
# 6 GLN HA 43 THR MG2 6.00 (# 1990:20 Unique 6.45, 7.05 A)
&rst
ixpk= 1990, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 694, 695, 696,
&end
#
# 7 TYR HA 43 THR MG2 6.00 (# 1991:20 Unique 6.71, 7.15 A)
&rst
ixpk= 1991, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 694, 695, 696,
&end
#
# 44 LEU HA 43 THR MG2 6.00 (# 1993:20 Unique 4.42, 5.42 A)
&rst
ixpk= 1993, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 694, 695, 696,
&end
#
# 43 THR HA 43 THR MG2 2.20 (# 1994:20 Unique 2.30, 3.00 A)
&rst
ixpk= 1994, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 694, 695, 696,
&end
#
# 43 THR HB 43 THR MG2 2.20 (# 1995:20 Unique 2.31, 2.62 A)
&rst
ixpk= 1995, nxpk= 20, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 694, 695, 696,
&end
#
# 6 GLN HG+ 43 THR MG2 3.50 (# 1998:20 Unique 3.64, 5.23 A)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 105, 106,
igr2= 694, 695, 696,
&end
#
# 6 GLN HB+ 43 THR MG2 3.50 (# 2000:20 Unique 3.60, 5.17 A)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 102, 103,
igr2= 694, 695, 696,
&end
#
# 45 LEU MDX 43 THR MG2 2.60 (# 2001:20 Unique 2.82, 5.74 A)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 730, 731, 732, 734, 735, 736,
igr2= 694, 695, 696,
&end
#
# 45 LEU HN 43 THR MG2 6.00 (# 2004:20 Unique 4.99, 6.12 A)
&rst
ixpk= 2004, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 694, 695, 696,
&end
#
# 6 GLN HN 43 THR MG2 6.00 (# 2005:20 Unique 4.34, 5.10 A)
&rst
ixpk= 2005, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 694, 695, 696,
&end
#
# 6 GLN HN 44 LEU HA 6.00 (# 2006:20 Unique 3.63, 3.92 A)
&rst
ixpk= 2006, nxpk= 20, iat= 98, 704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HN 44 LEU HA 2.60 (# 2007:20 Unique 2.12, 2.15 A)
&rst
ixpk= 2007, nxpk= 20, iat= 721, 704, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 44 LEU HN 44 LEU HA 3.50 (# 2008:20 Unique 2.95, 2.97 A)
&rst
ixpk= 2008, nxpk= 20, iat= 702, 704, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2009 44 LEU HA 6.00 (# 2009:20 Single Ambig)
&rst
ixpk= 2009, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 42, 43, 80, 81, 48, 49, 48, 49,
&end
#
# 45 LEU HB- 44 LEU HA 6.00 (# 2010:20 Unique 4.59, 5.23 A)
&rst
ixpk= 2010, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 725, 726,
&end
#
# 0 AMB 20-2:2011 44 LEU HA 3.50 (# 2011:20 Single Ambig)
&rst
ixpk= 2011, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 706, 707, 706, 707, 709,
&end
#
# 5 LYS HG- 44 LEU HA 6.00 (# 2012:20 Unique 3.24, 3.51 A)
&rst
ixpk= 2012, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 44 LEU MDY 44 LEU HA 6.00 (# 2013:20 Unique 2.46, 3.97 A)
&rst
ixpk= 2013, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 711, 712, 713, 715, 716, 717,
&end
#
# 44 LEU MDX 44 LEU HA 2.60 (# 2014:20 Unique 2.46, 3.97 A)
&rst
ixpk= 2014, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 711, 712, 713, 715, 716, 717,
&end
#
# 45 LEU HN 0 AMB 20-1:2015 2.60 (# 2015:20 Single Ambig)
&rst
ixpk= 2015, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 725, 726, 706, 707, 706, 707,
&end
#
# 44 LEU HN 0 AMB 20-1:2016 2.60 (# 2016:20 Single Ambig)
&rst
ixpk= 2016, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 706, 707, 706, 707,
&end
#
# 6 GLN HN 0 AMB 20-1:2017 6.00 (# 2017:20 Single Ambig)
&rst
ixpk= 2017, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 725, 726, 706, 707, 706, 707,
&end
#
# 0 AMB 20-2:2018 0 AMB 20-1:2018 3.50 (# 2018:20 Double Ambig)
&rst
ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 740, 60,
igr2= 725, 726, 725, 726, 706, 707, 706, 707,
&end
#
# 0 AMB 20-2:2019 45 LEU HB- 3.50 (# 2019:20 Single Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 740, 60,
igr2= 725, 726,
&end
#
# 45 LEU HN 45 LEU HB- 2.60 (# 2020:20 Unique 2.55, 3.20 A)
&rst
ixpk= 2020, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:2021 0 AMB 20-1:2021 2.60 (# 2021:20 Double Ambig)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 723, 690,
igr2= 725, 726, 706, 707, 706, 707,
&end
#
# 44 LEU HA 0 AMB 20-1:2022 2.60 (# 2022:20 Single Ambig)
&rst
ixpk= 2022, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 706, 707, 706, 707,
&end
#
# 0 AMB 20-2:2023 0 AMB 20-1:2023 6.00 (# 2023:20 Double Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1= 742, 743, 742, 743, 62, 742, 743, 742, 743,
igr2= 725, 726, 725, 726, 725, 726, 706, 707, 706, 707,
706, 707,
&end
#
# 0 AMB 20-2:2024 45 LEU HB- 6.00 (# 2024:20 Single Ambig)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 742, 743, 742, 743, 62,
igr2= 725, 726,
&end
#
# 4 VAL HB 45 LEU HB+ 3.50 (# 2025:20 Unique 2.04, 2.87 A)
&rst
ixpk= 2025, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 725, 726,
&end
#
# 4 VAL HB 45 LEU HB- 2.60 (# 2026:20 Unique 2.04, 2.87 A)
&rst
ixpk= 2026, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 725, 726,
&end
#
# 43 THR MG2 0 AMB 20-1:2027 3.50 (# 2027:20 Single Ambig)
&rst
ixpk= 2027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 694, 695, 696,
igr2= 706, 707, 706, 707, 725, 726,
&end
#
# 44 LEU MDY 0 AMB 20-1:2028 2.20 (# 2028:20 Single Ambig)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 711, 712, 713, 715, 716, 717,
igr2= 706, 707, 706, 707,
&end
#
# 0 AMB 20-2:2029 0 AMB 20-1:2029 2.20 (# 2029:20 Double Ambig)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 730, 731, 732, 734, 735, 736, 711, 712, 713, 715,
716, 717,
igr2= 725, 726, 706, 707, 706, 707,
&end
#
# 0 AMB 20-2:2030 0 AMB 20-1:2030 6.00 (# 2030:20 Double Ambig)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 102, 103, 282, 283, 102, 103,
igr2= 725, 726, 725, 726, 706, 707,
&end
#
# 0 AMB 20-2:2031 0 AMB 20-1:2031 6.00 (# 2031:20 Double Ambig)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 102, 103, 282, 283, 102, 103,
igr2= 725, 726, 260,
&end
#
# 45 LEU HN 45 LEU HA 3.50 (# 2032:20 Unique 2.94, 2.96 A)
&rst
ixpk= 2032, nxpk= 20, iat= 721, 723, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 GLY HN 45 LEU HA 2.60 (# 2033:20 Unique 2.07, 2.23 A)
&rst
ixpk= 2033, nxpk= 20, iat= 740, 723, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:2034 45 LEU HA 6.00 (# 2034:20 Single Ambig)
&rst
ixpk= 2034, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 742, 743, 742, 743,
&end
#
# 4 VAL HB 45 LEU HA 6.00 (# 2035:20 Unique 4.96, 5.12 A)
&rst
ixpk= 2035, nxpk= 20, iat= 64, 723, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2036 45 LEU HA 2.60 (# 2036:20 Single Ambig)
&rst
ixpk= 2036, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 725, 726,
&end
#
# 45 LEU HB- 45 LEU HA 2.60 (# 2037:20 Unique 2.39, 2.73 A)
&rst
ixpk= 2037, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 725, 726,
&end
#
# 43 THR MG2 45 LEU HA 6.00 (# 2038:20 Unique 4.50, 5.79 A)
&rst
ixpk= 2038, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 694, 695, 696,
&end
#
# 0 AMB 20-2:2039 45 LEU HA 6.00 (# 2039:20 Single Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 711, 712, 713, 715, 716, 717, 66, 67, 68, 70,
71, 72,
&end
#
# 45 LEU MDX 45 LEU HA 2.20 (# 2041:20 Unique 2.41, 3.76 A)
&rst
ixpk= 2041, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 730, 731, 732, 734, 735, 736,
&end
#
# 3 LYS HB- 45 LEU HA 6.00 (# 2042:20 Unique 5.42, 6.64 A)
&rst
ixpk= 2042, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 42, 43,
&end
#
# 44 LEU HN 44 LEU HG 6.00 (# 2043:20 Unique 4.18, 4.28 A)
&rst
ixpk= 2043, nxpk= 20, iat= 702, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HN 44 LEU HG 3.50 (# 2044:20 Unique 3.51, 3.57 A)
&rst
ixpk= 2044, nxpk= 20, iat= 721, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 LEU HA 44 LEU HG 3.50 (# 2045:20 Unique 2.39, 3.24 A)
&rst
ixpk= 2045, nxpk= 20, iat= 704, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2046 44 LEU HG 6.00 (# 2046:20 Single Ambig)
&rst
ixpk= 2046, nxpk= 20, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 723, 690,
&end
#
# 0 AMB 20-2:2049 44 LEU HG 6.00 (# 2049:20 Single Ambig)
&rst
ixpk= 2049, nxpk= 20, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 89, 90, 89, 90,
&end
#
# 44 LEU MDX 44 LEU HG 2.20 (# 2050:20 Unique 2.30, 2.65 A)
&rst
ixpk= 2050, nxpk= 20, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 711, 712, 713, 715, 716, 717,
&end
#
# 44 LEU MDY 44 LEU HG 2.20 (# 2051:20 Unique 2.30, 2.65 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 711, 712, 713, 715, 716, 717,
&end
#
# 6 GLN HN 44 LEU MDX 6.00 (# 2052:20 Unique 5.86, 7.66 A)
&rst
ixpk= 2052, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 45 LEU HN 44 LEU MDX 2.60 (# 2053:20 Unique 2.13, 4.44 A)
&rst
ixpk= 2053, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 46 GLY HN 44 LEU MDX 6.00 (# 2054:20 Unique 1.92, 5.09 A)
&rst
ixpk= 2054, nxpk= 20, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 5 LYS HA 44 LEU MDX 6.00 (# 2055:20 Unique 4.45, 6.46 A)
&rst
ixpk= 2055, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 44 LEU HA 44 LEU MDX 2.60 (# 2056:20 Unique 2.46, 3.97 A)
&rst
ixpk= 2056, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:2057 44 LEU MDX 6.00 (# 2057:20 Single Ambig)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 723, 690,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:2058 44 LEU MDX 6.00 (# 2058:20 Single Ambig)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 89, 90, 89, 90,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:2059 44 LEU MDX 2.20 (# 2059:20 Single Ambig)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 709, 706, 707, 706, 707,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:2060 44 LEU MDX 2.20 (# 2060:20 Single Ambig)
&rst
ixpk= 2060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 48, 49, 48, 49, 42, 43,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 45 LEU HN 44 LEU MDY 6.00 (# 2061:20 Unique 2.13, 4.44 A)
&rst
ixpk= 2061, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 44 LEU HN 44 LEU MDY 6.00 (# 2062:20 Unique 4.66, 5.30 A)
&rst
ixpk= 2062, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 46 GLY HN 44 LEU MDY 6.00 (# 2063:20 Unique 1.92, 5.09 A)
&rst
ixpk= 2063, nxpk= 20, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:2064 44 LEU MDY 6.00 (# 2064:20 Single Ambig)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 723, 690,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 3 LYS HA 44 LEU MDY 6.00 (# 2065:20 Unique 4.10, 6.32 A)
&rst
ixpk= 2065, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:2066 44 LEU MDY 6.00 (# 2066:20 Single Ambig)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 742, 743, 742, 743,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:2067 44 LEU MDY 3.50 (# 2067:20 Single Ambig)
&rst
ixpk= 2067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 51, 52, 51, 52,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:2068 8 LYS HG- 2.20 (# 2068:20 Single Ambig)
&rst
ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 146, 147, 146, 147,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:2069 0 AMB 20-1:2069 2.20 (# 2069:20 Double Ambig)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 709, 140, 141, 706, 707, 706, 707,
igr2= 711, 712, 713, 715, 716, 717, 143, 144,
&end
#
# 0 AMB 20-2:2070 44 LEU MDY 2.60 (# 2070:20 Single Ambig)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 48, 49, 48, 49, 42, 43,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 6 GLN HN 45 LEU HG 6.00 (# 2071:20 Unique 2.63, 3.27 A)
&rst
ixpk= 2071, nxpk= 20, iat= 98, 728, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HN 45 LEU HG 2.80 (# 2072:20 Unique 2.70, 3.28 A)
&rst
ixpk= 2072, nxpk= 20, iat= 721, 728, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2073 45 LEU HG 6.00 (# 2073:20 Single Ambig)
&rst
ixpk= 2073, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 740, 60,
&end
#
# 44 LEU HA 45 LEU HG 6.00 (# 2074:20 Unique 3.85, 4.62 A)
&rst
ixpk= 2074, nxpk= 20, iat= 704, 728, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HA 45 LEU HG 6.00 (# 2075:20 Unique 3.41, 3.53 A)
&rst
ixpk= 2075, nxpk= 20, iat= 723, 728, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 GLN HB+ 45 LEU HG 6.00 (# 2076:20 Unique 2.15, 3.10 A)
&rst
ixpk= 2076, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 0 AMB 20-2:2077 45 LEU HG 6.00 (# 2077:20 Single Ambig)
&rst
ixpk= 2077, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 64, 105, 106,
&end
#
# 45 LEU MDY 45 LEU HG 2.20 (# 2078:20 Unique 2.22, 2.65 A)
&rst
ixpk= 2078, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 730, 731, 732, 734, 735, 736,
&end
#
# 4 VAL MGY 45 LEU HG 6.00 (# 2079:20 Unique 3.15, 5.30 A)
&rst
ixpk= 2079, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 45 LEU MDX 45 LEU HG 2.20 (# 2080:20 Unique 2.22, 2.65 A)
&rst
ixpk= 2080, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HN 45 LEU MDX 6.00 (# 2081:20 Unique 2.34, 4.53 A)
&rst
ixpk= 2081, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:2082 45 LEU MDX 3.50 (# 2082:20 Single Ambig)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 721, 76,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:2083 45 LEU MDX 3.50 (# 2083:20 Single Ambig)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 740, 60,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HE2+ 45 LEU MDX 6.00 (# 2084:20 Unique 3.22, 4.91 A)
&rst
ixpk= 2084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 110, 111,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HE2- 45 LEU MDX 3.50 (# 2085:20 Unique 3.22, 4.91 A)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 110, 111,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HA 45 LEU MDX 6.00 (# 2086:20 Unique 3.30, 5.18 A)
&rst
ixpk= 2086, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 44 LEU HA 45 LEU MDX 6.00 (# 2087:20 Unique 3.34, 5.77 A)
&rst
ixpk= 2087, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 45 LEU HA 45 LEU MDX 2.20 (# 2088:20 Unique 2.41, 3.76 A)
&rst
ixpk= 2088, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 43 THR HB 45 LEU MDX 3.50 (# 2089:20 Unique 3.32, 4.90 A)
&rst
ixpk= 2089, nxpk= 20, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:2090 45 LEU MDX 6.00 (# 2090:20 Single Ambig)
&rst
ixpk= 2090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 62, 742, 743, 742, 743,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 17 GLU HG+ 45 LEU MDX 3.50 (# 2091:20 Unique 2.24, 4.62 A)
&rst
ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 282, 283,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:2092 45 LEU MDX 3.50 (# 2092:20 Single Ambig)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 102, 103, 282, 283,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 4 VAL HB 45 LEU MDX 3.50 (# 2093:20 Unique 2.36, 4.79 A)
&rst
ixpk= 2093, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HB- 45 LEU MDX 2.60 (# 2094:20 Unique 2.13, 3.55 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 102, 103,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 45 LEU HB+ 45 LEU MDX 2.60 (# 2095:20 Unique 2.23, 3.36 A)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 725, 726,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:2096 45 LEU MDX 2.60 (# 2096:20 Single Ambig)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 728, 725, 726,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 43 THR MG2 45 LEU MDX 2.60 (# 2098:20 Unique 2.82, 5.74 A)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 694, 695, 696,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HN 45 LEU MDY 6.00 (# 2099:20 Unique 2.34, 4.53 A)
&rst
ixpk= 2099, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:2100 45 LEU MDY 3.50 (# 2100:20 Single Ambig)
&rst
ixpk= 2100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 721, 76,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:2101 45 LEU MDY 3.50 (# 2101:20 Single Ambig)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 740, 60,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HE2+ 45 LEU MDY 3.50 (# 2102:20 Unique 3.22, 4.91 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 110, 111,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HE2- 45 LEU MDY 3.50 (# 2104:20 Unique 3.22, 4.91 A)
&rst
ixpk= 2104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 110, 111,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 17 GLU HA 45 LEU MDY 6.00 (# 2105:20 Unique 4.17, 6.07 A)
&rst
ixpk= 2105, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HA 45 LEU MDY 6.00 (# 2106:20 Unique 3.30, 5.18 A)
&rst
ixpk= 2106, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 44 LEU HA 45 LEU MDY 6.00 (# 2107:20 Unique 3.34, 5.77 A)
&rst
ixpk= 2107, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 45 LEU HA 45 LEU MDY 3.50 (# 2108:20 Unique 2.41, 3.76 A)
&rst
ixpk= 2108, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:2109 45 LEU MDY 6.00 (# 2109:20 Single Ambig)
&rst
ixpk= 2109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 62, 742, 743, 742, 743,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 43 THR HB 45 LEU MDY 6.00 (# 2110:20 Unique 3.32, 4.90 A)
&rst
ixpk= 2110, nxpk= 20, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 17 GLU HG+ 45 LEU MDY 3.50 (# 2111:20 Unique 2.24, 4.62 A)
&rst
ixpk= 2111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 282, 283,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:2112 45 LEU MDY 2.60 (# 2112:20 Single Ambig)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 102, 103, 282, 283,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HB- 45 LEU MDY 2.60 (# 2113:20 Unique 2.13, 3.55 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 102, 103,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 4 VAL HB 45 LEU MDY 3.50 (# 2114:20 Unique 2.36, 4.79 A)
&rst
ixpk= 2114, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:2115 45 LEU MDY 2.20 (# 2115:20 Single Ambig)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 728, 725, 726,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 45 LEU HB+ 45 LEU MDY 2.20 (# 2116:20 Unique 2.23, 3.36 A)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 725, 726,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 45 LEU HN 0 AMB 20-1:2117 6.00 (# 2117:20 Single Ambig)
&rst
ixpk= 2117, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 742, 743, 742, 743,
&end
#
# 0 AMB 20-2:2118 0 AMB 20-1:2118 2.20 (# 2118:20 Double Ambig)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 740, 2,
igr2= 742, 743, 742, 743, 742, 743,
&end
#
# 47 HIS HA 0 AMB 20-1:2120 6.00 (# 2120:20 Single Ambig)
&rst
ixpk= 2120, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 742, 743, 742, 743,
&end
#
# 45 LEU HA 0 AMB 20-1:2121 3.50 (# 2121:20 Single Ambig)
&rst
ixpk= 2121, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 742, 743, 742, 743,
&end
#
# 0 AMB 20-2:2122 0 AMB 20-1:2122 6.00 (# 2122:20 Double Ambig)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 51, 52, 51, 52, 51, 52,
igr2= 742, 743, 742, 743, 742, 743,
&end
#
# 0 AMB 20-2:2123 0 AMB 20-1:2123 3.50 (# 2123:20 Double Ambig)
&rst
ixpk= 2123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 42, 43, 48, 49, 48, 49, 48, 49,
igr2= 742, 743, 742, 743, 742, 743, 742, 743,
&end
#
# 0 AMB 20-2:2124 0 AMB 20-1:2124 3.50 (# 2124:20 Double Ambig)
&rst
ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1= 709, 725, 726, 725, 726, 706, 707, 706, 707, 706,
707,
igr2= 742, 743, 742, 743, 742, 743, 742, 743, 742, 743,
&end
#
# 0 AMB 20-2:2125 0 AMB 20-1:2125 3.50 (# 2125:20 Double Ambig)
&rst
ixpk= 2125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 725, 726, 728,
igr2= 742, 743, 742, 743, 742, 743,
&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= 9.52, r4=10.02,
igr1= 45, 46, 45, 46,
igr2= 742, 743, 742, 743,
&end
#
# 0 AMB 20-2:2127 0 AMB 20-1:2127 6.00 (# 2127:20 Double Ambig)
&rst
ixpk= 2127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 730, 731, 732, 734, 735, 736, 730, 731, 732, 734,
735, 736,
igr2= 742, 743, 742, 743, 742, 743,
&end
#
# 44 LEU MDX 0 AMB 20-1:2128 6.00 (# 2128:20 Single Ambig)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 711, 712, 713, 715, 716, 717,
igr2= 742, 743, 742, 743,
&end
#
# 2 ARG HN 1 ALA HN 6.00 (# 3:10 Unique 3.78, 5.19 A)
&rst
ixpk= 3, nxpk= 10, iat= 14, 2, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 1 ALA HA 1 ALA HN 4.30 (# 6:10 Unique 2.84, 4.87 A)
&rst
ixpk= 6, nxpk= 10, iat= 6, 2, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:8 1 ALA HN 4.30 (# 8:10 Single Ambig)
&rst
ixpk= 8, nxpk= 10, iat= -1, 2, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 48, 49, 48, 49,
&end
#
# 0 AMB 10-2:9 1 ALA HN 2.20 (# 9:10 Single Ambig)
&rst
ixpk= 9, nxpk= 10, iat= -1, 2, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 45, 46, 8, 9, 10,
&end
#
# 1 ALA HN 2 ARG HN 6.00 (# 10:10 Unique 3.78, 5.19 A)
&rst
ixpk= 10, nxpk= 10, iat= 2, 14, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 1 ALA HA 2 ARG HN 2.20 (# 11:10 Unique 2.25, 2.27 A)
&rst
ixpk= 11, nxpk= 10, iat= 6, 14, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 0 AMB 10-2:13 2 ARG HN 4.30 (# 13:10 Single Ambig)
&rst
ixpk= 13, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 24, 25, 24, 25,
&end
#
# 0 AMB 10-2:14 2 ARG HN 6.00 (# 14:10 Single Ambig)
&rst
ixpk= 14, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 51, 52, 51, 52,
&end
#
# 1 ALA MB 2 ARG HN 2.60 (# 15:10 Unique 2.27, 3.18 A)
&rst
ixpk= 15, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 8, 9, 10,
&end
#
# 2 ARG HB+ 2 ARG HN 4.30 (# 16:10 Unique 1.98, 2.90 A)
&rst
ixpk= 16, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 18, 19,
&end
#
# 2 ARG HB- 2 ARG HN 4.30 (# 17:10 Unique 1.98, 2.90 A)
&rst
ixpk= 17, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 18, 19,
&end
#
# 2 ARG HG- 2 ARG HN 4.30 (# 18:10 Unique 2.39, 3.59 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 21, 22,
&end
#
# 0 AMB 10-2:20 3 LYS HN 4.30 (# 20:10 Single Ambig)
&rst
ixpk= 20, nxpk= 10, iat= 60, 38, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 3 LYS HA 3 LYS HN 4.30 (# 22:10 Unique 2.77, 2.88 A)
&rst
ixpk= 22, nxpk= 10, iat= 40, 38, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 2 ARG HA 3 LYS HN 2.60 (# 23:10 Unique 2.25, 2.54 A)
&rst
ixpk= 23, nxpk= 10, iat= 16, 38, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:24 3 LYS HN 6.00 (# 24:10 Single Ambig)
&rst
ixpk= 24, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 51, 52, 51, 52,
&end
#
# 0 AMB 10-2:25 3 LYS HN 4.50 (# 25:10 Single Ambig)
&rst
ixpk= 25, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 24, 25, 24, 25,
&end
#
# 0 AMB 10-2:26 3 LYS HN 6.00 (# 26:10 Single Ambig)
&rst
ixpk= 26, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 711, 712, 713, 715, 716, 717, 66, 67, 68, 70,
71, 72,
&end
#
# 0 AMB 10-2:27 3 LYS HN 2.60 (# 27:10 Single Ambig)
&rst
ixpk= 27, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 45, 46, 8, 9, 10,
&end
#
# 3 LYS HG- 3 LYS HN 2.60 (# 28:10 Unique 2.57, 3.26 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 45, 46,
&end
#
# 0 AMB 10-2:29 3 LYS HN 2.60 (# 29:10 Single Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 48, 49, 48, 49, 42, 43,
&end
#
# 2 ARG HB+ 3 LYS HN 4.30 (# 30:10 Unique 2.75, 4.40 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 18, 19,
&end
#
# 0 AMB 10-2:31 3 LYS HN 2.60 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 42, 43,
&end
#
# 3 LYS HN 4 VAL HN 4.30 (# 32:10 Unique 4.35, 4.45 A)
&rst
ixpk= 32, nxpk= 10, iat= 38, 60, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 47 HIS HA 4 VAL HN 6.00 (# 33:10 Unique 4.24, 5.48 A)
&rst
ixpk= 33, nxpk= 10, iat= 749, 60, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 LYS HA 4 VAL HN 2.20 (# 35:10 Unique 2.04, 2.11 A)
&rst
ixpk= 35, nxpk= 10, iat= 40, 60, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 0 AMB 10-2:36 4 VAL HN 4.30 (# 36:10 Single Ambig)
&rst
ixpk= 36, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 62, 742, 743,
&end
#
# 0 AMB 10-2:37 4 VAL HN 5.00 (# 37:10 Single Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 51, 52, 317, 318, 317, 318,
&end
#
# 4 VAL HB 4 VAL HN 2.60 (# 38:10 Unique 2.54, 2.61 A)
&rst
ixpk= 38, nxpk= 10, iat= 64, 60, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:39 4 VAL HN 4.30 (# 39:10 Single Ambig)
&rst
ixpk= 39, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 42, 43, 48, 49,
&end
#
# 0 AMB 10-2:40 4 VAL HN 4.30 (# 40:10 Single Ambig)
&rst
ixpk= 40, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 45, 46, 728,
&end
#
# 0 AMB 10-2:41 4 VAL HN 4.30 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 45, 46, 80, 81,
&end
#
# 4 VAL MGX 4 VAL HN 4.30 (# 42:10 Unique 1.90, 3.82 A)
&rst
ixpk= 42, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL MGY 4 VAL HN 2.20 (# 43:10 Unique 1.90, 3.82 A)
&rst
ixpk= 43, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 3 LYS HB+ 4 VAL HN 4.30 (# 44:10 Unique 2.32, 3.52 A)
&rst
ixpk= 44, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 42, 43,
&end
#
# 5 LYS HG- 4 VAL HN 6.00 (# 45:10 Unique 5.86, 6.69 A)
&rst
ixpk= 45, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 18 THR HN 5 LYS HN 4.30 (# 46:10 Unique 2.91, 3.03 A)
&rst
ixpk= 46, nxpk= 10, iat= 290, 76, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 6 GLN HN 5 LYS HN 4.30 (# 47:10 Unique 4.32, 4.35 A)
&rst
ixpk= 47, nxpk= 10, iat= 98, 76, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 4 VAL HN 5 LYS HN 6.00 (# 48:10 Unique 4.53, 4.62 A)
&rst
ixpk= 48, nxpk= 10, iat= 60, 76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HE 5 LYS HN 6.00 (# 49:10 Unique 3.97, 5.97 A)
&rst
ixpk= 49, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 17 GLU HA 5 LYS HN 6.00 (# 50:10 Unique 4.41, 4.53 A)
&rst
ixpk= 50, nxpk= 10, iat= 277, 76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 VAL HA 5 LYS HN 2.60 (# 52:10 Unique 2.12, 2.19 A)
&rst
ixpk= 52, nxpk= 10, iat= 62, 76, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:53 5 LYS HN 6.00 (# 53:10 Single Ambig)
&rst
ixpk= 53, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 89, 90, 89, 90,
&end
#
# 0 AMB 10-2:54 5 LYS HN 6.00 (# 54:10 Single Ambig)
&rst
ixpk= 54, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 282, 283, 102, 103,
&end
#
# 4 VAL HB 5 LYS HN 4.30 (# 55:10 Unique 3.89, 4.00 A)
&rst
ixpk= 55, nxpk= 10, iat= 64, 76, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 5 LYS HB+ 5 LYS HN 4.30 (# 56:10 Unique 2.41, 3.02 A)
&rst
ixpk= 56, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 80, 81,
&end
#
# 0 AMB 10-2:57 5 LYS HN 4.30 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 86, 87, 709,
&end
#
# 5 LYS HB- 5 LYS HN 2.60 (# 58:10 Unique 2.41, 3.02 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 80, 81,
&end
#
# 0 AMB 10-2:60 5 LYS HN 4.30 (# 60:10 Single Ambig)
&rst
ixpk= 60, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 83, 84, 296, 297, 298,
&end
#
# 4 VAL MGY 5 LYS HN 4.30 (# 61:10 Unique 2.57, 4.13 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL MGX 5 LYS HN 2.60 (# 62:10 Unique 2.57, 4.13 A)
&rst
ixpk= 62, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 7 TYR HN 6 GLN HN 4.30 (# 63:10 Unique 4.38, 4.43 A)
&rst
ixpk= 63, nxpk= 10, iat= 115, 98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:64 6 GLN HN 4.30 (# 64:10 Single Ambig)
&rst
ixpk= 64, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 721, 76,
&end
#
# 7 TYR HD 6 GLN HN 6.00 (# 65:10 Unique 4.79, 6.00 A)
&rst
ixpk= 65, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 132,
&end
#
# 6 GLN HA 6 GLN HN 4.30 (# 66:10 Unique 2.94, 2.95 A)
&rst
ixpk= 66, nxpk= 10, iat= 100, 98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 44 LEU HA 6 GLN HN 4.30 (# 67:10 Unique 3.63, 3.92 A)
&rst
ixpk= 67, nxpk= 10, iat= 704, 98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 43 THR HA 6 GLN HN 6.00 (# 68:10 Unique)
&rst
ixpk= 68, nxpk= 10, iat= 690, 98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 THR HB 6 GLN HN 6.00 (# 69:10 Unique 2.73, 2.88 A)
&rst
ixpk= 69, nxpk= 10, iat= 692, 98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 VAL HA 6 GLN HN 6.00 (# 70:10 Unique 5.82, 5.93 A)
&rst
ixpk= 70, nxpk= 10, iat= 62, 98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:71 6 GLN HN 4.30 (# 71:10 Single Ambig)
&rst
ixpk= 71, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 105, 106, 282, 283,
&end
#
# 6 GLN HB+ 6 GLN HN 2.60 (# 72:10 Unique 2.19, 2.81 A)
&rst
ixpk= 72, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 102, 103,
&end
#
# 0 AMB 10-2:73 6 GLN HN 4.30 (# 73:10 Single Ambig)
&rst
ixpk= 73, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 105, 106, 64,
&end
#
# 6 GLN HB- 6 GLN HN 2.60 (# 74:10 Unique 2.19, 2.81 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 102, 103,
&end
#
# 5 LYS HB+ 6 GLN HN 4.30 (# 75:10 Unique 3.31, 3.94 A)
&rst
ixpk= 75, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 80, 81,
&end
#
# 45 LEU HG 6 GLN HN 4.30 (# 76:10 Unique 2.63, 3.27 A)
&rst
ixpk= 76, nxpk= 10, iat= 728, 98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 5 LYS HB- 6 GLN HN 4.30 (# 77:10 Unique 3.31, 3.94 A)
&rst
ixpk= 77, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 80, 81,
&end
#
# 43 THR MG2 6 GLN HN 4.30 (# 78:10 Unique 4.34, 5.10 A)
&rst
ixpk= 78, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 694, 695, 696,
&end
#
# 5 LYS HG- 6 GLN HN 4.30 (# 79:10 Unique 3.54, 4.10 A)
&rst
ixpk= 79, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 83, 84,
&end
#
# 0 AMB 10-2:80 6 GLN HN 3.50 (# 80:10 Single Ambig)
&rst
ixpk= 80, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 66, 67, 68, 70, 71, 72, 682, 683, 684,
&end
#
# 15 VAL HA 6 GLN HE2+ 6.00 (# 81:10 Unique 5.59, 6.23 A)
&rst
ixpk= 81, nxpk= 10, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 110, 111,
&end
#
# 6 GLN HA 6 GLN HE2- 6.00 (# 82:10 Unique 4.15, 5.06 A)
&rst
ixpk= 82, nxpk= 10, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 110, 111,
&end
#
# 0 AMB 10-2:84 0 AMB 10-1:84 6.00 (# 84:10 Double Ambig)
&rst
ixpk= 84, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 149, 150, 149, 150,
igr2= 110, 111, 110, 111,
&end
#
# 0 AMB 10-2:85 6 GLN HE2- 6.00 (# 85:10 Single Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 149, 150, 149, 150,
igr2= 110, 111,
&end
#
# 0 AMB 10-2:86 0 AMB 10-1:86 4.30 (# 86:10 Double Ambig)
&rst
ixpk= 86, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 105, 106, 282, 283,
igr2= 110, 111, 110, 111,
&end
#
# 0 AMB 10-2:87 6 GLN HE2- 4.30 (# 87:10 Single Ambig)
&rst
ixpk= 87, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 105, 106, 282, 283,
igr2= 110, 111,
&end
#
# 0 AMB 10-2:88 6 GLN HE2- 4.30 (# 88:10 Single Ambig)
&rst
ixpk= 88, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 102, 103, 282, 283,
igr2= 110, 111,
&end
#
# 0 AMB 10-2:89 0 AMB 10-1:89 4.30 (# 89:10 Double Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 102, 103, 282, 283,
igr2= 110, 111, 110, 111,
&end
#
# 6 GLN HG- 6 GLN HE2+ 4.30 (# 90:10 Unique 2.51, 3.49 A)
&rst
ixpk= 90, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 105, 106,
igr2= 110, 111,
&end
#
# 6 GLN HB- 6 GLN HE2+ 4.30 (# 91:10 Unique 2.47, 3.54 A)
&rst
ixpk= 91, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 102, 103,
igr2= 110, 111,
&end
#
# 6 GLN HB- 6 GLN HE2- 4.30 (# 92:10 Unique 2.47, 3.54 A)
&rst
ixpk= 92, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 102, 103,
igr2= 110, 111,
&end
#
# 6 GLN HG- 6 GLN HE2- 4.30 (# 93:10 Unique 2.51, 3.49 A)
&rst
ixpk= 93, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 105, 106,
igr2= 110, 111,
&end
#
# 0 AMB 10-2:94 6 GLN HE2- 6.00 (# 94:10 Single Ambig)
&rst
ixpk= 94, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 146, 147, 146, 147, 728, 725, 726,
igr2= 110, 111,
&end
#
# 0 AMB 10-2:95 0 AMB 10-1:95 6.00 (# 95:10 Double Ambig)
&rst
ixpk= 95, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 728, 260,
igr2= 110, 111, 110, 111,
&end
#
# 15 VAL MGX 6 GLN HE2+ 4.30 (# 96:10 Unique 2.57, 4.60 A)
&rst
ixpk= 96, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 110, 111,
&end
#
# 45 LEU MDY 6 GLN HE2+ 4.30 (# 97:10 Unique 3.22, 4.91 A)
&rst
ixpk= 97, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 730, 731, 732, 734, 735, 736,
igr2= 110, 111,
&end
#
# 15 VAL MGX 6 GLN HE2- 4.30 (# 98:10 Unique 2.57, 4.60 A)
&rst
ixpk= 98, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 110, 111,
&end
#
# 45 LEU MDY 6 GLN HE2- 4.30 (# 99:10 Unique 3.22, 4.91 A)
&rst
ixpk= 99, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 730, 731, 732, 734, 735, 736,
igr2= 110, 111,
&end
#
# 16 ILE HN 7 TYR HN 4.30 (# 100:10 Unique 2.70, 2.76 A)
&rst
ixpk= 100, nxpk= 10, iat= 256, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 8 LYS HN 7 TYR HN 6.00 (# 101:10 Unique 4.21, 4.30 A)
&rst
ixpk= 101, nxpk= 10, iat= 136, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HD 7 TYR HN 4.30 (# 102:10 Unique 2.67, 4.15 A)
&rst
ixpk= 102, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 123, 132,
&end
#
# 7 TYR HE 7 TYR HN 6.00 (# 103:10 Unique 5.00, 6.10 A)
&rst
ixpk= 103, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 7 TYR HA 7 TYR HN 4.30 (# 104:10 Unique 2.99, 3.00 A)
&rst
ixpk= 104, nxpk= 10, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 6 GLN HA 7 TYR HN 2.60 (# 105:10 Unique 2.15, 2.22 A)
&rst
ixpk= 105, nxpk= 10, iat= 100, 115, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 7 TYR HB+ 7 TYR HN 4.30 (# 106:10 Unique 2.48, 3.19 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 119, 120,
&end
#
# 7 TYR HB- 7 TYR HN 4.30 (# 107:10 Unique 2.48, 3.19 A)
&rst
ixpk= 107, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 119, 120,
&end
#
# 6 GLN HG+ 7 TYR HN 4.30 (# 108:10 Unique 2.47, 3.06 A)
&rst
ixpk= 108, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 105, 106,
&end
#
# 0 AMB 10-2:109 7 TYR HN 4.30 (# 109:10 Single Ambig)
&rst
ixpk= 109, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 102, 103, 282, 283,
&end
#
# 6 GLN HB- 7 TYR HN 4.30 (# 110:10 Unique 3.54, 3.94 A)
&rst
ixpk= 110, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 102, 103,
&end
#
# 6 GLN HG- 7 TYR HN 4.30 (# 111:10 Unique 2.47, 3.06 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 105, 106,
&end
#
# 0 AMB 10-2:112 7 TYR HN 6.00 (# 112:10 Single Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 260, 728,
&end
#
# 16 ILE HG1- 7 TYR HN 4.30 (# 113:10 Unique 3.55, 4.40 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 266, 267,
&end
#
# 0 AMB 10-2:114 7 TYR HN 6.00 (# 114:10 Single Ambig)
&rst
ixpk= 114, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 296, 297, 298, 83, 84,
&end
#
# 15 VAL MGX 7 TYR HN 4.30 (# 115:10 Unique 3.54, 5.47 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 16 ILE MG2 7 TYR HN 6.00 (# 116:10 Unique 5.39, 5.75 A)
&rst
ixpk= 116, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 262, 263, 264,
&end
#
# 16 ILE MD1 7 TYR HN 6.00 (# 117:10 Unique 4.53, 5.44 A)
&rst
ixpk= 117, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 0 AMB 10-2:118 7 TYR HN 4.30 (# 118:10 Single Ambig)
&rst
ixpk= 118, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 277, 242,
&end
#
# 6 GLN HN 7 TYR HN 6.00 (# 119:10 Unique 4.38, 4.43 A)
&rst
ixpk= 119, nxpk= 10, iat= 98, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 THR HN 7 TYR HN 6.00 (# 120:10 Unique 4.62, 4.86 A)
&rst
ixpk= 120, nxpk= 10, iat= 290, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HN 8 LYS HN 6.00 (# 121:10 Unique 4.21, 4.30 A)
&rst
ixpk= 121, nxpk= 10, iat= 115, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ILE HN 8 LYS HN 6.00 (# 122:10 Unique 5.03, 5.06 A)
&rst
ixpk= 122, nxpk= 10, iat= 256, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 THR HN 8 LYS HN 6.00 (# 123:10 Unique 4.93, 5.04 A)
&rst
ixpk= 123, nxpk= 10, iat= 688, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ASN HN 8 LYS HN 6.00 (# 124:10 Unique 4.16, 4.33 A)
&rst
ixpk= 124, nxpk= 10, iat= 158, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TRP HN 8 LYS HN 6.00 (# 125:10 Unique 5.63, 5.77 A)
&rst
ixpk= 125, nxpk= 10, iat= 654, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ALA HN 8 LYS HN 6.00 (# 127:10 Unique 4.93, 5.11 A)
&rst
ixpk= 127, nxpk= 10, iat= 678, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HD 8 LYS HN 4.30 (# 128:10 Unique 4.27, 5.18 A)
&rst
ixpk= 128, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 123, 132,
&end
#
# 15 VAL HA 8 LYS HN 6.00 (# 129:10 Unique 4.80, 4.84 A)
&rst
ixpk= 129, nxpk= 10, iat= 242, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LYS HA 8 LYS HN 4.30 (# 130:10 Unique 3.01, 3.02 A)
&rst
ixpk= 130, nxpk= 10, iat= 138, 136, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 TRP HB+ 8 LYS HN 4.30 (# 131:10 Unique 2.86, 3.34 A)
&rst
ixpk= 131, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 658, 659,
&end
#
# 41 TRP HB- 8 LYS HN 4.30 (# 132:10 Unique 2.86, 3.34 A)
&rst
ixpk= 132, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 658, 659,
&end
#
# 0 AMB 10-2:133 8 LYS HN 4.30 (# 133:10 Single Ambig)
&rst
ixpk= 133, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 119, 120, 160,
&end
#
# 7 TYR HB- 8 LYS HN 4.30 (# 134:10 Unique 3.30, 3.89 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 119, 120,
&end
#
# 0 AMB 10-2:135 8 LYS HN 6.00 (# 135:10 Single Ambig)
&rst
ixpk= 135, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 149, 150, 149, 150,
&end
#
# 0 AMB 10-2:136 8 LYS HN 6.00 (# 136:10 Single Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 105, 106, 614,
&end
#
# 8 LYS HB+ 8 LYS HN 4.30 (# 137:10 Unique 2.59, 2.87 A)
&rst
ixpk= 137, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 140, 141,
&end
#
# 0 AMB 10-2:138 8 LYS HN 4.30 (# 138:10 Single Ambig)
&rst
ixpk= 138, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 146, 147, 146, 147, 260,
&end
#
# 0 AMB 10-2:140 8 LYS HN 4.30 (# 140:10 Single Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 143, 144, 176, 177,
&end
#
# 0 AMB 10-2:141 8 LYS HN 4.30 (# 141:10 Single Ambig)
&rst
ixpk= 141, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 143, 144, 246, 247, 248, 250, 251, 252, 162, 163,
&end
#
# 0 AMB 10-2:142 8 LYS HN 4.30 (# 142:10 Single Ambig)
&rst
ixpk= 142, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 246, 247, 248, 250, 251, 252, 266, 267,
&end
#
# 8 LYS HB- 8 LYS HN 4.30 (# 143:10 Unique 2.59, 2.87 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 140, 141,
&end
#
# 7 TYR HA 8 LYS HN 2.60 (# 144:10 Unique 2.16, 2.19 A)
&rst
ixpk= 144, nxpk= 10, iat= 117, 136, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 16 ILE HN 9 ASN HN 6.00 (# 145:10 Unique 5.15, 5.34 A)
&rst
ixpk= 145, nxpk= 10, iat= 256, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HN 9 ASN HN 6.00 (# 146:10 Unique 5.00, 5.05 A)
&rst
ixpk= 146, nxpk= 10, iat= 240, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LYS HN 9 ASN HN 6.00 (# 147:10 Unique 4.16, 4.33 A)
&rst
ixpk= 147, nxpk= 10, iat= 136, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:148 9 ASN HN 4.30 (# 148:10 Single Ambig)
&rst
ixpk= 148, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 225, 673, 186,
&end
#
# 29 TRP HZ2 9 ASN HN 6.00 (# 149:10 Unique 3.78, 3.96 A)
&rst
ixpk= 149, nxpk= 10, iat= 477, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HH2 9 ASN HN 4.30 (# 150:10 Unique 2.45, 2.65 A)
&rst
ixpk= 150, nxpk= 10, iat= 479, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 12 THR HN 9 ASN HN 6.00 (# 151:10 Unique 5.08, 5.16 A)
&rst
ixpk= 151, nxpk= 10, iat= 204, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HA 9 ASN HN 4.30 (# 152:10 Unique 3.38, 3.50 A)
&rst
ixpk= 152, nxpk= 10, iat= 242, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 8 LYS HA 9 ASN HN 2.60 (# 153:10 Unique 2.12, 2.16 A)
&rst
ixpk= 153, nxpk= 10, iat= 138, 158, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 9 ASN HA 9 ASN HN 4.30 (# 154:10 Unique 2.91, 2.95 A)
&rst
ixpk= 154, nxpk= 10, iat= 160, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:155 9 ASN HN 6.00 (# 155:10 Single Ambig)
&rst
ixpk= 155, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 149, 150, 149, 150,
&end
#
# 9 ASN HB+ 9 ASN HN 4.30 (# 156:10 Unique 2.43, 2.57 A)
&rst
ixpk= 156, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 162, 163,
&end
#
# 14 GLU HB- 9 ASN HN 6.00 (# 157:10 Unique 3.80, 4.46 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 229, 230,
&end
#
# 0 AMB 10-2:158 9 ASN HN 6.00 (# 158:10 Single Ambig)
&rst
ixpk= 158, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 244, 105, 106, 614,
&end
#
# 8 LYS HB+ 9 ASN HN 4.30 (# 159:10 Unique 4.11, 4.34 A)
&rst
ixpk= 159, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 140, 141,
&end
#
# 0 AMB 10-2:160 9 ASN HN 4.30 (# 160:10 Single Ambig)
&rst
ixpk= 160, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 140, 141, 179, 180,
&end
#
# 8 LYS HG+ 9 ASN HN 4.30 (# 161:10 Unique 2.49, 3.39 A)
&rst
ixpk= 161, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 143, 144,
&end
#
# 0 AMB 10-2:162 9 ASN HN 3.50 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 246, 247, 248, 250, 251, 252, 246, 247, 248, 250,
251, 252,
&end
#
# 10 PRO HD- 9 ASN HN 6.00 (# 163:10 Unique 4.19, 4.71 A)
&rst
ixpk= 163, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 173, 174,
&end
#
# 0 AMB 10-2:165 9 ASN HN 2.60 (# 165:10 Single Ambig)
&rst
ixpk= 165, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 162, 163, 143, 144,
&end
#
# 14 GLU HB+ 9 ASN HN 6.00 (# 166:10 Unique 3.80, 4.46 A)
&rst
ixpk= 166, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 229, 230,
&end
#
# 0 AMB 10-2:167 0 AMB 10-1:167 4.30 (# 167:10 Double Ambig)
&rst
ixpk= 167, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 218, 561,
igr2= 186, 520,
&end
#
# 0 AMB 10-2:169 0 AMB 10-1:169 6.00 (# 169:10 Double Ambig)
&rst
ixpk= 169, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 557, 479,
&end
#
# 12 THR HN 11 HIS HN 4.30 (# 170:10 Unique 2.48, 2.55 A)
&rst
ixpk= 170, nxpk= 10, iat= 204, 186, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 11 HIS HA 11 HIS HN 4.30 (# 173:10 Unique 2.92, 2.94 A)
&rst
ixpk= 173, nxpk= 10, iat= 188, 186, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 10 PRO HA 11 HIS HN 6.00 (# 174:10 Unique 3.48, 3.51 A)
&rst
ixpk= 174, nxpk= 10, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ASN HA 11 HIS HN 6.00 (# 175:10 Unique 3.61, 3.69 A)
&rst
ixpk= 175, nxpk= 10, iat= 160, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 HIS HB+ 11 HIS HN 4.30 (# 176:10 Unique 2.36, 3.02 A)
&rst
ixpk= 176, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 190, 191,
&end
#
# 11 HIS HB- 11 HIS HN 4.30 (# 177:10 Unique 2.36, 3.02 A)
&rst
ixpk= 177, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 190, 191,
&end
#
# 0 AMB 10-2:178 0 AMB 10-1:178 6.00 (# 178:10 Double Ambig)
&rst
ixpk= 178, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 533, 534, 162, 163, 453, 454,
igr2= 520, 186,
&end
#
# 10 PRO HD+ 11 HIS HN 6.00 (# 179:10 Unique 2.74, 3.68 A)
&rst
ixpk= 179, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 173, 174,
&end
#
# 10 PRO HG- 11 HIS HN 6.00 (# 180:10 Unique 2.89, 3.96 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 176, 177,
&end
#
# 32 LYS HG- 32 LYS HN 6.00 (# 181:10 Unique 2.40, 3.06 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 527, 528,
&end
#
# 13 GLY HN 12 THR HN 2.60 (# 182:10 Unique 1.87, 1.89 A)
&rst
ixpk= 182, nxpk= 10, iat= 218, 204, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:183 12 THR HN 2.60 (# 183:10 Single Ambig)
&rst
ixpk= 183, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 186, 225,
&end
#
# 12 THR HA 12 THR HN 4.30 (# 185:10 Unique 3.01, 3.02 A)
&rst
ixpk= 185, nxpk= 10, iat= 206, 204, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 11 HIS HA 12 THR HN 4.30 (# 186:10 Unique 3.43, 3.45 A)
&rst
ixpk= 186, nxpk= 10, iat= 188, 204, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 13 GLY HA+ 12 THR HN 6.00 (# 187:10 Unique 4.08, 4.39 A)
&rst
ixpk= 187, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 220, 221,
&end
#
# 10 PRO HA 12 THR HN 6.00 (# 188:10 Unique 3.94, 4.05 A)
&rst
ixpk= 188, nxpk= 10, iat= 182, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 GLY HA- 12 THR HN 6.00 (# 189:10 Unique 4.08, 4.39 A)
&rst
ixpk= 189, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 220, 221,
&end
#
# 9 ASN HA 12 THR HN 6.00 (# 190:10 Unique 4.65, 4.74 A)
&rst
ixpk= 190, nxpk= 10, iat= 160, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 HIS HB+ 12 THR HN 4.30 (# 191:10 Unique 3.15, 3.72 A)
&rst
ixpk= 191, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 190, 191,
&end
#
# 11 HIS HB- 12 THR HN 4.30 (# 192:10 Unique 3.15, 3.72 A)
&rst
ixpk= 192, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 190, 191,
&end
#
# 9 ASN HB+ 12 THR HN 6.00 (# 193:10 Unique 3.29, 4.11 A)
&rst
ixpk= 193, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 162, 163,
&end
#
# 12 THR MG2 12 THR HN 2.60 (# 194:10 Unique 2.67, 3.51 A)
&rst
ixpk= 194, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 210, 211, 212,
&end
#
# 9 ASN HB- 12 THR HN 6.00 (# 195:10 Unique 3.29, 4.11 A)
&rst
ixpk= 195, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 162, 163,
&end
#
# 14 GLU HN 13 GLY HN 4.30 (# 196:10 Unique 2.32, 2.36 A)
&rst
ixpk= 196, nxpk= 10, iat= 225, 218, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 12 THR HN 13 GLY HN 4.30 (# 197:10 Unique 1.87, 1.89 A)
&rst
ixpk= 197, nxpk= 10, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 12 THR HA 13 GLY HN 6.00 (# 198:10 Unique 3.49, 3.50 A)
&rst
ixpk= 198, nxpk= 10, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 GLY HA+ 13 GLY HN 4.30 (# 199:10 Unique 2.38, 2.69 A)
&rst
ixpk= 199, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 220, 221,
&end
#
# 13 GLY HA- 13 GLY HN 4.30 (# 200:10 Unique 2.38, 2.69 A)
&rst
ixpk= 200, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 220, 221,
&end
#
# 0 AMB 10-2:201 13 GLY HN 6.00 (# 201:10 Single Ambig)
&rst
ixpk= 201, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 149, 150, 149, 150,
&end
#
# 0 AMB 10-2:203 13 GLY HN 4.30 (# 203:10 Single Ambig)
&rst
ixpk= 203, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 210, 211, 212,
&end
#
# 15 VAL MGY 13 GLY HN 6.00 (# 204:10 Unique 6.05, 8.00 A)
&rst
ixpk= 204, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 10-2:205 13 GLY HN 6.00 (# 205:10 Single Ambig)
&rst
ixpk= 205, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 162, 163, 143, 144,
&end
#
# 9 ASN HN 14 GLU HN 6.00 (# 206:10 Unique 3.71, 3.87 A)
&rst
ixpk= 206, nxpk= 10, iat= 158, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HN 14 GLU HN 4.30 (# 207:10 Unique 4.60, 4.62 A)
&rst
ixpk= 207, nxpk= 10, iat= 240, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 13 GLY HN 14 GLU HN 4.30 (# 208:10 Unique 2.32, 2.36 A)
&rst
ixpk= 208, nxpk= 10, iat= 218, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 29 TRP HZ2 14 GLU HN 4.30 (# 209:10 Unique 4.13, 4.30 A)
&rst
ixpk= 209, nxpk= 10, iat= 477, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 29 TRP HH2 14 GLU HN 6.00 (# 210:10 Unique 4.90, 5.09 A)
&rst
ixpk= 210, nxpk= 10, iat= 479, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HN 14 GLU HN 6.00 (# 211:10 Unique 3.72, 3.76 A)
&rst
ixpk= 211, nxpk= 10, iat= 204, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HA 14 GLU HN 6.00 (# 212:10 Unique 4.32, 4.43 A)
&rst
ixpk= 212, nxpk= 10, iat= 206, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HA 14 GLU HN 4.30 (# 213:10 Unique 2.91, 2.93 A)
&rst
ixpk= 213, nxpk= 10, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 13 GLY HA- 14 GLU HN 4.30 (# 214:10 Unique 3.21, 3.34 A)
&rst
ixpk= 214, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 220, 221,
&end
#
# 14 GLU HB+ 14 GLU HN 2.60 (# 215:10 Unique 2.29, 2.96 A)
&rst
ixpk= 215, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 229, 230,
&end
#
# 0 AMB 10-2:216 14 GLU HN 2.60 (# 216:10 Single Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 232, 233, 232, 233,
&end
#
# 14 GLU HB- 14 GLU HN 4.30 (# 217:10 Unique 2.29, 2.96 A)
&rst
ixpk= 217, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 229, 230,
&end
#
# 0 AMB 10-2:218 14 GLU HN 4.30 (# 218:10 Single Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 210, 211, 212, 143, 144,
&end
#
# 9 ASN HB- 14 GLU HN 4.30 (# 219:10 Unique 2.68, 3.73 A)
&rst
ixpk= 219, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 162, 163,
&end
#
# 0 AMB 10-2:220 14 GLU HN 4.30 (# 220:10 Single Ambig)
&rst
ixpk= 220, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 246, 247, 248, 250, 251, 252, 266, 267,
&end
#
# 13 GLY HA+ 14 GLU HN 4.30 (# 221:10 Unique 3.21, 3.34 A)
&rst
ixpk= 221, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 220, 221,
&end
#
# 12 THR HB 14 GLU HN 6.00 (# 222:10 Unique 3.21, 3.36 A)
&rst
ixpk= 222, nxpk= 10, iat= 208, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ILE HN 15 VAL HN 4.30 (# 223:10 Unique 4.35, 4.37 A)
&rst
ixpk= 223, nxpk= 10, iat= 256, 240, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 ASN HN 15 VAL HN 6.00 (# 224:10 Unique 5.00, 5.05 A)
&rst
ixpk= 224, nxpk= 10, iat= 158, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HN 15 VAL HN 4.30 (# 225:10 Unique 4.60, 4.62 A)
&rst
ixpk= 225, nxpk= 10, iat= 225, 240, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 29 TRP HZ2 15 VAL HN 6.00 (# 226:10 Unique 3.89, 4.04 A)
&rst
ixpk= 226, nxpk= 10, iat= 477, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HH2 15 VAL HN 6.00 (# 227:10 Unique 4.09, 4.23 A)
&rst
ixpk= 227, nxpk= 10, iat= 479, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HA 15 VAL HN 4.30 (# 228:10 Unique 2.95, 2.96 A)
&rst
ixpk= 228, nxpk= 10, iat= 242, 240, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 8 LYS HA 15 VAL HN 6.00 (# 229:10 Unique 4.83, 4.89 A)
&rst
ixpk= 229, nxpk= 10, iat= 138, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HA 15 VAL HN 2.20 (# 230:10 Unique 2.22, 2.24 A)
&rst
ixpk= 230, nxpk= 10, iat= 227, 240, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 14 GLU HB+ 15 VAL HN 4.30 (# 231:10 Unique 2.68, 3.37 A)
&rst
ixpk= 231, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 229, 230,
&end
#
# 0 AMB 10-2:232 15 VAL HN 3.50 (# 232:10 Single Ambig)
&rst
ixpk= 232, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 232, 233, 232, 233,
&end
#
# 14 GLU HB- 15 VAL HN 4.30 (# 233:10 Unique 2.68, 3.37 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 229, 230,
&end
#
# 15 VAL HB 15 VAL HN 2.60 (# 234:10 Unique 2.67, 2.68 A)
&rst
ixpk= 234, nxpk= 10, iat= 244, 240, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:235 15 VAL HN 6.00 (# 235:10 Single Ambig)
&rst
ixpk= 235, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 146, 147, 146, 147, 260,
&end
#
# 8 LYS HG+ 15 VAL HN 6.00 (# 236:10 Unique 5.11, 6.22 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 143, 144,
&end
#
# 15 VAL MGX 15 VAL HN 4.30 (# 237:10 Unique 2.75, 4.17 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 10-2:238 15 VAL HN 6.00 (# 238:10 Single Ambig)
&rst
ixpk= 238, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 400, 401, 402, 262, 263, 264,
&end
#
# 7 TYR HN 16 ILE HN 4.30 (# 239:10 Unique 2.70, 2.76 A)
&rst
ixpk= 239, nxpk= 10, iat= 115, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 ASN HN 16 ILE HN 6.00 (# 240:10 Unique 5.15, 5.34 A)
&rst
ixpk= 240, nxpk= 10, iat= 158, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 GLU HN 16 ILE HN 4.30 (# 241:10 Unique 4.33, 4.33 A)
&rst
ixpk= 241, nxpk= 10, iat= 275, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 15 VAL HN 16 ILE HN 6.00 (# 242:10 Unique 4.35, 4.37 A)
&rst
ixpk= 242, nxpk= 10, iat= 240, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HH2 16 ILE HN 4.30 (# 243:10 Unique 3.34, 3.42 A)
&rst
ixpk= 243, nxpk= 10, iat= 479, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 15 VAL HA 16 ILE HN 2.60 (# 244:10 Unique 2.19, 2.21 A)
&rst
ixpk= 244, nxpk= 10, iat= 242, 256, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 8 LYS HA 16 ILE HN 4.30 (# 245:10 Unique 3.73, 3.78 A)
&rst
ixpk= 245, nxpk= 10, iat= 138, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HB+ 16 ILE HN 6.00 (# 247:10 Unique 3.49, 4.15 A)
&rst
ixpk= 247, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 7 TYR HB- 16 ILE HN 6.00 (# 248:10 Unique 3.49, 4.15 A)
&rst
ixpk= 248, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 0 AMB 10-2:249 16 ILE HN 6.00 (# 249:10 Single Ambig)
&rst
ixpk= 249, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 105, 106, 282, 283,
&end
#
# 0 AMB 10-2:250 16 ILE HN 6.00 (# 250:10 Single Ambig)
&rst
ixpk= 250, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 282, 283, 102, 103, 229, 230,
&end
#
# 0 AMB 10-2:251 16 ILE HN 4.30 (# 251:10 Single Ambig)
&rst
ixpk= 251, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 105, 106, 244,
&end
#
# 0 AMB 10-2:252 16 ILE HN 4.30 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 260, 146, 147,
&end
#
# 16 ILE HG1- 16 ILE HN 4.30 (# 253:10 Unique 2.52, 2.99 A)
&rst
ixpk= 253, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 266, 267,
&end
#
# 15 VAL MGX 16 ILE HN 2.20 (# 254:10 Unique 2.27, 3.82 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 10-2:255 16 ILE HN 4.30 (# 255:10 Single Ambig)
&rst
ixpk= 255, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 262, 263, 264, 400, 401, 402,
&end
#
# 16 ILE MD1 16 ILE HN 4.30 (# 256:10 Unique 4.66, 4.98 A)
&rst
ixpk= 256, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 269, 270, 271,
&end
#
# 0 AMB 10-2:257 16 ILE HN 2.60 (# 257:10 Single Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 246, 247, 248, 250, 251, 252, 266, 267,
&end
#
# 7 TYR HN 17 GLU HN 6.00 (# 258:10 Unique 4.40, 4.51 A)
&rst
ixpk= 258, nxpk= 10, iat= 115, 275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 THR HN 17 GLU HN 4.30 (# 259:10 Unique 4.10, 4.14 A)
&rst
ixpk= 259, nxpk= 10, iat= 290, 275, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 16 ILE HN 17 GLU HN 4.30 (# 260:10 Unique 4.33, 4.33 A)
&rst
ixpk= 260, nxpk= 10, iat= 256, 275, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 GLU HA 17 GLU HN 4.30 (# 262:10 Unique 2.93, 2.94 A)
&rst
ixpk= 262, nxpk= 10, iat= 277, 275, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 GLU HG+ 17 GLU HN 4.30 (# 263:10 Unique 3.67, 4.12 A)
&rst
ixpk= 263, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 282, 283,
&end
#
# 0 AMB 10-2:264 17 GLU HN 4.30 (# 264:10 Single Ambig)
&rst
ixpk= 264, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 282, 283, 102, 103,
&end
#
# 17 GLU HB+ 17 GLU HN 2.60 (# 265:10 Unique 2.68, 3.22 A)
&rst
ixpk= 265, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 279, 280,
&end
#
# 17 GLU HB- 17 GLU HN 2.60 (# 266:10 Unique 2.68, 3.22 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 279, 280,
&end
#
# 26 LEU HB+ 17 GLU HN 6.00 (# 267:10 Unique 5.41, 6.63 A)
&rst
ixpk= 267, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 412, 413,
&end
#
# 16 ILE HB 17 GLU HN 2.60 (# 268:10 Unique 2.66, 2.67 A)
&rst
ixpk= 268, nxpk= 10, iat= 260, 275, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 16 ILE HG1- 17 GLU HN 4.30 (# 269:10 Unique 4.71, 4.75 A)
&rst
ixpk= 269, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 266, 267,
&end
#
# 18 THR MG2 17 GLU HN 6.00 (# 270:10 Unique 3.28, 4.21 A)
&rst
ixpk= 270, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 296, 297, 298,
&end
#
# 15 VAL MGX 17 GLU HN 6.00 (# 271:10 Unique 5.17, 7.42 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 10-2:272 17 GLU HN 4.30 (# 272:10 Single Ambig)
&rst
ixpk= 272, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 266, 267, 246, 247, 248, 250, 251, 252, 66, 67,
68, 70, 71, 72,
&end
#
# 4 VAL MGX 17 GLU HN 6.00 (# 273:10 Unique 5.65, 7.30 A)
&rst
ixpk= 273, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 16 ILE MG2 17 GLU HN 4.30 (# 274:10 Unique 1.85, 2.90 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 262, 263, 264,
&end
#
# 16 ILE MD1 17 GLU HN 4.30 (# 275:10 Unique 4.91, 5.40 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 269, 270, 271,
&end
#
# 7 TYR HN 18 THR HN 6.00 (# 276:10 Unique 4.62, 4.86 A)
&rst
ixpk= 276, nxpk= 10, iat= 115, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 GLN HN 18 THR HN 6.00 (# 277:10 Unique 4.89, 4.95 A)
&rst
ixpk= 277, nxpk= 10, iat= 98, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 LYS HN 18 THR HN 4.30 (# 278:10 Unique 2.91, 3.03 A)
&rst
ixpk= 278, nxpk= 10, iat= 76, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 GLU HN 18 THR HN 4.30 (# 279:10 Unique 4.10, 4.14 A)
&rst
ixpk= 279, nxpk= 10, iat= 275, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HD 18 THR HN 6.00 (# 281:10 Unique 3.19, 5.42 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 132,
&end
#
# 7 TYR HE 18 THR HN 6.00 (# 282:10 Unique 3.22, 5.54 A)
&rst
ixpk= 282, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 6 GLN HA 18 THR HN 4.30 (# 283:10 Unique 3.51, 3.56 A)
&rst
ixpk= 283, nxpk= 10, iat= 100, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 18 THR HA 18 THR HN 4.30 (# 284:10 Unique 2.93, 2.95 A)
&rst
ixpk= 284, nxpk= 10, iat= 292, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 GLU HA 18 THR HN 2.20 (# 285:10 Unique 2.14, 2.16 A)
&rst
ixpk= 285, nxpk= 10, iat= 277, 290, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 18 THR HB 18 THR HN 4.30 (# 286:10 Unique 3.94, 3.98 A)
&rst
ixpk= 286, nxpk= 10, iat= 294, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 4 VAL HA 18 THR HN 6.00 (# 287:10 Unique 4.29, 4.40 A)
&rst
ixpk= 287, nxpk= 10, iat= 62, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 GLU HG+ 18 THR HN 4.30 (# 288:10 Unique 3.96, 4.44 A)
&rst
ixpk= 288, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 282, 283,
&end
#
# 0 AMB 10-2:289 18 THR HN 4.30 (# 289:10 Single Ambig)
&rst
ixpk= 289, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 282, 283, 102, 103,
&end
#
# 17 GLU HB- 18 THR HN 4.30 (# 290:10 Unique 3.29, 3.91 A)
&rst
ixpk= 290, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 279, 280,
&end
#
# 17 GLU HB+ 18 THR HN 4.30 (# 291:10 Unique 3.29, 3.91 A)
&rst
ixpk= 291, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 279, 280,
&end
#
# 0 AMB 10-2:292 18 THR HN 4.30 (# 292:10 Single Ambig)
&rst
ixpk= 292, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 80, 81,
&end
#
# 0 AMB 10-2:293 18 THR HN 6.00 (# 293:10 Single Ambig)
&rst
ixpk= 293, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 260, 728,
&end
#
# 5 LYS HB- 18 THR HN 6.00 (# 294:10 Unique 4.00, 4.30 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 80, 81,
&end
#
# 18 THR MG2 18 THR HN 2.60 (# 295:10 Unique 2.72, 3.49 A)
&rst
ixpk= 295, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 296, 297, 298,
&end
#
# 4 VAL MGY 18 THR HN 6.00 (# 296:10 Unique 2.79, 4.69 A)
&rst
ixpk= 296, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL MGX 18 THR HN 2.60 (# 297:10 Unique 2.79, 4.69 A)
&rst
ixpk= 297, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 16 ILE MG2 18 THR HN 6.00 (# 298:10 Unique 5.47, 6.12 A)
&rst
ixpk= 298, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 262, 263, 264,
&end
#
# 16 ILE MD1 18 THR HN 6.00 (# 299:10 Unique 6.10, 7.19 A)
&rst
ixpk= 299, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 18 THR HN 19 LYS HN 6.00 (# 300:10 Unique 4.43, 4.46 A)
&rst
ixpk= 300, nxpk= 10, iat= 290, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 GLY HN 19 LYS HN 4.30 (# 301:10 Unique 2.64, 2.84 A)
&rst
ixpk= 301, nxpk= 10, iat= 326, 304, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 18 THR HA 19 LYS HN 3.00 (# 302:10 Unique 2.48, 2.54 A)
&rst
ixpk= 302, nxpk= 10, iat= 292, 304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 THR HB 19 LYS HN 4.30 (# 304:10 Unique 2.59, 2.86 A)
&rst
ixpk= 304, nxpk= 10, iat= 294, 304, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:305 19 LYS HN 6.00 (# 305:10 Single Ambig)
&rst
ixpk= 305, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 317, 318, 317, 318,
&end
#
# 19 LYS HB+ 19 LYS HN 4.30 (# 306:10 Unique 2.41, 3.22 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 308, 309,
&end
#
# 0 AMB 10-2:307 19 LYS HN 6.00 (# 307:10 Single Ambig)
&rst
ixpk= 307, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 314, 315, 314, 315,
&end
#
# 19 LYS HB- 19 LYS HN 4.30 (# 308:10 Unique 2.41, 3.22 A)
&rst
ixpk= 308, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 308, 309,
&end
#
# 19 LYS HG+ 19 LYS HN 4.30 (# 309:10 Unique 2.71, 3.49 A)
&rst
ixpk= 309, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 311, 312,
&end
#
# 19 LYS HG- 19 LYS HN 6.00 (# 310:10 Unique 2.71, 3.49 A)
&rst
ixpk= 310, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 311, 312,
&end
#
# 18 THR MG2 19 LYS HN 6.00 (# 311:10 Unique 4.67, 4.94 A)
&rst
ixpk= 311, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 296, 297, 298,
&end
#
# 19 LYS HN 20 GLY HN 4.30 (# 312:10 Unique 2.64, 2.84 A)
&rst
ixpk= 312, nxpk= 10, iat= 304, 326, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:316 20 GLY HN 2.60 (# 316:10 Single Ambig)
&rst
ixpk= 316, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 328, 329, 328, 329,
&end
#
# 18 THR HB 20 GLY HN 5.50 (# 317:10 Unique 3.71, 4.12 A)
&rst
ixpk= 317, nxpk= 10, iat= 294, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 LYS HB+ 20 GLY HN 5.50 (# 319:10 Unique 4.25, 4.42 A)
&rst
ixpk= 319, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 308, 309,
&end
#
# 19 LYS HB- 20 GLY HN 5.50 (# 320:10 Unique 4.25, 4.42 A)
&rst
ixpk= 320, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 308, 309,
&end
#
# 18 THR MG2 20 GLY HN 5.50 (# 323:10 Single Ambig)
&rst
ixpk= 323, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 296, 297, 298,
&end
#
# 0 AMB 10-2:327 21 GLY HN 4.30 (# 327:10 Single Ambig)
&rst
ixpk= 327, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 328, 329, 328, 329, 335, 336,
&end
#
# 21 GLY HA- 21 GLY HN 5.50 (# 328:10 Unique 2.58, 2.81 A)
&rst
ixpk= 328, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 335, 336,
&end
#
# 21 GLY HA+ 22 ASN HN 4.30 (# 329:10 Unique 2.25, 2.54 A)
&rst
ixpk= 329, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 335, 336,
&end
#
# 21 GLY HA- 22 ASN HN 5.50 (# 330:10 Unique 2.25, 2.54 A)
&rst
ixpk= 330, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 335, 336,
&end
#
# 22 ASN HB+ 22 ASN HN 4.30 (# 331:10 Unique 2.40, 2.64 A)
&rst
ixpk= 331, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 344, 345,
&end
#
# 22 ASN HB- 22 ASN HN 6.00 (# 332:10 Unique 2.40, 2.64 A)
&rst
ixpk= 332, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 344, 345,
&end
#
# 0 AMB 10-2:333 22 ASN HN 6.00 (# 333:10 Single Ambig)
&rst
ixpk= 333, nxpk= 10, iat= 354, 340, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 ASN HB+ 22 ASN HD2+ 4.30 (# 341:10 Unique 2.24, 3.18 A)
&rst
ixpk= 341, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 344, 345,
igr2= 349, 350,
&end
#
# 22 ASN HB+ 22 ASN HD2- 4.30 (# 342:10 Unique 2.24, 3.18 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 344, 345,
igr2= 349, 350,
&end
#
# 22 ASN HB- 22 ASN HD2- 4.30 (# 343:10 Unique 2.24, 3.18 A)
&rst
ixpk= 343, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 344, 345,
igr2= 349, 350,
&end
#
# 22 ASN HB- 22 ASN HD2+ 6.00 (# 344:10 Unique 2.24, 3.18 A)
&rst
ixpk= 344, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 344, 345,
igr2= 349, 350,
&end
#
# 26 LEU HB+ 23 HIS HN 6.00 (# 348:10 Unique 2.36, 3.54 A)
&rst
ixpk= 348, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 412, 413,
&end
#
# 0 AMB 10-2:349 23 HIS HN 4.30 (# 349:10 Single Ambig)
&rst
ixpk= 349, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 358, 359, 358, 359,
&end
#
# 23 HIS HA 23 HIS HN 6.00 (# 352:10 Unique 2.88, 2.97 A)
&rst
ixpk= 352, nxpk= 10, iat= 356, 354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 THR HN 24 LYS HN 6.00 (# 353:10 Unique 3.13, 3.23 A)
&rst
ixpk= 353, nxpk= 10, iat= 394, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 HIS HA 24 LYS HN 4.30 (# 355:10 Unique 2.21, 2.26 A)
&rst
ixpk= 355, nxpk= 10, iat= 356, 372, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 24 LYS HA 24 LYS HN 4.30 (# 359:10 Unique 2.70, 2.78 A)
&rst
ixpk= 359, nxpk= 10, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:360 24 LYS HN 6.00 (# 360:10 Single Ambig)
&rst
ixpk= 360, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 358, 359, 358, 359,
&end
#
# 0 AMB 10-2:361 24 LYS HN 4.30 (# 361:10 Single Ambig)
&rst
ixpk= 361, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 382, 383, 382, 383,
&end
#
# 24 LYS HB- 24 LYS HN 4.30 (# 362:10 Unique 2.19, 2.59 A)
&rst
ixpk= 362, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 376, 377,
&end
#
# 24 LYS HB+ 24 LYS HN 4.30 (# 363:10 Unique 2.19, 2.59 A)
&rst
ixpk= 363, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 376, 377,
&end
#
# 24 LYS HG+ 24 LYS HN 6.00 (# 364:10 Unique 2.37, 4.16 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 380,
&end
#
# 24 LYS HG- 24 LYS HN 6.00 (# 365:10 Unique 2.37, 4.16 A)
&rst
ixpk= 365, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 380,
&end
#
# 24 LYS HN 25 THR HN 4.30 (# 366:10 Unique 3.13, 3.23 A)
&rst
ixpk= 366, nxpk= 10, iat= 372, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 27 LYS HN 25 THR HN 4.30 (# 367:10 Unique 4.17, 4.23 A)
&rst
ixpk= 367, nxpk= 10, iat= 427, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 LEU HN 25 THR HN 4.30 (# 368:10 Unique 2.76, 2.87 A)
&rst
ixpk= 368, nxpk= 10, iat= 408, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 GLU HN 25 THR HN 6.00 (# 369:10 Unique 4.61, 4.64 A)
&rst
ixpk= 369, nxpk= 10, iat= 449, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 HIS HD2 25 THR HN 4.30 (# 370:10 Unique)
&rst
ixpk= 370, nxpk= 10, iat= 368, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:371 25 THR HN 6.00 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 358, 359, 358, 359,
&end
#
# 23 HIS HA 25 THR HN 6.00 (# 372:10 Unique 4.50, 4.69 A)
&rst
ixpk= 372, nxpk= 10, iat= 356, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:373 25 THR HN 4.30 (# 373:10 Single Ambig)
&rst
ixpk= 373, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 396, 374,
&end
#
# 25 THR HB 25 THR HN 4.30 (# 374:10 Unique 2.59, 2.66 A)
&rst
ixpk= 374, nxpk= 10, iat= 398, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 24 LYS HB- 25 THR HN 4.30 (# 375:10 Unique 2.40, 3.19 A)
&rst
ixpk= 375, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 376, 377,
&end
#
# 24 LYS HG+ 25 THR HN 6.00 (# 376:10 Unique 3.64, 4.51 A)
&rst
ixpk= 376, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 380,
&end
#
# 26 LEU HB- 25 THR HN 6.00 (# 377:10 Unique 4.97, 5.15 A)
&rst
ixpk= 377, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 412, 413,
&end
#
# 24 LYS HG- 25 THR HN 6.00 (# 378:10 Unique 3.64, 4.51 A)
&rst
ixpk= 378, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 380,
&end
#
# 0 AMB 10-2:379 25 THR HN 4.30 (# 379:10 Single Ambig)
&rst
ixpk= 379, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 262, 263, 264, 400, 401, 402,
&end
#
# 16 ILE MD1 25 THR HN 6.00 (# 380:10 Unique 4.35, 5.52 A)
&rst
ixpk= 380, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 25 THR HN 26 LEU HN 4.30 (# 381:10 Unique 2.76, 2.87 A)
&rst
ixpk= 381, nxpk= 10, iat= 394, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 27 LYS HN 26 LEU HN 4.30 (# 382:10 Unique 2.56, 2.64 A)
&rst
ixpk= 382, nxpk= 10, iat= 427, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:383 26 LEU HN 6.00 (# 383:10 Single Ambig)
&rst
ixpk= 383, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 396, 429,
&end
#
# 25 THR HB 26 LEU HN 6.00 (# 384:10 Unique 2.71, 2.78 A)
&rst
ixpk= 384, nxpk= 10, iat= 398, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HA 26 LEU HN 6.00 (# 385:10 Unique 2.87, 2.88 A)
&rst
ixpk= 385, nxpk= 10, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HB+ 26 LEU HN 4.30 (# 386:10 Unique 2.38, 2.50 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 412, 413,
&end
#
# 0 AMB 10-2:387 26 LEU HN 4.30 (# 387:10 Single Ambig)
&rst
ixpk= 387, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 415, 266, 267,
&end
#
# 26 LEU HB- 26 LEU HN 4.30 (# 388:10 Unique 2.38, 2.50 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 412, 413,
&end
#
# 0 AMB 10-2:389 26 LEU HN 6.00 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 262, 263, 264, 400, 401, 402,
&end
#
# 26 LEU MDX 26 LEU HN 6.00 (# 390:10 Unique 4.63, 5.20 A)
&rst
ixpk= 390, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU MDY 26 LEU HN 6.00 (# 391:10 Unique 4.63, 5.20 A)
&rst
ixpk= 391, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 16 ILE MD1 26 LEU HN 6.00 (# 392:10 Unique 2.59, 3.47 A)
&rst
ixpk= 392, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 29 TRP HN 27 LYS HN 6.00 (# 393:10 Unique 4.09, 4.19 A)
&rst
ixpk= 393, nxpk= 10, iat= 464, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 THR HN 27 LYS HN 6.00 (# 394:10 Unique 4.17, 4.23 A)
&rst
ixpk= 394, nxpk= 10, iat= 394, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 27 LYS HN 4.30 (# 395:10 Unique 2.56, 2.64 A)
&rst
ixpk= 395, nxpk= 10, iat= 408, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 GLU HN 27 LYS HN 4.30 (# 396:10 Unique 2.68, 2.70 A)
&rst
ixpk= 396, nxpk= 10, iat= 449, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 GLU HA 27 LYS HN 6.00 (# 397:10 Unique 5.20, 5.22 A)
&rst
ixpk= 397, nxpk= 10, iat= 451, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:398 27 LYS HN 4.30 (# 398:10 Single Ambig)
&rst
ixpk= 398, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 429, 374, 396,
&end
#
# 0 AMB 10-2:399 27 LYS HN 6.00 (# 399:10 Single Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 398, 468, 469, 490,
&end
#
# 26 LEU HA 27 LYS HN 6.00 (# 400:10 Unique 3.54, 3.56 A)
&rst
ixpk= 400, nxpk= 10, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:401 27 LYS HN 6.00 (# 401:10 Single Ambig)
&rst
ixpk= 401, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 440, 441,
&end
#
# 0 AMB 10-2:402 27 LYS HN 4.30 (# 402:10 Single Ambig)
&rst
ixpk= 402, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 358, 359, 358, 359,
&end
#
# 0 AMB 10-2:403 27 LYS HN 6.00 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 457,
&end
#
# 28 GLU HB+ 27 LYS HN 6.00 (# 404:10 Unique 4.82, 5.56 A)
&rst
ixpk= 404, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 453, 454,
&end
#
# 0 AMB 10-2:405 27 LYS HN 6.00 (# 405:10 Single Ambig)
&rst
ixpk= 405, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 456, 457, 453, 454,
&end
#
# 0 AMB 10-2:406 27 LYS HN 2.60 (# 406:10 Single Ambig)
&rst
ixpk= 406, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 431, 432, 431, 432,
&end
#
# 0 AMB 10-2:407 27 LYS HN 4.30 (# 407:10 Single Ambig)
&rst
ixpk= 407, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 437, 438, 492, 493,
&end
#
# 0 AMB 10-2:408 27 LYS HN 4.30 (# 408:10 Single Ambig)
&rst
ixpk= 408, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 412, 413, 437, 438, 434, 435,
&end
#
# 0 AMB 10-2:409 27 LYS HN 4.30 (# 409:10 Single Ambig)
&rst
ixpk= 409, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 434, 435,
&end
#
# 26 LEU HG 27 LYS HN 6.00 (# 410:10 Unique 3.92, 4.24 A)
&rst
ixpk= 410, nxpk= 10, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HB- 27 LYS HN 4.30 (# 411:10 Unique 2.53, 3.32 A)
&rst
ixpk= 411, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 412, 413,
&end
#
# 0 AMB 10-2:412 27 LYS HN 6.00 (# 412:10 Single Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 400, 401, 402, 262, 263, 264, 618, 619, 620, 622,
623, 624,
&end
#
# 26 LEU MDX 27 LYS HN 6.00 (# 413:10 Unique 3.63, 5.45 A)
&rst
ixpk= 413, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU MDY 27 LYS HN 6.00 (# 414:10 Unique 3.63, 5.45 A)
&rst
ixpk= 414, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 16 ILE MD1 27 LYS HN 6.00 (# 415:10 Unique 4.87, 5.57 A)
&rst
ixpk= 415, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 29 TRP HN 28 GLU HN 2.60 (# 416:10 Unique 2.64, 2.65 A)
&rst
ixpk= 416, nxpk= 10, iat= 464, 449, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 30 LYS HN 28 GLU HN 6.00 (# 417:10 Unique 4.08, 4.13 A)
&rst
ixpk= 417, nxpk= 10, iat= 488, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 LYS HN 28 GLU HN 2.60 (# 418:10 Unique 2.68, 2.70 A)
&rst
ixpk= 418, nxpk= 10, iat= 427, 449, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 31 ALA HN 28 GLU HN 6.00 (# 419:10 Unique 4.58, 4.61 A)
&rst
ixpk= 419, nxpk= 10, iat= 510, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HA 28 GLU HN 2.80 (# 421:10 Unique 2.80, 2.81 A)
&rst
ixpk= 421, nxpk= 10, iat= 451, 449, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:423 28 GLU HN 4.30 (# 423:10 Single Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 396, 429,
&end
#
# 0 AMB 10-2:424 28 GLU HN 4.30 (# 424:10 Single Ambig)
&rst
ixpk= 424, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 468, 469, 398, 490,
&end
#
# 26 LEU HA 28 GLU HN 6.00 (# 425:10 Unique 4.26, 4.32 A)
&rst
ixpk= 425, nxpk= 10, iat= 410, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HG+ 28 GLU HN 2.60 (# 428:10 Unique 2.54, 3.15 A)
&rst
ixpk= 428, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 456, 457,
&end
#
# 28 GLU HB+ 28 GLU HN 2.60 (# 429:10 Unique 2.34, 2.99 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 453, 454,
&end
#
# 0 AMB 10-2:430 28 GLU HN 2.60 (# 430:10 Single Ambig)
&rst
ixpk= 430, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 453, 454, 456, 457,
&end
#
# 0 AMB 10-2:431 28 GLU HN 2.60 (# 431:10 Single Ambig)
&rst
ixpk= 431, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 431, 432, 431, 432,
&end
#
# 0 AMB 10-2:432 28 GLU HN 4.30 (# 432:10 Single Ambig)
&rst
ixpk= 432, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 437, 438, 434, 435,
&end
#
# 25 THR MG2 28 GLU HN 4.30 (# 435:10 Unique 4.89, 5.55 A)
&rst
ixpk= 435, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 400, 401, 402,
&end
#
# 0 AMB 10-2:436 28 GLU HN 6.00 (# 436:10 Single Ambig)
&rst
ixpk= 436, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 437, 438,
&end
#
# 25 THR HN 28 GLU HN 6.00 (# 437:10 Unique 4.61, 4.64 A)
&rst
ixpk= 437, nxpk= 10, iat= 394, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HE1 29 TRP HN 6.00 (# 439:10 Unique 4.64, 4.68 A)
&rst
ixpk= 439, nxpk= 10, iat= 474, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HN 29 TRP HN 4.30 (# 440:10 Unique 2.65, 2.72 A)
&rst
ixpk= 440, nxpk= 10, iat= 488, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 27 LYS HN 29 TRP HN 6.00 (# 441:10 Unique 4.09, 4.19 A)
&rst
ixpk= 441, nxpk= 10, iat= 427, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ALA HN 29 TRP HN 6.00 (# 442:10 Unique 3.94, 4.03 A)
&rst
ixpk= 442, nxpk= 10, iat= 510, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HN 29 TRP HN 4.30 (# 443:10 Unique 2.64, 2.65 A)
&rst
ixpk= 443, nxpk= 10, iat= 449, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 29 TRP HD1 29 TRP HN 4.30 (# 444:10 Unique 2.62, 2.67 A)
&rst
ixpk= 444, nxpk= 10, iat= 472, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 29 TRP HA 29 TRP HN 4.30 (# 445:10 Unique 2.87, 2.89 A)
&rst
ixpk= 445, nxpk= 10, iat= 466, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 GLU HA 29 TRP HN 4.30 (# 446:10 Unique 3.54, 3.55 A)
&rst
ixpk= 446, nxpk= 10, iat= 451, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:447 29 TRP HN 4.30 (# 447:10 Single Ambig)
&rst
ixpk= 447, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 396, 429,
&end
#
# 29 TRP HB+ 29 TRP HN 4.30 (# 448:10 Unique 2.46, 3.05 A)
&rst
ixpk= 448, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 468, 469,
&end
#
# 29 TRP HB- 29 TRP HN 4.30 (# 449:10 Unique 2.46, 3.05 A)
&rst
ixpk= 449, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 468, 469,
&end
#
# 26 LEU HA 29 TRP HN 4.30 (# 450:10 Unique 3.23, 3.37 A)
&rst
ixpk= 450, nxpk= 10, iat= 410, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 GLU HG+ 29 TRP HN 4.30 (# 451:10 Unique 4.59, 4.87 A)
&rst
ixpk= 451, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 456, 457,
&end
#
# 0 AMB 10-2:452 29 TRP HN 4.30 (# 452:10 Single Ambig)
&rst
ixpk= 452, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 453, 454, 533, 534,
&end
#
# 28 GLU HB- 29 TRP HN 4.30 (# 453:10 Unique 2.72, 3.21 A)
&rst
ixpk= 453, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 453, 454,
&end
#
# 30 LYS HB+ 29 TRP HN 6.00 (# 454:10 Unique 4.85, 5.09 A)
&rst
ixpk= 454, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 492, 493,
&end
#
# 0 AMB 10-2:455 29 TRP HN 6.00 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 492, 493, 616,
&end
#
# 31 ALA MB 29 TRP HN 6.00 (# 456:10 Unique 5.00, 5.88 A)
&rst
ixpk= 456, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 514, 515, 516,
&end
#
# 0 AMB 10-2:457 29 TRP HN 6.00 (# 457:10 Single Ambig)
&rst
ixpk= 457, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 524, 525, 495, 496, 412, 413,
&end
#
# 0 AMB 10-2:458 29 TRP HN 6.00 (# 458:10 Single Ambig)
&rst
ixpk= 458, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 618, 619, 620, 622, 623, 624, 530, 531,
&end
#
# 0 AMB 10-2:459 29 TRP HN 4.30 (# 459:10 Single Ambig)
&rst
ixpk= 459, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 400, 401, 402, 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 10-2:460 29 TRP HN 6.00 (# 460:10 Single Ambig)
&rst
ixpk= 460, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 417, 418, 419, 421, 422, 423, 527, 528,
&end
#
# 0 AMB 10-2:461 29 TRP HN 6.00 (# 461:10 Single Ambig)
&rst
ixpk= 461, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 495, 496,
&end
#
# 0 AMB 10-2:462 29 TRP HN 6.00 (# 462:10 Single Ambig)
&rst
ixpk= 462, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 412, 413, 498, 499,
&end
#
# 29 TRP HN 30 LYS HN 4.30 (# 463:10 Unique 2.65, 2.72 A)
&rst
ixpk= 463, nxpk= 10, iat= 464, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 TRP HE3 30 LYS HN 6.00 (# 464:10 Unique 4.96, 5.02 A)
&rst
ixpk= 464, nxpk= 10, iat= 561, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ALA HN 30 LYS HN 4.30 (# 465:10 Unique 2.66, 2.69 A)
&rst
ixpk= 465, nxpk= 10, iat= 510, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 GLU HN 30 LYS HN 6.00 (# 466:10 Unique 4.08, 4.13 A)
&rst
ixpk= 466, nxpk= 10, iat= 449, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:467 30 LYS HN 4.30 (# 467:10 Single Ambig)
&rst
ixpk= 467, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 520, 566,
&end
#
# 29 TRP HA 30 LYS HN 6.00 (# 468:10 Unique 3.55, 3.57 A)
&rst
ixpk= 468, nxpk= 10, iat= 466, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:469 30 LYS HN 6.00 (# 469:10 Single Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 451, 512,
&end
#
# 35 PRO HA 30 LYS HN 6.00 (# 470:10 Unique)
&rst
ixpk= 470, nxpk= 10, iat= 583, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 LYS HA 30 LYS HN 4.30 (# 471:10 Unique 3.31, 3.45 A)
&rst
ixpk= 471, nxpk= 10, iat= 429, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:472 30 LYS HN 4.30 (# 472:10 Single Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 468, 469, 490,
&end
#
# 29 TRP HB- 30 LYS HN 4.30 (# 473:10 Unique 2.52, 3.11 A)
&rst
ixpk= 473, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 468, 469,
&end
#
# 26 LEU HA 30 LYS HN 6.00 (# 474:10 Unique 3.84, 3.98 A)
&rst
ixpk= 474, nxpk= 10, iat= 410, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:475 30 LYS HN 6.00 (# 475:10 Single Ambig)
&rst
ixpk= 475, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 30 LYS HE- 30 LYS HN 6.00 (# 476:10 Unique 4.48, 5.06 A)
&rst
ixpk= 476, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 28 GLU HB+ 30 LYS HN 6.00 (# 477:10 Unique 5.19, 5.46 A)
&rst
ixpk= 477, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 453, 454,
&end
#
# 28 GLU HB- 30 LYS HN 6.00 (# 478:10 Unique 5.19, 5.46 A)
&rst
ixpk= 478, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 453, 454,
&end
#
# 30 LYS HB+ 30 LYS HN 2.60 (# 479:10 Unique 2.38, 2.63 A)
&rst
ixpk= 479, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 492, 493,
&end
#
# 30 LYS HG+ 30 LYS HN 4.30 (# 480:10 Unique 2.53, 4.13 A)
&rst
ixpk= 480, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 495, 496,
&end
#
# 30 LYS HB- 30 LYS HN 4.30 (# 481:10 Unique 2.38, 2.63 A)
&rst
ixpk= 481, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 492, 493,
&end
#
# 31 ALA MB 30 LYS HN 4.30 (# 482:10 Unique 4.81, 5.38 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 514, 515, 516,
&end
#
# 0 AMB 10-2:484 30 LYS HN 6.00 (# 484:10 Single Ambig)
&rst
ixpk= 484, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 415, 530, 531,
&end
#
# 30 LYS HG- 30 LYS HN 4.30 (# 485:10 Unique 2.53, 4.13 A)
&rst
ixpk= 485, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 495, 496,
&end
#
# 38 VAL MGY 30 LYS HN 4.30 (# 486:10 Unique 2.81, 4.39 A)
&rst
ixpk= 486, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL MGX 30 LYS HN 4.30 (# 487:10 Unique 2.81, 4.39 A)
&rst
ixpk= 487, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 26 LEU MDX 30 LYS HN 6.00 (# 488:10 Unique 3.64, 5.77 A)
&rst
ixpk= 488, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU MDY 30 LYS HN 6.00 (# 489:10 Unique 3.64, 5.77 A)
&rst
ixpk= 489, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 417, 418, 419, 421, 422, 423,
&end
#
# 30 LYS HB- 30 LYS HN 4.30 (# 490:10 Unique 2.38, 2.63 A)
&rst
ixpk= 490, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 492, 493,
&end
#
# 29 TRP HN 31 ALA HN 4.30 (# 491:10 Unique 3.94, 4.03 A)
&rst
ixpk= 491, nxpk= 10, iat= 464, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 30 LYS HN 31 ALA HN 4.30 (# 492:10 Unique 2.66, 2.69 A)
&rst
ixpk= 492, nxpk= 10, iat= 488, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 TRP HN 31 ALA HN 4.30 (# 493:10 Unique 4.10, 4.22 A)
&rst
ixpk= 493, nxpk= 10, iat= 542, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 32 LYS HN 31 ALA HN 2.60 (# 494:10 Unique 2.59, 2.61 A)
&rst
ixpk= 494, nxpk= 10, iat= 520, 510, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 29 TRP HA 31 ALA HN 6.00 (# 495:10 Unique 4.09, 4.19 A)
&rst
ixpk= 495, nxpk= 10, iat= 466, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:497 31 ALA HN 2.60 (# 497:10 Single Ambig)
&rst
ixpk= 497, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 512, 451,
&end
#
# 32 LYS HA 31 ALA HN 6.00 (# 498:10 Unique)
&rst
ixpk= 498, nxpk= 10, iat= 522, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 LYS HA 31 ALA HN 4.30 (# 499:10 Unique 3.95, 4.03 A)
&rst
ixpk= 499, nxpk= 10, iat= 429, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:500 31 ALA HN 4.30 (# 500:10 Single Ambig)
&rst
ixpk= 500, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 490, 468, 469,
&end
#
# 0 AMB 10-2:502 31 ALA HN 6.00 (# 502:10 Single Ambig)
&rst
ixpk= 502, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534, 456, 457,
&end
#
# 0 AMB 10-2:503 31 ALA HN 6.00 (# 503:10 Single Ambig)
&rst
ixpk= 503, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 453, 454, 533, 534,
&end
#
# 0 AMB 10-2:504 31 ALA HN 6.00 (# 504:10 Single Ambig)
&rst
ixpk= 504, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 453, 454, 456, 457, 580, 581,
&end
#
# 30 LYS HB+ 31 ALA HN 4.30 (# 505:10 Unique 2.71, 3.40 A)
&rst
ixpk= 505, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 492, 493,
&end
#
# 0 AMB 10-2:506 31 ALA HN 4.30 (# 506:10 Single Ambig)
&rst
ixpk= 506, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 495, 496, 431, 432, 431, 432,
&end
#
# 30 LYS HB- 31 ALA HN 4.30 (# 507:10 Unique 2.71, 3.40 A)
&rst
ixpk= 507, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 492, 493,
&end
#
# 31 ALA MB 31 ALA HN 2.20 (# 509:10 Unique 2.39, 2.86 A)
&rst
ixpk= 509, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 514, 515, 516,
&end
#
# 0 AMB 10-2:510 31 ALA HN 4.30 (# 510:10 Single Ambig)
&rst
ixpk= 510, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 495, 496, 524, 525,
&end
#
# 38 VAL MGX 31 ALA HN 6.00 (# 512:10 Unique 5.06, 6.37 A)
&rst
ixpk= 512, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 32 LYS HG- 31 ALA HN 6.00 (# 513:10 Unique 4.59, 5.44 A)
&rst
ixpk= 513, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 527, 528,
&end
#
# 32 LYS HB- 31 ALA HN 4.30 (# 514:10 Unique 4.48, 5.25 A)
&rst
ixpk= 514, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 524, 525,
&end
#
# 29 TRP HN 32 LYS HN 6.00 (# 516:10 Unique 4.62, 4.66 A)
&rst
ixpk= 516, nxpk= 10, iat= 464, 520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HN 32 LYS HN 6.00 (# 517:10 Unique 4.34, 4.39 A)
&rst
ixpk= 517, nxpk= 10, iat= 488, 520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 TRP HN 32 LYS HN 4.30 (# 518:10 Unique 2.90, 2.97 A)
&rst
ixpk= 518, nxpk= 10, iat= 542, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 TRP HE3 0 AMB 10-1:519 4.30 (# 519:10 Single Ambig)
&rst
ixpk= 519, nxpk= 10, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 520, 186,
&end
#
# 31 ALA HN 32 LYS HN 2.60 (# 520:10 Unique 2.59, 2.61 A)
&rst
ixpk= 520, nxpk= 10, iat= 510, 520, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 29 TRP HA 32 LYS HN 6.00 (# 521:10 Unique 3.37, 3.41 A)
&rst
ixpk= 521, nxpk= 10, iat= 466, 520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:523 32 LYS HN 4.30 (# 523:10 Single Ambig)
&rst
ixpk= 523, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 512, 451,
&end
#
# 32 LYS HA 32 LYS HN 2.60 (# 524:10 Unique 2.69, 2.70 A)
&rst
ixpk= 524, nxpk= 10, iat= 522, 520, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 10 PRO HA 11 HIS HN 6.00 (# 525:10 Unique 3.48, 3.51 A)
&rst
ixpk= 525, nxpk= 10, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:526 32 LYS HN 6.00 (# 526:10 Single Ambig)
&rst
ixpk= 526, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 490, 468, 469,
&end
#
# 11 HIS HB+ 11 HIS HN 6.00 (# 527:10 Unique 2.36, 3.02 A)
&rst
ixpk= 527, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 190, 191,
&end
#
# 0 AMB 10-2:528 0 AMB 10-1:528 2.20 (# 528:10 Double Ambig)
&rst
ixpk= 528, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 514, 515, 516, 179, 180,
igr2= 520, 186,
&end
#
# 32 LYS HB+ 32 LYS HN 2.60 (# 529:10 Unique 2.27, 2.92 A)
&rst
ixpk= 529, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 524, 525,
&end
#
# 32 LYS HD+ 32 LYS HN 4.30 (# 530:10 Unique 3.82, 4.28 A)
&rst
ixpk= 530, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 530, 531,
&end
#
# 0 AMB 10-2:531 0 AMB 10-1:531 2.60 (# 531:10 Double Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 524, 525, 176, 177,
igr2= 520, 186,
&end
#
# 0 AMB 10-2:532 0 AMB 10-1:532 6.00 (# 532:10 Double Ambig)
&rst
ixpk= 532, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 530, 531, 162, 163, 618, 619, 620, 622, 623, 624,
igr2= 520, 186,
&end
#
# 0 AMB 10-2:533 0 AMB 10-1:533 4.30 (# 533:10 Double Ambig)
&rst
ixpk= 533, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 527, 528, 173, 174,
igr2= 520, 186,
&end
#
# 38 VAL MGX 32 LYS HN 6.00 (# 534:10 Unique 6.02, 7.48 A)
&rst
ixpk= 534, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 32 LYS HG- 32 LYS HN 4.30 (# 535:10 Unique 2.40, 3.06 A)
&rst
ixpk= 535, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 527, 528,
&end
#
# 33 TRP HE3 33 TRP HN 4.30 (# 536:10 Unique 2.91, 2.96 A)
&rst
ixpk= 536, nxpk= 10, iat= 561, 542, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 31 ALA HN 33 TRP HN 6.00 (# 537:10 Unique 4.10, 4.22 A)
&rst
ixpk= 537, nxpk= 10, iat= 510, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:538 33 TRP HN 2.60 (# 538:10 Single Ambig)
&rst
ixpk= 538, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 566, 520,
&end
#
# 33 TRP HD1 33 TRP HN 6.00 (# 539:10 Unique 5.12, 5.16 A)
&rst
ixpk= 539, nxpk= 10, iat= 550, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HA 33 TRP HN 6.00 (# 540:10 Unique 3.62, 3.69 A)
&rst
ixpk= 540, nxpk= 10, iat= 466, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY HA+ 33 TRP HN 6.00 (# 541:10 Unique 4.17, 4.54 A)
&rst
ixpk= 541, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 568, 569,
&end
#
# 34 GLY HA- 33 TRP HN 6.00 (# 542:10 Unique 4.17, 4.54 A)
&rst
ixpk= 542, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 568, 569,
&end
#
# 0 AMB 10-2:543 33 TRP HN 6.00 (# 543:10 Single Ambig)
&rst
ixpk= 543, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 512, 451,
&end
#
# 32 LYS HA 33 TRP HN 4.30 (# 544:10 Unique 3.51, 3.53 A)
&rst
ixpk= 544, nxpk= 10, iat= 522, 542, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:545 33 TRP HN 6.00 (# 545:10 Single Ambig)
&rst
ixpk= 545, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 490, 468, 469,
&end
#
# 33 TRP HB+ 33 TRP HN 4.30 (# 546:10 Unique 2.65, 3.25 A)
&rst
ixpk= 546, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 546, 547,
&end
#
# 33 TRP HB- 33 TRP HN 4.30 (# 547:10 Unique 2.65, 3.25 A)
&rst
ixpk= 547, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 546, 547,
&end
#
# 31 ALA MB 33 TRP HN 6.00 (# 548:10 Unique 4.90, 5.53 A)
&rst
ixpk= 548, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 514, 515, 516,
&end
#
# 32 LYS HD+ 33 TRP HN 6.00 (# 550:10 Unique 5.28, 5.98 A)
&rst
ixpk= 550, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 530, 531,
&end
#
# 32 LYS HB- 33 TRP HN 4.30 (# 551:10 Unique 2.87, 3.25 A)
&rst
ixpk= 551, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 524, 525,
&end
#
# 0 AMB 10-2:552 33 TRP HN 6.00 (# 552:10 Single Ambig)
&rst
ixpk= 552, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 618, 619, 620, 622, 623, 624, 530, 531,
&end
#
# 32 LYS HG+ 33 TRP HN 6.00 (# 553:10 Unique 4.74, 4.98 A)
&rst
ixpk= 553, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 527, 528,
&end
#
# 38 VAL MGX 33 TRP HN 6.00 (# 554:10 Unique 4.60, 6.21 A)
&rst
ixpk= 554, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 32 LYS HG- 33 TRP HN 6.00 (# 555:10 Unique 4.74, 4.98 A)
&rst
ixpk= 555, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 527, 528,
&end
#
# 33 TRP HN 34 GLY HN 2.60 (# 556:10 Unique 2.28, 2.33 A)
&rst
ixpk= 556, nxpk= 10, iat= 542, 566, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 36 GLU HN 34 GLY HN 6.00 (# 557:10 Unique 5.46, 5.54 A)
&rst
ixpk= 557, nxpk= 10, iat= 587, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 TRP HE3 34 GLY HN 6.00 (# 558:10 Unique 3.83, 3.97 A)
&rst
ixpk= 558, nxpk= 10, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ALA HN 34 GLY HN 6.00 (# 559:10 Unique 4.76, 4.93 A)
&rst
ixpk= 559, nxpk= 10, iat= 510, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY HA+ 34 GLY HN 2.60 (# 561:10 Unique 2.62, 2.82 A)
&rst
ixpk= 561, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 568, 569,
&end
#
# 0 AMB 10-2:562 34 GLY HN 6.00 (# 562:10 Single Ambig)
&rst
ixpk= 562, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 512, 451,
&end
#
# 34 GLY HA- 34 GLY HN 4.30 (# 563:10 Unique 2.62, 2.82 A)
&rst
ixpk= 563, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 568, 569,
&end
#
# 0 AMB 10-2:564 34 GLY HN 4.30 (# 564:10 Single Ambig)
&rst
ixpk= 564, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 574, 575, 604,
&end
#
# 30 LYS HA 34 GLY HN 4.30 (# 565:10 Unique 2.73, 2.79 A)
&rst
ixpk= 565, nxpk= 10, iat= 490, 566, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 35 PRO HD- 34 GLY HN 4.30 (# 566:10 Unique 4.43, 4.71 A)
&rst
ixpk= 566, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 574, 575,
&end
#
# 33 TRP HB+ 34 GLY HN 6.00 (# 567:10 Unique 2.34, 2.98 A)
&rst
ixpk= 567, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 546, 547,
&end
#
# 33 TRP HB- 34 GLY HN 4.30 (# 568:10 Unique 2.34, 2.98 A)
&rst
ixpk= 568, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 546, 547,
&end
#
# 0 AMB 10-2:569 34 GLY HN 6.00 (# 569:10 Single Ambig)
&rst
ixpk= 569, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 577, 578, 591, 592,
&end
#
# 38 VAL HA 34 GLY HN 6.00 (# 570:10 Unique 5.99, 6.01 A)
&rst
ixpk= 570, nxpk= 10, iat= 614, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HB- 34 GLY HN 6.00 (# 571:10 Unique 5.09, 5.45 A)
&rst
ixpk= 571, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 492, 493,
&end
#
# 31 ALA MB 34 GLY HN 6.00 (# 572:10 Unique 6.33, 6.85 A)
&rst
ixpk= 572, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 514, 515, 516,
&end
#
# 37 ALA MB 34 GLY HN 6.00 (# 573:10 Unique 3.32, 4.16 A)
&rst
ixpk= 573, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 0 AMB 10-2:574 34 GLY HN 6.00 (# 574:10 Single Ambig)
&rst
ixpk= 574, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496, 524, 525,
&end
#
# 38 VAL MGX 34 GLY HN 4.30 (# 576:10 Unique 3.08, 4.78 A)
&rst
ixpk= 576, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 37 ALA HN 36 GLU HN 2.60 (# 577:10 Unique 2.51, 2.55 A)
&rst
ixpk= 577, nxpk= 10, iat= 602, 587, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 39 GLU HN 36 GLU HN 6.00 (# 578:10 Unique 4.82, 4.84 A)
&rst
ixpk= 578, nxpk= 10, iat= 628, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:579 36 GLU HN 6.00 (# 579:10 Single Ambig)
&rst
ixpk= 579, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 566, 643,
&end
#
# 38 VAL HN 36 GLU HN 6.00 (# 580:10 Unique 4.39, 4.43 A)
&rst
ixpk= 580, nxpk= 10, iat= 612, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY HA+ 36 GLU HN 4.30 (# 581:10 Unique 3.44, 3.94 A)
&rst
ixpk= 581, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 568, 569,
&end
#
# 34 GLY HA- 36 GLU HN 6.00 (# 582:10 Unique 3.44, 3.94 A)
&rst
ixpk= 582, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 568, 569,
&end
#
# 36 GLU HA 36 GLU HN 2.80 (# 583:10 Unique 2.85, 2.88 A)
&rst
ixpk= 583, nxpk= 10, iat= 589, 587, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 PRO HD- 36 GLU HN 4.30 (# 584:10 Unique 2.91, 3.52 A)
&rst
ixpk= 584, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 574, 575,
&end
#
# 39 GLU HG+ 36 GLU HN 6.00 (# 586:10 Unique 5.47, 6.28 A)
&rst
ixpk= 586, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 635, 636,
&end
#
# 36 GLU HG+ 36 GLU HN 2.60 (# 587:10 Unique 1.82, 2.30 A)
&rst
ixpk= 587, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 594, 595,
&end
#
# 36 GLU HG- 36 GLU HN 2.20 (# 588:10 Unique 1.82, 2.30 A)
&rst
ixpk= 588, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 594, 595,
&end
#
# 35 PRO HG+ 36 GLU HN 2.60 (# 589:10 Unique 2.57, 3.37 A)
&rst
ixpk= 589, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 577, 578,
&end
#
# 0 AMB 10-2:590 36 GLU HN 2.60 (# 590:10 Single Ambig)
&rst
ixpk= 590, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 577, 578, 591, 592,
&end
#
# 36 GLU HB- 36 GLU HN 2.60 (# 591:10 Unique 2.70, 3.14 A)
&rst
ixpk= 591, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 591, 592,
&end
#
# 37 ALA MB 36 GLU HN 4.30 (# 594:10 Unique 4.61, 5.21 A)
&rst
ixpk= 594, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 606, 607, 608,
&end
#
# 36 GLU HN 37 ALA HN 2.60 (# 596:10 Unique 2.51, 2.55 A)
&rst
ixpk= 596, nxpk= 10, iat= 587, 602, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 39 GLU HN 37 ALA HN 4.30 (# 597:10 Unique 3.91, 3.93 A)
&rst
ixpk= 597, nxpk= 10, iat= 628, 602, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:598 37 ALA HN 6.00 (# 598:10 Single Ambig)
&rst
ixpk= 598, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 566, 643,
&end
#
# 38 VAL HN 37 ALA HN 4.30 (# 599:10 Unique 2.58, 2.61 A)
&rst
ixpk= 599, nxpk= 10, iat= 612, 602, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 34 GLY HA+ 37 ALA HN 6.00 (# 601:10 Unique 3.44, 4.13 A)
&rst
ixpk= 601, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 568, 569,
&end
#
# 0 AMB 10-2:602 37 ALA HN 6.00 (# 602:10 Single Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 568, 569, 647, 648,
&end
#
# 0 AMB 10-2:603 37 ALA HN 2.60 (# 603:10 Single Ambig)
&rst
ixpk= 603, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 604, 589,
&end
#
# 0 AMB 10-2:604 37 ALA HN 4.30 (# 604:10 Single Ambig)
&rst
ixpk= 604, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 594, 595, 594, 595, 580, 581,
&end
#
# 36 GLU HB+ 37 ALA HN 2.60 (# 606:10 Unique 2.53, 3.21 A)
&rst
ixpk= 606, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 591, 592,
&end
#
# 36 GLU HB- 37 ALA HN 2.60 (# 607:10 Unique 2.53, 3.21 A)
&rst
ixpk= 607, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 591, 592,
&end
#
# 38 VAL HB 37 ALA HN 6.00 (# 608:10 Unique 6.08, 6.10 A)
&rst
ixpk= 608, nxpk= 10, iat= 616, 602, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ALA MB 37 ALA HN 2.20 (# 609:10 Unique 2.32, 2.86 A)
&rst
ixpk= 609, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 606, 607, 608,
&end
#
# 38 VAL MGY 37 ALA HN 6.00 (# 610:10 Unique 3.89, 5.15 A)
&rst
ixpk= 610, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL MGX 37 ALA HN 4.30 (# 612:10 Unique 3.89, 5.15 A)
&rst
ixpk= 612, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 36 GLU HN 38 VAL HN 6.00 (# 613:10 Unique 4.39, 4.43 A)
&rst
ixpk= 613, nxpk= 10, iat= 587, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ALA HN 38 VAL HN 4.30 (# 614:10 Unique 2.58, 2.61 A)
&rst
ixpk= 614, nxpk= 10, iat= 602, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 GLU HN 38 VAL HN 4.30 (# 615:10 Unique 2.85, 2.86 A)
&rst
ixpk= 615, nxpk= 10, iat= 628, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:616 38 VAL HN 6.00 (# 616:10 Single Ambig)
&rst
ixpk= 616, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 566, 643, 673,
&end
#
# 39 GLU HA 38 VAL HN 6.00 (# 617:10 Unique 5.45, 5.47 A)
&rst
ixpk= 617, nxpk= 10, iat= 630, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:618 38 VAL HN 4.30 (# 618:10 Single Ambig)
&rst
ixpk= 618, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 583, 604, 589,
&end
#
# 0 AMB 10-2:619 38 VAL HN 6.00 (# 619:10 Single Ambig)
&rst
ixpk= 619, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 490, 468, 469,
&end
#
# 33 TRP HB- 38 VAL HN 6.00 (# 620:10 Unique 4.61, 5.05 A)
&rst
ixpk= 620, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 546, 547,
&end
#
# 0 AMB 10-2:621 38 VAL HN 6.00 (# 621:10 Single Ambig)
&rst
ixpk= 621, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 580, 581, 594, 595,
&end
#
# 38 VAL HA 38 VAL HN 2.60 (# 622:10 Unique 2.71, 2.73 A)
&rst
ixpk= 622, nxpk= 10, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:623 38 VAL HN 4.30 (# 623:10 Single Ambig)
&rst
ixpk= 623, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 632, 633, 591, 592, 577, 578,
&end
#
# 0 AMB 10-2:624 38 VAL HN 6.00 (# 624:10 Single Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 632, 633, 580, 581,
&end
#
# 38 VAL HB 38 VAL HN 4.30 (# 625:10 Unique 3.53, 3.55 A)
&rst
ixpk= 625, nxpk= 10, iat= 616, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 ALA MB 38 VAL HN 2.60 (# 627:10 Unique 2.08, 3.03 A)
&rst
ixpk= 627, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 606, 607, 608,
&end
#
# 38 VAL MGY 38 VAL HN 4.30 (# 628:10 Unique 2.05, 3.09 A)
&rst
ixpk= 628, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HG- 38 VAL HN 6.00 (# 629:10 Unique 4.71, 5.59 A)
&rst
ixpk= 629, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 495, 496,
&end
#
# 38 VAL MGX 38 VAL HN 2.60 (# 630:10 Unique 2.05, 3.09 A)
&rst
ixpk= 630, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 36 GLU HN 39 GLU HN 6.00 (# 631:10 Unique 4.82, 4.84 A)
&rst
ixpk= 631, nxpk= 10, iat= 587, 628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ALA HN 39 GLU HN 4.30 (# 632:10 Unique 3.91, 3.93 A)
&rst
ixpk= 632, nxpk= 10, iat= 602, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 40 SER HN 39 GLU HN 4.30 (# 633:10 Unique 2.43, 2.54 A)
&rst
ixpk= 633, nxpk= 10, iat= 643, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 38 VAL HN 39 GLU HN 4.30 (# 634:10 Unique 2.85, 2.86 A)
&rst
ixpk= 634, nxpk= 10, iat= 612, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HE 39 GLU HN 6.00 (# 635:10 Unique 4.10, 6.47 A)
&rst
ixpk= 635, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 0 AMB 10-2:636 39 GLU HN 6.00 (# 636:10 Single Ambig)
&rst
ixpk= 636, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 645, 568, 569,
&end
#
# 39 GLU HA 39 GLU HN 4.30 (# 637:10 Unique 2.90, 2.92 A)
&rst
ixpk= 637, nxpk= 10, iat= 630, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 40 SER HB- 39 GLU HN 6.00 (# 638:10 Unique 4.54, 4.95 A)
&rst
ixpk= 638, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 647, 648,
&end
#
# 0 AMB 10-2:639 39 GLU HN 4.30 (# 639:10 Single Ambig)
&rst
ixpk= 639, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 583, 589, 604,
&end
#
# 30 LYS HE+ 39 GLU HN 6.00 (# 641:10 Unique 5.17, 5.80 A)
&rst
ixpk= 641, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 39 GLU HG+ 39 GLU HN 2.60 (# 642:10 Unique 2.56, 3.19 A)
&rst
ixpk= 642, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 635, 636,
&end
#
# 39 GLU HG- 39 GLU HN 2.60 (# 643:10 Unique 2.56, 3.19 A)
&rst
ixpk= 643, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 635, 636,
&end
#
# 39 GLU HB+ 39 GLU HN 2.60 (# 645:10 Unique 2.31, 2.99 A)
&rst
ixpk= 645, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 632, 633,
&end
#
# 39 GLU HB- 39 GLU HN 2.60 (# 646:10 Unique 2.31, 2.99 A)
&rst
ixpk= 646, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 632, 633,
&end
#
# 0 AMB 10-2:647 39 GLU HN 4.30 (# 647:10 Single Ambig)
&rst
ixpk= 647, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 614, 495, 496,
&end
#
# 38 VAL HB 39 GLU HN 4.30 (# 649:10 Unique 3.85, 3.95 A)
&rst
ixpk= 649, nxpk= 10, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 ALA MB 39 GLU HN 6.00 (# 651:10 Unique 4.75, 5.36 A)
&rst
ixpk= 651, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 30 LYS HG- 39 GLU HN 6.00 (# 652:10 Unique 5.45, 6.42 A)
&rst
ixpk= 652, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 495, 496,
&end
#
# 38 VAL MGY 39 GLU HN 4.30 (# 653:10 Unique 2.54, 4.01 A)
&rst
ixpk= 653, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL MGX 39 GLU HN 4.30 (# 654:10 Unique 2.54, 4.01 A)
&rst
ixpk= 654, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 37 ALA HN 40 SER HN 6.00 (# 655:10 Unique 4.62, 4.67 A)
&rst
ixpk= 655, nxpk= 10, iat= 602, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 GLU HN 40 SER HN 2.60 (# 656:10 Unique 2.43, 2.54 A)
&rst
ixpk= 656, nxpk= 10, iat= 628, 643, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 41 TRP HN 40 SER HN 2.60 (# 657:10 Unique 2.57, 2.61 A)
&rst
ixpk= 657, nxpk= 10, iat= 654, 643, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 42 ALA HN 40 SER HN 4.30 (# 658:10 Unique 4.29, 4.58 A)
&rst
ixpk= 658, nxpk= 10, iat= 678, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 38 VAL HN 40 SER HN 6.00 (# 659:10 Unique 4.18, 4.22 A)
&rst
ixpk= 659, nxpk= 10, iat= 612, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:660 40 SER HN 6.00 (# 660:10 Single Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 656, 117,
&end
#
# 40 SER HA 40 SER HN 4.30 (# 661:10 Unique 2.89, 2.90 A)
&rst
ixpk= 661, nxpk= 10, iat= 645, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 GLU HA 40 SER HN 4.30 (# 662:10 Unique 3.51, 3.53 A)
&rst
ixpk= 662, nxpk= 10, iat= 630, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 40 SER HB+ 40 SER HN 4.30 (# 663:10 Unique 2.39, 2.63 A)
&rst
ixpk= 663, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 647, 648,
&end
#
# 40 SER HB- 40 SER HN 4.30 (# 664:10 Unique 2.39, 2.63 A)
&rst
ixpk= 664, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 647, 648,
&end
#
# 0 AMB 10-2:665 40 SER HN 4.30 (# 665:10 Single Ambig)
&rst
ixpk= 665, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 604, 589,
&end
#
# 39 GLU HG- 40 SER HN 4.30 (# 666:10 Unique 4.64, 4.94 A)
&rst
ixpk= 666, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 635, 636,
&end
#
# 0 AMB 10-2:667 40 SER HN 6.00 (# 667:10 Single Ambig)
&rst
ixpk= 667, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 594, 595, 594, 595, 580, 581,
&end
#
# 39 GLU HB+ 40 SER HN 4.30 (# 668:10 Unique 2.96, 3.42 A)
&rst
ixpk= 668, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 632, 633,
&end
#
# 38 VAL HA 40 SER HN 4.30 (# 669:10 Unique 4.17, 4.22 A)
&rst
ixpk= 669, nxpk= 10, iat= 614, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 GLU HB- 40 SER HN 4.30 (# 670:10 Unique 2.96, 3.42 A)
&rst
ixpk= 670, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 632, 633,
&end
#
# 38 VAL HB 40 SER HN 6.00 (# 671:10 Unique 5.55, 5.62 A)
&rst
ixpk= 671, nxpk= 10, iat= 616, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ALA MB 40 SER HN 6.00 (# 672:10 Unique 5.38, 5.58 A)
&rst
ixpk= 672, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 38 VAL MGY 40 SER HN 6.00 (# 673:10 Unique 4.98, 6.01 A)
&rst
ixpk= 673, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL MGX 40 SER HN 6.00 (# 674:10 Unique 4.98, 6.01 A)
&rst
ixpk= 674, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 41 TRP HE1 41 TRP HN 6.00 (# 675:10 Unique 4.43, 4.51 A)
&rst
ixpk= 675, nxpk= 10, iat= 664, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 SER HN 41 TRP HN 3.50 (# 679:10 Unique 2.57, 2.61 A)
&rst
ixpk= 679, nxpk= 10, iat= 643, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 ALA HN 41 TRP HN 2.80 (# 680:10 Unique 3.15, 3.34 A)
&rst
ixpk= 680, nxpk= 10, iat= 678, 654, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 TYR HD 41 TRP HN 6.00 (# 682:10 Unique 4.81, 6.92 A)
&rst
ixpk= 682, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 132,
&end
#
# 41 TRP HD1 41 TRP HN 4.30 (# 683:10 Unique 2.87, 2.97 A)
&rst
ixpk= 683, nxpk= 10, iat= 662, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HE 41 TRP HN 6.00 (# 685:10 Unique 5.50, 7.51 A)
&rst
ixpk= 685, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 41 TRP HA 41 TRP HN 3.50 (# 686:10 Unique 2.88, 2.89 A)
&rst
ixpk= 686, nxpk= 10, iat= 656, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 SER HA 41 TRP HN 4.30 (# 688:10 Unique 3.57, 3.58 A)
&rst
ixpk= 688, nxpk= 10, iat= 645, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 GLU HA 41 TRP HN 4.30 (# 689:10 Unique 4.24, 4.33 A)
&rst
ixpk= 689, nxpk= 10, iat= 630, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 40 SER HB+ 41 TRP HN 6.00 (# 690:10 Unique 2.56, 3.22 A)
&rst
ixpk= 690, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 647, 648,
&end
#
# 41 TRP HB+ 41 TRP HN 4.30 (# 691:10 Unique 2.53, 3.12 A)
&rst
ixpk= 691, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 658, 659,
&end
#
# 40 SER HB- 41 TRP HN 4.30 (# 692:10 Unique 2.56, 3.22 A)
&rst
ixpk= 692, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 647, 648,
&end
#
# 41 TRP HB- 41 TRP HN 4.30 (# 693:10 Unique 2.53, 3.12 A)
&rst
ixpk= 693, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 658, 659,
&end
#
# 38 VAL HA 41 TRP HN 4.30 (# 695:10 Unique 3.20, 3.28 A)
&rst
ixpk= 695, nxpk= 10, iat= 614, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 42 ALA MB 41 TRP HN 4.30 (# 696:10 Unique 4.62, 5.44 A)
&rst
ixpk= 696, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 682, 683, 684,
&end
#
# 38 VAL MGX 41 TRP HN 6.00 (# 697:10 Unique 5.57, 6.22 A)
&rst
ixpk= 697, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 10 PRO HG+ 41 TRP HN 6.00 (# 698:10 Unique 6.30, 6.82 A)
&rst
ixpk= 698, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 176, 177,
&end
#
# 37 ALA MB 41 TRP HN 6.00 (# 699:10 Unique 5.25, 5.80 A)
&rst
ixpk= 699, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 38 VAL HB 41 TRP HN 6.00 (# 700:10 Unique 5.11, 5.18 A)
&rst
ixpk= 700, nxpk= 10, iat= 616, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 THR HN 42 ALA HN 4.30 (# 701:10 Unique 4.36, 4.38 A)
&rst
ixpk= 701, nxpk= 10, iat= 688, 678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 TRP HN 42 ALA HN 2.80 (# 702:10 Unique 3.15, 3.34 A)
&rst
ixpk= 702, nxpk= 10, iat= 654, 678, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 SER HN 42 ALA HN 4.30 (# 705:10 Unique)
&rst
ixpk= 705, nxpk= 10, iat= 643, 678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HD 42 ALA HN 6.00 (# 706:10 Unique 4.65, 6.26 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 132,
&end
#
# 41 TRP HD1 42 ALA HN 6.00 (# 707:10 Unique 5.00, 5.11 A)
&rst
ixpk= 707, nxpk= 10, iat= 662, 678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HE 42 ALA HN 6.00 (# 708:10 Unique 4.98, 6.58 A)
&rst
ixpk= 708, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 0 AMB 10-2:709 42 ALA HN 4.30 (# 709:10 Single Ambig)
&rst
ixpk= 709, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 656, 117,
&end
#
# 40 SER HA 42 ALA HN 6.00 (# 710:10 Unique 3.59, 3.66 A)
&rst
ixpk= 710, nxpk= 10, iat= 645, 678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:711 42 ALA HN 4.30 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 630, 690,
&end
#
# 41 TRP HB+ 42 ALA HN 4.30 (# 712:10 Unique)
&rst
ixpk= 712, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 658, 659,
&end
#
# 41 TRP HB- 42 ALA HN 4.30 (# 713:10 Unique 4.03, 4.36 A)
&rst
ixpk= 713, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 658, 659,
&end
#
# 5 LYS HG- 42 ALA HN 6.00 (# 715:10 Unique 6.17, 7.05 A)
&rst
ixpk= 715, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 0 AMB 10-2:717 42 ALA HN 6.00 (# 717:10 Single Ambig)
&rst
ixpk= 717, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 86, 87, 140, 141,
&end
#
# 0 AMB 10-2:718 42 ALA HN 6.00 (# 718:10 Single Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 614, 105, 106, 173, 174,
&end
#
# 42 ALA MB 42 ALA HN 2.60 (# 719:10 Unique 2.65, 3.14 A)
&rst
ixpk= 719, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 682, 683, 684,
&end
#
# 42 ALA HA 42 ALA HN 4.30 (# 720:10 Unique 2.94, 2.95 A)
&rst
ixpk= 720, nxpk= 10, iat= 680, 678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 44 LEU HN 43 THR HN 6.00 (# 721:10 Unique 4.32, 4.38 A)
&rst
ixpk= 721, nxpk= 10, iat= 702, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LYS HN 43 THR HN 6.00 (# 722:10 Unique 4.93, 5.04 A)
&rst
ixpk= 722, nxpk= 10, iat= 136, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ALA HN 43 THR HN 4.30 (# 723:10 Unique 4.36, 4.38 A)
&rst
ixpk= 723, nxpk= 10, iat= 678, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HD 43 THR HN 6.00 (# 724:10 Unique 5.17, 5.40 A)
&rst
ixpk= 724, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 132,
&end
#
# 7 TYR HE 43 THR HN 6.00 (# 725:10 Unique 5.65, 5.86 A)
&rst
ixpk= 725, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 6 GLN HA 43 THR HN 6.00 (# 726:10 Unique 4.68, 4.73 A)
&rst
ixpk= 726, nxpk= 10, iat= 100, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HA 43 THR HN 4.30 (# 727:10 Unique 3.60, 3.65 A)
&rst
ixpk= 727, nxpk= 10, iat= 117, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 42 ALA HA 43 THR HN 2.60 (# 728:10 Unique 2.12, 2.16 A)
&rst
ixpk= 728, nxpk= 10, iat= 680, 688, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 43 THR HA 43 THR HN 4.30 (# 729:10 Unique 3.00, 3.01 A)
&rst
ixpk= 729, nxpk= 10, iat= 690, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 43 THR HB 43 THR HN 4.30 (# 730:10 Unique 2.74, 2.80 A)
&rst
ixpk= 730, nxpk= 10, iat= 692, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:731 43 THR HN 6.00 (# 731:10 Single Ambig)
&rst
ixpk= 731, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 89, 90, 89, 90,
&end
#
# 6 GLN HB+ 43 THR HN 4.30 (# 732:10 Unique 3.93, 4.73 A)
&rst
ixpk= 732, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 102, 103,
&end
#
# 6 GLN HG- 43 THR HN 6.00 (# 733:10 Unique 3.64, 4.48 A)
&rst
ixpk= 733, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 105, 106,
&end
#
# 6 GLN HB- 43 THR HN 6.00 (# 734:10 Unique 3.93, 4.73 A)
&rst
ixpk= 734, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 5 LYS HB+ 43 THR HN 6.00 (# 735:10 Unique 3.45, 4.39 A)
&rst
ixpk= 735, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 80, 81,
&end
#
# 0 AMB 10-2:736 43 THR HN 6.00 (# 736:10 Single Ambig)
&rst
ixpk= 736, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 86, 87, 140, 141,
&end
#
# 5 LYS HB- 43 THR HN 6.00 (# 737:10 Unique 3.45, 4.39 A)
&rst
ixpk= 737, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 80, 81,
&end
#
# 43 THR MG2 43 THR HN 4.30 (# 738:10 Unique 4.59, 4.73 A)
&rst
ixpk= 738, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 694, 695, 696,
&end
#
# 42 ALA MB 43 THR HN 2.60 (# 739:10 Unique 2.45, 3.34 A)
&rst
ixpk= 739, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 682, 683, 684,
&end
#
# 5 LYS HG- 43 THR HN 6.00 (# 740:10 Unique 3.27, 4.19 A)
&rst
ixpk= 740, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 43 THR HN 44 LEU HN 6.00 (# 741:10 Unique 4.32, 4.38 A)
&rst
ixpk= 741, nxpk= 10, iat= 688, 702, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 LEU HA 44 LEU HN 4.30 (# 743:10 Unique 2.95, 2.97 A)
&rst
ixpk= 743, nxpk= 10, iat= 704, 702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 43 THR HA 44 LEU HN 2.20 (# 744:10 Unique 2.04, 2.13 A)
&rst
ixpk= 744, nxpk= 10, iat= 690, 702, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 43 THR HB 44 LEU HN 4.30 (# 746:10 Unique 3.63, 3.73 A)
&rst
ixpk= 746, nxpk= 10, iat= 692, 702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:747 44 LEU HN 4.30 (# 747:10 Single Ambig)
&rst
ixpk= 747, nxpk= 10, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 706, 707, 706, 707,
&end
#
# 0 AMB 10-2:748 44 LEU HN 6.00 (# 748:10 Single Ambig)
&rst
ixpk= 748, nxpk= 10, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 80, 81, 42, 43,
&end
#
# 43 THR MG2 44 LEU HN 2.60 (# 749:10 Unique 2.40, 3.21 A)
&rst
ixpk= 749, nxpk= 10, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 694, 695, 696,
&end
#
# 0 AMB 10-2:750 44 LEU HN 4.30 (# 750:10 Single Ambig)
&rst
ixpk= 750, nxpk= 10, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 730, 731, 732, 734, 735, 736, 711, 712, 713, 715,
716, 717, 682, 683, 684,
&end
#
# 44 LEU MDY 44 LEU HN 4.30 (# 751:10 Unique 4.66, 5.30 A)
&rst
ixpk= 751, nxpk= 10, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 711, 712, 713, 715, 716, 717,
&end
#
# 6 GLN HB+ 44 LEU HN 6.00 (# 752:10 Unique 5.08, 6.23 A)
&rst
ixpk= 752, nxpk= 10, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 6 GLN HG- 44 LEU HN 6.00 (# 753:10 Unique 5.98, 6.96 A)
&rst
ixpk= 753, nxpk= 10, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 105, 106,
&end
#
# 0 AMB 10-2:754 44 LEU HN 4.30 (# 754:10 Single Ambig)
&rst
ixpk= 754, nxpk= 10, iat= 728, 702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 6 GLN HN 45 LEU HN 4.30 (# 756:10 Unique 3.99, 4.10 A)
&rst
ixpk= 756, nxpk= 10, iat= 98, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 44 LEU HA 45 LEU HN 2.20 (# 757:10 Unique 2.12, 2.15 A)
&rst
ixpk= 757, nxpk= 10, iat= 704, 721, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 45 LEU HA 45 LEU HN 4.30 (# 758:10 Unique 2.94, 2.96 A)
&rst
ixpk= 758, nxpk= 10, iat= 723, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 3 LYS HA 45 LEU HN 6.00 (# 759:10 Unique 4.74, 5.34 A)
&rst
ixpk= 759, nxpk= 10, iat= 40, 721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 THR HB 45 LEU HN 6.00 (# 760:10 Unique 5.24, 5.41 A)
&rst
ixpk= 760, nxpk= 10, iat= 692, 721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:761 45 LEU HN 6.00 (# 761:10 Single Ambig)
&rst
ixpk= 761, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 742, 743, 742, 743, 62,
&end
#
# 4 VAL HB 45 LEU HN 4.30 (# 762:10 Unique 3.63, 3.86 A)
&rst
ixpk= 762, nxpk= 10, iat= 64, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:763 45 LEU HN 6.00 (# 763:10 Single Ambig)
&rst
ixpk= 763, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 45, 46, 80, 81,
&end
#
# 0 AMB 10-2:764 45 LEU HN 2.60 (# 764:10 Single Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 725, 726, 728,
&end
#
# 0 AMB 10-2:765 45 LEU HN 2.60 (# 765:10 Single Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 725, 726, 709, 706, 707,
&end
#
# 43 THR MG2 45 LEU HN 6.00 (# 766:10 Unique 4.99, 6.12 A)
&rst
ixpk= 766, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 694, 695, 696,
&end
#
# 5 LYS HG- 45 LEU HN 6.00 (# 767:10 Unique 4.42, 4.81 A)
&rst
ixpk= 767, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 44 LEU MDX 45 LEU HN 2.60 (# 768:10 Unique 2.13, 4.44 A)
&rst
ixpk= 768, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 711, 712, 713, 715, 716, 717,
&end
#
# 45 LEU MDX 45 LEU HN 4.30 (# 769:10 Unique 2.59, 4.53 A)
&rst
ixpk= 769, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 730, 731, 732, 734, 735, 736,
&end
#
# 45 LEU HN 46 GLY HN 4.30 (# 770:10 Unique 3.01, 3.99 A)
&rst
ixpk= 770, nxpk= 10, iat= 721, 740, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 44 LEU HA 46 GLY HN 6.00 (# 774:10 Unique 4.07, 5.33 A)
&rst
ixpk= 774, nxpk= 10, iat= 704, 740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HA 46 GLY HN 2.60 (# 776:10 Unique 2.07, 2.23 A)
&rst
ixpk= 776, nxpk= 10, iat= 723, 740, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:778 46 GLY HN 2.20 (# 778:10 Single Ambig)
&rst
ixpk= 778, nxpk= 10, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 742, 743, 742, 743,
&end
#
# 0 AMB 10-2:780 46 GLY HN 6.00 (# 780:10 Single Ambig)
&rst
ixpk= 780, nxpk= 10, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 51, 52, 51, 52,
&end
#
# 4 VAL HB 46 GLY HN 6.00 (# 781:10 Unique 5.76, 6.00 A)
&rst
ixpk= 781, nxpk= 10, iat= 64, 740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HB- 46 GLY HN 4.30 (# 782:10 Unique 2.86, 3.95 A)
&rst
ixpk= 782, nxpk= 10, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 725, 726,
&end
#
# 0 AMB 10-2:783 46 GLY HN 4.30 (# 783:10 Single Ambig)
&rst
ixpk= 783, nxpk= 10, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 709, 725, 726, 706, 707, 706, 707,
&end
#
# 43 THR MG2 46 GLY HN 6.00 (# 784:10 Unique 5.88, 7.41 A)
&rst
ixpk= 784, nxpk= 10, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 694, 695, 696,
&end
#
# 45 LEU MDX 46 GLY HN 4.30 (# 785:10 Unique 3.82, 5.61 A)
&rst
ixpk= 785, nxpk= 10, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 730, 731, 732, 734, 735, 736,
&end
#
# 44 LEU MDY 46 GLY HN 4.30 (# 786:10 Unique 1.92, 5.09 A)
&rst
ixpk= 786, nxpk= 10, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 711, 712, 713, 715, 716, 717,
&end
#
# 29 TRP HN 29 TRP HE1 6.00 (# 787:10 Unique 4.64, 4.68 A)
&rst
ixpk= 787, nxpk= 10, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HD1 29 TRP HE1 2.60 (# 788:10 Unique 2.55, 2.56 A)
&rst
ixpk= 788, nxpk= 10, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 29 TRP HZ2 29 TRP HE1 4.30 (# 789:10 Unique 2.83, 2.85 A)
&rst
ixpk= 789, nxpk= 10, iat= 477, 474, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:790 29 TRP HE1 4.30 (# 790:10 Single Ambig)
&rst
ixpk= 790, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 557, 479,
&end
#
# 0 AMB 10-2:791 29 TRP HE1 6.00 (# 791:10 Single Ambig)
&rst
ixpk= 791, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 466, 138,
&end
#
# 33 TRP HZ3 29 TRP HE1 4.30 (# 792:10 Unique 3.99, 4.07 A)
&rst
ixpk= 792, nxpk= 10, iat= 559, 474, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 THR HA 29 TRP HE1 6.00 (# 793:10 Unique 4.43, 4.54 A)
&rst
ixpk= 793, nxpk= 10, iat= 396, 474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:794 29 TRP HE1 6.00 (# 794:10 Single Ambig)
&rst
ixpk= 794, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 398, 468, 469,
&end
#
# 29 TRP HB- 29 TRP HE1 6.00 (# 795:10 Unique 5.11, 5.16 A)
&rst
ixpk= 795, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 468, 469,
&end
#
# 0 AMB 10-2:796 29 TRP HE1 6.00 (# 796:10 Single Ambig)
&rst
ixpk= 796, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 162, 163, 453, 454, 533, 534,
&end
#
# 0 AMB 10-2:797 29 TRP HE1 4.30 (# 797:10 Single Ambig)
&rst
ixpk= 797, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 453, 454, 456, 457,
&end
#
# 14 GLU HB- 29 TRP HE1 6.00 (# 798:10 Unique 3.10, 3.66 A)
&rst
ixpk= 798, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 229, 230,
&end
#
# 0 AMB 10-2:799 29 TRP HE1 6.00 (# 799:10 Single Ambig)
&rst
ixpk= 799, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 210, 211, 212, 524, 525,
&end
#
# 25 THR MG2 29 TRP HE1 2.60 (# 801:10 Unique 2.47, 2.82 A)
&rst
ixpk= 801, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 400, 401, 402,
&end
#
# 16 ILE MD1 29 TRP HE1 6.00 (# 802:10 Unique 4.31, 5.48 A)
&rst
ixpk= 802, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 41 TRP HN 41 TRP HE1 6.00 (# 803:10 Unique 4.43, 4.51 A)
&rst
ixpk= 803, nxpk= 10, iat= 654, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TRP HD1 41 TRP HE1 2.60 (# 807:10 Unique 2.56, 2.56 A)
&rst
ixpk= 807, nxpk= 10, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 41 TRP HH2 41 TRP HE1 6.00 (# 808:10 Unique 5.05, 5.07 A)
&rst
ixpk= 808, nxpk= 10, iat= 669, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TRP HA 41 TRP HE1 6.00 (# 810:10 Unique 5.02, 5.15 A)
&rst
ixpk= 810, nxpk= 10, iat= 656, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ALA HA 41 TRP HE1 4.30 (# 811:10 Unique)
&rst
ixpk= 811, nxpk= 10, iat= 604, 664, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 ASN HA 41 TRP HE1 6.00 (# 812:10 Unique 5.63, 5.87 A)
&rst
ixpk= 812, nxpk= 10, iat= 160, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PRO HD+ 41 TRP HE1 4.30 (# 813:10 Unique 3.98, 4.58 A)
&rst
ixpk= 813, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 173, 174,
&end
#
# 10 PRO HB+ 41 TRP HE1 6.00 (# 814:10 Unique 5.06, 5.94 A)
&rst
ixpk= 814, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 179, 180,
&end
#
# 37 ALA MB 41 TRP HE1 4.30 (# 815:10 Unique 3.49, 4.63 A)
&rst
ixpk= 815, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 606, 607, 608,
&end
#
# 10 PRO HB- 41 TRP HE1 6.00 (# 816:10 Unique 5.06, 5.94 A)
&rst
ixpk= 816, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 179, 180,
&end
#
# 10 PRO HG+ 41 TRP HE1 4.30 (# 817:10 Unique 3.19, 3.93 A)
&rst
ixpk= 817, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 176, 177,
&end
#
# 10 PRO HD- 41 TRP HE1 6.00 (# 819:10 Unique 3.98, 4.58 A)
&rst
ixpk= 819, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 173, 174,
&end
#
# 10 PRO HG- 41 TRP HE1 4.30 (# 821:10 Unique 3.19, 3.93 A)
&rst
ixpk= 821, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 176, 177,
&end
#
# 41 TRP HB- 41 TRP HE1 6.00 (# 822:10 Unique 4.99, 5.15 A)
&rst
ixpk= 822, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 658, 659,
&end
#
# 0 AMB 10-2:823 15 VAL HN 2.60 (# 823:10 Single Ambig)
&rst
ixpk= 823, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 246, 247, 248, 250, 251, 252, 266, 267,
&end
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