NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
591735 |
2mxe   |
25405 | cing | 1-original | 5 | AMBER | distance | NOE | simple |
# 4 VAL MGY 3 LYS HA 3.50 (# 0:20 Unique 3.06, 5.22 A)
&rst
ixpk= 0, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 3 LYS HG+ 3 LYS HA 2.60 (# 1:20 Unique 2.38, 2.77 A)
&rst
ixpk= 1, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 45, 46,
&end
#
# 0 AMB 20-2:2 0 AMB 20-1:2 2.60 (# 2:20 Double Ambig)
&rst
ixpk= 2, nxpk= 20, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 45, 46,
&end
#
# 0 AMB 20-2:3 0 AMB 20-1:3 2.20 (# 3:20 Double Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 18, 19, 42, 43,
igr2= 16, 40,
&end
#
# 2 ARG HB+ 2 ARG HA 2.20 (# 4:20 Unique 2.36, 2.71 A)
&rst
ixpk= 4, nxpk= 20, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 18, 19,
&end
#
# 4 VAL HN 3 LYS HA 2.20 (# 5:20 Unique 1.95, 2.10 A)
&rst
ixpk= 5, nxpk= 20, iat= 60, 40, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 3 LYS HN 0 AMB 20-1:6 2.60 (# 6:20 Single Ambig)
&rst
ixpk= 6, nxpk= 20, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 16, 40,
&end
#
# 0 AMB 20-2:7 0 AMB 20-1:7 3.50 (# 7:20 Double Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 24, 25, 24, 25,
igr2= 16, 40,
&end
#
# 0 AMB 20-2:10 0 AMB 20-1:10 2.60 (# 10:20 Double Ambig)
&rst
ixpk= 10, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 45, 46,
&end
#
# 0 AMB 20-2:11 0 AMB 20-1:11 2.60 (# 11:20 Double Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 317, 318, 317, 318, 51, 52, 51, 52,
igr2= 311, 312, 311, 312, 45, 46,
&end
#
# 0 AMB 20-2:12 0 AMB 20-1:12 2.20 (# 12:20 Double Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 317, 318, 317, 318, 317, 318,
igr2= 314, 315, 314, 315, 314, 315,
&end
#
# 2 ARG HG- 2 ARG HA 2.20 (# 13:20 Unique 2.30, 2.70 A)
&rst
ixpk= 13, nxpk= 20, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 21, 22,
&end
#
# 0 AMB 20-2:15 0 AMB 20-1:15 2.20 (# 15:20 Double Ambig)
&rst
ixpk= 15, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 382, 383, 382, 383, 382, 383, 48, 49, 48, 49,
48, 49, 437, 438, 437, 438, 382, 383,
igr2= 385, 386, 385, 386, 385, 386, 51, 52, 51, 52,
51, 52, 440, 441, 440, 441, 440, 441,
&end
#
# 0 AMB 20-2:16 0 AMB 20-1:16 2.60 (# 16:20 Double Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 379, 380, 379, 380, 311, 312, 45, 46,
igr2= 385, 386, 385, 386, 317, 318, 317, 318, 51, 52,
51, 52,
&end
#
# 2 ARG HA 2 ARG HB+ 2.60 (# 19:20 Unique 2.36, 2.71 A)
&rst
ixpk= 19, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 18, 19,
&end
#
# 2 ARG HA 2 ARG HB- 2.60 (# 20:20 Unique 2.36, 2.71 A)
&rst
ixpk= 20, nxpk= 20, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 18, 19,
&end
#
# 0 AMB 20-2:21 0 AMB 20-1:21 2.60 (# 21:20 Double Ambig)
&rst
ixpk= 21, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 24, 25, 24, 25,
igr2= 18, 19, 18, 19,
&end
#
# 0 AMB 20-2:22 2 ARG HB- 2.60 (# 22:20 Single Ambig)
&rst
ixpk= 22, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 24, 25, 24, 25,
igr2= 18, 19,
&end
#
# 0 AMB 20-2:23 0 AMB 20-1:23 6.00 (# 23:20 Double Ambig)
&rst
ixpk= 23, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 14, 38,
igr2= 18, 19, 18, 19,
&end
#
# 2 ARG HN 2 ARG HB- 3.50 (# 24:20 Unique 2.42, 3.20 A)
&rst
ixpk= 24, nxpk= 20, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 18, 19,
&end
#
# 0 AMB 20-2:25 0 AMB 20-1:25 3.50 (# 25:20 Double Ambig)
&rst
ixpk= 25, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 16, 6,
igr2= 21, 22, 21, 22,
&end
#
# 0 AMB 20-2:26 2 ARG HG- 2.60 (# 26:20 Single Ambig)
&rst
ixpk= 26, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 16, 6,
igr2= 21, 22,
&end
#
# 0 AMB 20-2:27 2 ARG HG- 2.20 (# 27:20 Single Ambig)
&rst
ixpk= 27, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 24, 25, 24, 25,
igr2= 21, 22,
&end
#
# 0 AMB 20-2:28 0 AMB 20-1:28 2.60 (# 28:20 Double Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 24, 25, 24, 25,
igr2= 21, 22, 21, 22,
&end
#
# 2 ARG HG- 0 AMB 20-1:29 2.20 (# 29:20 Single Ambig)
&rst
ixpk= 29, 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
#
# 2 ARG HB- 0 AMB 20-1:30 2.20 (# 30:20 Single Ambig)
&rst
ixpk= 30, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 18, 19,
igr2= 24, 25, 24, 25,
&end
#
# 0 AMB 20-2:31 0 AMB 20-1:31 2.60 (# 31:20 Double Ambig)
&rst
ixpk= 31, 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
#
# 0 AMB 20-2:32 0 AMB 20-1:32 3.50 (# 32:20 Double Ambig)
&rst
ixpk= 32, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 16, 6,
igr2= 24, 25, 24, 25, 24, 25,
&end
#
# 1 ALA MB 1 ALA HA 2.20 (# 33:20 Unique 2.45, 2.67 A)
&rst
ixpk= 33, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 8, 9, 10,
&end
#
# 0 AMB 20-2:34 1 ALA HA 3.50 (# 34:20 Single Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 42, 43, 21, 22,
&end
#
# 2 ARG HN 1 ALA HA 2.60 (# 35:20 Unique 2.13, 2.47 A)
&rst
ixpk= 35, nxpk= 20, iat= 14, 6, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 1 ALA HA 1 ALA MB 2.60 (# 36:20 Unique 2.45, 2.67 A)
&rst
ixpk= 36, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 8, 9, 10,
&end
#
# 0 AMB 20-2:37 1 ALA MB 3.50 (# 37:20 Single Ambig)
&rst
ixpk= 37, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 14, 2,
igr2= 8, 9, 10,
&end
#
# 0 AMB 20-2:39 0 AMB 20-1:39 2.20 (# 39:20 Double Ambig)
&rst
ixpk= 39, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 21, 22, 48, 49, 48, 49,
igr2= 18, 19, 18, 19, 18, 19,
&end
#
# 0 AMB 20-2:40 2 ARG HB- 2.20 (# 40:20 Single Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 21, 22, 48, 49, 48, 49,
igr2= 18, 19,
&end
#
# 2 ARG HB+ 2 ARG HG- 2.20 (# 41:20 Unique 2.46, 2.77 A)
&rst
ixpk= 41, 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 (# 42:20 Unique 2.46, 2.77 A)
&rst
ixpk= 42, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 18, 19,
igr2= 21, 22,
&end
#
# 0 AMB 20-2:43 3 LYS HA 6.00 (# 43:20 Single Ambig)
&rst
ixpk= 43, nxpk= 20, iat= 64, 40, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 LYS HA 3 LYS HB- 2.60 (# 44:20 Unique 2.53, 2.82 A)
&rst
ixpk= 44, 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 (# 45:20 Unique 2.53, 2.82 A)
&rst
ixpk= 45, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 42, 43,
&end
#
# 4 VAL HN 3 LYS HB+ 3.50 (# 46:20 Unique 2.31, 3.10 A)
&rst
ixpk= 46, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 42, 43,
&end
#
# 4 VAL HN 3 LYS HB- 3.50 (# 47:20 Unique 2.31, 3.10 A)
&rst
ixpk= 47, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 42, 43,
&end
#
# 0 AMB 20-2:48 0 AMB 20-1:48 3.50 (# 48:20 Double Ambig)
&rst
ixpk= 48, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 38, 721,
igr2= 42, 43, 42, 43,
&end
#
# 0 AMB 20-2:49 3 LYS HB- 3.50 (# 49:20 Single Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 38, 721,
igr2= 42, 43,
&end
#
# 0 AMB 20-2:50 0 AMB 20-1:50 2.60 (# 50:20 Double Ambig)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 45, 46, 8, 9, 10,
igr2= 42, 43, 42, 43,
&end
#
# 0 AMB 20-2:51 3 LYS HB- 2.60 (# 51:20 Single Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 45, 46, 8, 9, 10,
igr2= 42, 43,
&end
#
# 3 LYS HG- 3 LYS HB+ 2.20 (# 52:20 Unique 2.29, 2.76 A)
&rst
ixpk= 52, 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 (# 53:20 Unique 2.29, 2.76 A)
&rst
ixpk= 53, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 45, 46,
igr2= 42, 43,
&end
#
# 44 LEU MDY 3 LYS HB- 3.50 (# 54:20 Unique 2.46, 4.67 A)
&rst
ixpk= 54, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 711, 712, 713, 715, 716, 717,
igr2= 42, 43,
&end
#
# 44 LEU MDY 3 LYS HB+ 3.50 (# 55:20 Unique 2.46, 4.67 A)
&rst
ixpk= 55, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 711, 712, 713, 715, 716, 717,
igr2= 42, 43,
&end
#
# 3 LYS HA 3 LYS HG+ 3.50 (# 56:20 Unique 2.38, 2.77 A)
&rst
ixpk= 56, nxpk= 20, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 45, 46,
&end
#
# 0 AMB 20-2:57 0 AMB 20-1:57 3.50 (# 57:20 Double Ambig)
&rst
ixpk= 57, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 51, 52, 51, 52,
igr2= 45, 46, 45, 46,
&end
#
# 0 AMB 20-2:59 0 AMB 20-1:59 2.20 (# 59:20 Double Ambig)
&rst
ixpk= 59, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 308, 309, 431, 432, 431, 432,
igr2= 311, 312, 434, 435,
&end
#
# 3 LYS HB+ 3 LYS HG+ 2.20 (# 60:20 Unique 2.29, 2.76 A)
&rst
ixpk= 60, 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 (# 61:20 Unique 2.29, 2.76 A)
&rst
ixpk= 61, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 42, 43,
igr2= 45, 46,
&end
#
# 0 AMB 20-2:62 0 AMB 20-1:62 2.20 (# 62:20 Double Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 48, 49, 48, 49,
igr2= 45, 46, 45, 46,
&end
#
# 0 AMB 20-2:63 3 LYS HG- 2.20 (# 63:20 Single Ambig)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 48, 49, 48, 49,
igr2= 45, 46,
&end
#
# 0 AMB 20-2:64 0 AMB 20-1:64 2.20 (# 64:20 Double Ambig)
&rst
ixpk= 64, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 385, 386, 385, 386, 385, 386, 51, 52, 51, 52,
51, 52, 440, 441, 440, 441, 440, 441,
igr2= 382, 383, 382, 383, 382, 383, 48, 49, 48, 49,
48, 49, 437, 438, 437, 438, 382, 383,
&end
#
# 0 AMB 20-2:65 0 AMB 20-1:65 2.60 (# 65:20 Double Ambig)
&rst
ixpk= 65, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 379, 380, 45, 46, 45, 46, 8, 9, 10,
igr2= 382, 383, 382, 383, 48, 49, 48, 49, 48, 49,
&end
#
# 0 AMB 20-2:66 0 AMB 20-1:66 2.20 (# 66:20 Double Ambig)
&rst
ixpk= 66, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 379, 380, 379, 380, 45, 46,
igr2= 382, 383, 382, 383, 48, 49, 48, 49,
&end
#
# 4 VAL HN 4 VAL HA 3.50 (# 67:20 Unique 2.92, 2.94 A)
&rst
ixpk= 67, nxpk= 20, iat= 60, 62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 LYS HN 4 VAL HA 2.20 (# 68:20 Unique 2.10, 2.14 A)
&rst
ixpk= 68, nxpk= 20, iat= 76, 62, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 0 AMB 20-2:71 4 VAL HA 3.50 (# 71:20 Single Ambig)
&rst
ixpk= 71, nxpk= 20, iat= 64, 62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 LYS HB- 4 VAL HA 6.00 (# 72:20 Unique 3.07, 4.76 A)
&rst
ixpk= 72, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 308, 309,
&end
#
# 0 AMB 20-2:73 4 VAL HA 6.00 (# 73:20 Single Ambig)
&rst
ixpk= 73, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 80, 81, 42, 43,
&end
#
# 0 AMB 20-2:74 4 VAL HA 2.60 (# 74:20 Single Ambig)
&rst
ixpk= 74, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 311, 312, 311, 312,
&end
#
# 18 THR MG2 4 VAL HA 6.00 (# 75:20 Unique 5.26, 6.34 A)
&rst
ixpk= 75, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 296, 297, 298,
&end
#
# 4 VAL MGX 4 VAL HA 2.20 (# 76:20 Unique 2.40, 3.18 A)
&rst
ixpk= 76, nxpk= 20, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 4 VAL HN 4 VAL HB 2.60 (# 77:20 Unique 1.98, 2.07 A)
&rst
ixpk= 77, nxpk= 20, iat= 60, 64, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:78 0 AMB 20-1:78 3.50 (# 78:20 Double Ambig)
&rst
ixpk= 78, nxpk= 20, iat= 721, 64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:80 0 AMB 20-1:80 6.00 (# 80:20 Double Ambig)
&rst
ixpk= 80, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 40, 723,
&end
#
# 4 VAL HA 0 AMB 20-1:81 3.50 (# 81:20 Single Ambig)
&rst
ixpk= 81, nxpk= 20, iat= 62, 64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:82 0 AMB 20-1:82 6.00 (# 82:20 Double Ambig)
&rst
ixpk= 82, 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
#
# 45 LEU HB+ 4 VAL HB 3.50 (# 83:20 Unique 2.46, 3.52 A)
&rst
ixpk= 83, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 725, 726,
&end
#
# 19 LYS HG+ 19 LYS HB+ 3.50 (# 84:20 Unique 2.31, 2.76 A)
&rst
ixpk= 84, 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 (# 85:20 Unique 2.31, 2.76 A)
&rst
ixpk= 85, 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 20-2:86 0 AMB 20-1:86 2.20 (# 86:20 Double Ambig)
&rst
ixpk= 86, 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
#
# 4 VAL HN 4 VAL MGY 2.60 (# 87:20 Unique 2.77, 4.00 A)
&rst
ixpk= 87, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:88 0 AMB 20-1:88 2.60 (# 88:20 Double Ambig)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 62, 227,
igr2= 66, 67, 68, 70, 71, 72, 246, 247, 248, 250,
251, 252,
&end
#
# 4 VAL HA 4 VAL MGX 2.60 (# 89:20 Unique 2.40, 3.18 A)
&rst
ixpk= 89, 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 20-2:90 0 AMB 20-1:90 2.20 (# 90:20 Double Ambig)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 64, 244, 279, 280, 279, 280,
igr2= 66, 67, 68, 70, 71, 72, 246, 247, 248, 250,
251, 252,
&end
#
# 0 AMB 20-2:91 0 AMB 20-1:91 2.20 (# 91:20 Double Ambig)
&rst
ixpk= 91, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 64, 244, 279, 280, 279, 280,
igr2= 66, 67, 68, 70, 71, 72, 246, 247, 248, 250,
251, 252,
&end
#
# 0 AMB 20-2:92 4 VAL MGX 2.60 (# 92:20 Single Ambig)
&rst
ixpk= 92, 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
#
# 16 ILE HN 15 VAL MGX 2.60 (# 93:20 Unique 2.64, 4.09 A)
&rst
ixpk= 93, 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
#
# 0 AMB 20-2:95 0 AMB 20-1:95 2.60 (# 95:20 Double Ambig)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 105, 106, 282, 283, 282, 283,
igr2= 246, 247, 248, 250, 251, 252, 66, 67, 68, 70,
71, 72,
&end
#
# 5 LYS HN 5 LYS HB+ 2.60 (# 96:20 Unique 2.29, 2.97 A)
&rst
ixpk= 96, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 80, 81,
&end
#
# 5 LYS HN 5 LYS HB- 3.50 (# 97:20 Unique 2.29, 2.97 A)
&rst
ixpk= 97, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:98 0 AMB 20-1:98 3.50 (# 98:20 Double Ambig)
&rst
ixpk= 98, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 98, 688,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:99 5 LYS HB- 3.50 (# 99:20 Single Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 98, 688,
igr2= 80, 81,
&end
#
# 7 TYR HE 5 LYS HB+ 3.50 (# 100:20 Unique 2.48, 4.01 A)
&rst
ixpk= 100, 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 (# 101:20 Unique 2.48, 4.01 A)
&rst
ixpk= 101, 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 HD 5 LYS HB+ 6.00 (# 102:20 Unique 3.64, 5.17 A)
&rst
ixpk= 102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 123, 132,
igr2= 80, 81,
&end
#
# 4 VAL HA 5 LYS HB+ 6.00 (# 105:20 Unique 4.10, 4.92 A)
&rst
ixpk= 105, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:106 0 AMB 20-1:106 6.00 (# 106:20 Double Ambig)
&rst
ixpk= 106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 89, 90, 89, 90,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:107 5 LYS HB- 3.50 (# 107:20 Single Ambig)
&rst
ixpk= 107, 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
#
# 5 LYS HG- 5 LYS HB+ 2.60 (# 108:20 Unique 2.43, 2.76 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 5 LYS HG- 5 LYS HB- 2.60 (# 109:20 Unique 2.43, 2.76 A)
&rst
ixpk= 109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 5 LYS HG+ 5 LYS HB+ 2.60 (# 110:20 Unique 2.43, 2.76 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 5 LYS HG+ 5 LYS HB- 2.20 (# 111:20 Unique 2.43, 2.76 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:112 0 AMB 20-1:112 3.50 (# 112:20 Double Ambig)
&rst
ixpk= 112, 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= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:113 5 LYS HB- 3.50 (# 113:20 Single Ambig)
&rst
ixpk= 113, 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= 80, 81,
&end
#
# 0 AMB 20-2:115 0 AMB 20-1:115 3.50 (# 115:20 Double Ambig)
&rst
ixpk= 115, 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
#
# 0 AMB 20-2:116 5 LYS HG- 6.00 (# 116:20 Single Ambig)
&rst
ixpk= 116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 76, 721,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:117 5 LYS HG- 6.00 (# 117:20 Single Ambig)
&rst
ixpk= 117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 688, 98,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:118 0 AMB 20-1:118 6.00 (# 118:20 Double Ambig)
&rst
ixpk= 118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 688, 98,
igr2= 83, 84, 83, 84,
&end
#
# 44 LEU HA 5 LYS HG- 3.50 (# 119:20 Unique 2.62, 3.34 A)
&rst
ixpk= 119, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 83, 84,
&end
#
# 44 LEU HA 5 LYS HG+ 6.00 (# 120:20 Unique 2.62, 3.34 A)
&rst
ixpk= 120, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:123 0 AMB 20-1:123 3.50 (# 123:20 Double Ambig)
&rst
ixpk= 123, 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 20-2:124 5 LYS HG- 3.50 (# 124:20 Single Ambig)
&rst
ixpk= 124, 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 20-2:125 5 LYS HG- 2.60 (# 125:20 Single Ambig)
&rst
ixpk= 125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 80, 81, 706, 707,
igr2= 83, 84,
&end
#
# 5 LYS HB+ 5 LYS HG- 2.60 (# 126:20 Unique 2.43, 2.76 A)
&rst
ixpk= 126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 80, 81,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:127 5 LYS HG- 3.50 (# 127:20 Single Ambig)
&rst
ixpk= 127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 711, 712, 713, 715, 716, 717, 682, 683, 684,
igr2= 83, 84,
&end
#
# 42 ALA MB 5 LYS HG+ 3.50 (# 128:20 Unique 2.89, 4.65 A)
&rst
ixpk= 128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 682, 683, 684,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:129 0 AMB 20-1:129 6.00 (# 129:20 Double Ambig)
&rst
ixpk= 129, 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
#
# 7 TYR HE 0 AMB 20-1:130 6.00 (# 130:20 Single Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 125, 130,
igr2= 86, 87, 86, 87,
&end
#
# 0 AMB 20-2:132 0 AMB 20-1:132 2.60 (# 132:20 Double Ambig)
&rst
ixpk= 132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 89, 90, 89, 90, 89, 90,
igr2= 86, 87, 86, 87, 86, 87,
&end
#
# 42 ALA MB 0 AMB 20-1:133 2.60 (# 133:20 Single Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 682, 683, 684,
igr2= 86, 87, 86, 87,
&end
#
# 5 LYS HG- 0 AMB 20-1:134 2.60 (# 134:20 Single Ambig)
&rst
ixpk= 134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 83, 84,
igr2= 86, 87, 86, 87,
&end
#
# 0 AMB 20-2:135 0 AMB 20-1:135 2.60 (# 135:20 Double Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 83, 84, 83, 84,
igr2= 86, 87, 86, 87,
&end
#
# 7 TYR HE 0 AMB 20-1:136 6.00 (# 136:20 Single Ambig)
&rst
ixpk= 136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 125, 130,
igr2= 89, 90, 89, 90,
&end
#
# 0 AMB 20-2:137 0 AMB 20-1:137 2.60 (# 137:20 Double Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 83, 84, 83, 84,
igr2= 89, 90, 89, 90,
&end
#
# 0 AMB 20-2:138 0 AMB 20-1:138 3.50 (# 138:20 Double Ambig)
&rst
ixpk= 138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 706, 707, 80, 81,
igr2= 89, 90, 89, 90, 89, 90,
&end
#
# 44 LEU HG 0 AMB 20-1:139 2.60 (# 139:20 Single Ambig)
&rst
ixpk= 139, nxpk= 20, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 89, 90, 89, 90,
&end
#
# 0 AMB 20-2:140 0 AMB 20-1:140 3.50 (# 140:20 Double Ambig)
&rst
ixpk= 140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 80, 81, 80, 81,
igr2= 89, 90, 89, 90,
&end
#
# 0 AMB 20-2:141 0 AMB 20-1:141 2.60 (# 141:20 Double Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 711, 712, 713, 715, 716, 717, 682, 683, 684,
igr2= 89, 90, 89, 90, 89, 90,
&end
#
# 5 LYS HG- 0 AMB 20-1:142 2.60 (# 142:20 Single Ambig)
&rst
ixpk= 142, 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
#
# 6 GLN HB- 6 GLN HA 2.60 (# 143:20 Unique 2.42, 2.75 A)
&rst
ixpk= 143, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 102, 103,
&end
#
# 0 AMB 20-2:144 6 GLN HA 2.60 (# 144:20 Single Ambig)
&rst
ixpk= 144, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 102, 103, 105, 106,
&end
#
# 0 AMB 20-2:145 6 GLN HA 2.60 (# 145:20 Single Ambig)
&rst
ixpk= 145, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 282, 283, 105, 106,
&end
#
# 7 TYR HD 6 GLN HA 3.50 (# 146:20 Unique 3.27, 5.06 A)
&rst
ixpk= 146, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 123, 132,
&end
#
# 7 TYR HN 6 GLN HA 2.20 (# 147:20 Unique 2.24, 2.24 A)
&rst
ixpk= 147, nxpk= 20, iat= 115, 100, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 7 TYR HN 6 GLN HB+ 6.00 (# 148:20 Unique 3.93, 4.11 A)
&rst
ixpk= 148, 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 (# 149:20 Unique 3.93, 4.11 A)
&rst
ixpk= 149, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 102, 103,
&end
#
# 0 AMB 20-2:150 0 AMB 20-1:150 3.50 (# 150:20 Double Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 98, 688,
igr2= 102, 103, 102, 103,
&end
#
# 0 AMB 20-2:151 6 GLN HB- 3.50 (# 151:20 Single Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 98, 688,
igr2= 102, 103,
&end
#
# 6 GLN HE2+ 6 GLN HB+ 6.00 (# 152:20 Unique 2.30, 3.50 A)
&rst
ixpk= 152, 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 (# 153:20 Unique 2.30, 3.50 A)
&rst
ixpk= 153, 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- 2.60 (# 154:20 Unique 2.42, 2.75 A)
&rst
ixpk= 154, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 102, 103,
&end
#
# 6 GLN HA 6 GLN HB+ 2.60 (# 155:20 Unique 2.42, 2.75 A)
&rst
ixpk= 155, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 102, 103,
&end
#
# 6 GLN HG+ 6 GLN HB- 2.60 (# 156:20 Unique 2.45, 2.77 A)
&rst
ixpk= 156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 105, 106,
igr2= 102, 103,
&end
#
# 0 AMB 20-2:157 6 GLN HB- 2.60 (# 157:20 Single Ambig)
&rst
ixpk= 157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 730, 731, 732, 734, 735, 736, 66, 67, 68, 70,
71, 72,
igr2= 102, 103,
&end
#
# 0 AMB 20-2:158 0 AMB 20-1:158 2.60 (# 158:20 Double Ambig)
&rst
ixpk= 158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 730, 731, 732, 734, 735, 736, 66, 67, 68, 70,
71, 72,
igr2= 102, 103, 102, 103,
&end
#
# 7 TYR HN 6 GLN HG+ 6.00 (# 159:20 Unique 2.60, 2.88 A)
&rst
ixpk= 159, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 105, 106,
&end
#
# 7 TYR HN 6 GLN HG- 6.00 (# 160:20 Unique 2.60, 2.88 A)
&rst
ixpk= 160, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:161 0 AMB 20-1:161 6.00 (# 161:20 Double Ambig)
&rst
ixpk= 161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 98, 688,
igr2= 105, 106, 105, 106,
&end
#
# 0 AMB 20-2:162 6 GLN HG- 6.00 (# 162:20 Single Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 98, 688,
igr2= 105, 106,
&end
#
# 6 GLN HE2+ 6 GLN HG+ 2.60 (# 163:20 Unique 2.44, 3.48 A)
&rst
ixpk= 163, 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 (# 164:20 Unique 2.44, 3.48 A)
&rst
ixpk= 164, 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 (# 165:20 Unique 2.44, 3.48 A)
&rst
ixpk= 165, 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- 6.00 (# 166:20 Unique 2.44, 3.48 A)
&rst
ixpk= 166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:167 0 AMB 20-1:167 2.60 (# 167:20 Double Ambig)
&rst
ixpk= 167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 100, 277,
igr2= 105, 106, 105, 106,
&end
#
# 0 AMB 20-2:168 6 GLN HG- 3.50 (# 168:20 Single Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 100, 277,
igr2= 105, 106,
&end
#
# 43 THR HB 6 GLN HG- 6.00 (# 169:20 Unique 4.93, 5.76 A)
&rst
ixpk= 169, nxpk= 20, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 105, 106,
&end
#
# 6 GLN HB- 6 GLN HG+ 2.60 (# 171:20 Unique 2.45, 2.77 A)
&rst
ixpk= 171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 102, 103,
igr2= 105, 106,
&end
#
# 6 GLN HB- 6 GLN HG- 2.20 (# 172:20 Unique 2.45, 2.77 A)
&rst
ixpk= 172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 102, 103,
igr2= 105, 106,
&end
#
# 15 VAL MGX 6 GLN HG+ 2.60 (# 173:20 Unique 2.72, 4.77 A)
&rst
ixpk= 173, 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
#
# 15 VAL MGX 6 GLN HG- 2.60 (# 174:20 Unique 2.72, 4.77 A)
&rst
ixpk= 174, 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
#
# 8 LYS HN 7 TYR HA 3.50 (# 175:20 Unique 2.24, 2.27 A)
&rst
ixpk= 175, nxpk= 20, iat= 136, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 TYR HB- 7 TYR HA 3.50 (# 177:20 Unique 2.46, 2.77 A)
&rst
ixpk= 177, nxpk= 20, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 119, 120,
&end
#
# 7 TYR HB+ 7 TYR HA 6.00 (# 178:20 Unique 2.46, 2.77 A)
&rst
ixpk= 178, nxpk= 20, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 0 AMB 20-2:179 7 TYR HA 6.00 (# 179:20 Single Ambig)
&rst
ixpk= 179, nxpk= 20, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
igr1= 682, 683, 684, 246, 247, 248, 250, 251, 252, 162,
163,
&end
#
# 7 TYR HD 7 TYR HB+ 2.60 (# 182:20 Unique 2.34, 3.07 A)
&rst
ixpk= 182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 123, 132,
igr2= 119, 120,
&end
#
# 7 TYR HD 7 TYR HB- 2.60 (# 184:20 Unique 2.34, 3.07 A)
&rst
ixpk= 184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 123, 132,
igr2= 119, 120,
&end
#
# 7 TYR HN 7 TYR HB+ 3.50 (# 185:20 Unique 2.70, 3.30 A)
&rst
ixpk= 185, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 7 TYR HN 7 TYR HB- 3.50 (# 186:20 Unique 2.70, 3.30 A)
&rst
ixpk= 186, nxpk= 20, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 7 TYR HA 7 TYR HB+ 3.50 (# 187:20 Unique 2.46, 2.77 A)
&rst
ixpk= 187, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 16 ILE HG1- 7 TYR HB+ 3.50 (# 188:20 Unique 2.26, 3.14 A)
&rst
ixpk= 188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 266, 267,
igr2= 119, 120,
&end
#
# 9 ASN HN 8 LYS HA 2.60 (# 189:20 Unique 2.17, 2.22 A)
&rst
ixpk= 189, nxpk= 20, iat= 158, 138, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 8 LYS HN 8 LYS HA 6.00 (# 190:20 Unique 2.97, 2.98 A)
&rst
ixpk= 190, nxpk= 20, iat= 136, 138, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 LYS HB+ 8 LYS HA 3.50 (# 191:20 Unique 2.46, 2.77 A)
&rst
ixpk= 191, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 140, 141,
&end
#
# 8 LYS HB- 8 LYS HA 2.60 (# 192:20 Unique 2.46, 2.77 A)
&rst
ixpk= 192, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 140, 141,
&end
#
# 8 LYS HG+ 8 LYS HA 3.50 (# 193:20 Unique 2.41, 2.87 A)
&rst
ixpk= 193, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 143, 144,
&end
#
# 0 AMB 20-2:194 8 LYS HA 3.50 (# 194:20 Single Ambig)
&rst
ixpk= 194, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 246, 247, 248, 250, 251, 252, 266, 267,
&end
#
# 9 ASN HB- 8 LYS HA 6.00 (# 195:20 Unique 4.13, 4.40 A)
&rst
ixpk= 195, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 162, 163,
&end
#
# 9 ASN HN 8 LYS HB+ 6.00 (# 196:20 Unique 3.83, 4.08 A)
&rst
ixpk= 196, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 140, 141,
&end
#
# 9 ASN HN 8 LYS HB- 6.00 (# 197:20 Unique 3.83, 4.08 A)
&rst
ixpk= 197, 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+ 2.60 (# 198:20 Unique 2.66, 2.94 A)
&rst
ixpk= 198, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 140, 141,
&end
#
# 8 LYS HN 8 LYS HB- 3.50 (# 199:20 Unique 2.66, 2.94 A)
&rst
ixpk= 199, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 140, 141,
&end
#
# 0 AMB 20-2:200 0 AMB 20-1:200 6.00 (# 200:20 Double Ambig)
&rst
ixpk= 200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 117, 656,
igr2= 140, 141, 140, 141,
&end
#
# 0 AMB 20-2:201 8 LYS HB- 6.00 (# 201:20 Single Ambig)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 117, 656,
igr2= 140, 141,
&end
#
# 8 LYS HA 8 LYS HB- 2.60 (# 202:20 Unique 2.46, 2.77 A)
&rst
ixpk= 202, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 140, 141,
&end
#
# 8 LYS HA 8 LYS HB+ 3.50 (# 203:20 Unique 2.46, 2.77 A)
&rst
ixpk= 203, nxpk= 20, iat= 138, -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 (# 204:20 Unique 3.72, 4.41 A)
&rst
ixpk= 204, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 140, 141,
&end
#
# 0 AMB 20-2:205 0 AMB 20-1:205 6.00 (# 205:20 Double Ambig)
&rst
ixpk= 205, 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
#
# 0 AMB 20-2:206 8 LYS HB- 6.00 (# 206:20 Single Ambig)
&rst
ixpk= 206, 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 20-2:207 8 LYS HB- 6.00 (# 207:20 Single Ambig)
&rst
ixpk= 207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 105, 106, 102, 103,
igr2= 140, 141,
&end
#
# 10 PRO HD+ 8 LYS HB+ 3.50 (# 209:20 Unique 3.64, 5.22 A)
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 173, 174,
igr2= 140, 141,
&end
#
# 8 LYS HG- 8 LYS HB+ 2.60 (# 211:20 Unique 2.43, 2.77 A)
&rst
ixpk= 211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 143, 144,
igr2= 140, 141,
&end
#
# 8 LYS HG- 8 LYS HB- 2.60 (# 212:20 Unique 2.43, 2.77 A)
&rst
ixpk= 212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 143, 144,
igr2= 140, 141,
&end
#
# 15 VAL MGY 8 LYS HB- 2.60 (# 213:20 Unique 2.45, 5.00 A)
&rst
ixpk= 213, 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= 140, 141,
&end
#
# 15 VAL MGY 8 LYS HB+ 3.50 (# 214:20 Unique 2.45, 5.00 A)
&rst
ixpk= 214, 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= 140, 141,
&end
#
# 43 THR MG2 8 LYS HB+ 6.00 (# 215:20 Unique 6.31, 7.33 A)
&rst
ixpk= 215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 694, 695, 696,
igr2= 140, 141,
&end
#
# 43 THR MG2 8 LYS HB- 6.00 (# 216:20 Unique 6.31, 7.33 A)
&rst
ixpk= 216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 694, 695, 696,
igr2= 140, 141,
&end
#
# 8 LYS HG+ 8 LYS HB+ 2.60 (# 217:20 Unique 2.43, 2.77 A)
&rst
ixpk= 217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 143, 144,
igr2= 140, 141,
&end
#
# 8 LYS HG+ 8 LYS HB- 2.60 (# 218:20 Unique 2.43, 2.77 A)
&rst
ixpk= 218, 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 (# 219:20 Unique 2.55, 2.82 A)
&rst
ixpk= 219, nxpk= 20, iat= 158, -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 (# 220:20 Unique 2.41, 2.87 A)
&rst
ixpk= 220, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:221 0 AMB 20-1:221 3.50 (# 221:20 Double Ambig)
&rst
ixpk= 221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 149, 150, 149, 150,
igr2= 143, 144, 143, 144, 176, 177,
&end
#
# 8 LYS HB+ 8 LYS HG+ 2.60 (# 222:20 Unique 2.43, 2.77 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 140, 141,
igr2= 143, 144,
&end
#
# 10 PRO HD+ 10 PRO HG+ 3.50 (# 223:20 Unique 2.30, 2.60 A)
&rst
ixpk= 223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 0 AMB 20-2:224 0 AMB 20-1:224 2.20 (# 224:20 Double Ambig)
&rst
ixpk= 224, 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 20-2:225 8 LYS HG- 2.20 (# 225:20 Single Ambig)
&rst
ixpk= 225, 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
#
# 8 LYS HB+ 8 LYS HG- 2.60 (# 226:20 Unique 2.43, 2.77 A)
&rst
ixpk= 226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 140, 141,
igr2= 143, 144,
&end
#
# 8 LYS HA 0 AMB 20-1:227 6.00 (# 227:20 Single Ambig)
&rst
ixpk= 227, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 146, 147, 146, 147,
&end
#
# 0 AMB 20-2:228 0 AMB 20-1:228 2.60 (# 228:20 Double Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 149, 150, 149, 150, 149, 150,
igr2= 146, 147, 146, 147, 146, 147,
&end
#
# 0 AMB 20-2:229 0 AMB 20-1:229 2.20 (# 229:20 Double Ambig)
&rst
ixpk= 229, 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
#
# 0 AMB 20-2:230 0 AMB 20-1:230 2.60 (# 230:20 Double Ambig)
&rst
ixpk= 230, 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
#
# 15 VAL MGY 0 AMB 20-1:231 2.60 (# 231:20 Single Ambig)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 146, 147, 146, 147,
&end
#
# 8 LYS HG- 0 AMB 20-1:232 2.60 (# 232:20 Single Ambig)
&rst
ixpk= 232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 143, 144,
igr2= 146, 147, 146, 147,
&end
#
# 15 VAL MGY 0 AMB 20-1:233 3.50 (# 233:20 Single Ambig)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 246, 247, 248, 250, 251, 252,
igr2= 149, 150, 149, 150,
&end
#
# 8 LYS HG- 0 AMB 20-1:234 3.50 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 143, 144,
igr2= 149, 150, 149, 150,
&end
#
# 0 AMB 20-2:235 0 AMB 20-1:235 3.50 (# 235:20 Double Ambig)
&rst
ixpk= 235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 143, 144, 143, 144, 176, 177,
igr2= 149, 150, 149, 150,
&end
#
# 0 AMB 20-2:236 0 AMB 20-1:236 2.60 (# 236:20 Double Ambig)
&rst
ixpk= 236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 146, 147, 146, 147, 146, 147,
igr2= 149, 150, 149, 150, 149, 150,
&end
#
# 9 ASN HN 9 ASN HA 3.50 (# 237:20 Unique 2.99, 3.01 A)
&rst
ixpk= 237, nxpk= 20, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:238 9 ASN HA 6.00 (# 238:20 Single Ambig)
&rst
ixpk= 238, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 667, 479,
&end
#
# 0 AMB 20-2:240 9 ASN HA 6.00 (# 240:20 Single Ambig)
&rst
ixpk= 240, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 673, 186,
&end
#
# 41 TRP HZ3 9 ASN HA 6.00 (# 241:20 Unique 3.09, 3.34 A)
&rst
ixpk= 241, nxpk= 20, iat= 671, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PRO HD+ 9 ASN HA 2.60 (# 242:20 Unique 2.07, 2.44 A)
&rst
ixpk= 242, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 173, 174,
&end
#
# 9 ASN HB+ 9 ASN HA 3.50 (# 243:20 Unique 2.42, 2.74 A)
&rst
ixpk= 243, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 162, 163,
&end
#
# 0 AMB 20-2:244 9 ASN HA 6.00 (# 244:20 Single Ambig)
&rst
ixpk= 244, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 143, 144, 176, 177, 210, 211, 212,
&end
#
# 9 ASN HB- 9 ASN HA 2.60 (# 245:20 Unique 2.42, 2.74 A)
&rst
ixpk= 245, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 162, 163,
&end
#
# 10 PRO HD- 9 ASN HA 2.60 (# 246:20 Unique 2.07, 2.44 A)
&rst
ixpk= 246, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 173, 174,
&end
#
# 10 PRO HG- 9 ASN HA 6.00 (# 247:20 Unique 4.21, 4.56 A)
&rst
ixpk= 247, nxpk= 20, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 176, 177,
&end
#
# 13 GLY HN 9 ASN HB+ 6.00 (# 248:20 Unique 3.47, 4.55 A)
&rst
ixpk= 248, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:249 9 ASN HB- 6.00 (# 249:20 Single Ambig)
&rst
ixpk= 249, 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
#
# 9 ASN HN 9 ASN HB- 3.50 (# 250:20 Unique 2.54, 2.77 A)
&rst
ixpk= 250, 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+ 2.60 (# 251:20 Unique 2.54, 2.77 A)
&rst
ixpk= 251, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 162, 163,
&end
#
# 29 TRP HZ2 9 ASN HB+ 6.00 (# 252:20 Unique 3.69, 3.93 A)
&rst
ixpk= 252, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 162, 163,
&end
#
# 29 TRP HZ2 9 ASN HB- 6.00 (# 253:20 Unique 3.69, 3.93 A)
&rst
ixpk= 253, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:254 0 AMB 20-1:254 3.50 (# 254:20 Double Ambig)
&rst
ixpk= 254, 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
#
# 12 THR HN 9 ASN HB+ 6.00 (# 255:20 Unique 3.45, 4.25 A)
&rst
ixpk= 255, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:256 9 ASN HB- 3.50 (# 256:20 Single Ambig)
&rst
ixpk= 256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 479, 667,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:257 0 AMB 20-1:257 3.50 (# 257:20 Double Ambig)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 479, 667,
igr2= 162, 163, 162, 163,
&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= 138, 466,
igr2= 162, 163, 162, 163,
&end
#
# 9 ASN HA 9 ASN HB+ 3.50 (# 260:20 Unique 2.42, 2.74 A)
&rst
ixpk= 260, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 162, 163,
&end
#
# 14 GLU HB+ 9 ASN HB+ 6.00 (# 261:20 Unique 2.41, 3.62 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 229, 230,
igr2= 162, 163,
&end
#
# 14 GLU HB- 9 ASN HB+ 3.50 (# 262:20 Unique 2.41, 3.62 A)
&rst
ixpk= 262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 229, 230,
igr2= 162, 163,
&end
#
# 0 AMB 20-2:263 0 AMB 20-1:263 6.00 (# 263:20 Double Ambig)
&rst
ixpk= 263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 210, 211, 212, 176, 177,
igr2= 162, 163, 162, 163,
&end
#
# 0 AMB 20-2:264 9 ASN HB- 6.00 (# 264:20 Single Ambig)
&rst
ixpk= 264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 138, 466,
igr2= 162, 163,
&end
#
# 9 ASN HA 9 ASN HB- 3.50 (# 266:20 Unique 2.42, 2.74 A)
&rst
ixpk= 266, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 162, 163,
&end
#
# 14 GLU HB+ 9 ASN HB- 6.00 (# 267:20 Unique 2.41, 3.62 A)
&rst
ixpk= 267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 229, 230,
igr2= 162, 163,
&end
#
# 14 GLU HB- 9 ASN HB- 6.00 (# 268:20 Unique 2.41, 3.62 A)
&rst
ixpk= 268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 229, 230,
igr2= 162, 163,
&end
#
# 10 PRO HG- 10 PRO HA 6.00 (# 269:20 Unique 2.80, 3.48 A)
&rst
ixpk= 269, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 176, 177,
&end
#
# 10 PRO HD- 10 PRO HA 6.00 (# 270:20 Unique 3.38, 3.69 A)
&rst
ixpk= 270, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 173, 174,
&end
#
# 8 LYS HG- 10 PRO HA 6.00 (# 271:20 Unique 3.65, 4.67 A)
&rst
ixpk= 271, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 143, 144,
&end
#
# 0 AMB 20-2:272 10 PRO HA 6.00 (# 272:20 Single Ambig)
&rst
ixpk= 272, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 176, 177, 143, 144,
&end
#
# 10 PRO HB- 10 PRO HA 2.60 (# 273:20 Unique 2.26, 2.66 A)
&rst
ixpk= 273, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 179, 180,
&end
#
# 0 AMB 20-2:274 10 PRO HA 6.00 (# 274:20 Single Ambig)
&rst
ixpk= 274, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 146, 147, 146, 147,
&end
#
# 10 PRO HB+ 10 PRO HA 2.60 (# 275:20 Unique 2.26, 2.66 A)
&rst
ixpk= 275, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 179, 180,
&end
#
# 10 PRO HD+ 10 PRO HA 6.00 (# 276:20 Unique 3.38, 3.69 A)
&rst
ixpk= 276, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 173, 174,
&end
#
# 0 AMB 20-2:278 10 PRO HA 6.00 (# 278:20 Single Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 149, 150, 149, 150,
&end
#
# 11 HIS HN 10 PRO HA 6.00 (# 279:20 Unique 3.46, 3.54 A)
&rst
ixpk= 279, nxpk= 20, iat= 186, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 GLY HN 10 PRO HA 6.00 (# 280:20 Unique 3.04, 3.51 A)
&rst
ixpk= 280, nxpk= 20, iat= 218, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 GLY HA+ 10 PRO HA 6.00 (# 281:20 Unique 3.07, 4.48 A)
&rst
ixpk= 281, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 220, 221,
&end
#
# 10 PRO HA 10 PRO HB- 2.60 (# 282:20 Unique 2.26, 2.66 A)
&rst
ixpk= 282, 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 (# 283:20 Unique 2.26, 2.66 A)
&rst
ixpk= 283, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 179, 180,
&end
#
# 11 HIS HN 10 PRO HB- 6.00 (# 284:20 Unique 3.02, 3.77 A)
&rst
ixpk= 284, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 179, 180,
&end
#
# 10 PRO HD+ 10 PRO HB+ 3.50 (# 285:20 Unique 2.82, 3.69 A)
&rst
ixpk= 285, 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 HD+ 10 PRO HB- 3.50 (# 286:20 Unique 2.82, 3.69 A)
&rst
ixpk= 286, 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 (# 291:20 Unique 2.38, 2.63 A)
&rst
ixpk= 291, 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 (# 292:20 Unique 2.82, 3.69 A)
&rst
ixpk= 292, 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 (# 293:20 Unique 2.82, 3.69 A)
&rst
ixpk= 293, 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 (# 294:20 Unique 2.38, 2.63 A)
&rst
ixpk= 294, 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 (# 295:20 Unique 2.38, 2.63 A)
&rst
ixpk= 295, 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 (# 296:20 Unique 2.38, 2.63 A)
&rst
ixpk= 296, 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 HG- 3.50 (# 297:20 Unique 2.30, 2.60 A)
&rst
ixpk= 297, 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 (# 298:20 Unique 2.38, 2.63 A)
&rst
ixpk= 298, 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 HB- 10 PRO HG- 3.50 (# 299:20 Unique 2.38, 2.63 A)
&rst
ixpk= 299, 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- 3.50 (# 300:20 Unique 2.30, 2.60 A)
&rst
ixpk= 300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 11 HIS HN 10 PRO HG- 6.00 (# 301:20 Unique 3.03, 4.60 A)
&rst
ixpk= 301, nxpk= 20, iat= 186, -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 (# 302:20 Unique 3.52, 4.77 A)
&rst
ixpk= 302, nxpk= 20, iat= 664, -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 (# 303:20 Unique 2.80, 3.48 A)
&rst
ixpk= 303, nxpk= 20, iat= 182, -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 (# 304:20 Unique 4.21, 4.56 A)
&rst
ixpk= 304, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 0 AMB 20-2:305 0 AMB 20-1:305 3.50 (# 305:20 Double Ambig)
&rst
ixpk= 305, 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
#
# 10 PRO HB- 10 PRO HG+ 2.60 (# 306:20 Unique 2.38, 2.63 A)
&rst
ixpk= 306, 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 HD- 0 AMB 20-1:307 3.50 (# 307:20 Single Ambig)
&rst
ixpk= 307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 173, 174,
igr2= 176, 177, 143, 144,
&end
#
# 15 VAL MGY 8 LYS HG+ 2.60 (# 309:20 Unique 2.29, 4.99 A)
&rst
ixpk= 309, 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= 143, 144,
&end
#
# 10 PRO HG- 10 PRO HD+ 3.50 (# 311:20 Unique 2.30, 2.60 A)
&rst
ixpk= 311, 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 (# 312:20 Unique 2.30, 2.60 A)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
igr2= 173, 174,
&end
#
# 8 LYS HG- 10 PRO HD- 3.50 (# 314:20 Unique 2.72, 4.57 A)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 143, 144,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:315 0 AMB 20-1:315 3.50 (# 315:20 Double Ambig)
&rst
ixpk= 315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 176, 177, 143, 144,
igr2= 173, 174, 173, 174,
&end
#
# 0 AMB 20-2:316 10 PRO HD- 3.50 (# 316:20 Single Ambig)
&rst
ixpk= 316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 176, 177, 143, 144,
igr2= 173, 174,
&end
#
# 10 PRO HB- 10 PRO HD- 6.00 (# 317:20 Unique 2.82, 3.69 A)
&rst
ixpk= 317, 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 (# 318:20 Unique 2.82, 3.69 A)
&rst
ixpk= 318, 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 (# 319:20 Unique 2.82, 3.69 A)
&rst
ixpk= 319, 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 (# 320:20 Unique 2.82, 3.69 A)
&rst
ixpk= 320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 179, 180,
igr2= 173, 174,
&end
#
# 8 LYS HG- 10 PRO HD+ 3.50 (# 321:20 Unique 2.72, 4.57 A)
&rst
ixpk= 321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 143, 144,
igr2= 173, 174,
&end
#
# 9 ASN HA 10 PRO HD+ 2.60 (# 323:20 Unique 2.07, 2.44 A)
&rst
ixpk= 323, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 173, 174,
&end
#
# 10 PRO HA 10 PRO HD+ 6.00 (# 324:20 Unique 3.38, 3.69 A)
&rst
ixpk= 324, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 173, 174,
&end
#
# 11 HIS HN 10 PRO HD+ 6.00 (# 325:20 Unique 3.17, 3.81 A)
&rst
ixpk= 325, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 173, 174,
&end
#
# 9 ASN HA 10 PRO HD- 2.60 (# 326:20 Unique 2.07, 2.44 A)
&rst
ixpk= 326, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 173, 174,
&end
#
# 11 HIS HN 10 PRO HD- 3.50 (# 327:20 Unique 3.17, 3.81 A)
&rst
ixpk= 327, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 173, 174,
&end
#
# 10 PRO HA 10 PRO HD- 6.00 (# 328:20 Unique 3.38, 3.69 A)
&rst
ixpk= 328, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 173, 174,
&end
#
# 11 HIS HN 11 HIS HA 3.50 (# 330:20 Unique 2.87, 2.91 A)
&rst
ixpk= 330, nxpk= 20, iat= 186, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 THR HN 11 HIS HA 6.00 (# 331:20 Unique 3.47, 3.51 A)
&rst
ixpk= 331, nxpk= 20, iat= 204, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 HIS HB+ 11 HIS HA 2.60 (# 332:20 Unique 2.43, 2.77 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 190, 191,
&end
#
# 11 HIS HB- 11 HIS HA 2.60 (# 333:20 Unique 2.43, 2.77 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 190, 191,
&end
#
# 12 THR MG2 11 HIS HA 6.00 (# 334:20 Unique 4.66, 5.44 A)
&rst
ixpk= 334, nxpk= 20, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 210, 211, 212,
&end
#
# 33 TRP HZ2 11 HIS HB+ 6.00 (# 335:20 Unique 2.90, 3.55 A)
&rst
ixpk= 335, nxpk= 20, iat= 555, -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 (# 336:20 Unique 2.90, 3.55 A)
&rst
ixpk= 336, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 190, 191,
&end
#
# 11 HIS HN 11 HIS HB- 3.50 (# 337:20 Unique 2.35, 2.98 A)
&rst
ixpk= 337, 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+ 3.50 (# 338:20 Unique 2.35, 2.98 A)
&rst
ixpk= 338, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 190, 191,
&end
#
# 12 THR HN 11 HIS HB+ 3.50 (# 339:20 Unique 2.91, 3.58 A)
&rst
ixpk= 339, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 190, 191,
&end
#
# 12 THR HN 11 HIS HB- 6.00 (# 340:20 Unique 2.91, 3.58 A)
&rst
ixpk= 340, 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+ 2.60 (# 343:20 Unique 2.43, 2.77 A)
&rst
ixpk= 343, nxpk= 20, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 190, 191,
&end
#
# 11 HIS HA 11 HIS HB- 3.50 (# 344:20 Unique 2.43, 2.77 A)
&rst
ixpk= 344, nxpk= 20, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 190, 191,
&end
#
# 12 THR MG2 11 HIS HB+ 3.50 (# 347:20 Unique 2.59, 4.16 A)
&rst
ixpk= 347, 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
#
# 12 THR MG2 11 HIS HB- 3.50 (# 348:20 Unique 2.59, 4.16 A)
&rst
ixpk= 348, 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 (# 349:20 Unique 3.46, 3.49 A)
&rst
ixpk= 349, nxpk= 20, iat= 218, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HN 12 THR HA 3.50 (# 350:20 Unique 3.00, 3.01 A)
&rst
ixpk= 350, 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 (# 351:20 Unique 2.40, 2.42 A)
&rst
ixpk= 351, nxpk= 20, iat= 208, 206, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 12 THR MG2 12 THR HA 2.60 (# 352:20 Unique 2.57, 3.21 A)
&rst
ixpk= 352, 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 (# 353:20 Unique 4.01, 4.08 A)
&rst
ixpk= 353, nxpk= 20, iat= 218, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HN 12 THR HB 3.50 (# 354:20 Unique 3.29, 3.49 A)
&rst
ixpk= 354, nxpk= 20, iat= 225, 208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 THR HN 12 THR HB 6.00 (# 355:20 Unique 3.78, 3.79 A)
&rst
ixpk= 355, 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 (# 358:20 Unique 2.40, 2.42 A)
&rst
ixpk= 358, nxpk= 20, iat= 206, 208, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:359 12 THR HB 3.50 (# 359:20 Single Ambig)
&rst
ixpk= 359, 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 (# 361:20 Unique 3.59, 4.80 A)
&rst
ixpk= 361, 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 (# 362:20 Unique 2.43, 2.67 A)
&rst
ixpk= 362, nxpk= 20, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 210, 211, 212,
&end
#
# 12 THR HN 12 THR MG2 2.60 (# 363:20 Unique 2.74, 3.56 A)
&rst
ixpk= 363, 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 (# 365:20 Unique 2.57, 3.21 A)
&rst
ixpk= 365, 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 (# 366:20 Unique 2.43, 2.67 A)
&rst
ixpk= 366, 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 (# 368:20 Unique 2.59, 4.16 A)
&rst
ixpk= 368, 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 (# 369:20 Unique 2.59, 4.16 A)
&rst
ixpk= 369, 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
#
# 13 GLY HN 13 GLY HA+ 2.60 (# 370:20 Unique 2.34, 2.67 A)
&rst
ixpk= 370, 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 (# 371:20 Unique 2.34, 2.67 A)
&rst
ixpk= 371, 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 (# 372:20 Unique 3.21, 3.35 A)
&rst
ixpk= 372, 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 (# 373:20 Unique 3.21, 3.35 A)
&rst
ixpk= 373, 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 (# 374:20 Unique 4.29, 4.57 A)
&rst
ixpk= 374, 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 (# 375:20 Unique 4.29, 4.57 A)
&rst
ixpk= 375, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 220, 221,
&end
#
# 12 THR HA 13 GLY HA+ 6.00 (# 378:20 Unique 4.65, 4.94 A)
&rst
ixpk= 378, nxpk= 20, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 220, 221,
&end
#
# 12 THR HA 13 GLY HA- 6.00 (# 379:20 Unique 4.65, 4.94 A)
&rst
ixpk= 379, nxpk= 20, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:380 0 AMB 20-1:380 3.50 (# 380:20 Double Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 149, 150, 149, 150,
igr2= 220, 221, 220, 221,
&end
#
# 0 AMB 20-2:381 13 GLY HA- 3.50 (# 381:20 Single Ambig)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 149, 150, 149, 150,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:382 13 GLY HA- 6.00 (# 382:20 Single Ambig)
&rst
ixpk= 382, 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 20-2:383 0 AMB 20-1:383 6.00 (# 383:20 Double Ambig)
&rst
ixpk= 383, 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 20-2:384 13 GLY HA- 6.00 (# 384:20 Single Ambig)
&rst
ixpk= 384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 143, 144, 176, 177,
igr2= 220, 221,
&end
#
# 15 VAL MGY 13 GLY HA- 6.00 (# 385:20 Unique 5.37, 7.90 A)
&rst
ixpk= 385, 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= 220, 221,
&end
#
# 8 LYS HG- 13 GLY HA- 6.00 (# 386:20 Unique 4.19, 5.36 A)
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 143, 144,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:387 0 AMB 20-1:387 6.00 (# 387:20 Double Ambig)
&rst
ixpk= 387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 143, 144, 176, 177,
igr2= 220, 221, 220, 221,
&end
#
# 15 VAL MGY 13 GLY HA+ 6.00 (# 388:20 Unique 5.37, 7.90 A)
&rst
ixpk= 388, 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= 220, 221,
&end
#
# 0 AMB 20-2:389 0 AMB 20-1:389 6.00 (# 389:20 Double Ambig)
&rst
ixpk= 389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 143, 144, 162, 163,
igr2= 220, 221, 220, 221,
&end
#
# 15 VAL MGY 14 GLU HA 3.50 (# 390:20 Unique 3.57, 5.59 A)
&rst
ixpk= 390, 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
#
# 15 VAL HB 14 GLU HA 6.00 (# 391:20 Unique 4.00, 4.48 A)
&rst
ixpk= 391, nxpk= 20, iat= 244, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HB- 14 GLU HA 2.60 (# 392:20 Unique 2.70, 2.86 A)
&rst
ixpk= 392, 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 2.60 (# 393:20 Unique 2.70, 2.86 A)
&rst
ixpk= 393, nxpk= 20, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 229, 230,
&end
#
# 0 AMB 20-2:394 14 GLU HA 2.60 (# 394:20 Single Ambig)
&rst
ixpk= 394, nxpk= 20, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 232, 233, 232, 233,
&end
#
# 29 TRP HZ2 14 GLU HA 6.00 (# 396:20 Unique 4.89, 4.94 A)
&rst
ixpk= 396, nxpk= 20, iat= 477, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HN 14 GLU HA 3.50 (# 397:20 Unique 2.77, 2.85 A)
&rst
ixpk= 397, nxpk= 20, iat= 225, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 VAL HN 14 GLU HA 2.20 (# 398:20 Unique 2.11, 2.18 A)
&rst
ixpk= 398, nxpk= 20, iat= 240, 227, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 15 VAL HN 14 GLU HB+ 3.50 (# 399:20 Unique 2.82, 3.51 A)
&rst
ixpk= 399, 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 (# 400:20 Unique 2.82, 3.51 A)
&rst
ixpk= 400, 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 (# 401:20 Unique 2.14, 2.82 A)
&rst
ixpk= 401, 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+ 2.60 (# 402:20 Unique 2.26, 2.54 A)
&rst
ixpk= 402, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 229, 230,
&end
#
# 29 TRP HZ2 14 GLU HB- 2.60 (# 403:20 Unique 2.26, 2.54 A)
&rst
ixpk= 403, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 229, 230,
&end
#
# 14 GLU HN 14 GLU HB- 2.60 (# 404:20 Unique 2.14, 2.82 A)
&rst
ixpk= 404, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 229, 230,
&end
#
# 29 TRP HH2 14 GLU HB- 3.50 (# 405:20 Unique 2.14, 2.74 A)
&rst
ixpk= 405, 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 (# 406:20 Unique 2.14, 2.74 A)
&rst
ixpk= 406, 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 (# 407:20 Unique 2.70, 2.86 A)
&rst
ixpk= 407, 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 (# 408:20 Unique 2.70, 2.86 A)
&rst
ixpk= 408, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 229, 230,
&end
#
# 0 AMB 20-2:409 0 AMB 20-1:409 2.20 (# 409:20 Double Ambig)
&rst
ixpk= 409, 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 20-2:410 14 GLU HB- 2.20 (# 410:20 Single Ambig)
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 232, 233, 232, 233,
igr2= 229, 230,
&end
#
# 0 AMB 20-2:413 0 AMB 20-1:413 6.00 (# 413:20 Double Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 262, 263, 264, 400, 401, 402,
igr2= 229, 230, 229, 230,
&end
#
# 8 LYS HG- 14 GLU HB+ 6.00 (# 414:20 Unique 5.54, 6.21 A)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 143, 144,
igr2= 229, 230,
&end
#
# 0 AMB 20-2:415 0 AMB 20-1:415 6.00 (# 415:20 Double Ambig)
&rst
ixpk= 415, 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
#
# 12 THR MG2 14 GLU HB+ 6.00 (# 416:20 Unique 4.44, 5.87 A)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 210, 211, 212,
igr2= 229, 230,
&end
#
# 0 AMB 20-2:417 0 AMB 20-1:417 2.60 (# 417:20 Double Ambig)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 587, 240,
igr2= 594, 595, 232, 233, 232, 233,
&end
#
# 37 ALA HN 36 GLU HG+ 6.00 (# 418:20 Unique 4.40, 4.71 A)
&rst
ixpk= 418, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 594, 595,
&end
#
# 14 GLU HN 0 AMB 20-1:419 2.60 (# 419:20 Single Ambig)
&rst
ixpk= 419, 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 20-1:420 3.50 (# 420:20 Single Ambig)
&rst
ixpk= 420, 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 20-1:421 3.50 (# 421:20 Single Ambig)
&rst
ixpk= 421, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 232, 233, 232, 233,
&end
#
# 12 THR HB 0 AMB 20-1:422 3.50 (# 422:20 Single Ambig)
&rst
ixpk= 422, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 232, 233, 232, 233,
&end
#
# 14 GLU HA 0 AMB 20-1:423 2.60 (# 423:20 Single Ambig)
&rst
ixpk= 423, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 232, 233, 232, 233,
&end
#
# 36 GLU HA 36 GLU HG+ 3.50 (# 424:20 Unique 2.44, 2.81 A)
&rst
ixpk= 424, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 594, 595,
&end
#
# 0 AMB 20-2:425 0 AMB 20-1:425 2.20 (# 425:20 Double Ambig)
&rst
ixpk= 425, 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
#
# 0 AMB 20-2:426 0 AMB 20-1:426 2.20 (# 426:20 Double Ambig)
&rst
ixpk= 426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 229, 230, 229, 230, 577, 578,
igr2= 232, 233, 232, 233, 594, 595,
&end
#
# 0 AMB 20-2:427 0 AMB 20-1:427 3.50 (# 427:20 Double Ambig)
&rst
ixpk= 427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 262, 263, 264,
igr2= 232, 233, 232, 233,
&end
#
# 16 ILE HN 15 VAL HA 2.20 (# 428:20 Unique 2.20, 2.21 A)
&rst
ixpk= 428, nxpk= 20, iat= 256, 242, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 9 ASN HN 15 VAL HA 6.00 (# 429:20 Unique 3.57, 3.66 A)
&rst
ixpk= 429, nxpk= 20, iat= 158, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HN 15 VAL HA 3.50 (# 430:20 Unique 2.94, 2.96 A)
&rst
ixpk= 430, 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 (# 431:20 Unique 2.95, 3.05 A)
&rst
ixpk= 431, 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 (# 432:20 Unique 2.22, 2.27 A)
&rst
ixpk= 432, nxpk= 20, iat= 138, 242, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 15 VAL HB 15 VAL HA 3.50 (# 434:20 Unique 2.53, 2.97 A)
&rst
ixpk= 434, nxpk= 20, iat= 244, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 VAL MGX 15 VAL HA 2.60 (# 436:20 Unique 2.42, 3.22 A)
&rst
ixpk= 436, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 0 AMB 20-2:437 15 VAL HA 2.60 (# 437:20 Single Ambig)
&rst
ixpk= 437, 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
#
# 16 ILE HN 15 VAL HB 6.00 (# 438:20 Unique 3.93, 3.99 A)
&rst
ixpk= 438, nxpk= 20, iat= 256, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HN 15 VAL HB 2.60 (# 439:20 Unique 2.63, 2.65 A)
&rst
ixpk= 439, 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 (# 440:20 Unique 2.53, 2.97 A)
&rst
ixpk= 440, nxpk= 20, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 GLU HA 15 VAL HB 6.00 (# 441:20 Unique 4.00, 4.48 A)
&rst
ixpk= 441, nxpk= 20, iat= 227, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL MGX 15 VAL HB 2.20 (# 443:20 Unique 2.39, 2.65 A)
&rst
ixpk= 443, 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 (# 444:20 Unique 2.39, 2.65 A)
&rst
ixpk= 444, 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
#
# 0 AMB 20-2:445 0 AMB 20-1:445 2.60 (# 445:20 Double Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 242, 277,
igr2= 246, 247, 248, 250, 251, 252, 66, 67, 68, 70,
71, 72,
&end
#
# 0 AMB 20-2:446 0 AMB 20-1:446 2.60 (# 446:20 Double Ambig)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 242, 277, 100,
igr2= 246, 247, 248, 250, 251, 252, 66, 67, 68, 70,
71, 72,
&end
#
# 8 LYS HA 15 VAL MGY 3.50 (# 447:20 Unique 2.94, 4.34 A)
&rst
ixpk= 447, 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 MGX 3.50 (# 448:20 Unique 2.94, 4.34 A)
&rst
ixpk= 448, 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
#
# 15 VAL HN 15 VAL MGY 2.60 (# 449:20 Unique 2.19, 4.14 A)
&rst
ixpk= 449, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 15 VAL HN 15 VAL MGX 6.00 (# 450:20 Unique 2.19, 4.14 A)
&rst
ixpk= 450, 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
#
# 16 ILE HN 15 VAL MGY 3.50 (# 451:20 Unique 2.64, 4.09 A)
&rst
ixpk= 451, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 17 GLU HN 16 ILE HA 6.00 (# 452:20 Unique 2.30, 2.32 A)
&rst
ixpk= 452, nxpk= 20, iat= 275, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ILE HN 16 ILE HB 6.00 (# 453:20 Unique 3.90, 3.92 A)
&rst
ixpk= 453, nxpk= 20, iat= 256, 260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 GLU HN 16 ILE HB 2.60 (# 454:20 Unique 2.30, 2.34 A)
&rst
ixpk= 454, nxpk= 20, iat= 275, 260, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:455 16 ILE HB 6.00 (# 455:20 Single Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 123, 132, 479,
&end
#
# 0 AMB 20-2:456 16 ILE HB 6.00 (# 456:20 Single Ambig)
&rst
ixpk= 456, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 277, 100, 242,
&end
#
# 7 TYR HB+ 16 ILE HB 6.00 (# 458:20 Unique 4.67, 5.53 A)
&rst
ixpk= 458, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 0 AMB 20-2:459 16 ILE HB 6.00 (# 459:20 Single Ambig)
&rst
ixpk= 459, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 279, 280, 279, 280, 244,
&end
#
# 16 ILE HG1- 16 ILE HB 2.60 (# 461:20 Unique 2.41, 2.74 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 266, 267,
&end
#
# 16 ILE HG1+ 16 ILE HB 3.50 (# 462:20 Unique 2.41, 2.74 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 266, 267,
&end
#
# 16 ILE MG2 16 ILE HB 2.60 (# 463:20 Unique 2.39, 2.64 A)
&rst
ixpk= 463, 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 3.50 (# 464:20 Unique 2.60, 3.22 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 269, 270, 271,
&end
#
# 7 TYR HN 16 ILE HG1- 6.00 (# 465:20 Unique 3.16, 3.54 A)
&rst
ixpk= 465, 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 (# 466:20 Unique 3.16, 3.54 A)
&rst
ixpk= 466, 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 (# 467:20 Unique 2.46, 2.83 A)
&rst
ixpk= 467, 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 (# 468:20 Unique 2.46, 2.83 A)
&rst
ixpk= 468, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 266, 267,
&end
#
# 17 GLU HN 16 ILE HG1+ 6.00 (# 469:20 Unique 3.61, 4.18 A)
&rst
ixpk= 469, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 266, 267,
&end
#
# 17 GLU HN 16 ILE HG1- 6.00 (# 470:20 Unique 3.61, 4.18 A)
&rst
ixpk= 470, nxpk= 20, iat= 275, -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 (# 471:20 Unique 4.41, 5.35 A)
&rst
ixpk= 471, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 266, 267,
&end
#
# 7 TYR HD 16 ILE HG1- 3.50 (# 472:20 Unique 2.69, 4.66 A)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 123, 132,
igr2= 266, 267,
&end
#
# 29 TRP HH2 16 ILE HG1+ 3.50 (# 473:20 Unique 2.77, 3.74 A)
&rst
ixpk= 473, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 266, 267,
&end
#
# 0 AMB 20-2:474 16 ILE HG1- 6.00 (# 474:20 Single Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 242, 277, 100,
igr2= 266, 267,
&end
#
# 0 AMB 20-2:475 0 AMB 20-1:475 6.00 (# 475:20 Double Ambig)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 242, 277,
igr2= 266, 267, 266, 267,
&end
#
# 7 TYR HB+ 16 ILE HG1- 3.50 (# 478:20 Unique 2.26, 3.14 A)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 119, 120,
igr2= 266, 267,
&end
#
# 7 TYR HB+ 16 ILE HG1+ 3.50 (# 479:20 Unique 2.26, 3.14 A)
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 119, 120,
igr2= 266, 267,
&end
#
# 7 TYR HB- 16 ILE HG1+ 6.00 (# 480:20 Unique 2.26, 3.14 A)
&rst
ixpk= 480, 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 (# 481:20 Unique 2.26, 3.14 A)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 119, 120,
igr2= 266, 267,
&end
#
# 16 ILE HB 16 ILE HG1+ 3.50 (# 483:20 Unique 2.41, 2.74 A)
&rst
ixpk= 483, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 266, 267,
&end
#
# 0 AMB 20-2:488 26 LEU HG 2.60 (# 488:20 Single Ambig)
&rst
ixpk= 488, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 498, 499, 498, 499, 412, 413,
&end
#
# 16 ILE MG2 16 ILE HG1+ 2.60 (# 489:20 Unique 2.60, 3.61 A)
&rst
ixpk= 489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 262, 263, 264,
igr2= 266, 267,
&end
#
# 0 AMB 20-2:490 0 AMB 20-1:490 3.50 (# 490:20 Double Ambig)
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 262, 263, 264, 618, 619, 620, 622, 623, 624,
igr2= 266, 267, 415,
&end
#
# 26 LEU MDX 0 AMB 20-1:491 2.60 (# 491:20 Single Ambig)
&rst
ixpk= 491, 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= 415, 266, 267,
&end
#
# 26 LEU MDY 0 AMB 20-1:492 2.60 (# 492:20 Single Ambig)
&rst
ixpk= 492, 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= 415, 266, 267,
&end
#
# 16 ILE MD1 16 ILE HG1- 2.60 (# 493:20 Unique 2.40, 2.65 A)
&rst
ixpk= 493, 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
#
# 16 ILE MD1 16 ILE HG1+ 2.60 (# 494:20 Unique 2.40, 2.65 A)
&rst
ixpk= 494, 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
#
# 26 LEU MDY 16 ILE MD1 3.50 (# 496:20 Unique 2.35, 5.13 A)
&rst
ixpk= 496, 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= 269, 270, 271,
&end
#
# 0 AMB 20-2:497 16 ILE MD1 2.60 (# 497:20 Single Ambig)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 262, 263, 264, 400, 401, 402,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:498 16 ILE MD1 6.00 (# 498:20 Single Ambig)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 618, 619, 620, 622, 623, 624, 162, 163,
igr2= 269, 270, 271,
&end
#
# 16 ILE HG1+ 16 ILE MD1 2.60 (# 499:20 Unique 2.40, 2.65 A)
&rst
ixpk= 499, 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
#
# 16 ILE HG1- 16 ILE MD1 2.60 (# 500:20 Unique 2.40, 2.65 A)
&rst
ixpk= 500, 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
#
# 16 ILE HB 16 ILE MD1 3.50 (# 501:20 Unique 2.60, 3.22 A)
&rst
ixpk= 501, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 269, 270, 271,
&end
#
# 26 LEU HB+ 16 ILE MD1 6.00 (# 502:20 Unique 2.50, 4.03 A)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 412, 413,
igr2= 269, 270, 271,
&end
#
# 7 TYR HB+ 16 ILE MD1 6.00 (# 504:20 Unique 2.80, 4.31 A)
&rst
ixpk= 504, 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
#
# 26 LEU HA 16 ILE MD1 3.50 (# 505:20 Unique 2.64, 3.40 A)
&rst
ixpk= 505, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 269, 270, 271,
&end
#
# 25 THR HB 16 ILE MD1 3.50 (# 506:20 Unique 2.58, 3.40 A)
&rst
ixpk= 506, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 269, 270, 271,
&end
#
# 25 THR HA 16 ILE MD1 6.00 (# 507:20 Unique 4.77, 5.54 A)
&rst
ixpk= 507, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 29 TRP HH2 16 ILE MD1 3.50 (# 509:20 Unique 3.64, 4.48 A)
&rst
ixpk= 509, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 269, 270, 271,
&end
#
# 26 LEU HN 16 ILE MD1 6.00 (# 510:20 Unique 3.33, 4.09 A)
&rst
ixpk= 510, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 23 HIS HE1 16 ILE MD1 6.00 (# 512:20 Unique 3.05, 4.20 A)
&rst
ixpk= 512, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 17 GLU HN 16 ILE MD1 6.00 (# 513:20 Unique 4.61, 5.31 A)
&rst
ixpk= 513, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 269, 270, 271,
&end
#
# 0 AMB 20-2:514 16 ILE MD1 6.00 (# 514:20 Single Ambig)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 256, 290,
igr2= 269, 270, 271,
&end
#
# 16 ILE HN 16 ILE MG2 3.50 (# 515:20 Unique 3.44, 4.13 A)
&rst
ixpk= 515, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 262, 263, 264,
&end
#
# 17 GLU HN 16 ILE MG2 3.50 (# 516:20 Unique 3.82, 4.40 A)
&rst
ixpk= 516, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 262, 263, 264,
&end
#
# 23 HIS HE1 16 ILE MG2 3.50 (# 517:20 Unique 2.60, 3.73 A)
&rst
ixpk= 517, nxpk= 20, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 262, 263, 264,
&end
#
# 29 TRP HZ2 16 ILE MG2 6.00 (# 518:20 Unique 3.14, 4.07 A)
&rst
ixpk= 518, 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 3.50 (# 519:20 Unique 2.50, 3.64 A)
&rst
ixpk= 519, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 262, 263, 264,
&end
#
# 25 THR HB 16 ILE MG2 3.50 (# 521:20 Unique 2.67, 4.15 A)
&rst
ixpk= 521, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 262, 263, 264,
&end
#
# 0 AMB 20-2:522 16 ILE MG2 3.50 (# 522:20 Single Ambig)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 232, 233, 232, 233,
igr2= 262, 263, 264,
&end
#
# 16 ILE HB 16 ILE MG2 2.60 (# 523:20 Unique 2.39, 2.64 A)
&rst
ixpk= 523, nxpk= 20, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 262, 263, 264,
&end
#
# 16 ILE HG1- 16 ILE MG2 3.50 (# 524:20 Unique 2.60, 3.61 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 266, 267,
igr2= 262, 263, 264,
&end
#
# 16 ILE HG1+ 16 ILE MG2 3.50 (# 526:20 Unique 2.60, 3.61 A)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 266, 267,
igr2= 262, 263, 264,
&end
#
# 16 ILE MD1 16 ILE MG2 2.60 (# 527:20 Unique 2.27, 3.72 A)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 269, 270, 271,
igr2= 262, 263, 264,
&end
#
# 18 THR HB 16 ILE MG2 6.00 (# 528:20 Unique 6.48, 7.20 A)
&rst
ixpk= 528, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
&end
#
# 18 THR HN 17 GLU HA 2.20 (# 529:20 Unique 2.13, 2.16 A)
&rst
ixpk= 529, nxpk= 20, iat= 290, 277, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 17 GLU HN 17 GLU HA 3.50 (# 530:20 Unique 2.97, 2.98 A)
&rst
ixpk= 530, nxpk= 20, iat= 275, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:532 17 GLU HA 2.60 (# 532:20 Single Ambig)
&rst
ixpk= 532, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 282, 283, 105, 106,
&end
#
# 17 GLU HG- 17 GLU HA 2.60 (# 533:20 Unique 2.49, 2.69 A)
&rst
ixpk= 533, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 282, 283,
&end
#
# 0 AMB 20-2:534 17 GLU HA 2.20 (# 534:20 Single Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 279, 280, 279, 280,
&end
#
# 18 THR MG2 17 GLU HA 3.50 (# 535:20 Unique 3.57, 4.62 A)
&rst
ixpk= 535, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 296, 297, 298,
&end
#
# 0 AMB 20-2:536 17 GLU HA 3.50 (# 536:20 Single Ambig)
&rst
ixpk= 536, nxpk= 20, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 66, 67, 68, 70, 71, 72, 246, 247, 248, 250,
251, 252,
&end
#
# 18 THR HN 0 AMB 20-1:537 3.50 (# 537:20 Single Ambig)
&rst
ixpk= 537, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 279, 280, 279, 280,
&end
#
# 17 GLU HN 0 AMB 20-1:538 2.60 (# 538:20 Single Ambig)
&rst
ixpk= 538, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 279, 280, 279, 280,
&end
#
# 17 GLU HA 0 AMB 20-1:539 2.60 (# 539:20 Single Ambig)
&rst
ixpk= 539, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 279, 280, 279, 280,
&end
#
# 0 AMB 20-2:544 0 AMB 20-1:544 2.20 (# 544:20 Double Ambig)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 282, 283, 282, 283,
igr2= 279, 280, 279, 280,
&end
#
# 4 VAL MGX 0 AMB 20-1:545 2.20 (# 545:20 Single Ambig)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 66, 67, 68, 70, 71, 72,
igr2= 279, 280, 279, 280,
&end
#
# 0 AMB 20-2:546 0 AMB 20-1:546 3.50 (# 546:20 Double Ambig)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 618, 619, 620, 622, 623, 624, 262, 263, 264,
igr2= 492, 493, 279, 280, 279, 280,
&end
#
# 0 AMB 20-2:549 0 AMB 20-1:549 6.00 (# 549:20 Double Ambig)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 290, 256,
igr2= 282, 283, 282, 283,
&end
#
# 17 GLU HN 17 GLU HG+ 3.50 (# 550:20 Unique 3.34, 4.03 A)
&rst
ixpk= 550, 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 (# 551:20 Unique 3.34, 4.03 A)
&rst
ixpk= 551, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 282, 283,
&end
#
# 0 AMB 20-2:552 17 GLU HG- 6.00 (# 552:20 Single Ambig)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 290, 256,
igr2= 282, 283,
&end
#
# 6 GLN HE2+ 17 GLU HG+ 6.00 (# 553:20 Unique 3.04, 5.62 A)
&rst
ixpk= 553, 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 (# 554:20 Unique 3.04, 5.62 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2= 282, 283,
&end
#
# 17 GLU HA 17 GLU HG+ 2.60 (# 555:20 Unique 2.49, 2.69 A)
&rst
ixpk= 555, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 282, 283,
&end
#
# 17 GLU HA 17 GLU HG- 2.60 (# 556:20 Unique 2.49, 2.69 A)
&rst
ixpk= 556, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 282, 283,
&end
#
# 36 GLU HA 36 GLU HG- 2.60 (# 558:20 Unique 2.44, 2.81 A)
&rst
ixpk= 558, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 594, 595,
&end
#
# 0 AMB 20-2:560 17 GLU HG- 2.20 (# 560:20 Single Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 279, 280, 279, 280,
igr2= 282, 283,
&end
#
# 0 AMB 20-2:561 0 AMB 20-1:561 2.20 (# 561:20 Double Ambig)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 279, 280, 279, 280,
igr2= 282, 283, 282, 283,
&end
#
# 0 AMB 20-2:562 0 AMB 20-1:562 2.60 (# 562:20 Double Ambig)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 66, 67, 68, 70, 71, 72, 246, 247, 248, 250,
251, 252,
igr2= 282, 283, 282, 283,
&end
#
# 0 AMB 20-2:563 17 GLU HG- 2.60 (# 563:20 Single Ambig)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 66, 67, 68, 70, 71, 72, 246, 247, 248, 250,
251, 252,
igr2= 282, 283,
&end
#
# 18 THR HN 18 THR HB 3.50 (# 564:20 Unique 3.48, 3.53 A)
&rst
ixpk= 564, nxpk= 20, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 LYS HN 18 THR HB 6.00 (# 565:20 Unique 3.63, 3.72 A)
&rst
ixpk= 565, nxpk= 20, iat= 304, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:566 18 THR HB 6.00 (# 566:20 Single Ambig)
&rst
ixpk= 566, nxpk= 20, iat= 275, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 HIS HD2 18 THR HB 3.50 (# 567:20 Unique 3.53, 3.56 A)
&rst
ixpk= 567, nxpk= 20, iat= 368, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 TYR HD 18 THR HB 6.00 (# 568:20 Unique 5.12, 7.17 A)
&rst
ixpk= 568, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 132,
&end
#
# 23 HIS HB+ 18 THR HB 3.50 (# 569:20 Unique 2.25, 2.90 A)
&rst
ixpk= 569, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 358, 359,
&end
#
# 23 HIS HB- 18 THR HB 6.00 (# 570:20 Unique 2.25, 2.90 A)
&rst
ixpk= 570, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 358, 359,
&end
#
# 0 AMB 20-2:571 18 THR HB 6.00 (# 571:20 Single Ambig)
&rst
ixpk= 571, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 279, 280, 279, 280,
&end
#
# 26 LEU HB+ 18 THR HB 6.00 (# 572:20 Unique 4.50, 5.05 A)
&rst
ixpk= 572, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 412, 413,
&end
#
# 0 AMB 20-2:573 18 THR HB 6.00 (# 573:20 Single Ambig)
&rst
ixpk= 573, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 80, 81,
&end
#
# 16 ILE MG2 18 THR HB 6.00 (# 574:20 Unique 6.48, 7.20 A)
&rst
ixpk= 574, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 262, 263, 264,
&end
#
# 26 LEU MDX 18 THR HB 6.00 (# 575:20 Unique 4.62, 6.25 A)
&rst
ixpk= 575, 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
#
# 18 THR MG2 18 THR HB 2.20 (# 576:20 Unique 2.42, 2.66 A)
&rst
ixpk= 576, nxpk= 20, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 296, 297, 298,
&end
#
# 18 THR HN 18 THR MG2 2.60 (# 580:20 Unique 2.59, 3.27 A)
&rst
ixpk= 580, nxpk= 20, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 296, 297, 298,
&end
#
# 7 TYR HD 18 THR MG2 3.50 (# 581:20 Unique 2.81, 5.42 A)
&rst
ixpk= 581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 123, 132,
igr2= 296, 297, 298,
&end
#
# 7 TYR HE 18 THR MG2 2.60 (# 582:20 Unique 2.27, 4.74 A)
&rst
ixpk= 582, 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
#
# 17 GLU HA 18 THR MG2 3.50 (# 583:20 Unique 3.57, 4.62 A)
&rst
ixpk= 583, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 296, 297, 298,
&end
#
# 18 THR HB 18 THR MG2 2.20 (# 585:20 Unique 2.42, 2.66 A)
&rst
ixpk= 585, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 296, 297, 298,
&end
#
# 23 HIS HB+ 18 THR MG2 3.50 (# 586:20 Unique 2.46, 3.94 A)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 358, 359,
igr2= 296, 297, 298,
&end
#
# 26 LEU MDY 18 THR MG2 3.50 (# 589:20 Unique 2.25, 4.58 A)
&rst
ixpk= 589, 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 3.50 (# 590:20 Unique 4.11, 5.59 A)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 269, 270, 271,
igr2= 296, 297, 298,
&end
#
# 19 LYS HN 19 LYS HB+ 6.00 (# 591:20 Unique 2.38, 2.96 A)
&rst
ixpk= 591, 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 (# 592:20 Unique 2.38, 2.96 A)
&rst
ixpk= 592, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 308, 309,
&end
#
# 19 LYS HG+ 19 LYS HB- 3.50 (# 593:20 Unique 2.31, 2.76 A)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 311, 312,
igr2= 308, 309,
&end
#
# 0 AMB 20-2:594 19 LYS HB- 6.00 (# 594:20 Single Ambig)
&rst
ixpk= 594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 317, 318, 317, 318,
igr2= 308, 309,
&end
#
# 0 AMB 20-2:595 0 AMB 20-1:595 2.20 (# 595:20 Double Ambig)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 314, 315, 314, 315,
igr2= 308, 309, 308, 309,
&end
#
# 0 AMB 20-2:596 0 AMB 20-1:596 3.50 (# 596:20 Double Ambig)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 66, 67, 68, 70, 71, 72, 711, 712, 713, 715,
716, 717,
igr2= 311, 312, 311, 312, 45, 46,
&end
#
# 4 VAL MGY 19 LYS HG+ 3.50 (# 597:20 Unique 2.39, 5.49 A)
&rst
ixpk= 597, 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 (# 598:20 Unique 2.39, 5.49 A)
&rst
ixpk= 598, 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
#
# 0 AMB 20-2:599 3 LYS HG- 3.50 (# 599:20 Single Ambig)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 742, 743, 742, 743,
igr2= 45, 46,
&end
#
# 0 AMB 20-2:600 0 AMB 20-1:600 2.20 (# 600:20 Double Ambig)
&rst
ixpk= 600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 311, 312, 311, 312, 311, 312,
igr2= 314, 315, 314, 315, 314, 315,
&end
#
# 20 GLY HN 20 GLY HA+ 4.50 (# 604:20 Unique 2.54, 2.84 A)
&rst
ixpk= 604, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 328, 329,
&end
#
# 0 AMB 20-2:605 0 AMB 20-1:605 5.00 (# 605:20 Double Ambig)
&rst
ixpk= 605, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 328, 329,
&end
#
# 20 GLY HN 0 AMB 20-1:606 4.30 (# 606:20 Single Ambig)
&rst
ixpk= 606, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 328, 329,
&end
#
# 0 AMB 20-2:609 0 AMB 20-1:609 4.50 (# 609:20 Double Ambig)
&rst
ixpk= 609, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 335, 336, 335, 336,
&end
#
# 22 ASN HB+ 22 ASN HA 6.00 (# 612:20 Unique 2.41, 2.75 A)
&rst
ixpk= 612, nxpk= 20, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 344, 345,
&end
#
# 0 AMB 20-2:613 22 ASN HA 6.00 (# 613:20 Single Ambig)
&rst
ixpk= 613, nxpk= 20, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 344, 345,
&end
#
# 19 LYS HB+ 19 LYS HA 6.00 (# 614:20 Unique 2.41, 2.70 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 308, 309,
&end
#
# 22 ASN HN 22 ASN HB+ 6.00 (# 615:20 Unique 2.39, 2.69 A)
&rst
ixpk= 615, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 344, 345,
&end
#
# 22 ASN HN 22 ASN HB- 6.00 (# 616:20 Unique 2.39, 2.69 A)
&rst
ixpk= 616, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 344, 345,
&end
#
# 22 ASN HD2+ 22 ASN HB+ 6.00 (# 617:20 Unique 2.23, 3.23 A)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 349, 350,
igr2= 344, 345,
&end
#
# 22 ASN HD2+ 22 ASN HB- 3.50 (# 618:20 Unique 2.23, 3.23 A)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 349, 350,
igr2= 344, 345,
&end
#
# 25 THR HN 23 HIS HA 6.00 (# 634:20 Unique 4.14, 4.33 A)
&rst
ixpk= 634, nxpk= 20, iat= 394, 356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 LYS HN 23 HIS HA 3.50 (# 635:20 Unique 2.15, 2.22 A)
&rst
ixpk= 635, nxpk= 20, iat= 372, 356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 HIS HN 23 HIS HA 6.00 (# 636:20 Unique 2.76, 2.90 A)
&rst
ixpk= 636, nxpk= 20, iat= 354, 356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 HIS HD2 23 HIS HA 3.50 (# 637:20 Unique 2.86, 3.06 A)
&rst
ixpk= 637, nxpk= 20, iat= 368, 356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 HIS HB+ 23 HIS HA 2.60 (# 641:20 Unique 2.46, 2.78 A)
&rst
ixpk= 641, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 358, 359,
&end
#
# 23 HIS HB- 23 HIS HA 2.60 (# 642:20 Unique 2.46, 2.78 A)
&rst
ixpk= 642, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 358, 359,
&end
#
# 24 LYS HB- 23 HIS HA 6.00 (# 643:20 Unique 4.19, 4.83 A)
&rst
ixpk= 643, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 376, 377,
&end
#
# 0 AMB 20-2:644 23 HIS HA 6.00 (# 644:20 Single Ambig)
&rst
ixpk= 644, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 412, 413,
&end
#
# 23 HIS HN 23 HIS HB- 6.00 (# 647:20 Unique 2.24, 2.66 A)
&rst
ixpk= 647, nxpk= 20, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 358, 359,
&end
#
# 23 HIS HN 23 HIS HB+ 6.00 (# 648:20 Unique 2.24, 2.66 A)
&rst
ixpk= 648, nxpk= 20, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 358, 359,
&end
#
# 26 LEU HN 23 HIS HB+ 6.00 (# 649:20 Unique 3.23, 4.16 A)
&rst
ixpk= 649, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 358, 359,
&end
#
# 26 LEU HN 23 HIS HB- 3.50 (# 650:20 Unique 3.23, 4.16 A)
&rst
ixpk= 650, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 358, 359,
&end
#
# 23 HIS HD2 23 HIS HB- 6.00 (# 651:20 Unique 2.64, 3.29 A)
&rst
ixpk= 651, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 358, 359,
&end
#
# 23 HIS HD2 23 HIS HB+ 3.50 (# 652:20 Unique 2.64, 3.29 A)
&rst
ixpk= 652, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 358, 359,
&end
#
# 23 HIS HA 23 HIS HB+ 2.60 (# 655:20 Unique 2.46, 2.78 A)
&rst
ixpk= 655, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 358, 359,
&end
#
# 18 THR HB 23 HIS HB+ 3.50 (# 656:20 Unique 2.25, 2.90 A)
&rst
ixpk= 656, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 358, 359,
&end
#
# 18 THR HB 23 HIS HB- 6.00 (# 657:20 Unique 2.25, 2.90 A)
&rst
ixpk= 657, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 358, 359,
&end
#
# 23 HIS HA 23 HIS HB- 3.50 (# 658:20 Unique 2.46, 2.78 A)
&rst
ixpk= 658, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 358, 359,
&end
#
# 26 LEU HB+ 23 HIS HB+ 3.50 (# 668:20 Unique 2.59, 3.80 A)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 412, 413,
igr2= 358, 359,
&end
#
# 26 LEU HB+ 23 HIS HB- 3.50 (# 669:20 Unique 2.59, 3.80 A)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 412, 413,
igr2= 358, 359,
&end
#
# 26 LEU HB- 23 HIS HB+ 3.50 (# 670:20 Unique 2.59, 3.80 A)
&rst
ixpk= 670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 412, 413,
igr2= 358, 359,
&end
#
# 18 THR MG2 23 HIS HB+ 3.50 (# 671:20 Unique 2.46, 3.94 A)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 296, 297, 298,
igr2= 358, 359,
&end
#
# 26 LEU HB- 23 HIS HB- 2.60 (# 672:20 Unique 2.59, 3.80 A)
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 412, 413,
igr2= 358, 359,
&end
#
# 18 THR MG2 23 HIS HB- 3.50 (# 673:20 Unique 2.46, 3.94 A)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 296, 297, 298,
igr2= 358, 359,
&end
#
# 26 LEU MDX 23 HIS HB+ 6.00 (# 674:20 Unique 3.42, 5.81 A)
&rst
ixpk= 674, 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= 358, 359,
&end
#
# 26 LEU MDX 23 HIS HB- 6.00 (# 675:20 Unique 3.42, 5.81 A)
&rst
ixpk= 675, 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= 358, 359,
&end
#
# 26 LEU MDY 23 HIS HB+ 6.00 (# 677:20 Unique 3.42, 5.81 A)
&rst
ixpk= 677, 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= 358, 359,
&end
#
# 26 LEU MDY 23 HIS HB- 6.00 (# 678:20 Unique 3.42, 5.81 A)
&rst
ixpk= 678, 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= 358, 359,
&end
#
# 25 THR HN 24 LYS HA 6.00 (# 682:20 Unique 3.57, 3.59 A)
&rst
ixpk= 682, nxpk= 20, iat= 394, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 LYS HN 24 LYS HA 6.00 (# 683:20 Unique 2.67, 2.74 A)
&rst
ixpk= 683, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HN 24 LYS HA 6.00 (# 684:20 Unique 3.83, 3.97 A)
&rst
ixpk= 684, nxpk= 20, iat= 449, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:685 24 LYS HA 3.50 (# 685:20 Single Ambig)
&rst
ixpk= 685, nxpk= 20, iat= 427, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:686 24 LYS HA 6.00 (# 686:20 Single Ambig)
&rst
ixpk= 686, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 440, 441, 385, 386, 385, 386,
&end
#
# 24 LYS HB+ 24 LYS HA 2.60 (# 687:20 Unique 2.41, 2.77 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 376, 377,
&end
#
# 24 LYS HB- 24 LYS HA 2.60 (# 688:20 Unique 2.41, 2.77 A)
&rst
ixpk= 688, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 376, 377,
&end
#
# 0 AMB 20-2:689 24 LYS HA 2.60 (# 689:20 Single Ambig)
&rst
ixpk= 689, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 382, 383, 382, 383,
&end
#
# 24 LYS HG+ 24 LYS HA 3.50 (# 690:20 Unique 2.37, 3.45 A)
&rst
ixpk= 690, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 379, 380,
&end
#
# 24 LYS HG- 24 LYS HA 3.50 (# 691:20 Unique 2.37, 3.45 A)
&rst
ixpk= 691, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 379, 380,
&end
#
# 25 THR HN 24 LYS HB+ 6.00 (# 693:20 Unique 2.53, 3.24 A)
&rst
ixpk= 693, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 376, 377,
&end
#
# 25 THR HN 24 LYS HB- 3.50 (# 694:20 Unique 2.53, 3.24 A)
&rst
ixpk= 694, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 376, 377,
&end
#
# 24 LYS HN 24 LYS HB+ 6.00 (# 695:20 Unique 2.07, 2.73 A)
&rst
ixpk= 695, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 376, 377,
&end
#
# 24 LYS HN 24 LYS HB- 6.00 (# 696:20 Unique 2.07, 2.73 A)
&rst
ixpk= 696, nxpk= 20, iat= 372, -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 (# 700:20 Unique 4.19, 4.83 A)
&rst
ixpk= 700, 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 (# 701:20 Unique 2.41, 2.77 A)
&rst
ixpk= 701, 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 (# 702:20 Unique 2.41, 2.77 A)
&rst
ixpk= 702, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 376, 377,
&end
#
# 0 AMB 20-2:703 24 LYS HB- 6.00 (# 703:20 Single Ambig)
&rst
ixpk= 703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 385, 386, 385, 386,
igr2= 376, 377,
&end
#
# 24 LYS HG- 24 LYS HB+ 3.50 (# 705:20 Unique 2.28, 2.59 A)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 379, 380,
igr2= 376, 377,
&end
#
# 24 LYS HG- 24 LYS HB- 2.60 (# 706:20 Unique 2.28, 2.59 A)
&rst
ixpk= 706, 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+ 2.60 (# 707:20 Unique 2.28, 2.59 A)
&rst
ixpk= 707, 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- 2.60 (# 708:20 Unique 2.28, 2.59 A)
&rst
ixpk= 708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 379, 380,
igr2= 376, 377,
&end
#
# 0 AMB 20-2:713 0 AMB 20-1:713 3.50 (# 713:20 Double Ambig)
&rst
ixpk= 713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 374, 396,
igr2= 379, 380, 379, 380,
&end
#
# 0 AMB 20-2:714 24 LYS HG- 3.50 (# 714:20 Single Ambig)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 374, 396,
igr2= 379, 380,
&end
#
# 0 AMB 20-2:715 0 AMB 20-1:715 3.50 (# 715:20 Double Ambig)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 385, 386, 385, 386,
igr2= 379, 380, 379, 380,
&end
#
# 0 AMB 20-2:716 24 LYS HG- 3.50 (# 716:20 Single Ambig)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 385, 386, 385, 386,
igr2= 379, 380,
&end
#
# 24 LYS HB+ 24 LYS HG+ 2.20 (# 717:20 Unique 2.28, 2.59 A)
&rst
ixpk= 717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 376, 377,
igr2= 379, 380,
&end
#
# 24 LYS HB+ 24 LYS HG- 2.60 (# 718:20 Unique 2.28, 2.59 A)
&rst
ixpk= 718, 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- 2.60 (# 719:20 Unique 2.28, 2.59 A)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 376, 377,
igr2= 379, 380,
&end
#
# 0 AMB 20-2:720 24 LYS HG- 2.20 (# 720:20 Single Ambig)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 382, 383, 382, 383,
igr2= 379, 380,
&end
#
# 0 AMB 20-2:721 0 AMB 20-1:721 2.20 (# 721:20 Double Ambig)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 382, 383, 382, 383, 437, 438,
igr2= 379, 380, 379, 380, 379, 380,
&end
#
# 0 AMB 20-2:722 0 AMB 20-1:722 2.20 (# 722:20 Double Ambig)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 376, 377, 376, 377,
igr2= 382, 383, 382, 383,
&end
#
# 0 AMB 20-2:723 0 AMB 20-1:723 3.50 (# 723:20 Double Ambig)
&rst
ixpk= 723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 379, 380, 45, 46, 45, 46,
igr2= 385, 386, 385, 386, 51, 52, 51, 52,
&end
#
# 25 THR HN 25 THR HA 3.50 (# 724:20 Unique 2.78, 2.81 A)
&rst
ixpk= 724, nxpk= 20, iat= 394, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 TRP HN 25 THR HA 6.00 (# 725:20 Unique 4.05, 4.16 A)
&rst
ixpk= 725, nxpk= 20, iat= 464, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 LYS HN 25 THR HA 6.00 (# 726:20 Unique 4.58, 4.68 A)
&rst
ixpk= 726, nxpk= 20, iat= 427, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:727 25 THR HA 3.50 (# 727:20 Single Ambig)
&rst
ixpk= 727, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 449, 364,
&end
#
# 26 LEU HN 25 THR HA 6.00 (# 729:20 Unique 3.53, 3.55 A)
&rst
ixpk= 729, nxpk= 20, iat= 408, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 GLU HA 25 THR HA 6.00 (# 730:20 Unique 5.34, 5.44 A)
&rst
ixpk= 730, 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 (# 732:20 Unique 2.85, 2.87 A)
&rst
ixpk= 732, nxpk= 20, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:733 25 THR HA 6.00 (# 733:20 Single Ambig)
&rst
ixpk= 733, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 456, 457, 533, 534,
&end
#
# 28 GLU HB+ 25 THR HA 3.50 (# 734:20 Unique 2.43, 3.34 A)
&rst
ixpk= 734, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 453, 454,
&end
#
# 28 GLU HG- 25 THR HA 6.00 (# 735:20 Unique 3.86, 4.59 A)
&rst
ixpk= 735, 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 (# 736:20 Unique 2.43, 3.34 A)
&rst
ixpk= 736, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 453, 454,
&end
#
# 0 AMB 20-2:737 25 THR HA 6.00 (# 737:20 Single Ambig)
&rst
ixpk= 737, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 382, 383, 382, 383,
&end
#
# 24 LYS HG- 25 THR HA 6.00 (# 739:20 Unique 3.81, 5.73 A)
&rst
ixpk= 739, 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 (# 740:20 Unique 2.35, 2.98 A)
&rst
ixpk= 740, 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 (# 741:20 Unique 4.77, 5.54 A)
&rst
ixpk= 741, 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 (# 742:20 Unique 2.58, 2.79 A)
&rst
ixpk= 742, nxpk= 20, iat= 394, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 HIS HE1 25 THR HB 2.60 (# 743:20 Unique 2.63, 2.66 A)
&rst
ixpk= 743, nxpk= 20, iat= 364, 398, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 26 LEU HN 25 THR HB 3.50 (# 744:20 Unique 2.76, 2.88 A)
&rst
ixpk= 744, nxpk= 20, iat= 408, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 THR HA 25 THR HB 3.50 (# 747:20 Unique 2.85, 2.87 A)
&rst
ixpk= 747, nxpk= 20, iat= 396, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:748 25 THR HB 6.00 (# 748:20 Single Ambig)
&rst
ixpk= 748, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 266, 267, 415,
&end
#
# 0 AMB 20-2:749 25 THR HB 2.60 (# 749:20 Single Ambig)
&rst
ixpk= 749, 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 (# 750:20 Unique 2.58, 3.40 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 269, 270, 271,
&end
#
# 16 ILE MD1 25 THR MG2 2.60 (# 752:20 Unique 2.78, 4.50 A)
&rst
ixpk= 752, 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
#
# 0 AMB 20-2:754 25 THR 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= 453, 454, 162, 163,
igr2= 400, 401, 402,
&end
#
# 25 THR HB 25 THR MG2 2.20 (# 755:20 Unique 2.38, 2.64 A)
&rst
ixpk= 755, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 400, 401, 402,
&end
#
# 25 THR HA 25 THR MG2 2.60 (# 756:20 Unique 2.35, 2.98 A)
&rst
ixpk= 756, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 400, 401, 402,
&end
#
# 29 TRP HZ2 25 THR MG2 3.50 (# 757:20 Unique 3.21, 3.79 A)
&rst
ixpk= 757, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 400, 401, 402,
&end
#
# 0 AMB 20-2:758 25 THR MG2 3.50 (# 758:20 Single Ambig)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 364, 449,
igr2= 400, 401, 402,
&end
#
# 25 THR HN 25 THR MG2 6.00 (# 759:20 Unique 4.17, 4.52 A)
&rst
ixpk= 759, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 400, 401, 402,
&end
#
# 29 TRP HE1 25 THR MG2 3.50 (# 760:20 Unique 2.78, 3.43 A)
&rst
ixpk= 760, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 400, 401, 402,
&end
#
# 16 ILE HG1+ 25 THR MG2 6.00 (# 766:20 Unique 4.91, 6.10 A)
&rst
ixpk= 766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 266, 267,
igr2= 400, 401, 402,
&end
#
# 29 TRP HN 26 LEU HA 3.50 (# 768:20 Unique 3.17, 3.29 A)
&rst
ixpk= 768, nxpk= 20, iat= 464, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LYS HN 26 LEU HA 6.00 (# 769:20 Unique 3.98, 4.05 A)
&rst
ixpk= 769, nxpk= 20, iat= 488, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:770 26 LEU HA 6.00 (# 770:20 Single Ambig)
&rst
ixpk= 770, nxpk= 20, iat= 427, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TRP HE3 26 LEU HA 6.00 (# 771:20 Unique 6.06, 6.11 A)
&rst
ixpk= 771, nxpk= 20, iat= 673, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 26 LEU HA 3.50 (# 772:20 Unique 2.92, 2.94 A)
&rst
ixpk= 772, nxpk= 20, iat= 408, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:773 26 LEU HA 6.00 (# 773:20 Single Ambig)
&rst
ixpk= 773, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 396, 429, 374,
&end
#
# 0 AMB 20-2:774 26 LEU HA 2.60 (# 774:20 Single Ambig)
&rst
ixpk= 774, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 468, 469, 468, 469,
&end
#
# 7 TYR HB+ 26 LEU HA 6.00 (# 775:20 Unique 5.20, 5.59 A)
&rst
ixpk= 775, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 0 AMB 20-2:777 26 LEU HA 6.00 (# 777:20 Single Ambig)
&rst
ixpk= 777, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 431, 432, 431, 432, 614,
&end
#
# 26 LEU HB+ 26 LEU HA 2.60 (# 778:20 Unique 2.46, 2.79 A)
&rst
ixpk= 778, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 412, 413,
&end
#
# 26 LEU HB- 26 LEU HA 2.60 (# 779:20 Unique 2.46, 2.79 A)
&rst
ixpk= 779, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 412, 413,
&end
#
# 38 VAL MGY 26 LEU HA 6.00 (# 780:20 Unique 3.86, 5.39 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:781 26 LEU HA 3.50 (# 781:20 Single Ambig)
&rst
ixpk= 781, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 618, 619, 620, 622, 623, 624, 400, 401, 402, 262,
263, 264,
&end
#
# 26 LEU MDX 26 LEU HA 3.50 (# 782:20 Unique 2.17, 3.88 A)
&rst
ixpk= 782, 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 (# 783:20 Unique 2.17, 3.88 A)
&rst
ixpk= 783, 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 (# 784:20 Unique 2.64, 3.40 A)
&rst
ixpk= 784, nxpk= 20, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 269, 270, 271,
&end
#
# 28 GLU HN 26 LEU HA 6.00 (# 785:20 Unique 4.57, 4.63 A)
&rst
ixpk= 785, nxpk= 20, iat= 449, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:789 0 AMB 20-1:789 2.60 (# 789:20 Double Ambig)
&rst
ixpk= 789, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:790 26 LEU HB- 3.50 (# 790:20 Single Ambig)
&rst
ixpk= 790, 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+ 2.60 (# 791:20 Unique 2.35, 2.55 A)
&rst
ixpk= 791, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 412, 413,
&end
#
# 26 LEU HN 26 LEU HB- 2.60 (# 792:20 Unique 2.35, 2.55 A)
&rst
ixpk= 792, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:793 0 AMB 20-1:793 6.00 (# 793:20 Double Ambig)
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 429, 396,
igr2= 412, 413, 412, 413,
&end
#
# 0 AMB 20-2:794 26 LEU HB- 6.00 (# 794:20 Single Ambig)
&rst
ixpk= 794, 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
#
# 25 THR HB 26 LEU HB- 6.00 (# 795:20 Unique 4.17, 4.72 A)
&rst
ixpk= 795, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 412, 413,
&end
#
# 26 LEU HA 26 LEU HB- 3.50 (# 796:20 Unique 2.46, 2.79 A)
&rst
ixpk= 796, 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+ 2.60 (# 797:20 Unique 2.46, 2.79 A)
&rst
ixpk= 797, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 412, 413,
&end
#
# 23 HIS HB+ 26 LEU HB+ 3.50 (# 798:20 Unique 2.59, 3.80 A)
&rst
ixpk= 798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 358, 359,
igr2= 412, 413,
&end
#
# 23 HIS HB+ 26 LEU HB- 3.50 (# 799:20 Unique 2.59, 3.80 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 358, 359,
igr2= 412, 413,
&end
#
# 23 HIS HB- 26 LEU HB+ 2.60 (# 800:20 Unique 2.59, 3.80 A)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 358, 359,
igr2= 412, 413,
&end
#
# 23 HIS HB- 26 LEU HB- 3.50 (# 801:20 Unique 2.59, 3.80 A)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 358, 359,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:802 0 AMB 20-1:802 6.00 (# 802:20 Double Ambig)
&rst
ixpk= 802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 495, 496, 431, 432, 431, 432,
igr2= 412, 413, 412, 413, 412, 413,
&end
#
# 0 AMB 20-2:803 26 LEU HB- 6.00 (# 803:20 Single Ambig)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 495, 496, 431, 432, 431, 432,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:804 26 LEU HB- 6.00 (# 804:20 Single Ambig)
&rst
ixpk= 804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 260, 80, 81,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:805 26 LEU HB- 6.00 (# 805:20 Single Ambig)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 618, 619, 620, 622, 623, 624, 400, 401, 402, 262,
263, 264,
igr2= 412, 413,
&end
#
# 26 LEU MDX 26 LEU HB+ 2.60 (# 806:20 Unique 2.36, 3.32 A)
&rst
ixpk= 806, 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- 3.50 (# 807:20 Unique 2.36, 3.32 A)
&rst
ixpk= 807, 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 (# 808:20 Unique 2.36, 3.32 A)
&rst
ixpk= 808, 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 (# 809:20 Unique 2.36, 3.32 A)
&rst
ixpk= 809, 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- 3.50 (# 810:20 Unique 2.50, 4.03 A)
&rst
ixpk= 810, 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
#
# 16 ILE MD1 26 LEU HB+ 6.00 (# 811:20 Unique 2.50, 4.03 A)
&rst
ixpk= 811, 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
#
# 38 VAL MGY 26 LEU HB+ 6.00 (# 812:20 Unique 5.19, 7.09 A)
&rst
ixpk= 812, 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
#
# 27 LYS HG- 26 LEU HB+ 6.00 (# 813:20 Unique 3.55, 5.18 A)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 434, 435,
igr2= 412, 413,
&end
#
# 27 LYS HG- 26 LEU HB- 6.00 (# 814:20 Unique 3.55, 5.18 A)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 434, 435,
igr2= 412, 413,
&end
#
# 30 LYS HE+ 26 LEU HB+ 6.00 (# 817:20 Unique 6.21, 7.40 A)
&rst
ixpk= 817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 412, 413,
&end
#
# 0 AMB 20-2:818 0 AMB 20-1:818 6.00 (# 818:20 Double Ambig)
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 364, 449,
igr2= 412, 413, 412, 413,
&end
#
# 27 LYS HN 26 LEU HG 6.00 (# 819:20 Unique 3.44, 3.74 A)
&rst
ixpk= 819, nxpk= 20, iat= 427, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 0 AMB 20-1:820 6.00 (# 820:20 Single Ambig)
&rst
ixpk= 820, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 415, 266, 267,
&end
#
# 26 LEU HA 26 LEU HG 3.50 (# 822:20 Unique 2.75, 3.06 A)
&rst
ixpk= 822, nxpk= 20, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LYS HE+ 26 LEU HG 6.00 (# 823:20 Unique 4.17, 4.84 A)
&rst
ixpk= 823, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 38 VAL MGY 26 LEU HG 6.00 (# 824:20 Unique 2.66, 5.25 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:825 26 LEU MDX 6.00 (# 825:20 Single Ambig)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 427, 628,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU HN 26 LEU MDX 6.00 (# 827:20 Unique 4.59, 5.24 A)
&rst
ixpk= 827, 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
#
# 7 TYR HD 26 LEU MDX 6.00 (# 828:20 Unique 3.03, 4.84 A)
&rst
ixpk= 828, 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 (# 830:20 Unique 2.63, 4.21 A)
&rst
ixpk= 830, 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
#
# 26 LEU HA 26 LEU MDX 3.50 (# 832:20 Unique 2.17, 3.88 A)
&rst
ixpk= 832, 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
#
# 7 TYR HB- 26 LEU MDX 6.00 (# 833:20 Unique 3.09, 5.39 A)
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 119, 120,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 23 HIS HB- 26 LEU MDX 6.00 (# 834:20 Unique 3.42, 5.81 A)
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 358, 359,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 30 LYS HE+ 26 LEU MDX 6.00 (# 835:20 Unique 4.03, 5.95 A)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 501, 502,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:836 26 LEU MDX 2.60 (# 836:20 Single Ambig)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 412, 413, 498, 499, 498, 499,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU HB- 26 LEU MDX 2.60 (# 837:20 Unique 2.36, 3.32 A)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 412, 413,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:839 26 LEU MDX 2.60 (# 839:20 Single Ambig)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 296, 297, 298, 495, 496,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 41 TRP HE3 26 LEU MDY 6.00 (# 840:20 Unique 4.50, 6.73 A)
&rst
ixpk= 840, 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
#
# 26 LEU HN 26 LEU MDY 6.00 (# 841:20 Unique 4.59, 5.24 A)
&rst
ixpk= 841, 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
#
# 7 TYR HD 26 LEU MDY 3.50 (# 842:20 Unique 3.03, 4.84 A)
&rst
ixpk= 842, 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 (# 844:20 Unique 2.63, 4.21 A)
&rst
ixpk= 844, 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
#
# 0 AMB 20-2:845 26 LEU MDY 6.00 (# 845:20 Single Ambig)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 468, 469, 468, 469,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU HA 26 LEU MDY 2.60 (# 847:20 Unique 2.17, 3.88 A)
&rst
ixpk= 847, 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 6.00 (# 848:20 Unique 4.03, 5.95 A)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 501, 502,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:849 26 LEU MDY 3.50 (# 849:20 Single Ambig)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 412, 413, 498, 499, 498, 499,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 0 AMB 20-2:850 26 LEU MDY 2.60 (# 850:20 Single Ambig)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 412, 413, 415, 266, 267,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 38 VAL MGY 26 LEU MDY 2.60 (# 851:20 Unique 2.25, 5.67 A)
&rst
ixpk= 851, 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
#
# 38 VAL MGX 26 LEU MDY 3.50 (# 852:20 Unique 2.25, 5.67 A)
&rst
ixpk= 852, 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 MDY 3.50 (# 854:20 Unique 2.35, 5.13 A)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 269, 270, 271,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 29 TRP HN 27 LYS HA 6.00 (# 855:20 Unique 4.43, 4.52 A)
&rst
ixpk= 855, nxpk= 20, iat= 464, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HN 27 LYS HA 6.00 (# 856:20 Unique 3.29, 3.36 A)
&rst
ixpk= 856, nxpk= 20, iat= 488, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:857 27 LYS HA 3.50 (# 857:20 Single Ambig)
&rst
ixpk= 857, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 427, 510,
&end
#
# 28 GLU HN 27 LYS HA 3.50 (# 858:20 Unique 3.57, 3.58 A)
&rst
ixpk= 858, nxpk= 20, iat= 449, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LYS HE+ 27 LYS HA 6.00 (# 859:20 Unique 4.30, 5.04 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 440, 441,
&end
#
# 0 AMB 20-2:860 27 LYS HA 2.20 (# 860:20 Single Ambig)
&rst
ixpk= 860, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 431, 432, 431, 432, 495, 496,
&end
#
# 0 AMB 20-2:862 27 LYS HA 2.60 (# 862:20 Single Ambig)
&rst
ixpk= 862, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 434, 435, 498, 499, 498, 499,
&end
#
# 30 LYS HB- 27 LYS HA 2.60 (# 863:20 Unique 2.63, 3.47 A)
&rst
ixpk= 863, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 492, 493,
&end
#
# 27 LYS HG- 27 LYS HA 2.60 (# 864:20 Unique 2.34, 2.71 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 434, 435,
&end
#
# 26 LEU HG 27 LYS HA 6.00 (# 865:20 Unique 3.62, 3.91 A)
&rst
ixpk= 865, nxpk= 20, iat= 415, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 VAL MGY 27 LYS HA 6.00 (# 868:20 Unique 5.53, 7.03 A)
&rst
ixpk= 868, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 28 GLU HN 0 AMB 20-1:869 2.60 (# 869:20 Single Ambig)
&rst
ixpk= 869, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 431, 432, 431, 432,
&end
#
# 27 LYS HN 0 AMB 20-1:870 2.20 (# 870:20 Single Ambig)
&rst
ixpk= 870, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr2= 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:872 0 AMB 20-1:872 3.50 (# 872:20 Double Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 451, 512,
igr2= 431, 432, 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:874 0 AMB 20-1:874 3.50 (# 874:20 Double Ambig)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 440, 441, 440, 441,
igr2= 431, 432, 431, 432,
&end
#
# 27 LYS HG- 0 AMB 20-1:876 2.60 (# 876:20 Single Ambig)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 434, 435,
igr2= 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:877 0 AMB 20-1:877 2.20 (# 877:20 Double Ambig)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 437, 438, 437, 438, 437, 438, 382, 383, 382, 383,
382, 383,
igr2= 431, 432, 431, 432, 431, 432, 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:878 0 AMB 20-1:878 3.50 (# 878:20 Double Ambig)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 412, 413,
igr2= 431, 432, 431, 432,
&end
#
# 27 LYS HA 0 AMB 20-1:879 2.20 (# 879:20 Single Ambig)
&rst
ixpk= 879, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr2= 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:882 0 AMB 20-1:882 2.60 (# 882:20 Double Ambig)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 431, 432, 431, 432,
igr2= 434, 435, 434, 435,
&end
#
# 27 LYS HE+ 27 LYS HG+ 3.50 (# 883:20 Unique 2.41, 2.98 A)
&rst
ixpk= 883, 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 20-2:884 0 AMB 20-1:884 2.60 (# 884:20 Double Ambig)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 317, 318, 317, 318, 440, 441,
igr2= 311, 312, 434, 435,
&end
#
# 27 LYS HA 27 LYS HG+ 3.50 (# 885:20 Unique 2.34, 2.71 A)
&rst
ixpk= 885, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 434, 435,
&end
#
# 27 LYS HA 27 LYS HG- 2.60 (# 886:20 Unique 2.34, 2.71 A)
&rst
ixpk= 886, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 434, 435,
&end
#
# 28 GLU HN 27 LYS HG- 6.00 (# 889:20 Unique 4.38, 4.80 A)
&rst
ixpk= 889, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:890 27 LYS HG- 6.00 (# 890:20 Single Ambig)
&rst
ixpk= 890, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:891 0 AMB 20-1:891 3.50 (# 891:20 Double Ambig)
&rst
ixpk= 891, nxpk= 20, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 434, 435, 434, 435,
&end
#
# 24 LYS HA 0 AMB 20-1:892 3.50 (# 892:20 Single Ambig)
&rst
ixpk= 892, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 437, 438, 437, 438,
&end
#
# 29 TRP HN 28 GLU HA 3.50 (# 893:20 Unique 3.57, 3.58 A)
&rst
ixpk= 893, nxpk= 20, iat= 464, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:894 28 GLU HA 3.50 (# 894:20 Single Ambig)
&rst
ixpk= 894, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 510, 427,
&end
#
# 28 GLU HN 28 GLU HA 2.80 (# 895:20 Unique 2.73, 2.74 A)
&rst
ixpk= 895, 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 (# 896:20 Unique 3.96, 4.05 A)
&rst
ixpk= 896, nxpk= 20, iat= 520, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:897 28 GLU HA 3.50 (# 897:20 Single Ambig)
&rst
ixpk= 897, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 456, 457, 533, 534,
&end
#
# 0 AMB 20-2:898 28 GLU HA 2.60 (# 898:20 Single Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 453, 454, 533, 534,
&end
#
# 28 GLU HG- 28 GLU HA 2.60 (# 899:20 Unique 2.25, 2.58 A)
&rst
ixpk= 899, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 456, 457,
&end
#
# 28 GLU HB- 28 GLU HA 2.60 (# 900:20 Unique 2.60, 2.84 A)
&rst
ixpk= 900, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 453, 454,
&end
#
# 0 AMB 20-2:902 28 GLU HA 3.50 (# 902:20 Single Ambig)
&rst
ixpk= 902, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 431, 432, 431, 432,
&end
#
# 0 AMB 20-2:903 28 GLU HA 6.00 (# 903:20 Single Ambig)
&rst
ixpk= 903, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 492, 493, 376, 377,
&end
#
# 31 ALA MB 28 GLU HA 2.60 (# 904:20 Unique 2.63, 3.54 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 514, 515, 516,
&end
#
# 0 AMB 20-2:905 28 GLU HA 6.00 (# 905:20 Single Ambig)
&rst
ixpk= 905, nxpk= 20, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 379, 380, 434, 435,
&end
#
# 29 TRP HN 28 GLU HB+ 3.50 (# 906:20 Unique 2.67, 2.98 A)
&rst
ixpk= 906, 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 (# 907:20 Unique 2.67, 2.98 A)
&rst
ixpk= 907, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:908 0 AMB 20-1:908 6.00 (# 908:20 Double Ambig)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 427, 510,
igr2= 453, 454, 453, 454,
&end
#
# 0 AMB 20-2:909 28 GLU HB- 6.00 (# 909:20 Single Ambig)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 427, 510,
igr2= 453, 454,
&end
#
# 28 GLU HN 28 GLU HB- 2.60 (# 910:20 Unique 2.27, 2.93 A)
&rst
ixpk= 910, 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 (# 911:20 Unique 2.27, 2.93 A)
&rst
ixpk= 911, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:912 0 AMB 20-1:912 6.00 (# 912:20 Double Ambig)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 472, 520,
igr2= 453, 454, 453, 454,
&end
#
# 0 AMB 20-2:913 28 GLU HB- 6.00 (# 913:20 Single Ambig)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 472, 520,
igr2= 453, 454,
&end
#
# 28 GLU HA 28 GLU HB+ 2.60 (# 914:20 Unique 2.60, 2.84 A)
&rst
ixpk= 914, 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 (# 915:20 Unique 2.60, 2.84 A)
&rst
ixpk= 915, 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 (# 916:20 Unique 2.43, 3.34 A)
&rst
ixpk= 916, 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 (# 917:20 Unique 2.43, 3.34 A)
&rst
ixpk= 917, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:918 0 AMB 20-1:918 2.20 (# 918:20 Double Ambig)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 533, 534, 456, 457,
igr2= 453, 454, 453, 454,
&end
#
# 0 AMB 20-2:919 28 GLU HB- 2.60 (# 919:20 Single Ambig)
&rst
ixpk= 919, 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
#
# 28 GLU HG- 28 GLU HB+ 2.20 (# 920:20 Unique 2.34, 2.74 A)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 456, 457,
igr2= 453, 454,
&end
#
# 28 GLU HG- 28 GLU HB- 2.20 (# 921:20 Unique 2.34, 2.74 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 456, 457,
igr2= 453, 454,
&end
#
# 31 ALA MB 28 GLU HB- 6.00 (# 926:20 Unique 4.60, 6.12 A)
&rst
ixpk= 926, 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 (# 927:20 Unique 3.95, 5.23 A)
&rst
ixpk= 927, 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 (# 928:20 Unique 3.95, 5.23 A)
&rst
ixpk= 928, 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- 6.00 (# 929:20 Unique 4.65, 4.87 A)
&rst
ixpk= 929, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457,
&end
#
# 29 TRP HN 28 GLU HG+ 6.00 (# 930:20 Unique 4.65, 4.87 A)
&rst
ixpk= 930, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 456, 457,
&end
#
# 0 AMB 20-2:931 0 AMB 20-1:931 6.00 (# 931:20 Double Ambig)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 427, 510,
igr2= 456, 457, 456, 457,
&end
#
# 0 AMB 20-2:932 28 GLU HG- 6.00 (# 932:20 Single Ambig)
&rst
ixpk= 932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 427, 510,
igr2= 456, 457,
&end
#
# 28 GLU HN 28 GLU HG- 3.50 (# 933:20 Unique 2.63, 3.23 A)
&rst
ixpk= 933, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 456, 457,
&end
#
# 0 AMB 20-2:934 28 GLU HG- 6.00 (# 934:20 Single Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 472, 520,
igr2= 456, 457,
&end
#
# 32 LYS HN 28 GLU HG+ 6.00 (# 935:20 Unique 5.57, 6.24 A)
&rst
ixpk= 935, 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 (# 936:20 Unique 2.63, 3.23 A)
&rst
ixpk= 936, nxpk= 20, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 456, 457,
&end
#
# 28 GLU HA 28 GLU HG+ 3.50 (# 937:20 Unique 2.25, 2.58 A)
&rst
ixpk= 937, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 456, 457,
&end
#
# 28 GLU HA 28 GLU HG- 2.60 (# 938:20 Unique 2.25, 2.58 A)
&rst
ixpk= 938, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 456, 457,
&end
#
# 0 AMB 20-2:940 0 AMB 20-1:940 3.50 (# 940:20 Double Ambig)
&rst
ixpk= 940, 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 20-2:941 28 GLU HG- 6.00 (# 941:20 Single Ambig)
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 396, 429,
igr2= 456, 457,
&end
#
# 28 GLU HB+ 28 GLU HG+ 2.60 (# 942:20 Unique 2.34, 2.74 A)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 453, 454,
igr2= 456, 457,
&end
#
# 28 GLU HB- 28 GLU HG+ 2.60 (# 943:20 Unique 2.34, 2.74 A)
&rst
ixpk= 943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 453, 454,
igr2= 456, 457,
&end
#
# 0 AMB 20-2:944 0 AMB 20-1:944 6.00 (# 944:20 Double Ambig)
&rst
ixpk= 944, 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 20-2:945 28 GLU HG- 6.00 (# 945:20 Single Ambig)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 431, 432, 431, 432,
igr2= 456, 457,
&end
#
# 0 AMB 20-2:946 0 AMB 20-1:946 6.00 (# 946:20 Double Ambig)
&rst
ixpk= 946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 382, 383, 382, 383,
igr2= 456, 457, 456, 457,
&end
#
# 0 AMB 20-2:947 28 GLU HG- 6.00 (# 947:20 Single Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 382, 383, 382, 383,
igr2= 456, 457,
&end
#
# 28 GLU HB- 28 GLU HG- 2.20 (# 948:20 Unique 2.34, 2.74 A)
&rst
ixpk= 948, 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 20-2:949 28 GLU HG- 2.20 (# 949:20 Single Ambig)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 453, 454, 533, 534,
igr2= 456, 457,
&end
#
# 32 LYS HB- 29 TRP HA 3.50 (# 950:20 Unique 2.45, 3.36 A)
&rst
ixpk= 950, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 524, 525,
&end
#
# 0 AMB 20-2:951 29 TRP HA 2.60 (# 951:20 Single Ambig)
&rst
ixpk= 951, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 468, 469, 468, 469,
&end
#
# 33 TRP HZ3 29 TRP HA 6.00 (# 953:20 Unique 2.49, 2.64 A)
&rst
ixpk= 953, nxpk= 20, iat= 559, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:954 29 TRP HA 2.60 (# 954:20 Single Ambig)
&rst
ixpk= 954, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 472, 520,
&end
#
# 33 TRP HE3 29 TRP HA 3.50 (# 955:20 Unique 2.09, 2.18 A)
&rst
ixpk= 955, nxpk= 20, iat= 561, 466, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 TRP HN 29 TRP HA 3.50 (# 957:20 Unique 2.84, 2.85 A)
&rst
ixpk= 957, nxpk= 20, iat= 464, 466, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 LYS HB+ 29 TRP HA 6.00 (# 960:20 Unique 2.45, 3.36 A)
&rst
ixpk= 960, nxpk= 20, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 524, 525,
&end
#
# 29 TRP HN 0 AMB 20-1:961 2.60 (# 961:20 Single Ambig)
&rst
ixpk= 961, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 468, 469, 468, 469,
&end
#
# 30 LYS HN 0 AMB 20-1:962 3.50 (# 962:20 Single Ambig)
&rst
ixpk= 962, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 468, 469, 468, 469,
&end
#
# 33 TRP HE3 0 AMB 20-1:963 3.50 (# 963:20 Single Ambig)
&rst
ixpk= 963, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 468, 469, 468, 469,
&end
#
# 0 AMB 20-2:964 0 AMB 20-1:964 3.50 (# 964:20 Double Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 472, 520,
igr2= 468, 469, 468, 469, 468, 469,
&end
#
# 41 TRP HE3 0 AMB 20-1:965 3.50 (# 965:20 Single Ambig)
&rst
ixpk= 965, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 468, 469, 468, 469,
&end
#
# 26 LEU HN 0 AMB 20-1:966 6.00 (# 966:20 Single Ambig)
&rst
ixpk= 966, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 468, 469, 468, 469,
&end
#
# 33 TRP HZ3 0 AMB 20-1:967 6.00 (# 967:20 Single Ambig)
&rst
ixpk= 967, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 468, 469, 468, 469,
&end
#
# 41 TRP HZ3 0 AMB 20-1:968 3.50 (# 968:20 Single Ambig)
&rst
ixpk= 968, nxpk= 20, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 468, 469, 468, 469,
&end
#
# 29 TRP HA 0 AMB 20-1:969 2.60 (# 969:20 Single Ambig)
&rst
ixpk= 969, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 468, 469, 468, 469,
&end
#
# 26 LEU HA 0 AMB 20-1:971 2.60 (# 971:20 Single Ambig)
&rst
ixpk= 971, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 468, 469, 468, 469,
&end
#
# 0 AMB 20-2:972 0 AMB 20-1:972 6.00 (# 972:20 Double Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.74, r4=12.24,
igr1= 614, 431, 432, 431, 432, 431, 432,
igr2= 468, 469, 468, 469, 468, 469, 468, 469,
&end
#
# 0 AMB 20-2:973 0 AMB 20-1:973 6.00 (# 973:20 Double Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 415, 524, 525, 412, 413, 530, 531, 530, 531,
igr2= 468, 469, 468, 469, 468, 469, 468, 469, 468, 469,
&end
#
# 38 VAL MGY 0 AMB 20-1:974 2.60 (# 974:20 Single Ambig)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 468, 469, 468, 469,
&end
#
# 26 LEU MDX 0 AMB 20-1:975 6.00 (# 975:20 Single Ambig)
&rst
ixpk= 975, 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= 468, 469, 468, 469,
&end
#
# 38 VAL MGX 0 AMB 20-1:976 2.60 (# 976:20 Single Ambig)
&rst
ixpk= 976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 468, 469, 468, 469,
&end
#
# 26 LEU MDY 0 AMB 20-1:977 3.50 (# 977:20 Single Ambig)
&rst
ixpk= 977, 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= 468, 469, 468, 469,
&end
#
# 16 ILE MD1 0 AMB 20-1:978 6.00 (# 978:20 Single Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 269, 270, 271,
igr2= 468, 469, 468, 469,
&end
#
# 0 AMB 20-2:979 0 AMB 20-1:979 6.00 (# 979:20 Double Ambig)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 658, 659, 658, 659, 583, 522,
igr2= 468, 469, 468, 469, 468, 469, 468, 469,
&end
#
# 30 LYS HN 30 LYS HA 3.50 (# 980:20 Unique 2.90, 2.91 A)
&rst
ixpk= 980, 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 (# 981:20 Unique 3.78, 3.83 A)
&rst
ixpk= 981, nxpk= 20, iat= 542, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:982 30 LYS HA 3.50 (# 982:20 Single Ambig)
&rst
ixpk= 982, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 510, 628,
&end
#
# 0 AMB 20-2:983 30 LYS HA 3.50 (# 983:20 Single Ambig)
&rst
ixpk= 983, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 566, 520,
&end
#
# 38 VAL HN 30 LYS HA 6.00 (# 984:20 Unique 4.19, 4.23 A)
&rst
ixpk= 984, nxpk= 20, iat= 612, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:985 30 LYS HA 6.00 (# 985:20 Single Ambig)
&rst
ixpk= 985, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 512, 451,
&end
#
# 35 PRO HA 30 LYS HA 3.50 (# 986:20 Unique 2.62, 2.70 A)
&rst
ixpk= 986, nxpk= 20, iat= 583, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 PRO HB+ 30 LYS HA 6.00 (# 990:20 Unique 3.95, 4.65 A)
&rst
ixpk= 990, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 580, 581,
&end
#
# 30 LYS HG+ 30 LYS HA 2.60 (# 991:20 Unique 2.45, 2.79 A)
&rst
ixpk= 991, 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 (# 992:20 Unique 2.49, 2.78 A)
&rst
ixpk= 992, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 492, 493,
&end
#
# 31 ALA MB 30 LYS HA 6.00 (# 993:20 Unique 5.78, 6.09 A)
&rst
ixpk= 993, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 514, 515, 516,
&end
#
# 0 AMB 20-2:994 30 LYS HA 6.00 (# 994:20 Single Ambig)
&rst
ixpk= 994, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 498, 499, 498, 499,
&end
#
# 30 LYS HG- 30 LYS HA 2.60 (# 995:20 Unique 2.45, 2.79 A)
&rst
ixpk= 995, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 495, 496,
&end
#
# 38 VAL MGY 30 LYS HA 3.50 (# 996:20 Unique 2.29, 3.85 A)
&rst
ixpk= 996, 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 (# 997:20 Unique 2.29, 3.85 A)
&rst
ixpk= 997, 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
#
# 0 AMB 20-2:998 30 LYS HA 3.50 (# 998:20 Single Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 574, 575, 429,
&end
#
# 30 LYS HN 30 LYS HB- 3.50 (# 999:20 Unique 2.46, 3.08 A)
&rst
ixpk= 999, 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+ 2.60 (# 1000:20 Unique 2.46, 3.08 A)
&rst
ixpk= 1000, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 492, 493,
&end
#
# 31 ALA HN 30 LYS HB- 3.50 (# 1001:20 Unique 2.69, 3.21 A)
&rst
ixpk= 1001, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 492, 493,
&end
#
# 31 ALA HN 30 LYS HB+ 3.50 (# 1002:20 Unique 2.69, 3.21 A)
&rst
ixpk= 1002, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 492, 493,
&end
#
# 0 AMB 20-2:1003 0 AMB 20-1:1003 6.00 (# 1003:20 Double Ambig)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 566, 520,
igr2= 492, 493, 492, 493,
&end
#
# 0 AMB 20-2:1004 30 LYS HB- 6.00 (# 1004:20 Single Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 566, 520,
igr2= 492, 493,
&end
#
# 0 AMB 20-2:1005 0 AMB 20-1:1005 2.60 (# 1005:20 Double Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 277, 100,
igr2= 279, 280, 279, 280,
&end
#
# 0 AMB 20-2:1006 0 AMB 20-1:1006 3.50 (# 1006:20 Double Ambig)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 512, 451,
igr2= 492, 493, 492, 493,
&end
#
# 35 PRO HA 30 LYS HB- 2.60 (# 1007:20 Unique 2.56, 3.38 A)
&rst
ixpk= 1007, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 492, 493,
&end
#
# 30 LYS HA 30 LYS HB- 2.60 (# 1008:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1008, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 492, 493,
&end
#
# 30 LYS HA 30 LYS HB+ 3.50 (# 1009:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1009, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 492, 493,
&end
#
# 27 LYS HA 30 LYS HB+ 2.60 (# 1010:20 Unique 2.63, 3.47 A)
&rst
ixpk= 1010, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 492, 493,
&end
#
# 27 LYS HA 30 LYS HB- 2.60 (# 1011:20 Unique 2.63, 3.47 A)
&rst
ixpk= 1011, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 492, 493,
&end
#
# 30 LYS HE- 30 LYS HB- 6.00 (# 1013:20 Unique 2.67, 3.71 A)
&rst
ixpk= 1013, 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 HE+ 30 LYS HB- 6.00 (# 1014:20 Unique 2.67, 3.71 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 501, 502,
igr2= 492, 493,
&end
#
# 35 PRO HB+ 30 LYS HB- 3.50 (# 1015:20 Unique 2.21, 3.95 A)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 580, 581,
igr2= 492, 493,
&end
#
# 30 LYS HG- 30 LYS HB+ 2.60 (# 1016:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 495, 496,
igr2= 492, 493,
&end
#
# 30 LYS HG- 30 LYS HB- 2.60 (# 1017:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 495, 496,
igr2= 492, 493,
&end
#
# 38 VAL MGX 30 LYS HB- 3.50 (# 1018:20 Unique 4.44, 5.63 A)
&rst
ixpk= 1018, 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= 492, 493,
&end
#
# 30 LYS HN 30 LYS HG+ 3.50 (# 1019:20 Unique 2.24, 2.89 A)
&rst
ixpk= 1019, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 495, 496,
&end
#
# 30 LYS HN 30 LYS HG- 3.50 (# 1020:20 Unique 2.24, 2.89 A)
&rst
ixpk= 1020, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 495, 496,
&end
#
# 0 AMB 20-2:1021 0 AMB 20-1:1021 6.00 (# 1021:20 Double Ambig)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 628, 510, 427,
igr2= 495, 496, 495, 496, 495, 496,
&end
#
# 0 AMB 20-2:1022 30 LYS HG- 6.00 (# 1022:20 Single Ambig)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 628, 510, 427,
igr2= 495, 496,
&end
#
# 0 AMB 20-2:1023 30 LYS HG- 6.00 (# 1023:20 Single Ambig)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 612, 123, 132,
igr2= 495, 496,
&end
#
# 35 PRO HA 30 LYS HG- 2.60 (# 1024:20 Unique 2.12, 3.01 A)
&rst
ixpk= 1024, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 495, 496,
&end
#
# 35 PRO HA 30 LYS HG+ 3.50 (# 1025:20 Unique 2.12, 3.01 A)
&rst
ixpk= 1025, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 495, 496,
&end
#
# 27 LYS HA 30 LYS HG+ 6.00 (# 1026:20 Unique 3.30, 4.19 A)
&rst
ixpk= 1026, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 495, 496,
&end
#
# 27 LYS HA 30 LYS HG- 6.00 (# 1027:20 Unique 3.30, 4.19 A)
&rst
ixpk= 1027, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 495, 496,
&end
#
# 30 LYS HA 30 LYS HG- 2.60 (# 1028:20 Unique 2.45, 2.79 A)
&rst
ixpk= 1028, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 495, 496,
&end
#
# 30 LYS HA 30 LYS HG+ 3.50 (# 1029:20 Unique 2.45, 2.79 A)
&rst
ixpk= 1029, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 495, 496,
&end
#
# 30 LYS HE- 30 LYS HG- 3.50 (# 1031:20 Unique 2.24, 3.08 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 501, 502,
igr2= 495, 496,
&end
#
# 30 LYS HE- 30 LYS HG+ 6.00 (# 1032:20 Unique 2.24, 3.08 A)
&rst
ixpk= 1032, 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+ 3.50 (# 1033:20 Unique 2.24, 3.08 A)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 501, 502,
igr2= 495, 496,
&end
#
# 30 LYS HE+ 30 LYS HG- 3.50 (# 1034:20 Unique 2.24, 3.08 A)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 501, 502,
igr2= 495, 496,
&end
#
# 35 PRO HB+ 30 LYS HG+ 6.00 (# 1035:20 Unique 3.30, 4.57 A)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 580, 581,
igr2= 495, 496,
&end
#
# 35 PRO HB+ 30 LYS HG- 6.00 (# 1036:20 Unique 3.30, 4.57 A)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 580, 581,
igr2= 495, 496,
&end
#
# 35 PRO HB- 30 LYS HG- 3.50 (# 1037:20 Unique 3.30, 4.57 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 580, 581,
igr2= 495, 496,
&end
#
# 30 LYS HB- 30 LYS HG+ 2.20 (# 1038:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 492, 493,
igr2= 495, 496,
&end
#
# 0 AMB 20-2:1039 30 LYS HG- 2.20 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 616, 492, 493,
igr2= 495, 496,
&end
#
# 38 VAL MGY 30 LYS HG+ 3.50 (# 1040:20 Unique 2.33, 3.77 A)
&rst
ixpk= 1040, 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 MGY 30 LYS HG- 3.50 (# 1041:20 Unique 2.33, 3.77 A)
&rst
ixpk= 1041, 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- 3.50 (# 1042:20 Unique 2.33, 3.77 A)
&rst
ixpk= 1042, 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+ 3.50 (# 1043:20 Unique 2.33, 3.77 A)
&rst
ixpk= 1043, 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
#
# 26 LEU MDY 30 LYS HG+ 6.00 (# 1044:20 Unique 2.67, 4.96 A)
&rst
ixpk= 1044, 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= 495, 496,
&end
#
# 30 LYS HB+ 30 LYS HG+ 2.20 (# 1045:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 492, 493,
igr2= 495, 496,
&end
#
# 30 LYS HB+ 30 LYS HG- 2.60 (# 1046:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 492, 493,
igr2= 495, 496,
&end
#
# 7 TYR HE 0 AMB 20-1:1047 6.00 (# 1047:20 Single Ambig)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 125, 130,
igr2= 498, 499, 498, 499,
&end
#
# 30 LYS HA 0 AMB 20-1:1049 6.00 (# 1049:20 Single Ambig)
&rst
ixpk= 1049, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 498, 499, 498, 499,
&end
#
# 0 AMB 20-2:1050 0 AMB 20-1:1050 4.50 (# 1050:20 Double Ambig)
&rst
ixpk= 1050, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 498, 499, 498, 499,
&end
#
# 27 LYS HA 0 AMB 20-1:1051 3.50 (# 1051:20 Single Ambig)
&rst
ixpk= 1051, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 498, 499, 498, 499,
&end
#
# 30 LYS HE- 0 AMB 20-1:1052 2.60 (# 1052:20 Single Ambig)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 501, 502,
igr2= 498, 499, 498, 499,
&end
#
# 0 AMB 20-2:1054 0 AMB 20-1:1054 3.50 (# 1054:20 Double Ambig)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 501, 502, 501, 502,
igr2= 498, 499, 498, 499,
&end
#
# 0 AMB 20-2:1055 0 AMB 20-1:1055 3.50 (# 1055:20 Double Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 580, 581, 580, 581,
igr2= 498, 499, 498, 499,
&end
#
# 38 VAL MGY 0 AMB 20-1:1056 3.50 (# 1056:20 Single Ambig)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 618, 619, 620, 622, 623, 624,
igr2= 498, 499, 498, 499,
&end
#
# 0 AMB 20-2:1057 0 AMB 20-1:1057 2.60 (# 1057:20 Double Ambig)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 415, 495, 496,
igr2= 498, 499, 498, 499, 498, 499,
&end
#
# 0 AMB 20-2:1059 0 AMB 20-1:1059 2.60 (# 1059:20 Double Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 495, 496, 495, 496,
igr2= 498, 499, 498, 499,
&end
#
# 0 AMB 20-2:1060 0 AMB 20-1:1060 2.60 (# 1060:20 Double Ambig)
&rst
ixpk= 1060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 492, 493, 492, 493,
igr2= 498, 499, 498, 499,
&end
#
# 35 PRO HA 30 LYS HE- 3.50 (# 1061:20 Unique 2.53, 2.96 A)
&rst
ixpk= 1061, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 501, 502,
&end
#
# 0 AMB 20-2:1062 30 LYS HE- 3.50 (# 1062:20 Single Ambig)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 635, 636, 635, 636,
igr2= 501, 502,
&end
#
# 30 LYS HG+ 30 LYS HE- 3.50 (# 1063:20 Unique 2.24, 3.08 A)
&rst
ixpk= 1063, 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 HG+ 30 LYS HE+ 3.50 (# 1064:20 Unique 2.24, 3.08 A)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 495, 496,
igr2= 501, 502,
&end
#
# 0 AMB 20-2:1065 0 AMB 20-1:1065 2.60 (# 1065:20 Double Ambig)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 498, 499, 498, 499,
igr2= 501, 502, 501, 502,
&end
#
# 0 AMB 20-2:1066 30 LYS HE- 2.60 (# 1066:20 Single Ambig)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 498, 499, 498, 499,
igr2= 501, 502,
&end
#
# 30 LYS HG- 30 LYS HE- 2.60 (# 1067:20 Unique 2.24, 3.08 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 495, 496,
igr2= 501, 502,
&end
#
# 38 VAL MGY 30 LYS HE- 3.50 (# 1068:20 Unique 3.57, 5.69 A)
&rst
ixpk= 1068, 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 MGY 30 LYS HE+ 3.50 (# 1069:20 Unique 3.57, 5.69 A)
&rst
ixpk= 1069, 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
#
# 30 LYS HG- 30 LYS HE+ 2.60 (# 1070:20 Unique 2.24, 3.08 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 495, 496,
igr2= 501, 502,
&end
#
# 26 LEU MDX 30 LYS HE+ 3.50 (# 1071:20 Unique 4.03, 5.95 A)
&rst
ixpk= 1071, 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
#
# 26 LEU MDY 30 LYS HE+ 3.50 (# 1072:20 Unique 4.03, 5.95 A)
&rst
ixpk= 1072, 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
#
# 26 LEU MDX 30 LYS HE- 6.00 (# 1073:20 Unique 4.03, 5.95 A)
&rst
ixpk= 1073, 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 (# 1074:20 Unique 4.03, 5.95 A)
&rst
ixpk= 1074, 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
#
# 35 PRO HA 30 LYS HE+ 6.00 (# 1075:20 Unique 2.53, 2.96 A)
&rst
ixpk= 1075, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 501, 502,
&end
#
# 31 ALA HN 31 ALA HA 3.50 (# 1078:20 Unique 2.85, 2.85 A)
&rst
ixpk= 1078, nxpk= 20, iat= 510, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1079 31 ALA HA 3.50 (# 1079:20 Single Ambig)
&rst
ixpk= 1079, 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 (# 1080:20 Unique 4.42, 4.53 A)
&rst
ixpk= 1080, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 492, 493,
&end
#
# 30 LYS HB- 31 ALA HA 6.00 (# 1081:20 Unique 4.42, 4.53 A)
&rst
ixpk= 1081, 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 (# 1082:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1082, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 514, 515, 516,
&end
#
# 31 ALA HN 31 ALA MB 2.20 (# 1083:20 Unique 2.46, 2.85 A)
&rst
ixpk= 1083, 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 (# 1084:20 Unique 2.66, 3.46 A)
&rst
ixpk= 1084, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1085 31 ALA MB 2.20 (# 1085:20 Single Ambig)
&rst
ixpk= 1085, 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
#
# 33 TRP HN 32 LYS HA 3.50 (# 1086:20 Unique 3.48, 3.53 A)
&rst
ixpk= 1086, 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 (# 1087:20 Unique 5.34, 5.34 A)
&rst
ixpk= 1087, nxpk= 20, iat= 510, 522, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1088 32 LYS HA 3.50 (# 1088:20 Single Ambig)
&rst
ixpk= 1088, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 520, 566,
&end
#
# 0 AMB 20-2:1090 32 LYS HA 6.00 (# 1090:20 Single Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534, 456, 457,
&end
#
# 32 LYS HB+ 32 LYS HA 2.60 (# 1091:20 Unique 2.54, 2.80 A)
&rst
ixpk= 1091, 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 (# 1092:20 Unique 2.54, 2.80 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 524, 525,
&end
#
# 32 LYS HG+ 32 LYS HA 2.60 (# 1095:20 Unique 2.30, 2.68 A)
&rst
ixpk= 1095, 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 (# 1096:20 Unique 2.30, 2.68 A)
&rst
ixpk= 1096, 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 (# 1097:20 Unique 2.81, 3.33 A)
&rst
ixpk= 1097, 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- 3.50 (# 1098:20 Unique 2.81, 3.33 A)
&rst
ixpk= 1098, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 524, 525,
&end
#
# 32 LYS HN 32 LYS HB+ 3.50 (# 1101:20 Unique 2.25, 2.96 A)
&rst
ixpk= 1101, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 524, 525,
&end
#
# 33 TRP HD1 32 LYS HB+ 6.00 (# 1102:20 Unique 4.82, 5.55 A)
&rst
ixpk= 1102, nxpk= 20, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 33 TRP HD1 32 LYS HB- 6.00 (# 1103:20 Unique 4.82, 5.55 A)
&rst
ixpk= 1103, nxpk= 20, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 32 LYS HN 32 LYS HB- 3.50 (# 1104:20 Unique 2.25, 2.96 A)
&rst
ixpk= 1104, 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 (# 1105:20 Unique 2.45, 3.36 A)
&rst
ixpk= 1105, nxpk= 20, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 29 TRP HA 32 LYS HB- 6.00 (# 1106:20 Unique 2.45, 3.36 A)
&rst
ixpk= 1106, 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 (# 1107:20 Unique 2.54, 2.80 A)
&rst
ixpk= 1107, 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 (# 1108:20 Unique 2.54, 2.80 A)
&rst
ixpk= 1108, 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 (# 1112:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1112, 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 (# 1113:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1113, 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 (# 1114:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1114, 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 (# 1115:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 527, 528,
igr2= 524, 525,
&end
#
# 32 LYS HN 32 LYS HG+ 6.00 (# 1119:20 Unique 2.50, 3.27 A)
&rst
ixpk= 1119, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 527, 528,
&end
#
# 32 LYS HN 32 LYS HG- 6.00 (# 1120:20 Unique 2.50, 3.27 A)
&rst
ixpk= 1120, 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+ 3.50 (# 1121:20 Unique 2.30, 2.68 A)
&rst
ixpk= 1121, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 527, 528,
&end
#
# 32 LYS HA 32 LYS HG- 6.00 (# 1122:20 Unique 2.30, 2.68 A)
&rst
ixpk= 1122, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 527, 528,
&end
#
# 32 LYS HE+ 32 LYS HG- 6.00 (# 1123:20 Unique 2.38, 3.07 A)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 527, 528,
&end
#
# 0 AMB 20-2:1124 32 LYS HG- 6.00 (# 1124:20 Single Ambig)
&rst
ixpk= 1124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 533, 534, 453, 454,
igr2= 527, 528,
&end
#
# 0 AMB 20-2:1125 0 AMB 20-1:1125 6.00 (# 1125:20 Double Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 533, 534, 453, 454,
igr2= 527, 528, 527, 528,
&end
#
# 32 LYS HE+ 32 LYS HG+ 6.00 (# 1126:20 Unique 2.38, 3.07 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 527, 528,
&end
#
# 32 LYS HB+ 32 LYS HG- 3.50 (# 1127:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 524, 525,
igr2= 527, 528,
&end
#
# 0 AMB 20-2:1128 32 LYS HG- 3.50 (# 1128:20 Single Ambig)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 530, 531, 524, 525,
igr2= 527, 528,
&end
#
# 32 LYS HB+ 32 LYS HG+ 2.60 (# 1129:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1129, 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 (# 1131:20 Unique 2.29, 2.74 A)
&rst
ixpk= 1131, 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 HD- 32 LYS HG- 3.50 (# 1133:20 Unique 2.29, 2.74 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 530, 531,
igr2= 527, 528,
&end
#
# 32 LYS HA 32 LYS HD+ 6.00 (# 1137:20 Unique 2.65, 4.44 A)
&rst
ixpk= 1137, 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+ 6.00 (# 1138:20 Unique 2.31, 2.71 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534,
igr2= 530, 531,
&end
#
# 0 AMB 20-2:1139 0 AMB 20-1:1139 6.00 (# 1139:20 Double Ambig)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 533, 534, 453, 454,
igr2= 530, 531, 530, 531,
&end
#
# 32 LYS HB+ 32 LYS HD+ 3.50 (# 1140:20 Unique 2.38, 2.94 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 524, 525,
igr2= 530, 531,
&end
#
# 32 LYS HG+ 32 LYS HD+ 3.50 (# 1142:20 Unique 2.29, 2.74 A)
&rst
ixpk= 1142, 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- 3.50 (# 1143:20 Unique 2.29, 2.74 A)
&rst
ixpk= 1143, 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 (# 1144:20 Unique 2.29, 2.74 A)
&rst
ixpk= 1144, 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 HG- 32 LYS HE+ 6.00 (# 1145:20 Unique 2.38, 3.07 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 527, 528,
igr2= 533, 534,
&end
#
# 32 LYS HG- 32 LYS HE- 6.00 (# 1146:20 Unique 2.38, 3.07 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 527, 528,
igr2= 533, 534,
&end
#
# 32 LYS HG+ 32 LYS HE+ 6.00 (# 1147:20 Unique 2.38, 3.07 A)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 527, 528,
igr2= 533, 534,
&end
#
# 32 LYS HG+ 32 LYS HE- 3.50 (# 1148:20 Unique 2.38, 3.07 A)
&rst
ixpk= 1148, 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 HD- 32 LYS HE- 6.00 (# 1150:20 Unique 2.31, 2.71 A)
&rst
ixpk= 1150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 530, 531,
igr2= 533, 534,
&end
#
# 32 LYS HD- 32 LYS HE+ 3.50 (# 1151:20 Unique 2.31, 2.71 A)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 530, 531,
igr2= 533, 534,
&end
#
# 0 AMB 20-2:1152 0 AMB 20-1:1152 3.50 (# 1152:20 Double Ambig)
&rst
ixpk= 1152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 530, 531, 524, 525,
igr2= 533, 534, 533, 534,
&end
#
# 32 LYS HD+ 32 LYS HE- 3.50 (# 1153:20 Unique 2.31, 2.71 A)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 530, 531,
igr2= 533, 534,
&end
#
# 28 GLU HG- 32 LYS HE- 2.60 (# 1154:20 Unique 2.70, 4.17 A)
&rst
ixpk= 1154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 456, 457,
igr2= 533, 534,
&end
#
# 28 GLU HG- 32 LYS HE+ 3.50 (# 1155:20 Unique 2.70, 4.17 A)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 456, 457,
igr2= 533, 534,
&end
#
# 33 TRP HZ2 32 LYS HE+ 6.00 (# 1156:20 Unique 6.24, 6.87 A)
&rst
ixpk= 1156, 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 (# 1157:20 Unique 6.24, 6.87 A)
&rst
ixpk= 1157, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 533, 534,
&end
#
# 0 AMB 20-2:1159 32 LYS HE- 6.00 (# 1159:20 Single Ambig)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 472, 520,
igr2= 533, 534,
&end
#
# 0 AMB 20-2:1160 34 GLY HA- 3.50 (# 1160:20 Single Ambig)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 577, 578, 591, 592,
igr2= 568, 569,
&end
#
# 35 PRO HG+ 34 GLY HA- 6.00 (# 1161:20 Unique 4.32, 4.89 A)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 577, 578,
igr2= 568, 569,
&end
#
# 35 PRO HD- 34 GLY HA- 2.20 (# 1163:20 Unique 2.12, 2.95 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 574, 575,
igr2= 568, 569,
&end
#
# 35 PRO HD+ 34 GLY HA- 2.20 (# 1164:20 Unique 2.12, 2.95 A)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 574, 575,
igr2= 568, 569,
&end
#
# 34 GLY HN 34 GLY HA- 2.60 (# 1172:20 Unique 2.35, 2.67 A)
&rst
ixpk= 1172, 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+ 6.00 (# 1173:20 Unique 2.35, 2.67 A)
&rst
ixpk= 1173, nxpk= 20, iat= 566, -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 (# 1174:20 Unique 3.88, 4.11 A)
&rst
ixpk= 1174, 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 (# 1175:20 Unique 3.38, 4.12 A)
&rst
ixpk= 1175, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 568, 569,
&end
#
# 36 GLU HN 35 PRO HA 6.00 (# 1176:20 Unique 3.61, 3.61 A)
&rst
ixpk= 1176, 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 (# 1177:20 Unique 4.48, 4.52 A)
&rst
ixpk= 1177, nxpk= 20, iat= 602, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1178 35 PRO HA 6.00 (# 1178:20 Single Ambig)
&rst
ixpk= 1178, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 628, 510,
&end
#
# 38 VAL HN 35 PRO HA 6.00 (# 1179:20 Unique 3.48, 3.54 A)
&rst
ixpk= 1179, nxpk= 20, iat= 612, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HA 35 PRO HA 3.50 (# 1182:20 Unique 2.62, 2.70 A)
&rst
ixpk= 1182, nxpk= 20, iat= 490, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 PRO HD+ 35 PRO HA 3.50 (# 1183:20 Unique 3.32, 3.70 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 574, 575,
&end
#
# 30 LYS HE- 35 PRO HA 3.50 (# 1184:20 Unique 2.53, 2.96 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 501, 502,
&end
#
# 30 LYS HE+ 35 PRO HA 6.00 (# 1185:20 Unique 2.53, 2.96 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 0 AMB 20-2:1186 35 PRO HA 6.00 (# 1186:20 Single Ambig)
&rst
ixpk= 1186, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 635, 636, 635, 636,
&end
#
# 35 PRO HB+ 35 PRO HA 2.60 (# 1187:20 Unique 2.26, 2.54 A)
&rst
ixpk= 1187, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 580, 581,
&end
#
# 35 PRO HB- 35 PRO HA 2.60 (# 1188:20 Unique 2.26, 2.54 A)
&rst
ixpk= 1188, 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 (# 1189:20 Unique 2.12, 3.01 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 495, 496,
&end
#
# 0 AMB 20-2:1190 35 PRO HA 2.60 (# 1190:20 Single Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 616, 498, 499,
&end
#
# 37 ALA MB 35 PRO HA 6.00 (# 1191:20 Unique 5.23, 6.22 A)
&rst
ixpk= 1191, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 30 LYS HG- 35 PRO HA 2.60 (# 1193:20 Unique 2.12, 3.01 A)
&rst
ixpk= 1193, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 495, 496,
&end
#
# 38 VAL MGY 35 PRO HA 6.00 (# 1195:20 Unique 3.88, 4.64 A)
&rst
ixpk= 1195, 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 (# 1196:20 Unique 3.88, 4.64 A)
&rst
ixpk= 1196, 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 20-2:1197 35 PRO HA 3.50 (# 1197:20 Single Ambig)
&rst
ixpk= 1197, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 577, 578, 632, 633,
&end
#
# 35 PRO HG+ 35 PRO HA 3.50 (# 1198:20 Unique 3.87, 3.93 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 577, 578,
&end
#
# 35 PRO HD- 35 PRO HA 3.50 (# 1199:20 Unique 3.32, 3.70 A)
&rst
ixpk= 1199, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 574, 575,
&end
#
# 30 LYS HG- 35 PRO HB+ 6.00 (# 1200:20 Unique 3.30, 4.57 A)
&rst
ixpk= 1200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496,
igr2= 580, 581,
&end
#
# 0 AMB 20-2:1201 0 AMB 20-1:1201 2.60 (# 1201:20 Double Ambig)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 498, 499, 498, 499, 616,
igr2= 580, 581, 580, 581, 580, 581,
&end
#
# 0 AMB 20-2:1202 35 PRO HB- 3.50 (# 1202:20 Single Ambig)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 498, 499, 498, 499,
igr2= 580, 581,
&end
#
# 35 PRO HG+ 35 PRO HB+ 2.20 (# 1204:20 Unique 2.29, 2.60 A)
&rst
ixpk= 1204, 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 HD- 35 PRO HB+ 3.50 (# 1205:20 Unique 2.91, 3.71 A)
&rst
ixpk= 1205, 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 (# 1206:20 Unique 2.91, 3.71 A)
&rst
ixpk= 1206, 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 (# 1207:20 Unique 2.26, 2.54 A)
&rst
ixpk= 1207, 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 (# 1208:20 Unique 2.26, 2.54 A)
&rst
ixpk= 1208, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 580, 581,
&end
#
# 36 GLU HN 35 PRO HB- 3.50 (# 1210:20 Unique 3.26, 3.78 A)
&rst
ixpk= 1210, 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+ 6.00 (# 1211:20 Unique 3.26, 3.78 A)
&rst
ixpk= 1211, nxpk= 20, iat= 587, -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 (# 1212:20 Unique 2.91, 3.71 A)
&rst
ixpk= 1212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 574, 575,
igr2= 580, 581,
&end
#
# 36 GLU HN 35 PRO HG+ 3.50 (# 1213:20 Unique 2.65, 3.44 A)
&rst
ixpk= 1213, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 577, 578,
&end
#
# 36 GLU HN 35 PRO HG- 6.00 (# 1214:20 Unique 2.65, 3.44 A)
&rst
ixpk= 1214, nxpk= 20, iat= 587, -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 (# 1215:20 Unique 4.32, 4.89 A)
&rst
ixpk= 1215, 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 (# 1216:20 Unique 4.32, 4.89 A)
&rst
ixpk= 1216, 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 (# 1217:20 Unique 4.32, 4.89 A)
&rst
ixpk= 1217, 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 (# 1218:20 Unique 4.32, 4.89 A)
&rst
ixpk= 1218, 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 (# 1219:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1219, 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 (# 1220:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1220, 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 (# 1221:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1221, 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+ 3.50 (# 1222:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 574, 575,
igr2= 577, 578,
&end
#
# 0 AMB 20-2:1223 0 AMB 20-1:1223 2.60 (# 1223:20 Double Ambig)
&rst
ixpk= 1223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 580, 581, 594, 595,
igr2= 577, 578, 577, 578,
&end
#
# 0 AMB 20-2:1224 35 PRO HG- 2.60 (# 1224:20 Single Ambig)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 580, 581, 594, 595,
igr2= 577, 578,
&end
#
# 30 LYS HB- 35 PRO HG+ 6.00 (# 1229:20 Unique 3.79, 5.15 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 492, 493,
igr2= 577, 578,
&end
#
# 30 LYS HB- 35 PRO HG- 3.50 (# 1230:20 Unique 3.79, 5.15 A)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 492, 493,
igr2= 577, 578,
&end
#
# 0 AMB 20-2:1231 35 PRO HG- 6.00 (# 1231:20 Single Ambig)
&rst
ixpk= 1231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 498, 499, 498, 499,
igr2= 577, 578,
&end
#
# 0 AMB 20-2:1232 0 AMB 20-1:1232 6.00 (# 1232:20 Double Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 498, 499, 498, 499,
igr2= 577, 578, 577, 578,
&end
#
# 30 LYS HG- 35 PRO HG- 6.00 (# 1234:20 Unique 5.42, 6.35 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496,
igr2= 577, 578,
&end
#
# 35 PRO HA 35 PRO HG+ 3.50 (# 1237:20 Unique 3.87, 3.93 A)
&rst
ixpk= 1237, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 577, 578,
&end
#
# 35 PRO HA 35 PRO HG- 3.50 (# 1238:20 Unique 3.87, 3.93 A)
&rst
ixpk= 1238, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 577, 578,
&end
#
# 36 GLU HN 35 PRO HD+ 3.50 (# 1239:20 Unique 3.09, 3.69 A)
&rst
ixpk= 1239, 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- 3.50 (# 1240:20 Unique 3.09, 3.69 A)
&rst
ixpk= 1240, nxpk= 20, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 574, 575,
&end
#
# 34 GLY HN 35 PRO HD+ 6.00 (# 1242:20 Unique 3.72, 4.06 A)
&rst
ixpk= 1242, 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- 6.00 (# 1243:20 Unique 3.72, 4.06 A)
&rst
ixpk= 1243, nxpk= 20, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 574, 575,
&end
#
# 34 GLY HA+ 35 PRO HD+ 2.60 (# 1245:20 Unique 2.12, 2.95 A)
&rst
ixpk= 1245, 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 (# 1246:20 Unique 2.12, 2.95 A)
&rst
ixpk= 1246, 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 (# 1251:20 Unique 2.12, 2.95 A)
&rst
ixpk= 1251, 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 (# 1252:20 Unique 2.12, 2.95 A)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 568, 569,
igr2= 574, 575,
&end
#
# 35 PRO HG+ 35 PRO HD+ 2.60 (# 1261:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1261, 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 (# 1262:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1262, 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 (# 1263:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1263, 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 (# 1264:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 577, 578,
igr2= 574, 575,
&end
#
# 0 AMB 20-2:1265 0 AMB 20-1:1265 3.50 (# 1265:20 Double Ambig)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 580, 581, 594, 595,
igr2= 574, 575, 574, 575,
&end
#
# 0 AMB 20-2:1266 35 PRO HD- 3.50 (# 1266:20 Single Ambig)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 580, 581, 594, 595,
igr2= 574, 575,
&end
#
# 30 LYS HB- 35 PRO HD+ 6.00 (# 1269:20 Unique 3.04, 4.69 A)
&rst
ixpk= 1269, 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 (# 1270:20 Unique 3.04, 4.69 A)
&rst
ixpk= 1270, 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 HG- 35 PRO HD- 6.00 (# 1273:20 Unique 4.77, 6.00 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 495, 496,
igr2= 574, 575,
&end
#
# 36 GLU HN 36 GLU HA 2.80 (# 1274:20 Unique 2.76, 2.77 A)
&rst
ixpk= 1274, nxpk= 20, iat= 587, 589, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 ALA HN 36 GLU HA 3.50 (# 1275:20 Unique 3.52, 3.52 A)
&rst
ixpk= 1275, nxpk= 20, iat= 602, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLU HN 36 GLU HA 3.50 (# 1276:20 Unique 3.52, 3.53 A)
&rst
ixpk= 1276, nxpk= 20, iat= 628, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 GLU HG- 36 GLU HA 2.60 (# 1277:20 Unique 2.44, 2.81 A)
&rst
ixpk= 1277, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 594, 595,
&end
#
# 39 GLU HB+ 36 GLU HA 3.50 (# 1278:20 Unique 2.79, 3.69 A)
&rst
ixpk= 1278, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 632, 633,
&end
#
# 36 GLU HB- 36 GLU HA 2.60 (# 1279:20 Unique 2.53, 2.79 A)
&rst
ixpk= 1279, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 591, 592,
&end
#
# 37 ALA MB 36 GLU HA 6.00 (# 1281:20 Unique 5.77, 6.10 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 36 GLU HG+ 36 GLU HA 2.60 (# 1282:20 Unique 2.44, 2.81 A)
&rst
ixpk= 1282, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 594, 595,
&end
#
# 36 GLU HN 36 GLU HB+ 2.60 (# 1283:20 Unique 2.30, 2.97 A)
&rst
ixpk= 1283, 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 (# 1284:20 Unique 2.30, 2.97 A)
&rst
ixpk= 1284, 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 (# 1285:20 Unique 2.61, 3.11 A)
&rst
ixpk= 1285, 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- 3.50 (# 1286:20 Unique 2.61, 3.11 A)
&rst
ixpk= 1286, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 591, 592,
&end
#
# 36 GLU HA 36 GLU HB- 2.60 (# 1287:20 Unique 2.53, 2.79 A)
&rst
ixpk= 1287, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 591, 592,
&end
#
# 36 GLU HA 36 GLU HB+ 2.60 (# 1288:20 Unique 2.53, 2.79 A)
&rst
ixpk= 1288, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 591, 592,
&end
#
# 36 GLU HG- 36 GLU HB+ 2.20 (# 1289:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 594, 595,
igr2= 591, 592,
&end
#
# 36 GLU HG- 36 GLU HB- 2.60 (# 1290:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 594, 595,
igr2= 591, 592,
&end
#
# 36 GLU HG+ 36 GLU HB+ 2.60 (# 1291:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 594, 595,
igr2= 591, 592,
&end
#
# 36 GLU HG+ 36 GLU HB- 2.20 (# 1292:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 594, 595,
igr2= 591, 592,
&end
#
# 37 ALA MB 36 GLU HB+ 6.00 (# 1295:20 Unique 4.37, 5.47 A)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 606, 607, 608,
igr2= 591, 592,
&end
#
# 37 ALA MB 0 AMB 20-1:1296 6.00 (# 1296:20 Single Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 606, 607, 608,
igr2= 591, 592, 632, 633,
&end
#
# 36 GLU HN 36 GLU HG- 3.50 (# 1299:20 Unique 2.27, 2.89 A)
&rst
ixpk= 1299, 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- 6.00 (# 1300:20 Unique 4.40, 4.71 A)
&rst
ixpk= 1300, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 594, 595,
&end
#
# 0 AMB 20-2:1302 0 AMB 20-1:1302 6.00 (# 1302:20 Double Ambig)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
igr1= 246, 247, 248, 250, 251, 252, 266, 267, 266, 267,
igr2= 232, 233, 232, 233, 232, 233,
&end
#
# 37 ALA HN 37 ALA HA 3.50 (# 1303:20 Unique 2.85, 2.85 A)
&rst
ixpk= 1303, nxpk= 20, iat= 602, 604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 SER HN 37 ALA HA 6.00 (# 1304:20 Unique 3.44, 3.52 A)
&rst
ixpk= 1304, nxpk= 20, iat= 643, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 VAL HN 37 ALA HA 6.00 (# 1306:20 Unique 3.58, 3.59 A)
&rst
ixpk= 1306, nxpk= 20, iat= 612, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1308 37 ALA HA 6.00 (# 1308:20 Single Ambig)
&rst
ixpk= 1308, nxpk= 20, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 591, 592, 632, 633,
&end
#
# 37 ALA MB 37 ALA HA 2.20 (# 1309:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 606, 607, 608,
&end
#
# 36 GLU HN 37 ALA MB 6.00 (# 1310:20 Unique 4.78, 5.36 A)
&rst
ixpk= 1310, 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 (# 1311:20 Unique 2.45, 2.87 A)
&rst
ixpk= 1311, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 606, 607, 608,
&end
#
# 34 GLY HN 37 ALA MB 6.00 (# 1312:20 Unique 4.56, 5.69 A)
&rst
ixpk= 1312, nxpk= 20, iat= 566, -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 (# 1313:20 Unique 2.41, 3.26 A)
&rst
ixpk= 1313, 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 (# 1314:20 Unique 3.75, 4.53 A)
&rst
ixpk= 1314, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 606, 607, 608,
&end
#
# 37 ALA HA 37 ALA MB 2.20 (# 1315:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1315, nxpk= 20, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 606, 607, 608,
&end
#
# 33 TRP HB+ 37 ALA MB 3.50 (# 1316:20 Unique 3.60, 4.78 A)
&rst
ixpk= 1316, 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 (# 1317:20 Unique 3.60, 4.78 A)
&rst
ixpk= 1317, 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
#
# 41 TRP HN 38 VAL HA 3.50 (# 1318:20 Unique 2.97, 3.05 A)
&rst
ixpk= 1318, nxpk= 20, iat= 654, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1319 38 VAL HA 6.00 (# 1319:20 Single Ambig)
&rst
ixpk= 1319, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 673, 643,
&end
#
# 0 AMB 20-2:1321 38 VAL HA 3.50 (# 1321:20 Single Ambig)
&rst
ixpk= 1321, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 612, 123, 132,
&end
#
# 41 TRP HB+ 38 VAL HA 6.00 (# 1322:20 Unique 2.91, 3.65 A)
&rst
ixpk= 1322, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 658, 659,
&end
#
# 41 TRP HB- 38 VAL HA 6.00 (# 1323:20 Unique 2.91, 3.65 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 658, 659,
&end
#
# 38 VAL HB 38 VAL HA 3.50 (# 1325:20 Unique 3.02, 3.03 A)
&rst
ixpk= 1325, nxpk= 20, iat= 616, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ALA MB 38 VAL HA 6.00 (# 1326:20 Unique 4.38, 4.86 A)
&rst
ixpk= 1326, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 38 VAL MGY 38 VAL HA 2.60 (# 1327:20 Unique 2.48, 3.13 A)
&rst
ixpk= 1327, 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
#
# 38 VAL MGX 38 VAL HA 2.60 (# 1328:20 Unique 2.48, 3.13 A)
&rst
ixpk= 1328, 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
#
# 39 GLU HN 38 VAL HB 3.50 (# 1331:20 Unique 2.79, 2.83 A)
&rst
ixpk= 1331, nxpk= 20, iat= 628, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 VAL HN 38 VAL HB 2.60 (# 1332:20 Unique 2.39, 2.42 A)
&rst
ixpk= 1332, nxpk= 20, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 35 PRO HA 38 VAL HB 3.50 (# 1333:20 Unique 2.55, 2.61 A)
&rst
ixpk= 1333, nxpk= 20, iat= 583, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LYS HA 38 VAL HB 6.00 (# 1334:20 Unique 3.02, 3.10 A)
&rst
ixpk= 1334, nxpk= 20, iat= 490, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HE- 38 VAL HB 3.50 (# 1335:20 Unique 3.35, 4.01 A)
&rst
ixpk= 1335, nxpk= 20, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 501, 502,
&end
#
# 30 LYS HE+ 38 VAL HB 6.00 (# 1336:20 Unique 3.35, 4.01 A)
&rst
ixpk= 1336, nxpk= 20, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 30 LYS HG- 38 VAL HB 2.60 (# 1337:20 Unique 2.16, 2.85 A)
&rst
ixpk= 1337, nxpk= 20, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 495, 496,
&end
#
# 38 VAL MGY 38 VAL HB 2.60 (# 1338:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1338, 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 (# 1339:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1339, 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
#
# 30 LYS HN 38 VAL MGX 6.00 (# 1341:20 Unique 3.19, 4.49 A)
&rst
ixpk= 1341, 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
#
# 41 TRP HE3 38 VAL MGX 6.00 (# 1342:20 Unique 2.63, 4.06 A)
&rst
ixpk= 1342, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1344 38 VAL MGX 2.60 (# 1344:20 Single Ambig)
&rst
ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 612, 123, 132,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 41 TRP HZ3 38 VAL MGX 6.00 (# 1345:20 Unique 2.76, 4.25 A)
&rst
ixpk= 1345, nxpk= 20, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1347 38 VAL MGX 3.50 (# 1347:20 Single Ambig)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 658, 659, 583,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HA 38 VAL MGX 2.20 (# 1348:20 Unique 2.29, 3.85 A)
&rst
ixpk= 1348, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 33 TRP HB+ 38 VAL MGX 3.50 (# 1349:20 Unique 3.03, 5.34 A)
&rst
ixpk= 1349, 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
#
# 0 AMB 20-2:1350 38 VAL MGX 2.60 (# 1350:20 Single Ambig)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 468, 469, 468, 469,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 33 TRP HB- 38 VAL MGX 3.50 (# 1351:20 Unique 3.03, 5.34 A)
&rst
ixpk= 1351, 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
#
# 38 VAL HA 38 VAL MGX 2.60 (# 1352:20 Unique 2.48, 3.13 A)
&rst
ixpk= 1352, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL HB 38 VAL MGX 2.20 (# 1353:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1353, 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
#
# 37 ALA MB 38 VAL MGX 3.50 (# 1354:20 Unique 3.09, 6.21 A)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 606, 607, 608,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 30 LYS HG- 38 VAL MGX 3.50 (# 1355:20 Unique 2.33, 3.77 A)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 495, 496,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 26 LEU HG 38 VAL MGX 3.50 (# 1359:20 Unique 2.66, 5.25 A)
&rst
ixpk= 1359, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1360 38 VAL MGY 3.50 (# 1360:20 Single Ambig)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 628, 510,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 41 TRP HE3 38 VAL MGY 2.60 (# 1361:20 Unique 2.63, 4.06 A)
&rst
ixpk= 1361, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1363 38 VAL MGY 2.60 (# 1363:20 Single Ambig)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 612, 123, 132,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 7 TYR HE 38 VAL MGY 2.60 (# 1364:20 Unique 2.66, 6.55 A)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 125, 130,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1365 38 VAL MGY 2.60 (# 1365:20 Single Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 468, 469, 468, 469,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 20-2:1366 38 VAL MGY 3.50 (# 1366:20 Single Ambig)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 501, 502, 119, 120,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL HA 38 VAL MGY 2.60 (# 1367:20 Unique 2.48, 3.13 A)
&rst
ixpk= 1367, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 618, 619, 620, 622, 623, 624,
&end
#
# 38 VAL HB 38 VAL MGY 2.20 (# 1368:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1368, 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
#
# 26 LEU MDY 38 VAL MGY 2.60 (# 1370:20 Unique 2.25, 5.67 A)
&rst
ixpk= 1370, 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
#
# 39 GLU HN 39 GLU HA 3.50 (# 1372:20 Unique 2.90, 2.90 A)
&rst
ixpk= 1372, 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 (# 1373:20 Unique 3.51, 3.54 A)
&rst
ixpk= 1373, nxpk= 20, iat= 643, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ALA HN 39 GLU HA 6.00 (# 1374:20 Unique 3.13, 3.22 A)
&rst
ixpk= 1374, nxpk= 20, iat= 678, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HE 39 GLU HA 2.20 (# 1375:20 Unique 2.24, 4.27 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 125, 130,
&end
#
# 0 AMB 20-2:1376 39 GLU HA 3.50 (# 1376:20 Single Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 635, 636, 635, 636,
&end
#
# 39 GLU HB+ 39 GLU HA 2.60 (# 1377:20 Unique 2.55, 2.81 A)
&rst
ixpk= 1377, 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 (# 1378:20 Unique 2.55, 2.81 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 632, 633,
&end
#
# 0 AMB 20-2:1379 39 GLU HA 6.00 (# 1379:20 Single Ambig)
&rst
ixpk= 1379, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 616, 80, 81,
&end
#
# 0 AMB 20-2:1380 39 GLU HA 3.50 (# 1380:20 Single Ambig)
&rst
ixpk= 1380, nxpk= 20, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 682, 683, 684, 618, 619, 620, 622, 623, 624,
&end
#
# 39 GLU HN 39 GLU HB+ 2.60 (# 1381:20 Unique 2.32, 2.98 A)
&rst
ixpk= 1381, 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 (# 1382:20 Unique 2.32, 2.98 A)
&rst
ixpk= 1382, 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- 3.50 (# 1383:20 Unique 2.95, 3.43 A)
&rst
ixpk= 1383, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 632, 633,
&end
#
# 40 SER HN 39 GLU HB+ 6.00 (# 1384:20 Unique 2.95, 3.43 A)
&rst
ixpk= 1384, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 632, 633,
&end
#
# 38 VAL HN 39 GLU HB- 6.00 (# 1385:20 Unique 4.95, 5.73 A)
&rst
ixpk= 1385, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 632, 633,
&end
#
# 38 VAL HN 39 GLU HB+ 6.00 (# 1386:20 Unique 4.95, 5.73 A)
&rst
ixpk= 1386, 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 (# 1387:20 Unique 4.59, 6.77 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 130,
igr2= 632, 633,
&end
#
# 7 TYR HE 39 GLU HB- 6.00 (# 1388:20 Unique 4.59, 6.77 A)
&rst
ixpk= 1388, 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+ 2.60 (# 1389:20 Unique 2.55, 2.81 A)
&rst
ixpk= 1389, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 632, 633,
&end
#
# 39 GLU HA 39 GLU HB- 2.60 (# 1390:20 Unique 2.55, 2.81 A)
&rst
ixpk= 1390, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 632, 633,
&end
#
# 36 GLU HA 39 GLU HB+ 3.50 (# 1391:20 Unique 2.79, 3.69 A)
&rst
ixpk= 1391, nxpk= 20, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 632, 633,
&end
#
# 0 AMB 20-2:1392 0 AMB 20-1:1392 2.20 (# 1392:20 Double Ambig)
&rst
ixpk= 1392, 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
#
# 0 AMB 20-2:1393 39 GLU HB- 2.20 (# 1393:20 Single Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 635, 636, 635, 636,
igr2= 632, 633,
&end
#
# 38 VAL HB 39 GLU HB+ 6.00 (# 1395:20 Unique 4.94, 5.60 A)
&rst
ixpk= 1395, nxpk= 20, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 632, 633,
&end
#
# 39 GLU HN 0 AMB 20-1:1397 2.60 (# 1397:20 Single Ambig)
&rst
ixpk= 1397, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 635, 636, 635, 636,
&end
#
# 40 SER HN 0 AMB 20-1:1398 6.00 (# 1398:20 Single Ambig)
&rst
ixpk= 1398, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 635, 636, 635, 636,
&end
#
# 7 TYR HE 0 AMB 20-1:1399 6.00 (# 1399:20 Single Ambig)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 125, 130,
igr2= 635, 636, 635, 636,
&end
#
# 39 GLU HA 0 AMB 20-1:1400 3.50 (# 1400:20 Single Ambig)
&rst
ixpk= 1400, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 635, 636, 635, 636,
&end
#
# 0 AMB 20-2:1401 0 AMB 20-1:1401 3.50 (# 1401:20 Double Ambig)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 589, 583,
igr2= 635, 636, 635, 636,
&end
#
# 30 LYS HE- 0 AMB 20-1:1402 3.50 (# 1402:20 Single Ambig)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 501, 502,
igr2= 635, 636, 635, 636,
&end
#
# 0 AMB 20-2:1403 0 AMB 20-1:1403 2.20 (# 1403:20 Double Ambig)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 632, 633, 632, 633,
igr2= 635, 636, 635, 636,
&end
#
# 39 GLU HB- 0 AMB 20-1:1404 2.20 (# 1404:20 Single Ambig)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 632, 633,
igr2= 635, 636, 635, 636,
&end
#
# 0 AMB 20-2:1407 0 AMB 20-1:1407 6.00 (# 1407:20 Double Ambig)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 618, 619, 620, 622, 623, 624, 682, 683, 684,
igr2= 635, 636, 635, 636, 635, 636,
&end
#
# 0 AMB 20-2:1408 0 AMB 20-1:1408 3.50 (# 1408:20 Double Ambig)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 580, 581, 580, 581, 594, 595,
igr2= 635, 636, 635, 636, 635, 636,
&end
#
# 41 TRP HN 40 SER HA 6.00 (# 1409:20 Unique 3.53, 3.55 A)
&rst
ixpk= 1409, nxpk= 20, iat= 654, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 SER HN 40 SER HA 3.50 (# 1410:20 Unique 2.90, 2.91 A)
&rst
ixpk= 1410, 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 (# 1411:20 Unique 3.61, 3.67 A)
&rst
ixpk= 1411, 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 (# 1412:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1412, 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 (# 1413:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1413, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 647, 648,
&end
#
# 39 GLU HB+ 40 SER HA 6.00 (# 1414:20 Unique 4.51, 4.69 A)
&rst
ixpk= 1414, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 632, 633,
&end
#
# 41 TRP HN 40 SER HB+ 6.00 (# 1415:20 Unique 3.11, 3.65 A)
&rst
ixpk= 1415, 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 (# 1416:20 Unique 3.11, 3.65 A)
&rst
ixpk= 1416, 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- 2.60 (# 1417:20 Unique 2.55, 2.87 A)
&rst
ixpk= 1417, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 647, 648,
&end
#
# 40 SER HN 40 SER HB+ 3.50 (# 1418:20 Unique 2.55, 2.87 A)
&rst
ixpk= 1418, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 647, 648,
&end
#
# 41 TRP HD1 40 SER HB+ 6.00 (# 1419:20 Unique 3.52, 4.21 A)
&rst
ixpk= 1419, nxpk= 20, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 647, 648,
&end
#
# 41 TRP HD1 40 SER HB- 6.00 (# 1420:20 Unique 3.52, 4.21 A)
&rst
ixpk= 1420, nxpk= 20, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 647, 648,
&end
#
# 40 SER HA 40 SER HB+ 2.20 (# 1426:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1426, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 647, 648,
&end
#
# 40 SER HA 40 SER HB- 2.60 (# 1427:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1427, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 647, 648,
&end
#
# 37 ALA MB 40 SER HB- 6.00 (# 1428:20 Unique 4.51, 5.76 A)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 606, 607, 608,
igr2= 647, 648,
&end
#
# 39 GLU HB- 40 SER HB- 6.00 (# 1429:20 Unique 4.62, 5.78 A)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 632, 633,
igr2= 647, 648,
&end
#
# 37 ALA HA 40 SER HB+ 3.50 (# 1432:20 Unique 2.76, 3.41 A)
&rst
ixpk= 1432, nxpk= 20, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 647, 648,
&end
#
# 37 ALA HA 40 SER HB- 3.50 (# 1433:20 Unique 2.76, 3.41 A)
&rst
ixpk= 1433, nxpk= 20, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 647, 648,
&end
#
# 41 TRP HN 41 TRP HA 6.00 (# 1438:20 Unique 2.91, 2.92 A)
&rst
ixpk= 1438, nxpk= 20, iat= 654, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TRP HD1 41 TRP HA 3.50 (# 1439:20 Unique 2.54, 2.58 A)
&rst
ixpk= 1439, nxpk= 20, iat= 662, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 TRP HB+ 41 TRP HA 3.50 (# 1440:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1440, nxpk= 20, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 658, 659,
&end
#
# 41 TRP HB- 41 TRP HA 3.50 (# 1441:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1441, nxpk= 20, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 658, 659,
&end
#
# 7 TYR HB- 41 TRP HA 6.00 (# 1442:20 Unique 5.53, 6.50 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 42 ALA HN 41 TRP HA 6.00 (# 1443:20 Unique 3.46, 3.47 A)
&rst
ixpk= 1443, nxpk= 20, iat= 678, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TRP HN 41 TRP HB+ 3.50 (# 1444:20 Unique 2.64, 3.16 A)
&rst
ixpk= 1444, 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+ 3.50 (# 1445:20 Unique 2.19, 2.83 A)
&rst
ixpk= 1445, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 658, 659,
&end
#
# 8 LYS HN 41 TRP HB- 3.50 (# 1446:20 Unique 2.19, 2.83 A)
&rst
ixpk= 1446, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 658, 659,
&end
#
# 41 TRP HN 41 TRP HB- 3.50 (# 1447:20 Unique 2.64, 3.16 A)
&rst
ixpk= 1447, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 658, 659,
&end
#
# 41 TRP HE3 41 TRP HB- 6.00 (# 1448:20 Unique 2.76, 3.02 A)
&rst
ixpk= 1448, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 658, 659,
&end
#
# 42 ALA HN 41 TRP HB- 6.00 (# 1449:20 Unique 3.29, 3.77 A)
&rst
ixpk= 1449, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 658, 659,
&end
#
# 42 ALA HN 41 TRP HB+ 6.00 (# 1450:20 Unique 3.29, 3.77 A)
&rst
ixpk= 1450, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 658, 659,
&end
#
# 7 TYR HD 41 TRP HB+ 3.50 (# 1452:20 Unique 2.29, 4.84 A)
&rst
ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 123, 132,
igr2= 658, 659,
&end
#
# 7 TYR HD 41 TRP HB- 2.60 (# 1453:20 Unique 2.29, 4.84 A)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 123, 132,
igr2= 658, 659,
&end
#
# 41 TRP HD1 41 TRP HB+ 6.00 (# 1455:20 Unique 3.42, 3.61 A)
&rst
ixpk= 1455, nxpk= 20, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 658, 659,
&end
#
# 41 TRP HD1 41 TRP HB- 6.00 (# 1456:20 Unique 3.42, 3.61 A)
&rst
ixpk= 1456, nxpk= 20, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 658, 659,
&end
#
# 7 TYR HE 41 TRP HB- 6.00 (# 1457:20 Unique 4.14, 6.44 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 130,
igr2= 658, 659,
&end
#
# 41 TRP HA 41 TRP HB- 3.50 (# 1458:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1458, 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+ 2.60 (# 1459:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1459, nxpk= 20, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 658, 659,
&end
#
# 9 ASN HA 41 TRP HB+ 6.00 (# 1471:20 Unique 4.68, 5.15 A)
&rst
ixpk= 1471, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 658, 659,
&end
#
# 7 TYR HB+ 41 TRP HB- 6.00 (# 1472:20 Unique 3.09, 4.30 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 119, 120,
igr2= 658, 659,
&end
#
# 7 TYR HB- 41 TRP HB- 6.00 (# 1473:20 Unique 3.09, 4.30 A)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 119, 120,
igr2= 658, 659,
&end
#
# 7 TYR HB- 41 TRP HB+ 6.00 (# 1474:20 Unique 3.09, 4.30 A)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 119, 120,
igr2= 658, 659,
&end
#
# 38 VAL HA 41 TRP HB- 6.00 (# 1475:20 Unique 2.91, 3.65 A)
&rst
ixpk= 1475, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 658, 659,
&end
#
# 10 PRO HD+ 41 TRP HB+ 6.00 (# 1476:20 Unique 4.16, 5.31 A)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 173, 174,
igr2= 658, 659,
&end
#
# 10 PRO HD- 41 TRP HB+ 6.00 (# 1477:20 Unique 4.16, 5.31 A)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 173, 174,
igr2= 658, 659,
&end
#
# 38 VAL MGX 41 TRP HB- 6.00 (# 1478:20 Unique 3.35, 5.64 A)
&rst
ixpk= 1478, 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 20-2:1479 41 TRP HB- 3.50 (# 1479:20 Single Ambig)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 618, 619, 620, 622, 623, 624, 682, 683, 684,
igr2= 658, 659,
&end
#
# 0 AMB 20-2:1480 0 AMB 20-1:1480 6.00 (# 1480:20 Double Ambig)
&rst
ixpk= 1480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 618, 619, 620, 622, 623, 624, 682, 683, 684,
igr2= 658, 659, 658, 659,
&end
#
# 0 AMB 20-2:1481 42 ALA MB 3.50 (# 1481:20 Single Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 688, 98,
igr2= 682, 683, 684,
&end
#
# 42 ALA HN 42 ALA MB 2.60 (# 1482:20 Unique 2.38, 2.91 A)
&rst
ixpk= 1482, nxpk= 20, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 682, 683, 684,
&end
#
# 7 TYR HE 42 ALA MB 2.60 (# 1485:20 Unique 2.38, 4.33 A)
&rst
ixpk= 1485, 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
#
# 39 GLU HA 42 ALA MB 3.50 (# 1487:20 Unique 2.44, 3.53 A)
&rst
ixpk= 1487, nxpk= 20, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:1488 42 ALA MB 2.60 (# 1488:20 Single Ambig)
&rst
ixpk= 1488, 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
#
# 0 AMB 20-2:1489 42 ALA MB 2.60 (# 1489:20 Single Ambig)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 86, 87, 86, 87,
igr2= 682, 683, 684,
&end
#
# 5 LYS HB- 42 ALA MB 2.60 (# 1490:20 Unique 2.71, 4.50 A)
&rst
ixpk= 1490, 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
#
# 5 LYS HG+ 42 ALA MB 3.50 (# 1491:20 Unique 2.89, 4.65 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 83, 84,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:1495 43 THR HA 3.50 (# 1495:20 Single Ambig)
&rst
ixpk= 1495, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 688, 98,
&end
#
# 44 LEU HN 43 THR HA 2.20 (# 1496:20 Unique 2.05, 2.10 A)
&rst
ixpk= 1496, nxpk= 20, iat= 702, 690, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 43 THR HB 43 THR HA 2.60 (# 1500:20 Unique 2.60, 2.61 A)
&rst
ixpk= 1500, nxpk= 20, iat= 692, 690, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:1501 43 THR HA 3.50 (# 1501:20 Single Ambig)
&rst
ixpk= 1501, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 706, 707, 709, 86, 87,
&end
#
# 43 THR MG2 43 THR HA 2.60 (# 1502:20 Unique 2.38, 2.98 A)
&rst
ixpk= 1502, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 694, 695, 696,
&end
#
# 0 AMB 20-2:1503 43 THR HA 6.00 (# 1503:20 Single Ambig)
&rst
ixpk= 1503, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 682, 683, 684, 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:1504 43 THR HA 6.00 (# 1504:20 Single Ambig)
&rst
ixpk= 1504, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 730, 731, 732, 734, 735, 736, 730, 731, 732, 734,
735, 736, 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:1505 43 THR HB 3.50 (# 1505:20 Single Ambig)
&rst
ixpk= 1505, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 688, 98,
&end
#
# 44 LEU HN 43 THR HB 3.50 (# 1506:20 Unique 3.50, 3.52 A)
&rst
ixpk= 1506, nxpk= 20, iat= 702, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 LEU HA 43 THR HB 6.00 (# 1508:20 Unique 4.82, 4.87 A)
&rst
ixpk= 1508, nxpk= 20, iat= 704, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 THR HA 43 THR HB 2.60 (# 1509:20 Unique 2.60, 2.61 A)
&rst
ixpk= 1509, nxpk= 20, iat= 690, 692, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 20-2:1510 43 THR HB 3.50 (# 1510:20 Single Ambig)
&rst
ixpk= 1510, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 102, 103, 105, 106,
&end
#
# 6 GLN HB- 43 THR HB 6.00 (# 1511:20 Unique 3.38, 4.28 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 0 AMB 20-2:1512 43 THR HB 6.00 (# 1512:20 Single Ambig)
&rst
ixpk= 1512, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 706, 707, 709, 725, 726,
&end
#
# 43 THR MG2 43 THR HB 2.20 (# 1513:20 Unique 2.42, 2.64 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 694, 695, 696,
&end
#
# 0 AMB 20-2:1514 43 THR HB 6.00 (# 1514:20 Single Ambig)
&rst
ixpk= 1514, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 730, 731, 732, 734, 735, 736, 730, 731, 732, 734,
735, 736,
&end
#
# 42 ALA MB 43 THR HB 6.00 (# 1515:20 Unique 6.25, 6.88 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 682, 683, 684,
&end
#
# 43 THR HB 43 THR MG2 2.20 (# 1519:20 Unique 2.42, 2.64 A)
&rst
ixpk= 1519, nxpk= 20, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 694, 695, 696,
&end
#
# 43 THR HA 43 THR MG2 2.60 (# 1520:20 Unique 2.38, 2.98 A)
&rst
ixpk= 1520, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 694, 695, 696,
&end
#
# 44 LEU HN 43 THR MG2 6.00 (# 1521:20 Unique 3.97, 4.75 A)
&rst
ixpk= 1521, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 694, 695, 696,
&end
#
# 0 AMB 20-2:1522 43 THR MG2 3.50 (# 1522:20 Single Ambig)
&rst
ixpk= 1522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 688, 98,
igr2= 694, 695, 696,
&end
#
# 0 AMB 20-2:1523 44 LEU HA 6.00 (# 1523:20 Single Ambig)
&rst
ixpk= 1523, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 98, 688,
&end
#
# 45 LEU HN 44 LEU HA 2.60 (# 1524:20 Unique 2.11, 2.15 A)
&rst
ixpk= 1524, nxpk= 20, iat= 721, 704, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 4 VAL HN 44 LEU HA 6.00 (# 1525:20 Unique 4.58, 4.83 A)
&rst
ixpk= 1525, nxpk= 20, iat= 60, 704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1526 44 LEU HA 6.00 (# 1526:20 Single Ambig)
&rst
ixpk= 1526, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 702, 740,
&end
#
# 0 AMB 20-2:1529 44 LEU HA 3.50 (# 1529:20 Single Ambig)
&rst
ixpk= 1529, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 709, 706, 707,
&end
#
# 5 LYS HG- 44 LEU HA 6.00 (# 1530:20 Unique 2.62, 3.34 A)
&rst
ixpk= 1530, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 83, 84,
&end
#
# 44 LEU MDX 44 LEU HA 3.50 (# 1531:20 Unique 2.17, 3.92 A)
&rst
ixpk= 1531, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:1532 44 LEU HA 6.00 (# 1532:20 Single Ambig)
&rst
ixpk= 1532, nxpk= 20, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 706, 707, 80, 81,
&end
#
# 0 AMB 20-2:1533 0 AMB 20-1:1533 2.60 (# 1533:20 Double Ambig)
&rst
ixpk= 1533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 702, 740,
igr2= 706, 707, 725, 726, 706, 707,
&end
#
# 45 LEU HN 0 AMB 20-1:1534 2.60 (# 1534:20 Single Ambig)
&rst
ixpk= 1534, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 725, 726, 706, 707,
&end
#
# 0 AMB 20-2:1535 0 AMB 20-1:1535 6.00 (# 1535:20 Double Ambig)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 747, 60,
igr2= 725, 726, 725, 726, 706, 707,
&end
#
# 0 AMB 20-2:1536 0 AMB 20-1:1536 6.00 (# 1536:20 Double Ambig)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 747, 60,
igr2= 725, 726, 706, 707,
&end
#
# 45 LEU HN 0 AMB 20-1:1537 2.60 (# 1537:20 Single Ambig)
&rst
ixpk= 1537, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 725, 726, 706, 707,
&end
#
# 0 AMB 20-2:1538 0 AMB 20-1:1538 2.60 (# 1538:20 Double Ambig)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 702, 740,
igr2= 706, 707, 725, 726,
&end
#
# 44 LEU HA 44 LEU HB- 2.60 (# 1539:20 Unique 2.58, 2.82 A)
&rst
ixpk= 1539, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 706, 707,
&end
#
# 44 LEU HA 44 LEU HB+ 2.60 (# 1540:20 Unique 2.58, 2.82 A)
&rst
ixpk= 1540, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 706, 707,
&end
#
# 0 AMB 20-2:1541 0 AMB 20-1:1541 2.60 (# 1541:20 Double Ambig)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 723, 690, 40,
igr2= 725, 726, 706, 707, 725, 726,
&end
#
# 0 AMB 20-2:1542 0 AMB 20-1:1542 2.60 (# 1542:20 Double Ambig)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 723, 690, 40,
igr2= 725, 726, 706, 707,
&end
#
# 4 VAL HB 45 LEU HB- 3.50 (# 1543:20 Unique 2.46, 3.52 A)
&rst
ixpk= 1543, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:1545 0 AMB 20-1:1545 3.50 (# 1545:20 Double Ambig)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 102, 103, 279, 280, 279, 280, 102, 103, 105, 106,
igr2= 725, 726, 725, 726, 725, 726, 706, 707, 725, 726,
&end
#
# 0 AMB 20-2:1546 0 AMB 20-1:1546 6.00 (# 1546:20 Double Ambig)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 102, 103, 102, 103, 105, 106,
igr2= 725, 726, 706, 707,
&end
#
# 0 AMB 20-2:1549 0 AMB 20-1:1549 2.20 (# 1549:20 Double Ambig)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 711, 712, 713, 715, 716, 717, 730, 731, 732, 734,
735, 736,
igr2= 706, 707, 725, 726,
&end
#
# 0 AMB 20-2:1550 0 AMB 20-1:1550 2.20 (# 1550:20 Double Ambig)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 711, 712, 713, 715, 716, 717, 730, 731, 732, 734,
735, 736,
igr2= 706, 707, 725, 726,
&end
#
# 44 LEU HN 44 LEU HG 6.00 (# 1551:20 Unique 2.64, 3.18 A)
&rst
ixpk= 1551, nxpk= 20, iat= 702, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1552 44 LEU HG 6.00 (# 1552:20 Single Ambig)
&rst
ixpk= 1552, nxpk= 20, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 721, 76,
&end
#
# 44 LEU HA 44 LEU HG 3.50 (# 1553:20 Unique 2.49, 2.71 A)
&rst
ixpk= 1553, nxpk= 20, iat= 704, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 LEU MDX 44 LEU HG 2.60 (# 1554:20 Unique 2.42, 2.67 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:1555 44 LEU MDX 2.20 (# 1555:20 Single Ambig)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 706, 707, 725, 726, 725, 726, 86, 87,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 44 LEU HA 44 LEU MDX 2.60 (# 1556:20 Unique 2.17, 3.92 A)
&rst
ixpk= 1556, 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
#
# 44 LEU HB- 44 LEU MDY 2.60 (# 1557:20 Unique 2.41, 3.31 A)
&rst
ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 706, 707,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 0 AMB 20-2:1558 44 LEU MDY 2.20 (# 1558:20 Single Ambig)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 706, 707, 709,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 44 LEU HA 44 LEU MDY 3.50 (# 1559:20 Unique 2.17, 3.92 A)
&rst
ixpk= 1559, nxpk= 20, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 711, 712, 713, 715, 716, 717,
&end
#
# 46 GLY HN 45 LEU HA 2.60 (# 1560:20 Unique 2.23, 2.39 A)
&rst
ixpk= 1560, nxpk= 20, iat= 740, 723, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 3 LYS HB- 45 LEU HA 6.00 (# 1562:20 Unique 5.64, 6.94 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 42, 43,
&end
#
# 0 AMB 20-2:1563 45 LEU HA 2.60 (# 1563:20 Single Ambig)
&rst
ixpk= 1563, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 725, 726, 728,
&end
#
# 43 THR MG2 45 LEU HA 6.00 (# 1564:20 Unique 6.92, 7.32 A)
&rst
ixpk= 1564, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 694, 695, 696,
&end
#
# 45 LEU MDX 45 LEU HA 2.20 (# 1565:20 Unique 2.28, 3.79 A)
&rst
ixpk= 1565, 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
#
# 0 AMB 20-2:1567 0 AMB 20-1:1567 6.00 (# 1567:20 Double Ambig)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 98, 688,
igr2= 725, 726, 706, 707, 706, 707,
&end
#
# 0 AMB 20-2:1568 0 AMB 20-1:1568 6.00 (# 1568:20 Double Ambig)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 98, 688,
igr2= 725, 726, 706, 707,
&end
#
# 0 AMB 20-2:1573 0 AMB 20-1:1573 6.00 (# 1573:20 Double Ambig)
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 742, 743, 742, 743, 742, 743,
igr2= 725, 726, 725, 726, 706, 707, 706, 707,
&end
#
# 0 AMB 20-2:1574 0 AMB 20-1:1574 6.00 (# 1574:20 Double Ambig)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 742, 743, 742, 743, 742, 743,
igr2= 725, 726, 706, 707,
&end
#
# 6 GLN HN 45 LEU HG 6.00 (# 1575:20 Unique 2.85, 3.13 A)
&rst
ixpk= 1575, nxpk= 20, iat= 98, 728, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HN 45 LEU HG 3.50 (# 1576:20 Unique 2.35, 2.43 A)
&rst
ixpk= 1576, nxpk= 20, iat= 721, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 LEU HA 45 LEU HG 3.50 (# 1578:20 Unique 3.27, 3.35 A)
&rst
ixpk= 1578, nxpk= 20, iat= 723, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLN HB+ 45 LEU HG 3.50 (# 1579:20 Unique 2.84, 3.35 A)
&rst
ixpk= 1579, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 102, 103,
&end
#
# 6 GLN HB- 45 LEU HG 6.00 (# 1580:20 Unique 2.84, 3.35 A)
&rst
ixpk= 1580, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 102, 103,
&end
#
# 45 LEU MDX 45 LEU HG 2.20 (# 1581:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1581, 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 MGX 45 LEU HG 2.60 (# 1582:20 Unique 2.67, 4.84 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 20-2:1584 45 LEU MDX 2.20 (# 1584:20 Single Ambig)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 725, 726, 728,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:1585 45 LEU MDX 3.50 (# 1585:20 Single Ambig)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 64, 279, 280, 279, 280,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 45 LEU HA 45 LEU MDX 2.60 (# 1587:20 Unique 2.28, 3.79 A)
&rst
ixpk= 1587, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 45 LEU HA 45 LEU MDY 3.50 (# 1588:20 Unique 2.28, 3.79 A)
&rst
ixpk= 1588, 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 20-2:1589 45 LEU MDY 2.60 (# 1589:20 Single Ambig)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 102, 103, 279, 280, 279, 280,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 6 GLN HB- 45 LEU MDY 3.50 (# 1590:20 Unique 2.30, 3.90 A)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 102, 103,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:1591 45 LEU MDY 2.20 (# 1591:20 Single Ambig)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 725, 726, 728,
igr2= 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 20-2:1592 0 AMB 20-1:1592 3.50 (# 1592:20 Double Ambig)
&rst
ixpk= 1592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 725, 726, 706, 707,
igr2= 742, 743, 742, 743, 742, 743,
&end
#
# 0 AMB 20-2:1593 0 AMB 20-1:1593 6.00 (# 1593:20 Double Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 725, 726, 725, 726, 706, 707, 706, 707,
igr2= 742, 743, 742, 743, 742, 743,
&end
#
# 3 LYS HB- 0 AMB 20-1:1594 6.00 (# 1594:20 Single Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 42, 43,
igr2= 742, 743, 742, 743,
&end
#
# 0 AMB 20-2:1595 0 AMB 20-1:1595 3.50 (# 1595:20 Double Ambig)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 51, 52, 51, 52, 51, 52,
igr2= 742, 743, 742, 743, 742, 743,
&end
#
# 46 GLY HN 0 AMB 20-1:1598 2.60 (# 1598:20 Single Ambig)
&rst
ixpk= 1598, nxpk= 20, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 742, 743, 742, 743,
&end
#
# 47 HIS HN 0 AMB 20-1:1599 3.50 (# 1599:20 Single Ambig)
&rst
ixpk= 1599, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 742, 743, 742, 743,
&end
#
# 47 HIS HB- 47 HIS HA 2.60 (# 1602:20 Unique 2.34, 2.60 A)
&rst
ixpk= 1602, nxpk= 20, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 751, 752,
&end
#
# 47 HIS HB+ 47 HIS HA 2.60 (# 1603:20 Unique 2.34, 2.60 A)
&rst
ixpk= 1603, nxpk= 20, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 751, 752,
&end
#
# 47 HIS HA 47 HIS HB+ 2.20 (# 1607:20 Unique 2.34, 2.60 A)
&rst
ixpk= 1607, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 751, 752,
&end
#
# 47 HIS HA 47 HIS HB- 2.20 (# 1608:20 Unique 2.34, 2.60 A)
&rst
ixpk= 1608, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 751, 752,
&end
#
# 36 GLU HB+ 36 GLU HA 2.60 (# 1612:20 Unique 2.53, 2.79 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 591, 592,
&end
#
# 0 AMB 20-2:1613 7 TYR HA 6.00 (# 1613:20 Single Ambig)
&rst
ixpk= 1613, nxpk= 20, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 688, 98,
&end
#
# 33 TRP HN 38 VAL MGX 6.00 (# 1614:20 Unique 3.96, 5.73 A)
&rst
ixpk= 1614, 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
#
# 7 TYR HD 16 ILE HG1+ 3.50 (# 1615:20 Unique 2.69, 4.66 A)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 123, 132,
igr2= 266, 267,
&end
#
# 45 LEU HB+ 45 LEU HA 2.60 (# 1616:20 Unique 2.43, 2.76 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 725, 726,
&end
#
# 0 AMB 20-2:1617 0 AMB 20-1:1617 2.60 (# 1617:20 Double Ambig)
&rst
ixpk= 1617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 498, 499, 498, 499,
igr2= 495, 496, 495, 496,
&end
#
# 33 TRP HN 33 TRP HB+ 3.50 (# 1618:20 Unique 2.56, 3.17 A)
&rst
ixpk= 1618, 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- 2.60 (# 1619:20 Unique 2.56, 3.17 A)
&rst
ixpk= 1619, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 546, 547,
&end
#
# 0 AMB 20-2:1622 0 AMB 20-1:1622 6.00 (# 1622:20 Double Ambig)
&rst
ixpk= 1622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 566, 520,
igr2= 546, 547, 546, 547,
&end
#
# 0 AMB 20-2:1623 33 TRP HB- 6.00 (# 1623:20 Single Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 566, 520,
igr2= 546, 547,
&end
#
# 33 TRP HD1 33 TRP HB+ 3.50 (# 1624:20 Unique 2.72, 3.33 A)
&rst
ixpk= 1624, nxpk= 20, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 546, 547,
&end
#
# 33 TRP HD1 33 TRP HB- 3.50 (# 1625:20 Unique 2.72, 3.33 A)
&rst
ixpk= 1625, nxpk= 20, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 546, 547,
&end
#
# 41 TRP HZ2 33 TRP HB+ 6.00 (# 1626:20 Unique 2.73, 3.23 A)
&rst
ixpk= 1626, 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 (# 1627:20 Unique 2.56, 2.91 A)
&rst
ixpk= 1627, nxpk= 20, iat= 669, -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 (# 1628:20 Unique 2.56, 2.91 A)
&rst
ixpk= 1628, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 546, 547,
&end
#
# 37 ALA MB 33 TRP HB+ 3.50 (# 1631:20 Unique 3.60, 4.78 A)
&rst
ixpk= 1631, 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- 3.50 (# 1632:20 Unique 3.60, 4.78 A)
&rst
ixpk= 1632, 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
#
# 38 VAL MGX 33 TRP HB- 2.60 (# 1633:20 Unique 3.03, 5.34 A)
&rst
ixpk= 1633, 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= 546, 547,
&end
#
# 38 VAL MGX 33 TRP HB+ 3.50 (# 1634:20 Unique 3.03, 5.34 A)
&rst
ixpk= 1634, 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
#
# 30 LYS HB- 30 LYS HE+ 2.60 (# 1635:20 Unique 2.67, 3.71 A)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 492, 493,
igr2= 501, 502,
&end
#
# 30 LYS HB- 30 LYS HE- 3.50 (# 1636:20 Unique 2.67, 3.71 A)
&rst
ixpk= 1636, 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 HB+ 30 LYS HA 3.50 (# 1637:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 492, 493,
&end
#
# 30 LYS HB- 35 PRO HB- 3.50 (# 1638:20 Unique 2.21, 3.95 A)
&rst
ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 492, 493,
igr2= 580, 581,
&end
#
# 24 LYS HB+ 23 HIS HA 6.00 (# 1639:20 Unique 4.19, 4.83 A)
&rst
ixpk= 1639, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 376, 377,
&end
#
# 30 LYS HB- 35 PRO HA 2.60 (# 1640:20 Unique 2.56, 3.38 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 492, 493,
&end
#
# 25 THR MG2 29 TRP HE1 4.30 (# 0:10 Unique 2.78, 3.43 A)
&rst
ixpk= 0, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 400, 401, 402,
&end
#
# 29 TRP HD1 29 TRP HE1 2.60 (# 1:10 Unique 2.54, 2.55 A)
&rst
ixpk= 1, nxpk= 10, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 37 ALA MB 41 TRP HE1 4.30 (# 2:10 Unique 3.14, 4.33 A)
&rst
ixpk= 2, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 606, 607, 608,
&end
#
# 10 PRO HG+ 41 TRP HE1 4.30 (# 3:10 Unique 3.52, 4.77 A)
&rst
ixpk= 3, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 176, 177,
&end
#
# 15 VAL HA 9 ASN HN 4.30 (# 5:10 Unique 3.57, 3.66 A)
&rst
ixpk= 5, 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 (# 6:10 Unique 2.17, 2.22 A)
&rst
ixpk= 6, 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 (# 7:10 Unique 2.99, 3.01 A)
&rst
ixpk= 7, nxpk= 10, iat= 160, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 ASN HB+ 9 ASN HN 2.60 (# 8:10 Unique 2.54, 2.77 A)
&rst
ixpk= 8, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 162, 163,
&end
#
# 8 LYS HG+ 9 ASN HN 4.30 (# 9:10 Unique 2.55, 2.82 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 143, 144,
&end
#
# 9 ASN HB- 9 ASN HN 2.60 (# 10:10 Unique 2.54, 2.77 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 162, 163,
&end
#
# 1 ALA HA 1 ALA HN 4.30 (# 12:10 Unique 3.94, 5.33 A)
&rst
ixpk= 12, nxpk= 10, iat= 6, 2, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 1 ALA MB 1 ALA HN 4.30 (# 13:10 Unique 3.58, 5.37 A)
&rst
ixpk= 13, nxpk= 10, iat= -1, 2, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 8, 9, 10,
&end
#
# 4 VAL HA 5 LYS HN 2.20 (# 14:10 Unique 2.10, 2.14 A)
&rst
ixpk= 14, nxpk= 10, iat= 62, 76, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 0 AMB 10-2:15 5 LYS HN 4.30 (# 15:10 Single Ambig)
&rst
ixpk= 15, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 64, 279, 280, 279, 280,
&end
#
# 5 LYS HB+ 5 LYS HN 2.60 (# 16:10 Unique 2.29, 2.97 A)
&rst
ixpk= 16, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 80, 81,
&end
#
# 5 LYS HB- 5 LYS HN 4.30 (# 17:10 Unique 2.29, 2.97 A)
&rst
ixpk= 17, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 80, 81,
&end
#
# 5 LYS HG+ 5 LYS HN 4.30 (# 18:10 Unique 3.19, 3.80 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 83, 84,
&end
#
# 4 VAL MGX 5 LYS HN 2.60 (# 19:10 Unique 2.45, 3.97 A)
&rst
ixpk= 19, 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
#
# 0 AMB 10-2:20 5 LYS HN 4.30 (# 20:10 Single Ambig)
&rst
ixpk= 20, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 83, 84, 296, 297, 298,
&end
#
# 44 LEU HA 44 LEU HN 4.30 (# 24:10 Unique 2.90, 2.92 A)
&rst
ixpk= 24, nxpk= 10, iat= 704, 702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 43 THR HA 44 LEU HN 2.60 (# 25:10 Unique 2.05, 2.10 A)
&rst
ixpk= 25, nxpk= 10, iat= 690, 702, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 43 THR HB 44 LEU HN 4.30 (# 26:10 Unique 3.50, 3.52 A)
&rst
ixpk= 26, nxpk= 10, iat= 692, 702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:27 44 LEU HN 2.60 (# 27:10 Single Ambig)
&rst
ixpk= 27, nxpk= 10, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 706, 707, 709,
&end
#
# 43 THR MG2 44 LEU HN 4.30 (# 28:10 Unique 3.97, 4.75 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 694, 695, 696,
&end
#
# 44 LEU HA 45 LEU HN 2.60 (# 29:10 Unique 2.11, 2.15 A)
&rst
ixpk= 29, nxpk= 10, iat= 704, 721, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:30 45 LEU HN 2.20 (# 30:10 Single Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 728, 725, 726, 725, 726, 706, 707, 706, 707,
&end
#
# 0 AMB 10-2:31 45 LEU HN 4.30 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 711, 712, 713, 715, 716, 717, 730, 731, 732, 734,
735, 736,
&end
#
# 45 LEU HA 45 LEU HN 4.30 (# 33:10 Unique 2.91, 2.93 A)
&rst
ixpk= 33, nxpk= 10, iat= 723, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 TRP HA 41 TRP HN 4.30 (# 35:10 Unique 2.91, 2.92 A)
&rst
ixpk= 35, nxpk= 10, iat= 656, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 40 SER HA 41 TRP HN 4.30 (# 36:10 Unique 3.53, 3.55 A)
&rst
ixpk= 36, nxpk= 10, iat= 645, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 TRP HB+ 41 TRP HN 4.30 (# 37:10 Unique 2.64, 3.16 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 658, 659,
&end
#
# 41 TRP HB- 41 TRP HN 2.60 (# 38:10 Unique 2.64, 3.16 A)
&rst
ixpk= 38, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 658, 659,
&end
#
# 38 VAL HA 41 TRP HN 4.30 (# 39:10 Unique 2.97, 3.05 A)
&rst
ixpk= 39, nxpk= 10, iat= 614, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:40 41 TRP HN 4.30 (# 40:10 Single Ambig)
&rst
ixpk= 40, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 682, 683, 684, 618, 619, 620, 622, 623, 624,
&end
#
# 6 GLN HA 7 TYR HN 2.60 (# 41:10 Unique 2.24, 2.24 A)
&rst
ixpk= 41, 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 (# 42:10 Unique 2.70, 3.30 A)
&rst
ixpk= 42, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 119, 120,
&end
#
# 0 AMB 10-2:43 7 TYR HN 4.30 (# 43:10 Single Ambig)
&rst
ixpk= 43, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 105, 106, 102, 103,
&end
#
# 17 GLU HA 17 GLU HN 4.30 (# 45:10 Unique 2.97, 2.98 A)
&rst
ixpk= 45, 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 (# 47:10 Unique 3.34, 4.03 A)
&rst
ixpk= 47, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 282, 283,
&end
#
# 17 GLU HG- 17 GLU HN 4.30 (# 48:10 Unique 3.34, 4.03 A)
&rst
ixpk= 48, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 282, 283,
&end
#
# 0 AMB 10-2:49 17 GLU HN 2.60 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 279, 280, 279, 280,
&end
#
# 16 ILE MG2 17 GLU HN 4.30 (# 50:10 Unique 3.82, 4.40 A)
&rst
ixpk= 50, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 262, 263, 264,
&end
#
# 16 ILE HB 17 GLU HN 2.60 (# 51:10 Unique 2.30, 2.34 A)
&rst
ixpk= 51, nxpk= 10, iat= 260, 275, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:53 37 ALA HN 2.80 (# 53:10 Single Ambig)
&rst
ixpk= 53, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 604, 589,
&end
#
# 36 GLU HB+ 37 ALA HN 2.60 (# 54:10 Unique 2.61, 3.11 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 591, 592,
&end
#
# 37 ALA MB 37 ALA HN 2.20 (# 55:10 Unique 2.45, 2.87 A)
&rst
ixpk= 55, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 606, 607, 608,
&end
#
# 0 AMB 10-2:57 3 LYS HN 2.60 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 42, 43, 21, 22,
&end
#
# 3 LYS HG- 3 LYS HN 4.30 (# 58:10 Unique 2.18, 3.35 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 45, 46,
&end
#
# 41 TRP HB- 8 LYS HN 4.30 (# 59:10 Unique 2.19, 2.83 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 658, 659,
&end
#
# 8 LYS HA 8 LYS HN 4.30 (# 60:10 Unique 2.97, 2.98 A)
&rst
ixpk= 60, nxpk= 10, iat= 138, 136, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HA 8 LYS HN 2.60 (# 61:10 Unique 2.24, 2.27 A)
&rst
ixpk= 61, nxpk= 10, iat= 117, 136, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 41 TRP HB+ 8 LYS HN 4.30 (# 63:10 Unique 2.19, 2.83 A)
&rst
ixpk= 63, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 658, 659,
&end
#
# 7 TYR HB- 8 LYS HN 4.30 (# 64:10 Unique 2.72, 3.36 A)
&rst
ixpk= 64, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 119, 120,
&end
#
# 8 LYS HB+ 8 LYS HN 4.30 (# 65:10 Unique 2.66, 2.94 A)
&rst
ixpk= 65, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 140, 141,
&end
#
# 8 LYS HB- 8 LYS HN 4.30 (# 66:10 Unique 2.66, 2.94 A)
&rst
ixpk= 66, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 140, 141,
&end
#
# 0 AMB 10-2:68 16 ILE HN 4.30 (# 68:10 Single Ambig)
&rst
ixpk= 68, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 260, 146, 147,
&end
#
# 0 AMB 10-2:69 16 ILE HN 2.60 (# 69:10 Single Ambig)
&rst
ixpk= 69, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 266, 267, 246, 247, 248, 250, 251, 252,
&end
#
# 15 VAL HA 16 ILE HN 2.60 (# 70:10 Unique 2.20, 2.21 A)
&rst
ixpk= 70, nxpk= 10, iat= 242, 256, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 16 ILE HG1- 16 ILE HN 4.30 (# 71:10 Unique 2.46, 2.83 A)
&rst
ixpk= 71, 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 2.60 (# 72:10 Unique 2.64, 4.09 A)
&rst
ixpk= 72, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 16 ILE MG2 16 ILE HN 4.30 (# 73:10 Unique 3.44, 4.13 A)
&rst
ixpk= 73, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 262, 263, 264,
&end
#
# 15 VAL HA 15 VAL HN 4.30 (# 74:10 Unique 2.94, 2.96 A)
&rst
ixpk= 74, nxpk= 10, iat= 242, 240, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 14 GLU HA 15 VAL HN 2.20 (# 75:10 Unique 2.11, 2.18 A)
&rst
ixpk= 75, nxpk= 10, iat= 227, 240, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 0 AMB 10-2:76 15 VAL HN 2.60 (# 76:10 Single Ambig)
&rst
ixpk= 76, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 232, 233, 232, 233,
&end
#
# 14 GLU HB+ 15 VAL HN 4.30 (# 77:10 Unique 2.82, 3.51 A)
&rst
ixpk= 77, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 229, 230,
&end
#
# 14 GLU HB- 15 VAL HN 4.30 (# 78:10 Unique 2.82, 3.51 A)
&rst
ixpk= 78, 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 (# 79:10 Unique 2.63, 2.65 A)
&rst
ixpk= 79, nxpk= 10, iat= 244, 240, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 6 GLN HA 6 GLN HN 4.30 (# 80:10 Unique 2.97, 2.98 A)
&rst
ixpk= 80, nxpk= 10, iat= 100, 98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 6 GLN HB+ 6 GLN HN 2.60 (# 82:10 Unique 2.21, 2.56 A)
&rst
ixpk= 82, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 102, 103,
&end
#
# 6 GLN HB- 6 GLN HN 4.30 (# 83:10 Unique 2.21, 2.56 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 102, 103,
&end
#
# 0 AMB 10-2:84 6 GLN HN 4.30 (# 84:10 Single Ambig)
&rst
ixpk= 84, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 728, 80, 81,
&end
#
# 0 AMB 10-2:85 6 GLN HN 4.30 (# 85:10 Single Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 730, 731, 732, 734, 735, 736, 66, 67, 68, 70,
71, 72, 711, 712, 713, 715, 716, 717,
&end
#
# 42 ALA MB 42 ALA HN 2.60 (# 87:10 Unique 2.38, 2.91 A)
&rst
ixpk= 87, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 682, 683, 684,
&end
#
# 3 LYS HA 4 VAL HN 2.20 (# 88:10 Unique 1.95, 2.10 A)
&rst
ixpk= 88, nxpk= 10, iat= 40, 60, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 4 VAL HA 4 VAL HN 4.30 (# 89:10 Unique 2.92, 2.94 A)
&rst
ixpk= 89, nxpk= 10, iat= 62, 60, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 4 VAL HB 4 VAL HN 2.60 (# 90:10 Unique 1.98, 2.07 A)
&rst
ixpk= 90, nxpk= 10, iat= 64, 60, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 3 LYS HB- 4 VAL HN 2.60 (# 91:10 Unique 2.31, 3.10 A)
&rst
ixpk= 91, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 42, 43,
&end
#
# 4 VAL MGY 4 VAL HN 2.60 (# 92:10 Unique 2.77, 4.00 A)
&rst
ixpk= 92, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 0 AMB 10-2:93 2 ARG HN 2.60 (# 93:10 Single Ambig)
&rst
ixpk= 93, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 6, 16,
&end
#
# 2 ARG HB+ 2 ARG HN 4.30 (# 94:10 Unique 2.42, 3.20 A)
&rst
ixpk= 94, 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 (# 95:10 Unique 2.42, 3.20 A)
&rst
ixpk= 95, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 18, 19,
&end
#
# 0 AMB 10-2:96 2 ARG HN 4.30 (# 96:10 Single Ambig)
&rst
ixpk= 96, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 8, 9, 10, 45, 46,
&end
#
# 25 THR HB 26 LEU HN 4.30 (# 97:10 Unique 2.76, 2.88 A)
&rst
ixpk= 97, nxpk= 10, iat= 398, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 LEU HA 26 LEU HN 4.30 (# 98:10 Unique 2.92, 2.94 A)
&rst
ixpk= 98, nxpk= 10, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 LEU HB+ 26 LEU HN 4.30 (# 99:10 Unique 2.35, 2.55 A)
&rst
ixpk= 99, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 412, 413,
&end
#
# 26 LEU HB- 26 LEU HN 2.60 (# 100:10 Unique 2.35, 2.55 A)
&rst
ixpk= 100, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 412, 413,
&end
#
# 0 AMB 10-2:101 31 ALA HN 2.80 (# 101:10 Single Ambig)
&rst
ixpk= 101, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 512, 451,
&end
#
# 27 LYS HA 31 ALA HN 4.30 (# 102:10 Unique 3.92, 3.98 A)
&rst
ixpk= 102, nxpk= 10, iat= 429, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 30 LYS HA 31 ALA HN 4.30 (# 103:10 Unique 3.55, 3.56 A)
&rst
ixpk= 103, nxpk= 10, iat= 490, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 30 LYS HB+ 31 ALA HN 2.60 (# 104:10 Unique 2.69, 3.21 A)
&rst
ixpk= 104, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 492, 493,
&end
#
# 31 ALA MB 31 ALA HN 2.20 (# 105:10 Unique 2.46, 2.85 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 514, 515, 516,
&end
#
# 30 LYS HB- 31 ALA HN 4.30 (# 106:10 Unique 2.69, 3.21 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 492, 493,
&end
#
# 28 GLU HA 28 GLU HN 2.80 (# 107:10 Unique 2.73, 2.74 A)
&rst
ixpk= 107, nxpk= 10, iat= 451, 449, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:108 28 GLU HN 4.30 (# 108:10 Single Ambig)
&rst
ixpk= 108, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 396, 429, 374,
&end
#
# 28 GLU HG+ 28 GLU HN 2.60 (# 109:10 Unique 2.63, 3.23 A)
&rst
ixpk= 109, 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 (# 110:10 Unique 2.27, 2.93 A)
&rst
ixpk= 110, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 453, 454,
&end
#
# 28 GLU HG- 28 GLU HN 4.30 (# 111:10 Unique 2.63, 3.23 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 456, 457,
&end
#
# 28 GLU HB- 28 GLU HN 2.60 (# 112:10 Unique 2.27, 2.93 A)
&rst
ixpk= 112, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 453, 454,
&end
#
# 0 AMB 10-2:113 28 GLU HN 2.60 (# 113:10 Single Ambig)
&rst
ixpk= 113, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 431, 432, 431, 432,
&end
#
# 29 TRP HA 29 TRP HN 4.30 (# 114:10 Unique 2.84, 2.85 A)
&rst
ixpk= 114, 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 (# 115:10 Unique 3.57, 3.58 A)
&rst
ixpk= 115, nxpk= 10, iat= 451, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:116 29 TRP HN 2.60 (# 116:10 Single Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 468, 469, 468, 469,
&end
#
# 26 LEU HA 29 TRP HN 4.30 (# 117:10 Unique 3.17, 3.29 A)
&rst
ixpk= 117, nxpk= 10, iat= 410, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 GLU HB+ 29 TRP HN 4.30 (# 118:10 Unique 2.67, 2.98 A)
&rst
ixpk= 118, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 453, 454,
&end
#
# 28 GLU HB- 29 TRP HN 4.30 (# 119:10 Unique 2.67, 2.98 A)
&rst
ixpk= 119, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 453, 454,
&end
#
# 12 THR HB 14 GLU HN 4.30 (# 120:10 Unique 3.29, 3.49 A)
&rst
ixpk= 120, nxpk= 10, iat= 208, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 14 GLU HA 14 GLU HN 4.30 (# 121:10 Unique 2.77, 2.85 A)
&rst
ixpk= 121, nxpk= 10, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:122 14 GLU HN 2.60 (# 122:10 Single Ambig)
&rst
ixpk= 122, 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 (# 123:10 Unique 2.14, 2.82 A)
&rst
ixpk= 123, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 229, 230,
&end
#
# 14 GLU HB- 14 GLU HN 2.60 (# 124:10 Unique 2.14, 2.82 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 229, 230,
&end
#
# 30 LYS HA 30 LYS HN 4.30 (# 125:10 Unique 2.90, 2.91 A)
&rst
ixpk= 125, nxpk= 10, iat= 490, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 27 LYS HA 30 LYS HN 4.30 (# 126:10 Unique 3.29, 3.36 A)
&rst
ixpk= 126, nxpk= 10, iat= 429, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:127 30 LYS HN 4.30 (# 127:10 Single Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 468, 469, 468, 469,
&end
#
# 30 LYS HB+ 30 LYS HN 2.60 (# 128:10 Unique 2.46, 3.08 A)
&rst
ixpk= 128, 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 2.60 (# 129:10 Unique 2.24, 2.89 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 495, 496,
&end
#
# 30 LYS HB- 30 LYS HN 4.30 (# 130:10 Unique 2.46, 3.08 A)
&rst
ixpk= 130, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 492, 493,
&end
#
# 30 LYS HG- 30 LYS HN 4.30 (# 131:10 Unique 2.24, 2.89 A)
&rst
ixpk= 131, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 495, 496,
&end
#
# 38 VAL MGX 30 LYS HN 4.30 (# 132:10 Unique 3.19, 4.49 A)
&rst
ixpk= 132, 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
#
# 0 AMB 10-2:134 25 THR HN 4.30 (# 134:10 Single Ambig)
&rst
ixpk= 134, 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 (# 135:10 Unique 2.58, 2.79 A)
&rst
ixpk= 135, nxpk= 10, iat= 398, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 11 HIS HB- 11 HIS HN 4.30 (# 137:10 Unique 2.35, 2.98 A)
&rst
ixpk= 137, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 190, 191,
&end
#
# 36 GLU HA 36 GLU HN 2.80 (# 138:10 Unique 2.76, 2.77 A)
&rst
ixpk= 138, nxpk= 10, iat= 589, 587, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 PRO HG+ 36 GLU HN 2.60 (# 139:10 Unique 2.65, 3.44 A)
&rst
ixpk= 139, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 577, 578,
&end
#
# 0 AMB 10-2:140 27 LYS HN 2.60 (# 140:10 Single Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 429, 374,
&end
#
# 0 AMB 10-2:141 27 LYS HN 2.60 (# 141:10 Single Ambig)
&rst
ixpk= 141, 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 10-2:142 27 LYS HN 2.60 (# 142:10 Single Ambig)
&rst
ixpk= 142, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 434, 435, 412, 413,
&end
#
# 26 LEU HB- 27 LYS HN 4.30 (# 143:10 Unique 2.45, 3.20 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 412, 413,
&end
#
# 0 AMB 10-2:144 32 LYS HN 4.30 (# 144:10 Single Ambig)
&rst
ixpk= 144, 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 4.30 (# 145:10 Unique 2.91, 2.93 A)
&rst
ixpk= 145, nxpk= 10, iat= 522, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 32 LYS HB+ 32 LYS HN 2.60 (# 146:10 Unique 2.25, 2.96 A)
&rst
ixpk= 146, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 524, 525,
&end
#
# 32 LYS HB- 32 LYS HN 2.60 (# 147:10 Unique 2.25, 2.96 A)
&rst
ixpk= 147, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 524, 525,
&end
#
# 43 THR HA 43 THR HN 4.30 (# 149:10 Unique 2.98, 2.99 A)
&rst
ixpk= 149, 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 (# 150:10 Unique 3.72, 3.75 A)
&rst
ixpk= 150, nxpk= 10, iat= 692, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:151 0 AMB 10-1:151 4.30 (# 151:10 Double Ambig)
&rst
ixpk= 151, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 682, 683, 684, 618, 619, 620, 622, 623, 624,
igr2= 688, 542,
&end
#
# 0 AMB 10-2:152 0 AMB 10-1:152 4.30 (# 152:10 Double Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 694, 695, 696, 530, 531,
igr2= 688, 542,
&end
#
# 38 VAL HA 38 VAL HN 4.30 (# 153:10 Unique 2.84, 2.85 A)
&rst
ixpk= 153, nxpk= 10, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:154 38 VAL HN 4.30 (# 154:10 Single Ambig)
&rst
ixpk= 154, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 583, 604, 589,
&end
#
# 38 VAL HB 38 VAL HN 2.60 (# 155:10 Unique 2.39, 2.42 A)
&rst
ixpk= 155, nxpk= 10, iat= 616, 612, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 37 ALA MB 38 VAL HN 2.60 (# 156:10 Unique 2.41, 3.26 A)
&rst
ixpk= 156, 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 (# 157:10 Unique 2.21, 3.82 A)
&rst
ixpk= 157, 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
#
# 38 VAL MGX 38 VAL HN 2.60 (# 158:10 Unique 2.21, 3.82 A)
&rst
ixpk= 158, 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
#
# 33 TRP HB+ 33 TRP HN 4.30 (# 159:10 Unique 2.56, 3.17 A)
&rst
ixpk= 159, 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 (# 160:10 Unique 2.56, 3.17 A)
&rst
ixpk= 160, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 546, 547,
&end
#
# 39 GLU HA 39 GLU HN 4.30 (# 161:10 Unique 2.90, 2.90 A)
&rst
ixpk= 161, nxpk= 10, iat= 630, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:162 39 GLU HN 4.30 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 589, 583, 604,
&end
#
# 0 AMB 10-2:163 39 GLU HN 2.60 (# 163:10 Single Ambig)
&rst
ixpk= 163, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 635, 636, 635, 636,
&end
#
# 39 GLU HB+ 39 GLU HN 4.30 (# 164:10 Unique 2.32, 2.98 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 632, 633,
&end
#
# 39 GLU HB- 39 GLU HN 2.60 (# 165:10 Unique 2.32, 2.98 A)
&rst
ixpk= 165, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 632, 633,
&end
#
# 38 VAL HB 39 GLU HN 4.30 (# 166:10 Unique 2.79, 2.83 A)
&rst
ixpk= 166, nxpk= 10, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:167 39 GLU HN 4.30 (# 167:10 Single Ambig)
&rst
ixpk= 167, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 618, 619, 620, 622, 623, 624, 682, 683, 684,
&end
#
# 40 SER HA 40 SER HN 4.30 (# 168:10 Unique 2.90, 2.91 A)
&rst
ixpk= 168, 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 (# 169:10 Unique 3.51, 3.54 A)
&rst
ixpk= 169, 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 (# 170:10 Unique 2.55, 2.87 A)
&rst
ixpk= 170, 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 2.60 (# 171:10 Unique 2.55, 2.87 A)
&rst
ixpk= 171, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 647, 648,
&end
#
# 0 AMB 10-2:172 40 SER HN 4.30 (# 172:10 Single Ambig)
&rst
ixpk= 172, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 604, 589,
&end
#
# 39 GLU HB+ 40 SER HN 4.30 (# 173:10 Unique 2.95, 3.43 A)
&rst
ixpk= 173, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 632, 633,
&end
#
# 39 GLU HB- 40 SER HN 4.30 (# 174:10 Unique 2.95, 3.43 A)
&rst
ixpk= 174, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 632, 633,
&end
#
# 17 GLU HA 18 THR HN 2.60 (# 175:10 Unique 2.13, 2.16 A)
&rst
ixpk= 175, nxpk= 10, iat= 277, 290, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:177 18 THR HN 4.30 (# 177:10 Single Ambig)
&rst
ixpk= 177, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 279, 280, 279, 280,
&end
#
# 18 THR MG2 18 THR HN 2.60 (# 178:10 Unique 2.59, 3.27 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 296, 297, 298,
&end
#
# 4 VAL MGX 18 THR HN 4.30 (# 179:10 Unique 2.50, 4.48 A)
&rst
ixpk= 179, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 66, 67, 68, 70, 71, 72,
&end
#
# 22 ASN HB- 22 ASN HD2+ 4.30 (# 181:10 Unique 2.23, 3.23 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 344, 345,
igr2= 349, 350,
&end
#
# 6 GLN HG+ 6 GLN HE2+ 2.60 (# 183:10 Unique 2.44, 3.48 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 105, 106,
igr2= 110, 111,
&end
#
# 0 AMB 10-2:184 0 AMB 10-1:184 4.30 (# 184:10 Double Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 102, 103, 105, 106,
igr2= 110, 111, 110, 111,
&end
#
# 15 VAL MGX 6 GLN HE2+ 4.30 (# 185:10 Unique 3.89, 6.47 A)
&rst
ixpk= 185, 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
#
# 6 GLN HG+ 6 GLN HE2- 4.30 (# 186:10 Unique 2.44, 3.48 A)
&rst
ixpk= 186, 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 10-2:187 6 GLN HE2- 4.30 (# 187:10 Single Ambig)
&rst
ixpk= 187, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 102, 103, 105, 106,
igr2= 110, 111,
&end
#
# 15 VAL MGX 6 GLN HE2- 4.30 (# 188:10 Unique 3.89, 6.47 A)
&rst
ixpk= 188, 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
#
# 13 GLY HA+ 13 GLY HN 4.30 (# 189:10 Unique 2.34, 2.67 A)
&rst
ixpk= 189, 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 2.60 (# 190:10 Unique 2.34, 2.67 A)
&rst
ixpk= 190, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 220, 221,
&end
#
# 34 GLY HA+ 34 GLY HN 4.30 (# 191:10 Unique 2.35, 2.67 A)
&rst
ixpk= 191, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 568, 569,
&end
#
# 34 GLY HA- 34 GLY HN 2.60 (# 192:10 Unique 2.35, 2.67 A)
&rst
ixpk= 192, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 568, 569,
&end
#
# 45 LEU HA 46 GLY HN 2.60 (# 196:10 Unique 2.23, 2.39 A)
&rst
ixpk= 196, nxpk= 10, iat= 723, 740, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:197 46 GLY HN 2.60 (# 197:10 Single Ambig)
&rst
ixpk= 197, nxpk= 10, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 742, 743, 742, 743,
&end
#
# 0 AMB 10-2:198 46 GLY HN 4.30 (# 198:10 Single Ambig)
&rst
ixpk= 198, nxpk= 10, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 725, 726, 706, 707,
&end
#
# 12 THR MG2 12 THR HN 4.30 (# 200:10 Unique 2.74, 3.56 A)
&rst
ixpk= 200, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 210, 211, 212,
&end
#
# 41 TRP HZ2 41 TRP HE1 4.30 (# 201:10 Unique 2.85, 2.87 A)
&rst
ixpk= 201, nxpk= 10, iat= 667, 664, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 TRP HD1 41 TRP HE1 2.60 (# 202:10 Unique 2.55, 2.56 A)
&rst
ixpk= 202, nxpk= 10, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 29 TRP HH2 9 ASN HN 4.30 (# 203:10 Unique 3.46, 3.68 A)
&rst
ixpk= 203, nxpk= 10, iat= 479, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:204 41 TRP HN 4.30 (# 204:10 Single Ambig)
&rst
ixpk= 204, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 123, 132, 612,
&end
#
# 41 TRP HD1 41 TRP HN 4.30 (# 205:10 Unique 2.96, 3.04 A)
&rst
ixpk= 205, nxpk= 10, iat= 662, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HD 7 TYR HN 4.30 (# 206:10 Unique 2.86, 4.19 A)
&rst
ixpk= 206, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 123, 132,
&end
#
# 38 VAL HN 37 ALA HN 4.30 (# 207:10 Unique 2.70, 2.73 A)
&rst
ixpk= 207, nxpk= 10, iat= 612, 602, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HD 42 ALA HN 4.30 (# 208:10 Unique 3.51, 5.19 A)
&rst
ixpk= 208, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 123, 132,
&end
#
# 12 THR HN 11 HIS HN 4.30 (# 209:10 Unique 2.51, 2.64 A)
&rst
ixpk= 209, nxpk= 10, iat= 204, 186, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 38 VAL HN 39 GLU HN 4.30 (# 210:10 Unique 2.88, 2.90 A)
&rst
ixpk= 210, nxpk= 10, iat= 612, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 12 THR HN 13 GLY HN 2.60 (# 215:10 Unique 1.98, 2.00 A)
&rst
ixpk= 215, nxpk= 10, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 40 SER HN 41 TRP HN 2.60 (# 217:10 Unique 2.53, 2.60 A)
&rst
ixpk= 217, nxpk= 10, iat= 643, 654, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 42 ALA HN 41 TRP HN 2.60 (# 218:10 Unique 2.60, 2.62 A)
&rst
ixpk= 218, nxpk= 10, iat= 678, 654, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 32 LYS HN 31 ALA HN 2.60 (# 219:10 Unique 2.64, 2.65 A)
&rst
ixpk= 219, nxpk= 10, iat= 520, 510, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 28 GLU HN 29 TRP HN 4.30 (# 220:10 Unique 2.93, 2.97 A)
&rst
ixpk= 220, 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 (# 221:10 Unique 2.56, 2.68 A)
&rst
ixpk= 221, nxpk= 10, iat= 472, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 LEU HN 25 THR HN 4.30 (# 222:10 Unique 2.86, 2.92 A)
&rst
ixpk= 222, nxpk= 10, iat= 408, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 LEU HN 27 LYS HN 4.30 (# 223:10 Unique 2.47, 2.53 A)
&rst
ixpk= 223, 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 (# 224:10 Unique 2.88, 2.92 A)
&rst
ixpk= 224, nxpk= 10, iat= 449, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:225 33 TRP HN 2.60 (# 225:10 Single Ambig)
&rst
ixpk= 225, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 566, 520,
&end
#
# 40 SER HN 39 GLU HN 4.30 (# 226:10 Unique 2.63, 2.65 A)
&rst
ixpk= 226, nxpk= 10, iat= 643, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:227 13 GLY HN 4.30 (# 227:10 Single Ambig)
&rst
ixpk= 227, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 225, 186,
&end
#
# 31 ALA HN 30 LYS HN 4.30 (# 228:10 Unique 2.66, 2.68 A)
&rst
ixpk= 228, nxpk= 10, iat= 510, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 ALA HN 36 GLU HN 2.60 (# 229:10 Unique 2.66, 2.67 A)
&rst
ixpk= 229, nxpk= 10, iat= 602, 587, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:230 6 GLN HN 4.30 (# 230:10 Single Ambig)
&rst
ixpk= 230, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 721, 76,
&end
#
# 5 LYS HN 18 THR HN 4.30 (# 231:10 Unique 2.98, 3.13 A)
&rst
ixpk= 231, nxpk= 10, iat= 76, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 16 ILE HN 7 TYR HN 4.30 (# 232:10 Unique 2.81, 2.84 A)
&rst
ixpk= 232, nxpk= 10, iat= 256, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 ALA HN 38 VAL HN 4.30 (# 233:10 Unique 2.70, 2.73 A)
&rst
ixpk= 233, 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 (# 234:10 Unique 2.88, 2.90 A)
&rst
ixpk= 234, nxpk= 10, iat= 628, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 13 GLY HN 12 THR HN 4.30 (# 241:10 Unique 1.98, 2.00 A)
&rst
ixpk= 241, nxpk= 10, iat= 218, 204, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:242 12 THR HN 4.30 (# 242:10 Single Ambig)
&rst
ixpk= 242, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 186, 225,
&end
#
# 41 TRP HN 42 ALA HN 2.60 (# 243:10 Unique 2.60, 2.62 A)
&rst
ixpk= 243, nxpk= 10, iat= 654, 678, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 25 THR HN 26 LEU HN 4.30 (# 244:10 Unique 2.86, 2.92 A)
&rst
ixpk= 244, 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 (# 245:10 Unique 2.47, 2.53 A)
&rst
ixpk= 245, nxpk= 10, iat= 427, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 29 TRP HN 28 GLU HN 4.30 (# 246:10 Unique 2.93, 2.97 A)
&rst
ixpk= 246, nxpk= 10, iat= 464, 449, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:247 28 GLU HN 4.30 (# 247:10 Single Ambig)
&rst
ixpk= 247, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 427, 510,
&end
#
# 13 GLY HN 14 GLU HN 4.30 (# 248:10 Unique 2.43, 2.52 A)
&rst
ixpk= 248, nxpk= 10, iat= 218, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 TRP HN 32 LYS HN 4.30 (# 249:10 Unique 2.58, 2.66 A)
&rst
ixpk= 249, nxpk= 10, iat= 542, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 31 ALA HN 32 LYS HN 2.60 (# 250:10 Unique 2.64, 2.65 A)
&rst
ixpk= 250, nxpk= 10, iat= 510, 520, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 39 GLU HN 40 SER HN 2.60 (# 251:10 Unique 2.63, 2.65 A)
&rst
ixpk= 251, nxpk= 10, iat= 628, 643, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 33 TRP HN 34 GLY HN 2.60 (# 252:10 Unique 2.05, 2.17 A)
&rst
ixpk= 252, nxpk= 10, iat= 542, 566, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 30 LYS HN 31 ALA HN 2.60 (# 253:10 Unique 2.66, 2.68 A)
&rst
ixpk= 253, nxpk= 10, iat= 488, 510, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 18 THR HN 5 LYS HN 4.30 (# 254:10 Unique 2.98, 3.13 A)
&rst
ixpk= 254, nxpk= 10, iat= 290, 76, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HN 16 ILE HN 4.30 (# 255:10 Unique 2.81, 2.84 A)
&rst
ixpk= 255, nxpk= 10, iat= 115, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:256 29 TRP HE1 6.00 (# 256:10 Single Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 468, 469, 468, 469,
&end
#
# 41 TRP HA 41 TRP HE1 6.00 (# 258:10 Unique 5.01, 5.05 A)
&rst
ixpk= 258, nxpk= 10, iat= 656, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ALA HA 41 TRP HE1 6.00 (# 259:10 Unique 4.49, 4.56 A)
&rst
ixpk= 259, nxpk= 10, iat= 604, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PRO HD+ 41 TRP HE1 6.00 (# 260:10 Unique 3.53, 4.48 A)
&rst
ixpk= 260, 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 (# 261:10 Unique 3.52, 4.77 A)
&rst
ixpk= 261, 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 (# 262:10 Unique 3.53, 4.48 A)
&rst
ixpk= 262, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 173, 174,
&end
#
# 23 HIS HA 24 LYS HN 4.30 (# 264:10 Unique 2.15, 2.22 A)
&rst
ixpk= 264, 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 (# 265:10 Unique 2.67, 2.74 A)
&rst
ixpk= 265, nxpk= 10, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 24 LYS HB+ 24 LYS HN 4.30 (# 266:10 Unique 2.07, 2.73 A)
&rst
ixpk= 266, 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 (# 267:10 Unique 2.07, 2.73 A)
&rst
ixpk= 267, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 376, 377,
&end
#
# 25 THR HN 24 LYS HN 6.00 (# 268:10 Unique 3.13, 3.21 A)
&rst
ixpk= 268, nxpk= 10, iat= 394, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 LYS HG+ 24 LYS HN 6.00 (# 269:10 Unique 2.00, 3.81 A)
&rst
ixpk= 269, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 380,
&end
#
# 16 ILE MG2 9 ASN HN 6.00 (# 270:10 Unique 5.97, 7.20 A)
&rst
ixpk= 270, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 262, 263, 264,
&end
#
# 8 LYS HB- 9 ASN HN 4.30 (# 271:10 Unique 3.83, 4.08 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 140, 141,
&end
#
# 8 LYS HB+ 9 ASN HN 4.30 (# 272:10 Unique 3.83, 4.08 A)
&rst
ixpk= 272, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 140, 141,
&end
#
# 15 VAL HB 9 ASN HN 6.00 (# 273:10 Unique 4.68, 5.93 A)
&rst
ixpk= 273, nxpk= 10, iat= 244, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HB- 9 ASN HN 6.00 (# 274:10 Unique 3.75, 4.07 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 229, 230,
&end
#
# 14 GLU HB+ 9 ASN HN 6.00 (# 275:10 Unique 3.75, 4.07 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 229, 230,
&end
#
# 0 AMB 10-2:277 9 ASN HN 6.00 (# 277:10 Single Ambig)
&rst
ixpk= 277, nxpk= 10, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 225, 673, 186,
&end
#
# 8 LYS HN 9 ASN HN 6.00 (# 278:10 Unique 4.37, 4.40 A)
&rst
ixpk= 278, nxpk= 10, iat= 136, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ILE HN 9 ASN HN 6.00 (# 279:10 Unique 5.24, 5.41 A)
&rst
ixpk= 279, nxpk= 10, iat= 256, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 LYS HB+ 1 ALA HN 4.30 (# 280:10 Unique 5.49, 6.99 A)
&rst
ixpk= 280, nxpk= 10, iat= -1, 2, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 42, 43,
&end
#
# 0 AMB 10-2:283 5 LYS HN 6.00 (# 283:10 Single Ambig)
&rst
ixpk= 283, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 277, 100,
&end
#
# 0 AMB 10-2:287 44 LEU HN 4.30 (# 287:10 Single Ambig)
&rst
ixpk= 287, nxpk= 10, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 711, 712, 713, 715, 716, 717, 730, 731, 732, 734,
735, 736,
&end
#
# 4 VAL HB 45 LEU HN 4.30 (# 289:10 Unique 3.83, 3.91 A)
&rst
ixpk= 289, nxpk= 10, iat= 64, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 4 VAL HA 45 LEU HN 6.00 (# 290:10 Unique 4.92, 4.95 A)
&rst
ixpk= 290, nxpk= 10, iat= 62, 721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:291 45 LEU HN 6.00 (# 291:10 Single Ambig)
&rst
ixpk= 291, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 83, 84, 45, 46,
&end
#
# 18 THR MG2 19 LYS HN 6.00 (# 292:10 Unique 3.77, 4.62 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 296, 297, 298,
&end
#
# 19 LYS HG+ 19 LYS HN 6.00 (# 293:10 Unique 2.12, 3.49 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 311, 312,
&end
#
# 19 LYS HB- 19 LYS HN 4.30 (# 294:10 Unique 2.38, 2.96 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 308, 309,
&end
#
# 19 LYS HB+ 19 LYS HN 6.00 (# 295:10 Unique 2.38, 2.96 A)
&rst
ixpk= 295, nxpk= 10, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 308, 309,
&end
#
# 18 THR HB 19 LYS HN 6.00 (# 296:10 Unique 3.63, 3.72 A)
&rst
ixpk= 296, nxpk= 10, iat= 294, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 GLU HA 41 TRP HN 4.30 (# 297:10 Unique 3.84, 3.91 A)
&rst
ixpk= 297, nxpk= 10, iat= 630, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 15 VAL MGX 7 TYR HN 4.30 (# 301:10 Unique 3.58, 5.54 A)
&rst
ixpk= 301, 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
#
# 0 AMB 10-2:302 7 TYR HN 4.30 (# 302:10 Single Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 266, 267, 246, 247, 248, 250, 251, 252,
&end
#
# 16 ILE HG1- 7 TYR HN 4.30 (# 303:10 Unique 3.16, 3.54 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 266, 267,
&end
#
# 0 AMB 10-2:304 7 TYR HN 6.00 (# 304:10 Single Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 260, 146, 147, 146, 147,
&end
#
# 6 GLN HB- 7 TYR HN 4.30 (# 305:10 Unique 3.93, 4.11 A)
&rst
ixpk= 305, 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 (# 306:10 Unique 2.60, 2.88 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 105, 106,
&end
#
# 7 TYR HB- 7 TYR HN 4.30 (# 307:10 Unique 2.70, 3.30 A)
&rst
ixpk= 307, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 119, 120,
&end
#
# 7 TYR HA 7 TYR HN 4.30 (# 309:10 Unique 2.98, 2.99 A)
&rst
ixpk= 309, nxpk= 10, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:310 7 TYR HN 6.00 (# 310:10 Single Ambig)
&rst
ixpk= 310, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 98, 688,
&end
#
# 40 SER HB+ 41 TRP HN 4.30 (# 311:10 Unique 3.11, 3.65 A)
&rst
ixpk= 311, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 647, 648,
&end
#
# 38 VAL MGX 41 TRP HN 6.00 (# 312:10 Unique 4.76, 5.68 A)
&rst
ixpk= 312, 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
#
# 7 TYR HE 41 TRP HN 6.00 (# 313:10 Unique 4.56, 6.64 A)
&rst
ixpk= 313, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 8 LYS HA 7 TYR HN 6.00 (# 315:10 Unique 4.85, 4.89 A)
&rst
ixpk= 315, nxpk= 10, iat= 138, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ILE MD1 17 GLU HN 6.00 (# 318:10 Unique 4.61, 5.31 A)
&rst
ixpk= 318, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 0 AMB 10-2:319 17 GLU HN 4.30 (# 319:10 Single Ambig)
&rst
ixpk= 319, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 246, 247, 248, 250, 251, 252, 66, 67, 68, 70,
71, 72,
&end
#
# 0 AMB 10-2:320 17 GLU HN 4.30 (# 320:10 Single Ambig)
&rst
ixpk= 320, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 266, 267, 246, 247, 248, 250, 251, 252,
&end
#
# 16 ILE HG1- 17 GLU HN 4.30 (# 321:10 Unique 3.61, 4.18 A)
&rst
ixpk= 321, nxpk= 10, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 266, 267,
&end
#
# 38 VAL MGX 37 ALA HN 6.00 (# 324:10 Unique 4.46, 6.33 A)
&rst
ixpk= 324, 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
#
# 36 GLU HG+ 37 ALA HN 4.30 (# 326:10 Unique 4.40, 4.71 A)
&rst
ixpk= 326, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 594, 595,
&end
#
# 36 GLU HB- 37 ALA HN 4.30 (# 327:10 Unique 2.61, 3.11 A)
&rst
ixpk= 327, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 591, 592,
&end
#
# 0 AMB 10-2:328 37 ALA HN 6.00 (# 328:10 Single Ambig)
&rst
ixpk= 328, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 594, 595, 580, 581,
&end
#
# 34 GLY HA+ 37 ALA HN 4.30 (# 330:10 Unique 3.38, 4.12 A)
&rst
ixpk= 330, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 568, 569,
&end
#
# 0 AMB 10-2:331 37 ALA HN 6.00 (# 331:10 Single Ambig)
&rst
ixpk= 331, nxpk= 10, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 568, 569, 647, 648,
&end
#
# 7 TYR HB+ 8 LYS HN 4.30 (# 336:10 Unique 2.72, 3.36 A)
&rst
ixpk= 336, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 119, 120,
&end
#
# 0 AMB 10-2:337 8 LYS HN 6.00 (# 337:10 Single Ambig)
&rst
ixpk= 337, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 162, 163, 618, 619, 620, 622, 623, 624,
&end
#
# 0 AMB 10-2:338 8 LYS HN 4.30 (# 338:10 Single Ambig)
&rst
ixpk= 338, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 143, 144, 176, 177,
&end
#
# 43 THR MG2 8 LYS HN 6.00 (# 339:10 Unique 6.06, 7.20 A)
&rst
ixpk= 339, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 694, 695, 696,
&end
#
# 7 TYR HD 8 LYS HN 4.30 (# 340:10 Unique 4.09, 4.97 A)
&rst
ixpk= 340, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 123, 132,
&end
#
# 0 AMB 10-2:341 8 LYS HN 4.30 (# 341:10 Single Ambig)
&rst
ixpk= 341, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 158, 688,
&end
#
# 16 ILE MG2 15 VAL HN 6.00 (# 342:10 Unique 4.04, 4.96 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 262, 263, 264,
&end
#
# 15 VAL MGY 15 VAL HN 2.60 (# 343:10 Unique 2.19, 4.14 A)
&rst
ixpk= 343, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 15 VAL MGX 15 VAL HN 4.30 (# 344:10 Unique 2.19, 4.14 A)
&rst
ixpk= 344, 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 10-2:345 3 LYS HN 4.30 (# 345:10 Single Ambig)
&rst
ixpk= 345, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 45, 46, 8, 9, 10,
&end
#
# 16 ILE MD1 16 ILE HN 6.00 (# 346:10 Unique 4.76, 4.97 A)
&rst
ixpk= 346, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 0 AMB 10-2:347 16 ILE HN 4.30 (# 347:10 Single Ambig)
&rst
ixpk= 347, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 244, 279, 280, 279, 280,
&end
#
# 7 TYR HB- 16 ILE HN 6.00 (# 348:10 Unique 3.44, 4.12 A)
&rst
ixpk= 348, 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 4.30 (# 349:10 Unique 3.44, 4.12 A)
&rst
ixpk= 349, nxpk= 10, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 119, 120,
&end
#
# 8 LYS HA 16 ILE HN 4.30 (# 350:10 Unique 3.68, 3.73 A)
&rst
ixpk= 350, nxpk= 10, iat= 138, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 29 TRP HH2 16 ILE HN 4.30 (# 351:10 Unique 3.40, 3.60 A)
&rst
ixpk= 351, nxpk= 10, iat= 479, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 15 VAL HN 16 ILE HN 6.00 (# 352:10 Unique 4.36, 4.36 A)
&rst
ixpk= 352, nxpk= 10, iat= 240, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 GLU HN 16 ILE HN 4.30 (# 353:10 Unique 4.35, 4.36 A)
&rst
ixpk= 353, nxpk= 10, iat= 275, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 5 LYS HG- 6 GLN HN 4.30 (# 354:10 Unique 3.94, 4.47 A)
&rst
ixpk= 354, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 83, 84,
&end
#
# 5 LYS HB+ 6 GLN HN 4.30 (# 355:10 Unique 3.46, 3.99 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 80, 81,
&end
#
# 6 GLN HG+ 6 GLN HN 4.30 (# 356:10 Unique 4.23, 4.45 A)
&rst
ixpk= 356, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 105, 106,
&end
#
# 5 LYS HG+ 6 GLN HN 4.30 (# 357:10 Unique 3.94, 4.47 A)
&rst
ixpk= 357, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 83, 84,
&end
#
# 43 THR HB 6 GLN HN 6.00 (# 358:10 Unique 4.19, 4.28 A)
&rst
ixpk= 358, nxpk= 10, iat= 692, 98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:359 6 GLN HN 6.00 (# 359:10 Single Ambig)
&rst
ixpk= 359, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 690, 723,
&end
#
# 44 LEU HA 6 GLN HN 4.30 (# 360:10 Unique 3.66, 3.72 A)
&rst
ixpk= 360, nxpk= 10, iat= 704, 98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HN 6 GLN HN 6.00 (# 362:10 Unique 4.53, 4.55 A)
&rst
ixpk= 362, nxpk= 10, iat= 115, 98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TRP HB- 42 ALA HN 4.30 (# 363:10 Unique 3.29, 3.77 A)
&rst
ixpk= 363, 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 6.00 (# 364:10 Unique 3.29, 3.77 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 658, 659,
&end
#
# 39 GLU HA 42 ALA HN 4.30 (# 365:10 Unique 3.13, 3.22 A)
&rst
ixpk= 365, nxpk= 10, iat= 630, 678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 40 SER HA 42 ALA HN 4.30 (# 366:10 Unique 3.61, 3.67 A)
&rst
ixpk= 366, nxpk= 10, iat= 645, 678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:367 42 ALA HN 4.30 (# 367:10 Single Ambig)
&rst
ixpk= 367, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 656, 117,
&end
#
# 7 TYR HE 42 ALA HN 4.30 (# 368:10 Unique 3.57, 5.31 A)
&rst
ixpk= 368, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 125, 130,
&end
#
# 0 AMB 10-2:370 42 ALA HN 4.30 (# 370:10 Single Ambig)
&rst
ixpk= 370, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 643, 673,
&end
#
# 0 AMB 10-2:371 42 ALA HN 6.00 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 688, 98,
&end
#
# 0 AMB 10-2:372 4 VAL HN 4.30 (# 372:10 Single Ambig)
&rst
ixpk= 372, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 45, 46, 83, 84,
&end
#
# 0 AMB 10-2:373 4 VAL HN 4.30 (# 373:10 Single Ambig)
&rst
ixpk= 373, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 45, 46,
&end
#
# 0 AMB 10-2:374 4 VAL HN 4.30 (# 374:10 Single Ambig)
&rst
ixpk= 374, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 725, 726, 709,
&end
#
# 2 ARG HG- 2 ARG HN 4.30 (# 376:10 Unique 2.27, 2.94 A)
&rst
ixpk= 376, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 21, 22,
&end
#
# 16 ILE MD1 26 LEU HN 4.30 (# 377:10 Unique 3.33, 4.09 A)
&rst
ixpk= 377, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 269, 270, 271,
&end
#
# 26 LEU MDY 26 LEU HN 6.00 (# 378:10 Unique 4.59, 5.24 A)
&rst
ixpk= 378, 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 MDX 26 LEU HN 6.00 (# 379:10 Unique 4.59, 5.24 A)
&rst
ixpk= 379, 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
#
# 0 AMB 10-2:380 26 LEU HN 4.30 (# 380:10 Single Ambig)
&rst
ixpk= 380, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 400, 401, 402, 262, 263, 264,
&end
#
# 0 AMB 10-2:381 26 LEU HN 6.00 (# 381:10 Single Ambig)
&rst
ixpk= 381, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 431, 432, 431, 432, 495, 496,
&end
#
# 23 HIS HB- 26 LEU HN 4.30 (# 382:10 Unique 3.23, 4.16 A)
&rst
ixpk= 382, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 358, 359,
&end
#
# 23 HIS HB+ 26 LEU HN 6.00 (# 383:10 Unique 3.23, 4.16 A)
&rst
ixpk= 383, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 358, 359,
&end
#
# 0 AMB 10-2:384 26 LEU HN 4.30 (# 384:10 Single Ambig)
&rst
ixpk= 384, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 396, 374, 429,
&end
#
# 38 VAL MGX 31 ALA HN 6.00 (# 385:10 Unique 4.99, 6.50 A)
&rst
ixpk= 385, 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
#
# 25 THR MG2 28 GLU HN 6.00 (# 386:10 Unique 5.66, 6.16 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 400, 401, 402,
&end
#
# 0 AMB 10-2:387 31 ALA HN 4.30 (# 387:10 Single Ambig)
&rst
ixpk= 387, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 495, 496, 524, 525,
&end
#
# 0 AMB 10-2:388 28 GLU HN 6.00 (# 388:10 Single Ambig)
&rst
ixpk= 388, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 379, 380, 434, 435,
&end
#
# 27 LYS HG- 31 ALA HN 6.00 (# 389:10 Unique 5.70, 6.47 A)
&rst
ixpk= 389, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 434, 435,
&end
#
# 0 AMB 10-2:390 28 GLU HN 4.30 (# 390:10 Single Ambig)
&rst
ixpk= 390, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 382, 383, 382, 383, 437, 438, 437, 438, 412, 413,
&end
#
# 0 AMB 10-2:391 31 ALA HN 6.00 (# 391:10 Single Ambig)
&rst
ixpk= 391, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 456, 457, 580, 581,
&end
#
# 0 AMB 10-2:392 31 ALA HN 6.00 (# 392:10 Single Ambig)
&rst
ixpk= 392, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534, 453, 454,
&end
#
# 26 LEU HA 28 GLU HN 6.00 (# 393:10 Unique 4.57, 4.63 A)
&rst
ixpk= 393, nxpk= 10, iat= 410, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:395 31 ALA HN 6.00 (# 395:10 Single Ambig)
&rst
ixpk= 395, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 522, 583,
&end
#
# 29 TRP HA 31 ALA HN 6.00 (# 396:10 Unique 4.33, 4.41 A)
&rst
ixpk= 396, nxpk= 10, iat= 466, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 TRP HN 31 ALA HN 6.00 (# 397:10 Unique 4.32, 4.37 A)
&rst
ixpk= 397, nxpk= 10, iat= 542, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HN 31 ALA HN 6.00 (# 398:10 Unique 4.19, 4.25 A)
&rst
ixpk= 398, nxpk= 10, iat= 464, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HN 31 ALA HN 6.00 (# 399:10 Unique 4.19, 4.25 A)
&rst
ixpk= 399, nxpk= 10, iat= 464, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:400 29 TRP HN 4.30 (# 400:10 Single Ambig)
&rst
ixpk= 400, 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 10-2:401 29 TRP HN 6.00 (# 401:10 Single Ambig)
&rst
ixpk= 401, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 431, 432, 431, 432,
&end
#
# 0 AMB 10-2:402 29 TRP HN 6.00 (# 402:10 Single Ambig)
&rst
ixpk= 402, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 533, 534, 456, 457,
&end
#
# 28 GLU HG- 29 TRP HN 4.30 (# 403:10 Unique 4.65, 4.87 A)
&rst
ixpk= 403, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 456, 457,
&end
#
# 0 AMB 10-2:404 29 TRP HN 4.30 (# 404:10 Single Ambig)
&rst
ixpk= 404, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 396, 429,
&end
#
# 26 LEU HN 29 TRP HN 6.00 (# 405:10 Unique 4.63, 4.65 A)
&rst
ixpk= 405, nxpk= 10, iat= 408, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:406 29 TRP HN 4.30 (# 406:10 Single Ambig)
&rst
ixpk= 406, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 510, 427,
&end
#
# 30 LYS HN 29 TRP HN 4.30 (# 407:10 Unique 2.76, 2.82 A)
&rst
ixpk= 407, nxpk= 10, iat= 488, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 ASN HB- 14 GLU HN 4.30 (# 408:10 Unique 2.81, 3.96 A)
&rst
ixpk= 408, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 162, 163,
&end
#
# 15 VAL MGY 14 GLU HN 6.00 (# 409:10 Unique 5.28, 7.30 A)
&rst
ixpk= 409, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 246, 247, 248, 250, 251, 252,
&end
#
# 12 THR MG2 14 GLU HN 4.30 (# 410:10 Unique 4.71, 5.03 A)
&rst
ixpk= 410, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 210, 211, 212,
&end
#
# 13 GLY HA- 14 GLU HN 4.30 (# 411:10 Unique 3.21, 3.35 A)
&rst
ixpk= 411, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 220, 221,
&end
#
# 12 THR HA 14 GLU HN 6.00 (# 412:10 Unique 4.35, 4.42 A)
&rst
ixpk= 412, nxpk= 10, iat= 206, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HN 14 GLU HN 6.00 (# 414:10 Unique 3.46, 3.62 A)
&rst
ixpk= 414, nxpk= 10, iat= 204, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HN 14 GLU HN 6.00 (# 415:10 Unique 4.61, 4.64 A)
&rst
ixpk= 415, nxpk= 10, iat= 240, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ASN HN 14 GLU HN 6.00 (# 416:10 Unique 3.85, 3.90 A)
&rst
ixpk= 416, nxpk= 10, iat= 158, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 VAL MGY 30 LYS HN 4.30 (# 417:10 Unique 3.19, 4.49 A)
&rst
ixpk= 417, 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
#
# 31 ALA MB 30 LYS HN 6.00 (# 418:10 Unique 4.80, 5.36 A)
&rst
ixpk= 418, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 514, 515, 516,
&end
#
# 26 LEU HA 30 LYS HN 6.00 (# 419:10 Unique 3.98, 4.05 A)
&rst
ixpk= 419, nxpk= 10, iat= 410, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:420 30 LYS HN 6.00 (# 420:10 Single Ambig)
&rst
ixpk= 420, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 583, 522,
&end
#
# 0 AMB 10-2:421 30 LYS HN 6.00 (# 421:10 Single Ambig)
&rst
ixpk= 421, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 451, 512,
&end
#
# 29 TRP HA 30 LYS HN 6.00 (# 422:10 Unique 3.57, 3.57 A)
&rst
ixpk= 422, nxpk= 10, iat= 466, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:423 30 LYS HN 6.00 (# 423:10 Single Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 520, 472, 566,
&end
#
# 28 GLU HN 30 LYS HN 6.00 (# 424:10 Unique 4.33, 4.36 A)
&rst
ixpk= 424, nxpk= 10, iat= 449, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:425 22 ASN HN 6.00 (# 425:10 Single Ambig)
&rst
ixpk= 425, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 344, 345,
&end
#
# 22 ASN HB+ 22 ASN HN 6.00 (# 426:10 Unique 2.39, 2.69 A)
&rst
ixpk= 426, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 344, 345,
&end
#
# 0 AMB 10-2:427 22 ASN HN 4.50 (# 427:10 Single Ambig)
&rst
ixpk= 427, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 335, 336, 335, 336,
&end
#
# 0 AMB 10-2:428 47 HIS HN 4.30 (# 428:10 Single Ambig)
&rst
ixpk= 428, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 742, 743, 742, 743,
&end
#
# 47 HIS HB- 47 HIS HN 6.00 (# 429:10 Unique 2.62, 3.34 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 751, 752,
&end
#
# 16 ILE MD1 25 THR HN 6.00 (# 430:10 Unique 4.96, 5.79 A)
&rst
ixpk= 430, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 0 AMB 10-2:431 25 THR HN 4.30 (# 431:10 Single Ambig)
&rst
ixpk= 431, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 400, 401, 402, 262, 263, 264,
&end
#
# 24 LYS HG- 25 THR HN 6.00 (# 432:10 Unique 3.37, 4.53 A)
&rst
ixpk= 432, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 380,
&end
#
# 24 LYS HG+ 25 THR HN 6.00 (# 433:10 Unique 3.37, 4.53 A)
&rst
ixpk= 433, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 380,
&end
#
# 0 AMB 10-2:434 25 THR HN 6.00 (# 434:10 Single Ambig)
&rst
ixpk= 434, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 412, 413, 434, 435,
&end
#
# 24 LYS HB- 25 THR HN 4.30 (# 435:10 Unique 2.53, 3.24 A)
&rst
ixpk= 435, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 376, 377,
&end
#
# 24 LYS HB+ 25 THR HN 4.30 (# 436:10 Unique 2.53, 3.24 A)
&rst
ixpk= 436, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 376, 377,
&end
#
# 0 AMB 10-2:438 25 THR HN 4.30 (# 438:10 Single Ambig)
&rst
ixpk= 438, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 364, 449,
&end
#
# 0 AMB 10-2:439 25 THR HN 6.00 (# 439:10 Single Ambig)
&rst
ixpk= 439, nxpk= 10, iat= 427, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PRO HD+ 11 HIS HN 6.00 (# 440:10 Unique 3.17, 3.81 A)
&rst
ixpk= 440, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 173, 174,
&end
#
# 11 HIS HB+ 11 HIS HN 4.30 (# 441:10 Unique 2.35, 2.98 A)
&rst
ixpk= 441, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 190, 191,
&end
#
# 10 PRO HB- 11 HIS HN 6.00 (# 442:10 Unique 3.02, 3.77 A)
&rst
ixpk= 442, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 179, 180,
&end
#
# 10 PRO HD- 11 HIS HN 4.30 (# 443:10 Unique 3.17, 3.81 A)
&rst
ixpk= 443, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 173, 174,
&end
#
# 10 PRO HG- 11 HIS HN 4.30 (# 444:10 Unique 3.03, 4.60 A)
&rst
ixpk= 444, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 176, 177,
&end
#
# 10 PRO HA 11 HIS HN 6.00 (# 445:10 Unique 3.46, 3.54 A)
&rst
ixpk= 445, nxpk= 10, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 HIS HA 11 HIS HN 4.30 (# 446:10 Unique 2.87, 2.91 A)
&rst
ixpk= 446, nxpk= 10, iat= 188, 186, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 13 GLY HN 11 HIS HN 6.00 (# 448:10 Unique 3.84, 3.94 A)
&rst
ixpk= 448, nxpk= 10, iat= 218, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ALA MB 36 GLU HN 4.30 (# 450:10 Unique 4.78, 5.36 A)
&rst
ixpk= 450, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 606, 607, 608,
&end
#
# 35 PRO HD- 36 GLU HN 4.30 (# 453:10 Unique 3.09, 3.69 A)
&rst
ixpk= 453, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 574, 575,
&end
#
# 34 GLY HA- 36 GLU HN 6.00 (# 454:10 Unique 3.88, 4.11 A)
&rst
ixpk= 454, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 568, 569,
&end
#
# 34 GLY HA+ 36 GLU HN 4.30 (# 455:10 Unique 3.88, 4.11 A)
&rst
ixpk= 455, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 568, 569,
&end
#
# 38 VAL HN 36 GLU HN 6.00 (# 458:10 Unique 4.22, 4.25 A)
&rst
ixpk= 458, nxpk= 10, iat= 612, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 GLU HN 36 GLU HN 6.00 (# 459:10 Unique 4.67, 4.69 A)
&rst
ixpk= 459, nxpk= 10, iat= 628, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU MDX 27 LYS HN 6.00 (# 460:10 Unique 4.38, 5.39 A)
&rst
ixpk= 460, 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
#
# 27 LYS HG- 27 LYS HN 4.30 (# 461:10 Unique 2.20, 3.00 A)
&rst
ixpk= 461, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 434, 435,
&end
#
# 0 AMB 10-2:462 27 LYS HN 6.00 (# 462:10 Single Ambig)
&rst
ixpk= 462, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 492, 493, 376, 377,
&end
#
# 28 GLU HB+ 27 LYS HN 6.00 (# 463:10 Unique 4.69, 5.50 A)
&rst
ixpk= 463, nxpk= 10, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 453, 454,
&end
#
# 26 LEU HA 27 LYS HN 4.30 (# 465:10 Unique 3.62, 3.63 A)
&rst
ixpk= 465, nxpk= 10, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 32 LYS HG+ 32 LYS HN 4.30 (# 466:10 Unique 2.50, 3.27 A)
&rst
ixpk= 466, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 527, 528,
&end
#
# 30 LYS HA 32 LYS HN 6.00 (# 469:10 Unique 4.42, 4.47 A)
&rst
ixpk= 469, nxpk= 10, iat= 490, 520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HA 32 LYS HN 4.30 (# 470:10 Unique 3.21, 3.31 A)
&rst
ixpk= 470, nxpk= 10, iat= 466, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 32 LYS HG- 32 LYS HN 6.00 (# 471:10 Unique 2.50, 3.27 A)
&rst
ixpk= 471, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 527, 528,
&end
#
# 30 LYS HN 32 LYS HN 6.00 (# 472:10 Unique 4.07, 4.11 A)
&rst
ixpk= 472, nxpk= 10, iat= 488, 520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:473 43 THR HN 4.30 (# 473:10 Single Ambig)
&rst
ixpk= 473, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 102, 103, 105, 106,
&end
#
# 44 LEU HA 43 THR HN 6.00 (# 474:10 Unique 4.60, 4.74 A)
&rst
ixpk= 474, nxpk= 10, iat= 704, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 VAL MGX 33 TRP HN 4.30 (# 475:10 Unique 3.96, 5.73 A)
&rst
ixpk= 475, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 32 LYS HB+ 33 TRP HN 4.30 (# 476:10 Unique 2.81, 3.33 A)
&rst
ixpk= 476, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 524, 525,
&end
#
# 30 LYS HA 33 TRP HN 4.30 (# 477:10 Unique 3.78, 3.83 A)
&rst
ixpk= 477, nxpk= 10, iat= 490, 542, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:478 33 TRP HN 4.30 (# 478:10 Single Ambig)
&rst
ixpk= 478, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 522, 583,
&end
#
# 34 GLY HA- 33 TRP HN 6.00 (# 479:10 Unique 4.40, 4.74 A)
&rst
ixpk= 479, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 568, 569,
&end
#
# 29 TRP HA 33 TRP HN 6.00 (# 480:10 Unique 3.60, 3.68 A)
&rst
ixpk= 480, nxpk= 10, iat= 466, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 TYR HA 43 THR HN 4.30 (# 482:10 Unique 3.82, 3.86 A)
&rst
ixpk= 482, nxpk= 10, iat= 117, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 42 ALA HN 43 THR HN 6.00 (# 483:10 Unique 4.63, 4.64 A)
&rst
ixpk= 483, nxpk= 10, iat= 678, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 TRP HD1 33 TRP HN 6.00 (# 484:10 Unique 4.85, 4.97 A)
&rst
ixpk= 484, nxpk= 10, iat= 550, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 VAL MGX 39 GLU HN 4.30 (# 488:10 Unique 3.60, 4.70 A)
&rst
ixpk= 488, 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 MB 39 GLU HN 6.00 (# 489:10 Unique 5.08, 5.64 A)
&rst
ixpk= 489, 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 4.30 (# 490:10 Unique 4.24, 5.06 A)
&rst
ixpk= 490, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 495, 496,
&end
#
# 30 LYS HE- 39 GLU HN 6.00 (# 491:10 Unique 3.80, 4.62 A)
&rst
ixpk= 491, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 501, 502,
&end
#
# 0 AMB 10-2:492 40 SER HN 6.00 (# 492:10 Single Ambig)
&rst
ixpk= 492, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 682, 683, 684, 618, 619, 620, 622, 623, 624,
&end
#
# 37 ALA MB 40 SER HN 6.00 (# 493:10 Unique 5.27, 5.49 A)
&rst
ixpk= 493, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 0 AMB 10-2:494 40 SER HN 4.30 (# 494:10 Single Ambig)
&rst
ixpk= 494, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 635, 636, 635, 636,
&end
#
# 0 AMB 10-2:497 40 SER HN 4.30 (# 497:10 Single Ambig)
&rst
ixpk= 497, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 612, 123, 132,
&end
#
# 42 ALA HN 40 SER HN 4.30 (# 498:10 Unique 3.96, 4.02 A)
&rst
ixpk= 498, nxpk= 10, iat= 678, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 ALA HN 40 SER HN 6.00 (# 499:10 Unique 4.64, 4.70 A)
&rst
ixpk= 499, nxpk= 10, iat= 602, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:500 18 THR HN 6.00 (# 500:10 Single Ambig)
&rst
ixpk= 500, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 80, 81,
&end
#
# 17 GLU HG- 18 THR HN 4.30 (# 501:10 Unique 3.88, 4.40 A)
&rst
ixpk= 501, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 282, 283,
&end
#
# 17 GLU HG+ 18 THR HN 6.00 (# 502:10 Unique 3.88, 4.40 A)
&rst
ixpk= 502, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 282, 283,
&end
#
# 18 THR HB 18 THR HN 4.30 (# 503:10 Unique 3.48, 3.53 A)
&rst
ixpk= 503, nxpk= 10, iat= 294, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 TYR HE 18 THR HN 6.00 (# 505:10 Unique 3.64, 6.03 A)
&rst
ixpk= 505, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 7 TYR HD 18 THR HN 6.00 (# 506:10 Unique 3.76, 5.96 A)
&rst
ixpk= 506, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 123, 132,
&end
#
# 0 AMB 10-2:507 18 THR HN 4.30 (# 507:10 Single Ambig)
&rst
ixpk= 507, nxpk= 10, iat= 275, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 22 ASN HB+ 22 ASN HD2+ 4.30 (# 508:10 Unique 2.23, 3.23 A)
&rst
ixpk= 508, 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 (# 509:10 Unique 2.23, 3.23 A)
&rst
ixpk= 509, 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 (# 510:10 Unique 2.23, 3.23 A)
&rst
ixpk= 510, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 344, 345,
igr2= 349, 350,
&end
#
# 6 GLN HB- 6 GLN HE2+ 4.30 (# 511:10 Unique 2.30, 3.50 A)
&rst
ixpk= 511, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 102, 103,
igr2= 110, 111,
&end
#
# 17 GLU HG- 6 GLN HE2+ 6.00 (# 512:10 Unique 3.04, 5.62 A)
&rst
ixpk= 512, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 282, 283,
igr2= 110, 111,
&end
#
# 6 GLN HB- 6 GLN HE2- 4.30 (# 513:10 Unique 2.30, 3.50 A)
&rst
ixpk= 513, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 102, 103,
igr2= 110, 111,
&end
#
# 12 THR MG2 13 GLY HN 4.30 (# 514:10 Unique 4.34, 4.93 A)
&rst
ixpk= 514, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 210, 211, 212,
&end
#
# 9 ASN HB+ 13 GLY HN 4.30 (# 515:10 Unique 3.47, 4.55 A)
&rst
ixpk= 515, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 162, 163,
&end
#
# 0 AMB 10-2:516 13 GLY HN 6.00 (# 516:10 Single Ambig)
&rst
ixpk= 516, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 149, 150, 149, 150,
&end
#
# 10 PRO HA 13 GLY HN 6.00 (# 517:10 Unique 3.04, 3.51 A)
&rst
ixpk= 517, nxpk= 10, iat= 182, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HB 13 GLY HN 6.00 (# 518:10 Unique 4.01, 4.08 A)
&rst
ixpk= 518, nxpk= 10, iat= 208, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HA 13 GLY HN 4.30 (# 519:10 Unique 3.46, 3.49 A)
&rst
ixpk= 519, nxpk= 10, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 ASN HN 13 GLY HN 6.00 (# 520:10 Unique 4.31, 4.41 A)
&rst
ixpk= 520, nxpk= 10, iat= 158, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 VAL MGX 34 GLY HN 4.30 (# 521:10 Unique 3.91, 5.85 A)
&rst
ixpk= 521, 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
#
# 0 AMB 10-2:522 34 GLY HN 6.00 (# 522:10 Single Ambig)
&rst
ixpk= 522, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 524, 525, 495, 496,
&end
#
# 37 ALA MB 34 GLY HN 6.00 (# 523:10 Unique 4.56, 5.69 A)
&rst
ixpk= 523, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 606, 607, 608,
&end
#
# 31 ALA MB 34 GLY HN 6.00 (# 524:10 Unique 5.94, 6.18 A)
&rst
ixpk= 524, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 514, 515, 516,
&end
#
# 30 LYS HB- 34 GLY HN 6.00 (# 525:10 Unique 4.90, 5.32 A)
&rst
ixpk= 525, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 492, 493,
&end
#
# 33 TRP HB- 34 GLY HN 4.30 (# 526:10 Unique 3.53, 3.94 A)
&rst
ixpk= 526, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 546, 547,
&end
#
# 33 TRP HB+ 34 GLY HN 6.00 (# 527:10 Unique 3.53, 3.94 A)
&rst
ixpk= 527, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 546, 547,
&end
#
# 35 PRO HD+ 34 GLY HN 4.30 (# 528:10 Unique 3.72, 4.06 A)
&rst
ixpk= 528, nxpk= 10, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 574, 575,
&end
#
# 32 LYS HA 34 GLY HN 6.00 (# 529:10 Unique 4.59, 4.76 A)
&rst
ixpk= 529, nxpk= 10, iat= 522, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ALA HA 34 GLY HN 6.00 (# 530:10 Unique 4.26, 4.34 A)
&rst
ixpk= 530, nxpk= 10, iat= 512, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 GLY HA+ 20 GLY HN 4.50 (# 532:10 Unique 2.54, 2.84 A)
&rst
ixpk= 532, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 328, 329,
&end
#
# 0 AMB 10-2:533 20 GLY HN 4.30 (# 533:10 Single Ambig)
&rst
ixpk= 533, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 328, 329,
&end
#
# 0 AMB 10-2:535 46 GLY HN 4.30 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 711, 712, 713, 715, 716, 717, 730, 731, 732, 734,
735, 736, 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 10-2:536 21 GLY HN 5.00 (# 536:10 Single Ambig)
&rst
ixpk= 536, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 335, 336, 335, 336,
&end
#
# 20 GLY HA+ 21 GLY HN 5.00 (# 537:10 Unique 2.30, 2.81 A)
&rst
ixpk= 537, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 328, 329,
&end
#
# 9 ASN HB+ 12 THR HN 6.00 (# 538:10 Unique 3.45, 4.25 A)
&rst
ixpk= 538, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 162, 163,
&end
#
# 11 HIS HB- 12 THR HN 4.30 (# 539:10 Unique 2.91, 3.58 A)
&rst
ixpk= 539, 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 6.00 (# 540:10 Unique 2.91, 3.58 A)
&rst
ixpk= 540, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 190, 191,
&end
#
# 13 GLY HA- 12 THR HN 6.00 (# 541:10 Unique 4.29, 4.57 A)
&rst
ixpk= 541, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 220, 221,
&end
#
# 11 HIS HA 12 THR HN 6.00 (# 542:10 Unique 3.47, 3.51 A)
&rst
ixpk= 542, nxpk= 10, iat= 188, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HB 12 THR HN 6.00 (# 543:10 Unique 3.78, 3.79 A)
&rst
ixpk= 543, nxpk= 10, iat= 208, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HA 12 THR HN 4.30 (# 544:10 Unique 3.00, 3.01 A)
&rst
ixpk= 544, nxpk= 10, iat= 206, 204, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 0 AMB 10-2:545 29 TRP HE1 6.00 (# 545:10 Single Ambig)
&rst
ixpk= 545, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 453, 454, 229, 230,
&end
#
# 16 ILE HN 15 VAL HN 4.30 (# 548:10 Unique 4.36, 4.36 A)
&rst
ixpk= 548, nxpk= 10, iat= 256, 240, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 14 GLU HN 15 VAL HN 6.00 (# 549:10 Unique 4.61, 4.64 A)
&rst
ixpk= 549, nxpk= 10, iat= 225, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ILE HN 17 GLU HN 4.30 (# 551:10 Unique 4.35, 4.36 A)
&rst
ixpk= 551, nxpk= 10, iat= 256, 275, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 5 LYS HB+ 18 THR HN 6.00 (# 552:10 Unique 3.89, 4.36 A)
&rst
ixpk= 552, nxpk= 10, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 80, 81,
&end
#
# 0 AMB 10-2:555 23 HIS HN 6.00 (# 555:10 Single Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 358, 359,
&end
#
# 23 HIS HB+ 23 HIS HN 6.00 (# 556:10 Unique 2.24, 2.66 A)
&rst
ixpk= 556, nxpk= 10, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 358, 359,
&end
#
# 23 HIS HA 23 HIS HN 6.00 (# 557:10 Unique 2.76, 2.90 A)
&rst
ixpk= 557, nxpk= 10, iat= 356, 354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 THR HB 27 LYS HN 6.00 (# 559:10 Unique 5.11, 5.23 A)
&rst
ixpk= 559, nxpk= 10, iat= 398, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ALA MB 28 GLU HN 6.00 (# 560:10 Unique 5.06, 5.75 A)
&rst
ixpk= 560, nxpk= 10, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 514, 515, 516,
&end
#
# 36 GLU HB- 36 GLU HN 2.60 (# 562:10 Unique 2.30, 2.97 A)
&rst
ixpk= 562, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 591, 592,
&end
#
# 37 ALA HN 34 GLY HN 6.00 (# 563:10 Unique 5.55, 5.68 A)
&rst
ixpk= 563, nxpk= 10, iat= 602, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HG- 38 VAL HN 4.30 (# 564:10 Unique 4.31, 5.06 A)
&rst
ixpk= 564, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 495, 496,
&end
#
# 30 LYS HA 38 VAL HN 6.00 (# 565:10 Unique 4.19, 4.23 A)
&rst
ixpk= 565, nxpk= 10, iat= 490, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:566 38 VAL HN 6.00 (# 566:10 Single Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 643, 566,
&end
#
# 36 GLU HN 38 VAL HN 6.00 (# 567:10 Unique 4.22, 4.25 A)
&rst
ixpk= 567, nxpk= 10, iat= 587, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 GLU HG- 7 TYR HN 6.00 (# 568:10 Unique 3.74, 4.18 A)
&rst
ixpk= 568, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 282, 283,
&end
#
# 12 THR MG2 11 HIS HN 4.30 (# 569:10 Unique 4.08, 5.32 A)
&rst
ixpk= 569, nxpk= 10, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 210, 211, 212,
&end
#
# 24 LYS HG- 24 LYS HN 6.00 (# 572:10 Unique 2.00, 3.81 A)
&rst
ixpk= 572, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 380,
&end
#
# 28 GLU HN 26 LEU HN 6.00 (# 573:10 Unique 4.04, 4.11 A)
&rst
ixpk= 573, nxpk= 10, iat= 449, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:574 29 TRP HN 6.00 (# 574:10 Single Ambig)
&rst
ixpk= 574, nxpk= 10, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
igr1= 498, 499, 498, 499, 382, 383, 382, 383, 616, 437,
438, 437, 438,
&end
#
# 29 TRP HN 30 LYS HN 4.30 (# 575:10 Unique 2.76, 2.82 A)
&rst
ixpk= 575, nxpk= 10, iat= 464, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 TRP HD1 40 SER HN 6.00 (# 576:10 Unique 4.80, 4.90 A)
&rst
ixpk= 576, nxpk= 10, iat= 662, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:577 2 ARG HN 6.00 (# 577:10 Single Ambig)
&rst
ixpk= 577, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 24, 25, 24, 25,
&end
#
# 0 AMB 10-2:578 2 ARG HN 6.00 (# 578:10 Single Ambig)
&rst
ixpk= 578, nxpk= 10, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 51, 52, 51, 52,
&end
#
# 0 AMB 10-2:579 3 LYS HN 2.60 (# 579:10 Single Ambig)
&rst
ixpk= 579, nxpk= 10, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 16, 40, 6,
&end
#
# 0 AMB 10-2:582 4 VAL HN 6.00 (# 582:10 Single Ambig)
&rst
ixpk= 582, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 51, 52, 51, 52,
&end
#
# 0 AMB 10-2:583 4 VAL HN 6.00 (# 583:10 Single Ambig)
&rst
ixpk= 583, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 742, 743, 742, 743,
&end
#
# 0 AMB 10-2:584 4 VAL HN 2.60 (# 584:10 Single Ambig)
&rst
ixpk= 584, nxpk= 10, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 66, 67, 68, 70, 71, 72, 711, 712, 713, 715,
716, 717, 730, 731, 732, 734, 735, 736,
&end
#
# 0 AMB 10-2:587 0 AMB 10-1:587 6.00 (# 587:10 Double Ambig)
&rst
ixpk= 587, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 100, 242,
igr2= 110, 111, 110, 111,
&end
#
# 16 ILE MG2 7 TYR HN 6.00 (# 589:10 Unique 5.78, 6.28 A)
&rst
ixpk= 589, nxpk= 10, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 262, 263, 264,
&end
#
# 0 AMB 10-2:590 8 LYS HN 6.00 (# 590:10 Single Ambig)
&rst
ixpk= 590, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 242, 100,
&end
#
# 29 TRP HZ2 9 ASN HN 6.00 (# 591:10 Unique 4.99, 5.24 A)
&rst
ixpk= 591, nxpk= 10, iat= 477, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ASN HB- 13 GLY HN 6.00 (# 592:10 Unique 3.47, 4.55 A)
&rst
ixpk= 592, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 162, 163,
&end
#
# 9 ASN HB+ 14 GLU HN 4.30 (# 593:10 Unique 2.81, 3.96 A)
&rst
ixpk= 593, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 162, 163,
&end
#
# 18 THR HB 17 GLU HN 6.00 (# 594:10 Unique 4.52, 4.75 A)
&rst
ixpk= 594, nxpk= 10, iat= 294, 275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 HIS HA 25 THR HN 6.00 (# 599:10 Unique 4.14, 4.33 A)
&rst
ixpk= 599, nxpk= 10, iat= 356, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 HIS HA 26 LEU HN 6.00 (# 600:10 Unique 4.65, 4.71 A)
&rst
ixpk= 600, nxpk= 10, iat= 356, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 LYS HG- 26 LEU HN 6.00 (# 602:10 Unique 4.24, 5.29 A)
&rst
ixpk= 602, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 434, 435,
&end
#
# 16 ILE HB 26 LEU HN 6.00 (# 603:10 Unique 5.57, 5.87 A)
&rst
ixpk= 603, nxpk= 10, iat= 260, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HE1 29 TRP HN 6.00 (# 604:10 Unique 4.66, 4.73 A)
&rst
ixpk= 604, nxpk= 10, iat= 474, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HN 29 TRP HE1 6.00 (# 605:10 Unique 4.66, 4.73 A)
&rst
ixpk= 605, nxpk= 10, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 LYS HG- 33 TRP HN 6.00 (# 606:10 Unique 4.61, 4.97 A)
&rst
ixpk= 606, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 527, 528,
&end
#
# 38 VAL MGX 36 GLU HN 6.00 (# 607:10 Unique 5.73, 7.19 A)
&rst
ixpk= 607, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 618, 619, 620, 622, 623, 624,
&end
#
# 36 GLU HN 37 ALA HN 2.60 (# 608:10 Unique 2.66, 2.67 A)
&rst
ixpk= 608, nxpk= 10, iat= 587, 602, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB 10-2:609 38 VAL HN 6.00 (# 609:10 Single Ambig)
&rst
ixpk= 609, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 591, 592, 577, 578,
&end
#
# 7 TYR HE 39 GLU HN 6.00 (# 610:10 Unique 4.17, 6.41 A)
&rst
ixpk= 610, nxpk= 10, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 125, 130,
&end
#
# 41 TRP HE1 41 TRP HN 6.00 (# 611:10 Unique 4.76, 4.82 A)
&rst
ixpk= 611, nxpk= 10, iat= 664, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TRP HN 41 TRP HE1 6.00 (# 612:10 Unique 4.76, 4.82 A)
&rst
ixpk= 612, nxpk= 10, iat= 654, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:614 45 LEU HN 6.00 (# 614:10 Single Ambig)
&rst
ixpk= 614, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 742, 743, 742, 743,
&end
#
# 0 AMB 10-2:615 45 LEU HN 4.30 (# 615:10 Single Ambig)
&rst
ixpk= 615, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 42, 43, 80, 81,
&end
#
# 0 AMB 10-2:617 36 GLU HN 2.20 (# 617:10 Single Ambig)
&rst
ixpk= 617, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 591, 592, 577, 578,
&end
#
# 0 AMB 10-2:618 36 GLU HN 4.30 (# 618:10 Single Ambig)
&rst
ixpk= 618, nxpk= 10, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 594, 595, 580, 581,
&end
#
# 0 AMB 20-2:831 26 LEU MDX 5.50 (# 831:20 Single Ambig)
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 335, 336, 335, 336, 328, 329,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 18 THR MG2 0 AMB 20-1:607 5.50 (# 607:20 Single Ambig)
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 296, 297, 298,
igr2= 328, 329, 335, 336, 335, 336,
&end
#
# 26 LEU MDX 0 AMB 20-1:608 5.50 (# 608:20 Single Ambig)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 417, 418, 419, 421, 422, 423,
igr2= 335, 336, 335, 336, 328, 329,
&end
#
# 0 AMB 20-2:846 26 LEU MDY 6.00 (# 846:20 Single Ambig)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 335, 336, 335, 336,
igr2= 417, 418, 419, 421, 422, 423,
&end
#
# 26 LEU MDY 0 AMB 20-1:2000 6.00 (# 2000:20 Single Ambi)
&rst
ixpk= 2000, 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= 335, 336, 335, 336,
&end
#
# 19 LYS HA 20 GLY HN 6.00 (# 700:10)
&rst
ixpk= 700, nxpk= 10, iat= 306, 326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 LYS HB+ 20 GLY HN 5.00 (# 701:10)
&rst
ixpk= 701, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 308, 309,
&end
#
# 19 LYS HB- 20 GLY HN 6.00 (# 702:10)
&rst
ixpk= 702, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 308, 309,
&end
#
# 18 THR MG2 20 GLY HN 6.00 (# 534:10 Unique)
&rst
ixpk= 534, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 296, 297, 298,
&end
Contact the webmaster for help, if required. Thursday, May 2, 2024 5:25:33 AM GMT (wattos1)