NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
20115 |
2f3i   |
cing | 1-original | 4 | AMBER | distance | NOE | simple |
#
# 30 CYS HN 40 ILE HA 5.00 (# 1:20 Unique 2.97, 3.31 A)
&rst
ixpk= 1, nxpk= 20, iat= 478, 633, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 41 LEU HN 40 ILE HA 3.00 (# 2:20 Unique 2.15, 2.31 A)
&rst
ixpk= 2, nxpk= 20, iat= 650, 633, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 ILE HN 40 ILE HA 5.00 (# 3:20 Unique 2.85, 2.89 A)
&rst
ixpk= 3, nxpk= 20, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 HIS HA 40 ILE HA 4.00 (# 4:20 Unique 1.88, 1.97 A)
&rst
ixpk= 4, nxpk= 20, iat= 463, 633, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 142 TYR HD 142 TYR HA 4.00 (# 8:20 Unique 2.38, 3.49 A)
&rst
ixpk= 8, nxpk= 20, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2214,2223,
&end
#
# 143 LEU HN 142 TYR HA 3.00 (# 9:20 Unique 2.04, 2.23 A)
&rst
ixpk= 9, nxpk= 20, iat=2227,2208, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 142 TYR HN 142 TYR HA 4.00 (# 13:20 Unique 2.89, 2.97 A)
&rst
ixpk= 13, nxpk= 20, iat=2206,2208, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 MET HN 115 TYR HA 5.00 (# 15:20 Unique 4.34, 4.62 A)
&rst
ixpk= 15, nxpk= 20, iat=1915,1796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 VAL HN 115 TYR HA 3.00 (# 16:20 Unique 2.18, 2.31 A)
&rst
ixpk= 16, nxpk= 20, iat=1815,1796, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 TYR HN 97 TYR HA 3.00 (# 18:20 Unique 2.92, 2.97 A)
&rst
ixpk= 18, nxpk= 20, iat=1529,1531, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 94 GLY HN 93 TYR HA 3.00 (# 19:20 Unique 2.29, 2.38 A)
&rst
ixpk= 19, nxpk= 20, iat=1484,1465, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 93 TYR HD 93 TYR HA 3.00 (# 20:20 Unique 2.28, 3.63 A)
&rst
ixpk= 20, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1471,1480,
&end
#
# 148 LEU HN 56 PHE HA 4.00 (# 22:20 Unique 2.07, 2.62 A)
&rst
ixpk= 22, nxpk= 20, iat=2326, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 ARG HN 56 PHE HA 3.00 (# 23:20 Unique 2.41, 2.64 A)
&rst
ixpk= 23, nxpk= 20, iat= 909, 891, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:24 0 AMB 20-1:24 4.00 (# 24:20 Double Ambig)
&rst
ixpk= 24, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 889, 174,
igr2= 891, 480,
&end
#
# 13 LYS HN 30 CYS HA 3.00 (# 27:20 Unique 2.05, 2.32 A)
&rst
ixpk= 27, nxpk= 20, iat= 190, 480, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 GLU HN 30 CYS HA 3.00 (# 28:20 Unique 2.20, 2.38 A)
&rst
ixpk= 28, nxpk= 20, iat= 489, 480, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:29 0 AMB 20-1:29 5.00 (# 29:20 Double Ambig)
&rst
ixpk= 29, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 933,1815,
igr2= 98,1833,
&end
#
# 8 ASP HN 7 GLU HA 3.00 (# 31:20 Preassigned 2.19, 2.29 A)
&rst
ixpk= 31, nxpk= 20, iat= 111, 98, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 PHE HD 7 GLU HA 5.00 (# 32:20 Unique 3.05, 5.11 A)
&rst
ixpk= 32, nxpk= 20, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 84, 92,
&end
#
# 59 VAL HA 7 GLU HA 3.00 (# 33:20 Unique 2.17, 2.30 A)
&rst
ixpk= 33, nxpk= 20, iat= 954, 98, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 GLU HN 7 GLU HA 3.00 (# 34:20 Unique 2.91, 2.94 A)
&rst
ixpk= 34, nxpk= 20, iat= 96, 98, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 GLU HN 31 GLU HA 4.00 (# 36:20 Unique 2.95, 2.97 A)
&rst
ixpk= 36, nxpk= 20, iat= 489, 491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 PHE HD 55 LYS HA 5.00 (# 39:20 Unique 2.66, 5.58 A)
&rst
ixpk= 39, nxpk= 20, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 897, 905,
&end
#
# 38 ASP HA 31 GLU HA 4.00 (# 40:20 Unique 2.11, 2.57 A)
&rst
ixpk= 40, nxpk= 20, iat= 602, 491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 SER HN 31 GLU HA 3.00 (# 41:20 Unique 2.16, 2.39 A)
&rst
ixpk= 41, nxpk= 20, iat= 504, 491, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:43 31 GLU HA 5.00 (# 43:20 Single Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 506, 585,
&end
#
# 0 AMB 20-2:44 95 LYS HA 5.00 (# 44:20 Single Ambig)
&rst
ixpk= 44, nxpk= 20, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1491,2190,
&end
#
# 0 AMB 20-2:45 55 LYS HA 3.00 (# 45:20 Single Ambig)
&rst
ixpk= 45, nxpk= 20, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 889, 174,
&end
#
# 31 GLU HA 38 ASP HA 4.00 (# 47:20 Unique 2.11, 2.57 A)
&rst
ixpk= 47, nxpk= 20, iat= 491, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 LEU HN 38 ASP HA 3.00 (# 49:20 Unique 2.09, 2.21 A)
&rst
ixpk= 49, nxpk= 20, iat= 612, 602, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 ILE HA 29 HIS HA 5.00 (# 50:20 Unique 1.88, 1.97 A)
&rst
ixpk= 50, nxpk= 20, iat= 633, 463, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 ASP HN 38 ASP HA 4.00 (# 51:20 Unique 2.92, 2.96 A)
&rst
ixpk= 51, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 ASP HN 38 ASP HA 3.00 (# 52:20 Unique 2.92, 2.96 A)
&rst
ixpk= 52, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 LEU HN 123 MET HA 4.00 (# 54:20 Preassigned 4.12, 4.36 A)
&rst
ixpk= 54, nxpk= 20, iat= 650,1917, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 CYS HN 29 HIS HA 3.00 (# 56:20 Unique 2.17, 2.28 A)
&rst
ixpk= 56, nxpk= 20, iat= 478, 463, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:57 29 HIS HA 3.00 (# 57:20 Single Ambig)
&rst
ixpk= 57, nxpk= 20, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 461, 650,
&end
#
# 40 ILE HA 29 HIS HA 5.00 (# 59:20 Unique 1.88, 1.97 A)
&rst
ixpk= 59, nxpk= 20, iat= 633, 463, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 ARG HN 123 MET HA 3.00 (# 60:20 Unique 2.15, 2.27 A)
&rst
ixpk= 60, nxpk= 20, iat=1932,1917, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 ASP HN 41 LEU HA 3.00 (# 61:20 Unique 2.27, 2.43 A)
&rst
ixpk= 61, nxpk= 20, iat= 669, 652, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:62 126 GLN HA 4.00 (# 62:20 Single Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1784,1956,
&end
#
# 41 LEU HA 123 MET HA 3.00 (# 63:20 Unique 1.93, 2.06 A)
&rst
ixpk= 63, nxpk= 20, iat= 652,1917, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 127 GLY HN 126 GLN HA 3.00 (# 64:20 Unique 2.19, 2.28 A)
&rst
ixpk= 64, nxpk= 20, iat=1992,1977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 113 SER HA 126 GLN HA 3.00 (# 65:20 Unique 2.03, 2.20 A)
&rst
ixpk= 65, nxpk= 20, iat=1775,1977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 123 MET HA 41 LEU HA 3.00 (# 66:20 Unique 1.93, 2.06 A)
&rst
ixpk= 66, nxpk= 20, iat=1917, 652, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 125 LEU HN 125 LEU HA 5.00 (# 68:20 Unique 2.96, 3.02 A)
&rst
ixpk= 68, nxpk= 20, iat=1956,1958, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 ILE HN 39 LEU HA 3.00 (# 69:20 Unique 2.29, 2.34 A)
&rst
ixpk= 69, nxpk= 20, iat= 631, 614, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 126 GLN HN 125 LEU HA 3.00 (# 70:20 Unique 1.86, 1.98 A)
&rst
ixpk= 70, nxpk= 20, iat=1975,1958, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 ILE HN 44 ASN HA 3.00 (# 71:20 Unique 1.91, 2.03 A)
&rst
ixpk= 71, nxpk= 20, iat= 711, 699, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 ASP HN 11 ASP HA 4.00 (# 72:20 Unique 2.94, 2.98 A)
&rst
ixpk= 72, nxpk= 20, iat= 162, 164, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 LYS HA 11 ASP HA 3.00 (# 73:20 Unique 1.93, 2.15 A)
&rst
ixpk= 73, nxpk= 20, iat= 869, 164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 VAL HN 11 ASP HA 3.00 (# 74:20 Unique 2.07, 2.17 A)
&rst
ixpk= 74, nxpk= 20, iat= 174, 164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:78 40 ILE HA 3.00 (# 78:20 Single Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 641, 642, 635,
&end
#
# 0 AMB 20-2:79 40 ILE HA 5.00 (# 79:20 Single Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1936,1937, 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:80 40 ILE HA 3.00 (# 80:20 Single Ambig)
&rst
ixpk= 80, nxpk= 20, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 644, 645, 646, 637, 638, 639,
&end
#
# 142 TYR HB+ 142 TYR HA 3.00 (# 84:20 Unique 2.32, 2.79 A)
&rst
ixpk= 84, nxpk= 20, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2210,2211,
&end
#
# 97 TYR HB- 97 TYR HA 3.00 (# 85:20 Unique 2.34, 2.74 A)
&rst
ixpk= 85, nxpk= 20, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1533,1534,
&end
#
# 97 TYR HB+ 97 TYR HA 3.00 (# 86:20 Unique 2.34, 2.74 A)
&rst
ixpk= 86, nxpk= 20, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1533,1534,
&end
#
# 56 PHE HB+ 56 PHE HA 4.00 (# 89:20 Unique 2.35, 2.83 A)
&rst
ixpk= 89, nxpk= 20, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 893, 894,
&end
#
# 30 CYS HB+ 30 CYS HA 3.00 (# 91:20 Unique 2.20, 2.62 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 482, 483,
&end
#
# 0 AMB 20-2:92 0 AMB 20-1:92 4.00 (# 92:20 Double Ambig)
&rst
ixpk= 92, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 194, 195,2308,2309, 913, 914, 493, 494,
igr2= 480, 891,
&end
#
# 0 AMB 20-2:93 0 AMB 20-1:93 4.00 (# 93:20 Double Ambig)
&rst
ixpk= 93, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2311,2312, 871, 872, 146, 147,
igr2= 891, 480,
&end
#
# 13 LYS HG+ 30 CYS HA 3.00 (# 94:20 Unique 2.14, 3.15 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 197, 198,
&end
#
# 0 AMB 20-2:95 0 AMB 20-1:95 4.00 (# 95:20 Double Ambig)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 180, 181, 182, 184, 185, 186,2333,2335,2336,2337,
2339,2340,2341,
igr2= 480, 891,
&end
#
# 93 TYR HB+ 93 TYR HA 5.00 (# 96:20 Unique 2.28, 2.71 A)
&rst
ixpk= 96, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1467,1468,
&end
#
# 12 VAL HA 30 CYS HA 4.00 (# 97:20 Unique 1.96, 2.07 A)
&rst
ixpk= 97, nxpk= 20, iat= 176, 480, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 117 SER HB+ 117 SER HA 3.00 (# 98:20 Unique 2.20, 2.48 A)
&rst
ixpk= 98, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1835,1836,
&end
#
# 122 LEU HB- 117 SER HA 5.00 (# 99:20 Unique 2.10, 4.12 A)
&rst
ixpk= 99, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1900,1901,
&end
#
# 0 AMB 20-2:101 0 AMB 20-1:101 3.00 (# 101:20 Double Ambig)
&rst
ixpk= 101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 958, 959, 960, 962, 963, 964,1905,1906,1907,1909,
1910,1911,
igr2= 98,1833,
&end
#
# 7 GLU HG- 7 GLU HA 3.00 (# 105:20 Unique 2.42, 2.87 A)
&rst
ixpk= 105, nxpk= 20, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 103, 104,
&end
#
# 7 GLU HB- 7 GLU HA 3.00 (# 106:20 Unique 2.40, 2.78 A)
&rst
ixpk= 106, nxpk= 20, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 100, 101,
&end
#
# 0 AMB 20-2:107 0 AMB 20-1:107 3.00 (# 107:20 Double Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 958, 959, 960, 962, 963, 964,1905,1906,1907,1909,
1910,1911,
igr2= 98,1833,
&end
#
# 0 AMB 20-2:112 31 GLU HA 3.00 (# 112:20 Single Ambig)
&rst
ixpk= 112, nxpk= 20, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 493, 494, 496, 497,
&end
#
# 0 AMB 20-2:113 31 GLU HA 3.00 (# 113:20 Single Ambig)
&rst
ixpk= 113, nxpk= 20, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 493, 494, 590, 591,
&end
#
# 11 ASP HB+ 55 LYS HA 6.00 (# 115:20 Unique 2.95, 4.32 A)
&rst
ixpk= 115, nxpk= 20, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 166, 167,
&end
#
# 55 LYS HB+ 55 LYS HA 3.00 (# 116:20 Unique 2.41, 2.76 A)
&rst
ixpk= 116, nxpk= 20, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 871, 872,
&end
#
# 0 AMB 20-2:117 55 LYS HA 4.00 (# 117:20 Single Ambig)
&rst
ixpk= 117, nxpk= 20, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 874, 875, 874, 875,
&end
#
# 31 GLU HG- 31 GLU HA 4.00 (# 118:20 Unique 2.48, 3.10 A)
&rst
ixpk= 118, nxpk= 20, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 496, 497,
&end
#
# 38 ASP HB+ 38 ASP HA 3.00 (# 119:20 Unique 2.31, 2.74 A)
&rst
ixpk= 119, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 604, 605,
&end
#
# 38 ASP HB- 38 ASP HA 3.00 (# 120:20 Unique 2.31, 2.74 A)
&rst
ixpk= 120, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 604, 605,
&end
#
# 0 AMB 20-2:121 58 LEU HA 3.00 (# 121:20 Single Ambig)
&rst
ixpk= 121, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 937, 938, 940,
&end
#
# 40 ILE QD1 29 HIS HA 4.00 (# 124:20 Unique 2.18, 3.95 A)
&rst
ixpk= 124, nxpk= 20, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 644, 645, 646,
&end
#
# 123 MET HB- 123 MET HA 4.00 (# 126:20 Unique 2.35, 2.70 A)
&rst
ixpk= 126, nxpk= 20, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1919,1920,
&end
#
# 29 HIS HB+ 29 HIS HA 5.00 (# 127:20 Unique 2.16, 2.73 A)
&rst
ixpk= 127, nxpk= 20, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 465, 466,
&end
#
# 0 AMB 20-2:128 29 HIS HA 5.00 (# 128:20 Single Ambig)
&rst
ixpk= 128, nxpk= 20, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 616, 617, 446, 447, 197, 198,
&end
#
# 0 AMB 20-2:130 55 LYS HA 5.00 (# 130:20 Single Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 859, 860, 496, 497,
&end
#
# 0 AMB 20-2:132 123 MET HA 4.00 (# 132:20 Single Ambig)
&rst
ixpk= 132, nxpk= 20, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1905,1906,1907,1909,1910,1911, 637, 638, 639,
&end
#
# 126 GLN HB- 126 GLN HA 4.00 (# 134:20 Unique 2.28, 2.74 A)
&rst
ixpk= 134, nxpk= 20, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1979,1980,
&end
#
# 0 AMB 20-2:135 126 GLN HA 6.00 (# 135:20 Single Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1960,1961,1758,1759,
&end
#
# 132 LEU MDY 126 GLN HA 5.00 (# 137:20 Unique 2.88, 7.05 A)
&rst
ixpk= 137, nxpk= 20, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 126 GLN HB+ 126 GLN HA 4.00 (# 138:20 Unique 2.28, 2.74 A)
&rst
ixpk= 138, nxpk= 20, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1979,1980,
&end
#
# 39 LEU HB+ 39 LEU HA 5.00 (# 140:20 Unique 2.36, 2.80 A)
&rst
ixpk= 140, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 616, 617,
&end
#
# 39 LEU HG 39 LEU HA 5.00 (# 144:20 Unique 2.21, 2.40 A)
&rst
ixpk= 144, nxpk= 20, iat= 619, 614, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 ASP HB+ 11 ASP HA 3.00 (# 145:20 Unique 2.47, 2.78 A)
&rst
ixpk= 145, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 166, 167,
&end
#
# 12 VAL MGY 11 ASP HA 5.00 (# 146:20 Unique 4.18, 5.87 A)
&rst
ixpk= 146, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 111 ARG HG+ 110 THR HB 5.00 (# 157:20 Unique 3.30, 4.11 A)
&rst
ixpk= 157, nxpk= 20, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1737,1738,
&end
#
# 69 THR HG1 69 THR HB 3.00 (# 160:20 Unique 1.98, 2.20 A)
&rst
ixpk= 160, nxpk= 20, iat=1106,1100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 LEU HG 69 THR HB 4.00 (# 161:20 Unique 2.05, 2.93 A)
&rst
ixpk= 161, nxpk= 20, iat=1117,1100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:162 110 THR HB 5.00 (# 162:20 Single Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1737,1738,1710,1711,1712,
&end
#
# 110 THR MG2 110 THR HB 3.00 (# 163:20 Unique 2.42, 2.67 A)
&rst
ixpk= 163, nxpk= 20, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1722,1723,1724,
&end
#
# 26 SER HA 26 SER HB- 3.00 (# 164:20 Unique 2.25, 2.71 A)
&rst
ixpk= 164, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 411, 412,
&end
#
# 45 ILE QG2 26 SER HB- 3.00 (# 165:20 Unique 2.11, 4.06 A)
&rst
ixpk= 165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 717, 718, 719,
igr2= 411, 412,
&end
#
# 28 LEU MDX 26 SER HB- 4.00 (# 166:20 Unique 2.54, 5.42 A)
&rst
ixpk= 166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 451, 452, 453, 455, 456, 457,
igr2= 411, 412,
&end
#
# 26 SER HA 26 SER HB+ 3.00 (# 167:20 Unique 2.25, 2.71 A)
&rst
ixpk= 167, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 411, 412,
&end
#
# 0 AMB 20-2:168 0 AMB 20-1:168 5.00 (# 168:20 Double Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 226, 444,
igr2= 411, 412, 411, 412,
&end
#
# 45 ILE QG2 26 SER HB+ 3.00 (# 170:20 Unique 2.11, 4.06 A)
&rst
ixpk= 170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 717, 718, 719,
igr2= 411, 412,
&end
#
# 0 AMB 20-2:171 0 AMB 20-1:171 3.00 (# 171:20 Double Ambig)
&rst
ixpk= 171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 724, 725, 726, 230, 231, 232,
igr2= 411, 412, 411, 412,
&end
#
# 28 LEU MDX 26 SER HB+ 4.00 (# 172:20 Unique 2.54, 5.42 A)
&rst
ixpk= 172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 451, 452, 453, 455, 456, 457,
igr2= 411, 412,
&end
#
# 0 AMB 20-2:174 26 SER HB- 3.00 (# 174:20 Single Ambig)
&rst
ixpk= 174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 724, 725, 726, 230, 231, 232,
igr2= 411, 412,
&end
#
# 137 VAL HB 137 VAL HA 4.00 (# 177:20 Unique 2.31, 2.60 A)
&rst
ixpk= 177, nxpk= 20, iat=2131,2129, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:178 137 VAL HA 3.00 (# 178:20 Single Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1519,1520,1521,1523,1524,1525,2133,2134,2135,2137,
2138,2139,2133,2134,2135,2137,2138,2139,
&end
#
# 113 SER HA 113 SER HB- 4.00 (# 181:20 Unique 2.19, 2.66 A)
&rst
ixpk= 181, nxpk= 20, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1777,1778,
&end
#
# 0 AMB 20-2:183 0 AMB 20-1:183 4.00 (# 183:20 Double Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1364,1365,1979,1980,
igr2=1304,1305,1777,1778,
&end
#
# 138 ASP HA 137 VAL HA 5.00 (# 184:20 Unique 4.27, 4.46 A)
&rst
ixpk= 184, nxpk= 20, iat=2145,2129, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 SER HA 113 SER HB+ 3.00 (# 185:20 Unique 2.19, 2.66 A)
&rst
ixpk= 185, nxpk= 20, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1777,1778,
&end
#
# 111 ARG HB+ 113 SER HB- 6.00 (# 189:20 Preassigned 4.59, 6.18 A)
&rst
ixpk= 189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1734,1735,
igr2=1777,1778,
&end
#
# 132 LEU MDY 113 SER HB- 5.00 (# 191:20 Unique 4.91, 8.06 A)
&rst
ixpk= 191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2058,2059,2060,2062,2063,2064,
igr2=1777,1778,
&end
#
# 0 AMB 20-2:192 113 SER HB- 6.00 (# 192:20 Single Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1963,2056,
igr2=1777,1778,
&end
#
# 116 VAL MGX 117 SER HB+ 5.00 (# 193:20 Unique 5.18, 7.14 A)
&rst
ixpk= 193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1821,1822,1823,1825,1826,1827,
igr2=1835,1836,
&end
#
# 122 LEU MDX 117 SER HB+ 3.00 (# 194:20 Unique 3.17, 6.07 A)
&rst
ixpk= 194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1905,1906,1907,1909,1910,1911,
igr2=1835,1836,
&end
#
# 96 VAL MGY 139 SER HB- 4.00 (# 195:20 Unique 2.16, 7.12 A)
&rst
ixpk= 195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1519,1520,1521,1523,1524,1525,
igr2=2159,2160,
&end
#
# 96 VAL MGX 139 SER HB+ 4.00 (# 196:20 Unique 2.16, 7.12 A)
&rst
ixpk= 196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1519,1520,1521,1523,1524,1525,
igr2=2159,2160,
&end
#
# 0 AMB 20-2:199 139 SER HB- 5.00 (# 199:20 Single Ambig)
&rst
ixpk= 199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2116,2117,2170,2171,
igr2=2159,2160,
&end
#
# 0 AMB 20-2:200 139 SER HB- 4.00 (# 200:20 Single Ambig)
&rst
ixpk= 200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
igr2=2159,2160,
&end
#
# 0 AMB 20-2:201 0 AMB 20-1:201 4.00 (# 201:20 Double Ambig)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2116,2117,2170,2171,
igr2=2159,2160,2159,2160,
&end
#
# 12 VAL MGY 12 VAL HA 3.00 (# 204:20 Unique 2.35, 3.19 A)
&rst
ixpk= 204, nxpk= 20, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 13 LYS HG+ 12 VAL HA 4.00 (# 207:20 Unique 3.37, 4.50 A)
&rst
ixpk= 207, nxpk= 20, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 197, 198,
&end
#
# 12 VAL MGX 12 VAL HA 4.00 (# 208:20 Unique 2.35, 3.19 A)
&rst
ixpk= 208, nxpk= 20, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 96 VAL MGX 139 SER HB- 4.00 (# 211:20 Unique 2.16, 7.12 A)
&rst
ixpk= 211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1519,1520,1521,1523,1524,1525,
igr2=2159,2160,
&end
#
# 139 SER HA 139 SER HB+ 3.00 (# 213:20 Unique 2.20, 2.63 A)
&rst
ixpk= 213, nxpk= 20, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2159,2160,
&end
#
# 17 PRO HB- 17 PRO HA 3.00 (# 216:20 Unique 2.27, 2.66 A)
&rst
ixpk= 216, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 262, 263,
&end
#
# 0 AMB 20-2:219 0 AMB 20-1:219 3.00 (# 219:20 Double Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2157,1658,
igr2=2159,2160,1660,1661,
&end
#
# 105 SER HA 105 SER HB+ 3.00 (# 221:20 Unique 2.36, 2.71 A)
&rst
ixpk= 221, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1660,1661,
&end
#
# 104 THR MG2 105 SER HB+ 5.00 (# 222:20 Unique 2.63, 6.33 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1648,1649,1650,
igr2=1660,1661,
&end
#
# 77 PRO HB+ 77 PRO HA 3.00 (# 223:20 Unique 2.28, 2.62 A)
&rst
ixpk= 223, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1217,1218,
&end
#
# 0 AMB 20-2:224 77 PRO HA 3.00 (# 224:20 Single Ambig)
&rst
ixpk= 224, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1217,1218,1214,1215,
&end
#
# 104 THR MG2 105 SER HB- 5.00 (# 225:20 Unique 2.63, 6.33 A)
&rst
ixpk= 225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1648,1649,1650,
igr2=1660,1661,
&end
#
# 0 AMB 20-2:226 77 PRO HA 4.00 (# 226:20 Single Ambig)
&rst
ixpk= 226, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1211,1212,1287,1288,
&end
#
# 0 AMB 20-2:227 77 PRO HA 4.00 (# 227:20 Single Ambig)
&rst
ixpk= 227, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1211,1212,1287,1288,
&end
#
# 82 PRO HB+ 82 PRO HA 3.00 (# 234:20 Unique 2.30, 2.62 A)
&rst
ixpk= 234, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1293,1294,
&end
#
# 82 PRO HB- 82 PRO HA 3.00 (# 235:20 Unique 2.30, 2.62 A)
&rst
ixpk= 235, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1293,1294,
&end
#
# 8 ASP HA 34 SER HB- 6.00 (# 238:20 Unique 2.20, 4.67 A)
&rst
ixpk= 238, nxpk= 20, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 534, 535,
&end
#
# 0 AMB 20-2:239 69 THR HA 5.00 (# 239:20 Single Ambig)
&rst
ixpk= 239, nxpk= 20, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1117,1114,1115,
&end
#
# 34 SER HA 34 SER HB+ 3.00 (# 240:20 Unique 2.20, 2.70 A)
&rst
ixpk= 240, nxpk= 20, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 534, 535,
&end
#
# 34 SER HA 34 SER HB- 3.00 (# 241:20 Unique 2.20, 2.70 A)
&rst
ixpk= 241, nxpk= 20, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 534, 535,
&end
#
# 0 AMB 20-2:244 69 THR HA 3.00 (# 244:20 Single Ambig)
&rst
ixpk= 244, nxpk= 20, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1014,1015,1016,1106,
&end
#
# 0 AMB 20-2:246 0 AMB 20-1:246 5.00 (# 246:20 Double Ambig)
&rst
ixpk= 246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1700,1701,1702, 991, 992, 993,1710,1711,1712,
igr2=1718,1010,
&end
#
# 0 AMB 20-2:248 0 AMB 20-1:248 3.00 (# 248:20 Double Ambig)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1673,1674,1675,1722,1723,1724,1648,1649,1650,
igr2=1669,1718,
&end
#
# 116 VAL MGX 96 VAL HA 4.00 (# 249:20 Unique 2.09, 3.83 A)
&rst
ixpk= 249, nxpk= 20, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1821,1822,1823,1825,1826,1827,
&end
#
# 116 VAL HA 96 VAL HA 3.00 (# 250:20 Unique 2.02, 2.19 A)
&rst
ixpk= 250, nxpk= 20, iat=1817,1515, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 VAL MGY 96 VAL HA 3.00 (# 251:20 Unique 2.30, 3.19 A)
&rst
ixpk= 251, nxpk= 20, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 0 AMB 20-2:252 96 VAL HA 3.00 (# 252:20 Single Ambig)
&rst
ixpk= 252, nxpk= 20, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1821,1822,1823,1825,1826,1827,1519,1520,1521,1523,
1524,1525,
&end
#
# 47 ILE HG1- 47 ILE HA 3.00 (# 253:20 Unique 2.76, 3.16 A)
&rst
ixpk= 253, nxpk= 20, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 757, 758,
&end
#
# 47 ILE HB 47 ILE HA 3.00 (# 257:20 Unique 2.98, 3.01 A)
&rst
ixpk= 257, nxpk= 20, iat= 751, 749, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 ILE HG1+ 47 ILE HA 3.00 (# 258:20 Unique 2.76, 3.16 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 757, 758,
&end
#
# 47 ILE QG2 47 ILE HA 3.00 (# 259:20 Unique 2.39, 3.03 A)
&rst
ixpk= 259, nxpk= 20, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 753, 754, 755,
&end
#
# 104 THR MG2 104 THR HA 4.00 (# 263:20 Unique 2.18, 3.69 A)
&rst
ixpk= 263, nxpk= 20, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1648,1649,1650,
&end
#
# 0 AMB 20-2:264 0 AMB 20-1:264 3.00 (# 264:20 Double Ambig)
&rst
ixpk= 264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1230,1231,1232,1673,1674,1675,
igr2=1226,1669,
&end
#
# 104 THR HB 104 THR HA 3.00 (# 265:20 Unique 2.36, 2.53 A)
&rst
ixpk= 265, nxpk= 20, iat=1646,1644, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 SER HB+ 34 SER HA 3.00 (# 267:20 Unique 2.20, 2.70 A)
&rst
ixpk= 267, nxpk= 20, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 534, 535,
&end
#
# 34 SER HB- 34 SER HA 3.00 (# 268:20 Unique 2.20, 2.70 A)
&rst
ixpk= 268, nxpk= 20, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 534, 535,
&end
#
# 45 ILE QG2 45 ILE HA 3.00 (# 269:20 Unique 2.23, 3.10 A)
&rst
ixpk= 269, nxpk= 20, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 717, 718, 719,
&end
#
# 0 AMB 20-2:272 45 ILE HA 4.00 (# 272:20 Single Ambig)
&rst
ixpk= 272, nxpk= 20, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 724, 725, 726, 230, 231, 232,
&end
#
# 31 GLU HG- 33 GLU HA 4.00 (# 281:20 Unique 2.47, 3.59 A)
&rst
ixpk= 281, nxpk= 20, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 496, 497,
&end
#
# 33 GLU HG- 33 GLU HA 3.00 (# 282:20 Unique 2.32, 2.78 A)
&rst
ixpk= 282, nxpk= 20, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 522, 523,
&end
#
# 0 AMB 20-2:283 33 GLU HA 3.00 (# 283:20 Single Ambig)
&rst
ixpk= 283, nxpk= 20, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 519, 520, 496, 497,
&end
#
# 33 GLU HB- 33 GLU HA 3.00 (# 284:20 Unique 2.34, 2.73 A)
&rst
ixpk= 284, nxpk= 20, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 519, 520,
&end
#
# 6 PHE HB+ 6 PHE HA 5.00 (# 285:20 Unique 2.40, 2.76 A)
&rst
ixpk= 285, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 80, 81,
&end
#
# 105 SER HB- 105 SER HA 3.00 (# 288:20 Unique 2.36, 2.71 A)
&rst
ixpk= 288, nxpk= 20, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1660,1661,
&end
#
# 0 AMB 20-2:289 105 SER HA 5.00 (# 289:20 Single Ambig)
&rst
ixpk= 289, nxpk= 20, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1648,1649,1650,1673,1674,1675,
&end
#
# 149 ALA MB 150 PHE HA 5.00 (# 290:20 Unique 4.36, 5.37 A)
&rst
ixpk= 290, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2349,2350,2351,
&end
#
# 150 PHE HB+ 150 PHE HA 3.00 (# 291:20 Unique 2.43, 2.76 A)
&rst
ixpk= 291, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2359,2360,
&end
#
# 150 PHE HB- 150 PHE HA 3.00 (# 293:20 Unique 2.43, 2.76 A)
&rst
ixpk= 293, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2359,2360,
&end
#
# 135 PHE HB- 135 PHE HA 5.00 (# 294:20 Unique 2.41, 2.77 A)
&rst
ixpk= 294, nxpk= 20, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2096,2097,
&end
#
# 0 AMB 20-2:295 135 PHE HA 3.00 (# 295:20 Single Ambig)
&rst
ixpk= 295, nxpk= 20, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
&end
#
# 147 LYS HG- 147 LYS HA 5.00 (# 297:20 Unique 2.17, 3.73 A)
&rst
ixpk= 297, nxpk= 20, iat= -1,2306, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2311,2312,
&end
#
# 88 PHE HB+ 88 PHE HA 4.00 (# 298:20 Unique 2.27, 2.65 A)
&rst
ixpk= 298, nxpk= 20, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1378,1379,
&end
#
# 46 GLN HG+ 46 GLN HA 4.00 (# 301:20 Unique 3.60, 3.78 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 737, 738,
&end
#
# 0 AMB 20-2:302 0 AMB 20-1:302 3.00 (# 302:20 Double Ambig)
&rst
ixpk= 302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1179,1180,2295,2296,
igr2=1177,1376,
&end
#
# 46 GLN HB- 46 GLN HA 3.00 (# 303:20 Unique 2.29, 2.48 A)
&rst
ixpk= 303, nxpk= 20, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 734, 735,
&end
#
# 134 GLY HA+ 133 HIS HA 6.00 (# 304:20 Unique 4.24, 4.71 A)
&rst
ixpk= 304, nxpk= 20, iat= -1,2070, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2087,2088,
&end
#
# 133 HIS HB- 133 HIS HA 3.00 (# 307:20 Unique 2.50, 2.82 A)
&rst
ixpk= 307, nxpk= 20, iat= -1,2070, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2072,2073,
&end
#
# 138 ASP HB+ 138 ASP HA 3.00 (# 310:20 Unique 2.43, 2.77 A)
&rst
ixpk= 310, nxpk= 20, iat= -1,2145, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2147,2148,
&end
#
# 66 GLU HG- 66 GLU HA 4.00 (# 312:20 Unique 2.13, 3.24 A)
&rst
ixpk= 312, nxpk= 20, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1069,1070,
&end
#
# 66 GLU HB+ 66 GLU HA 3.00 (# 313:20 Unique 2.17, 2.57 A)
&rst
ixpk= 313, nxpk= 20, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1066,1067,
&end
#
# 137 VAL HA 138 ASP HA 5.00 (# 315:20 Unique 4.27, 4.46 A)
&rst
ixpk= 315, nxpk= 20, iat=2129,2145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 ASP HB- 138 ASP HA 3.00 (# 316:20 Unique 2.43, 2.77 A)
&rst
ixpk= 316, nxpk= 20, iat= -1,2145, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2147,2148,
&end
#
# 98 ARG HB+ 98 ARG HA 4.00 (# 319:20 Unique 2.29, 2.60 A)
&rst
ixpk= 319, nxpk= 20, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1554,1555,
&end
#
# 104 THR MG2 103 GLU HA 6.00 (# 320:20 Preassigned 4.23, 5.88 A)
&rst
ixpk= 320, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
&end
#
# 96 VAL MGX 138 ASP HA 6.00 (# 321:20 Unique 2.31, 5.06 A)
&rst
ixpk= 321, nxpk= 20, iat= -1,2145, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 45 ILE QD1 24 ARG HA 3.00 (# 322:20 Unique 1.99, 2.63 A)
&rst
ixpk= 322, nxpk= 20, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 724, 725, 726,
&end
#
# 0 AMB 20-2:325 0 AMB 20-1:325 3.00 (# 325:20 Double Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1688,1689, 276, 277,1634,1635,
igr2=1683, 271,1629,
&end
#
# 0 AMB 20-2:326 0 AMB 20-1:326 3.00 (# 326:20 Double Ambig)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 273, 274,1685,1686,
igr2= 271,1683,
&end
#
# 0 AMB 20-2:327 0 AMB 20-1:327 3.00 (# 327:20 Double Ambig)
&rst
ixpk= 327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 273, 274,1685,1686,
igr2= 271,1683,
&end
#
# 108 ALA MB 107 GLU HA 5.00 (# 328:20 Preassigned 4.36, 5.49 A)
&rst
ixpk= 328, nxpk= 20, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1700,1701,1702,
&end
#
# 0 AMB 20-2:329 20 LYS HA 3.00 (# 329:20 Single Ambig)
&rst
ixpk= 329, nxpk= 20, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 298, 299, 295, 296,
&end
#
# 0 AMB 20-2:331 0 AMB 20-1:331 5.00 (# 331:20 Double Ambig)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 543, 337,
igr2= 563, 315,
&end
#
# 0 AMB 20-2:332 21 LYS HA 3.00 (# 332:20 Single Ambig)
&rst
ixpk= 332, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 317, 318, 323, 324,
&end
#
# 0 AMB 20-2:333 0 AMB 20-1:333 5.00 (# 333:20 Double Ambig)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 377, 378, 377, 378,1740,1741,
igr2= 369, 563,
&end
#
# 20 LYS HD+ 20 LYS HA 4.00 (# 336:20 Unique 2.16, 3.12 A)
&rst
ixpk= 336, nxpk= 20, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 301, 302,
&end
#
# 0 AMB 20-2:338 0 AMB 20-1:338 3.00 (# 338:20 Double Ambig)
&rst
ixpk= 338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 371, 372, 565, 566,
igr2= 369, 563,
&end
#
# 21 LYS HG+ 21 LYS HA 3.00 (# 339:20 Unique 2.28, 3.18 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 320, 321,
&end
#
# 36 LYS HG+ 36 LYS HA 4.00 (# 340:20 Unique 2.39, 3.01 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 568, 569,
&end
#
# 13 LYS HB+ 13 LYS HA 3.00 (# 341:20 Unique 2.30, 2.69 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 194, 195,
&end
#
# 13 LYS HD+ 13 LYS HA 3.00 (# 342:20 Unique 2.23, 3.30 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 200, 201,
&end
#
# 21 LYS HE- 20 LYS HA 6.00 (# 343:20 Unique 5.87, 6.86 A)
&rst
ixpk= 343, nxpk= 20, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 326, 327,
&end
#
# 74 GLU HG- 74 GLU HA 4.00 (# 344:20 Unique 2.36, 2.90 A)
&rst
ixpk= 344, nxpk= 20, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1167,1168,
&end
#
# 13 LYS HB+ 13 LYS HA 3.00 (# 347:20 Unique 2.30, 2.69 A)
&rst
ixpk= 347, nxpk= 20, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 194, 195,
&end
#
# 20 LYS HD- 23 ASP HA 5.00 (# 348:20 Unique 2.24, 6.23 A)
&rst
ixpk= 348, nxpk= 20, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 301, 302,
&end
#
# 74 GLU HB+ 74 GLU HA 3.00 (# 350:20 Unique 2.46, 2.79 A)
&rst
ixpk= 350, nxpk= 20, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1164,1165,
&end
#
# 87 GLN HG+ 87 GLN HA 3.00 (# 351:20 Unique 2.44, 3.19 A)
&rst
ixpk= 351, nxpk= 20, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1364,1365,
&end
#
# 0 AMB 20-2:352 128 ASP HA 5.00 (# 352:20 Single Ambig)
&rst
ixpk= 352, nxpk= 20, iat= -1,2001, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=2015,2016,2017,2053,2054,
&end
#
# 0 AMB 20-2:354 130 ASN HA 3.00 (# 354:20 Single Ambig)
&rst
ixpk= 354, nxpk= 20, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2025,2026,2025,2026,
&end
#
# 0 AMB 20-2:355 130 ASN HA 5.00 (# 355:20 Single Ambig)
&rst
ixpk= 355, nxpk= 20, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=2015,2016,2017,2053,2054,
&end
#
# 0 AMB 20-2:356 0 AMB 20-1:356 3.00 (# 356:20 Double Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 359, 360,2003,2004,
igr2= 357,2001,
&end
#
# 129 ALA MB 129 ALA HA 3.00 (# 361:20 Preassigned 2.44, 2.66 A)
&rst
ixpk= 361, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2015,2016,2017,
&end
#
# 0 AMB 20-2:362 129 ALA HA 3.00 (# 362:20 Single Ambig)
&rst
ixpk= 362, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
&end
#
# 132 LEU MDY 129 ALA HA 4.00 (# 363:20 Unique 3.16, 6.34 A)
&rst
ixpk= 363, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:364 70 LEU HA 3.00 (# 364:20 Single Ambig)
&rst
ixpk= 364, nxpk= 20, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1114,1115,1117,
&end
#
# 70 LEU MDY 70 LEU HA 4.00 (# 365:20 Preassigned 2.14, 4.45 A)
&rst
ixpk= 365, nxpk= 20, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1119,1120,1121,1123,1124,1125,
&end
#
# 136 GLU HB+ 136 GLU HA 3.00 (# 367:20 Preassigned 2.41, 2.71 A)
&rst
ixpk= 367, nxpk= 20, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2116,2117,
&end
#
# 85 ALA MB 85 ALA HA 3.00 (# 368:20 Unique 2.35, 2.67 A)
&rst
ixpk= 368, nxpk= 20, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1339,1340,1341,
&end
#
# 136 GLU HG+ 136 GLU HA 4.00 (# 370:20 Preassigned 2.42, 3.25 A)
&rst
ixpk= 370, nxpk= 20, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2119,2120,
&end
#
# 136 GLU HB- 136 GLU HA 3.00 (# 371:20 Preassigned 2.41, 2.71 A)
&rst
ixpk= 371, nxpk= 20, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2116,2117,
&end
#
# 148 LEU HB+ 148 LEU HA 3.00 (# 377:20 Unique 2.23, 2.46 A)
&rst
ixpk= 377, nxpk= 20, iat= -1,2328, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2330,2331,
&end
#
# 148 LEU MDX 148 LEU HA 4.00 (# 378:20 Unique 2.20, 4.70 A)
&rst
ixpk= 378, nxpk= 20, iat= -1,2328, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2335,2336,2337,2339,2340,2341,
&end
#
# 67 ASP HB- 67 ASP HA 3.00 (# 379:20 Unique 2.43, 2.78 A)
&rst
ixpk= 379, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1081,1082,
&end
#
# 83 SER HB+ 80 ASP HA 3.00 (# 380:20 Unique 2.01, 3.64 A)
&rst
ixpk= 380, nxpk= 20, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1304,1305,
&end
#
# 0 AMB 20-2:382 0 AMB 20-1:382 4.00 (# 382:20 Double Ambig)
&rst
ixpk= 382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 871, 872,1269,1270,2311,2312,
igr2=2328,1252,
&end
#
# 104 THR MG2 109 ALA HA 4.00 (# 385:20 Unique 2.29, 4.61 A)
&rst
ixpk= 385, nxpk= 20, iat= -1,1708, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1648,1649,1650,
&end
#
# 108 ALA MB 108 ALA HA 3.00 (# 386:20 Unique 2.29, 2.65 A)
&rst
ixpk= 386, nxpk= 20, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1700,1701,1702,
&end
#
# 0 AMB 20-2:387 149 ALA HA 5.00 (# 387:20 Single Ambig)
&rst
ixpk= 387, nxpk= 20, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2311,2312,2292,2293,2314,2315,
&end
#
# 149 ALA MB 149 ALA HA 3.00 (# 388:20 Unique 2.38, 2.66 A)
&rst
ixpk= 388, nxpk= 20, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2349,2350,2351,
&end
#
# 2 ALA MB 2 ALA HA 3.00 (# 390:20 Unique 2.37, 2.66 A)
&rst
ixpk= 390, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 25, 26, 27,
&end
#
# 76 ASN HB- 77 PRO HD+ 4.00 (# 398:20 Unique 2.25, 4.05 A)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1200,1201,
igr2=1211,1212,
&end
#
# 0 AMB 20-2:399 0 AMB 20-1:399 3.00 (# 399:20 Double Ambig)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 276, 277, 262, 263,1293,1294,1217,1218,
igr2= 256, 257, 256, 257,1287,1288,1211,1212,
&end
#
# 16 ASP HA 17 PRO HD+ 3.00 (# 400:20 Unique 2.01, 2.44 A)
&rst
ixpk= 400, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 256, 257,
&end
#
# 0 AMB 20-2:404 0 AMB 20-1:404 3.00 (# 404:20 Double Ambig)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1290,1291,1214,1215,1214,1215, 259, 260,
igr2=1287,1288,1211,1212,1211,1212, 256, 257,
&end
#
# 0 AMB 20-2:405 0 AMB 20-1:405 5.00 (# 405:20 Double Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1226,1228,
igr2=1287,1288,1287,1288,
&end
#
# 76 ASN HB+ 77 PRO HD+ 4.00 (# 407:20 Unique 2.25, 4.05 A)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1200,1201,
igr2=1211,1212,
&end
#
# 16 ASP HA 17 PRO HD- 3.00 (# 411:20 Unique 2.01, 2.44 A)
&rst
ixpk= 411, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 256, 257,
&end
#
# 76 ASN HB- 77 PRO HD- 6.00 (# 412:20 Unique 2.25, 4.05 A)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1200,1201,
igr2=1211,1212,
&end
#
# 0 AMB 20-2:413 0 AMB 20-1:413 3.00 (# 413:20 Double Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 276, 277, 262, 263,1293,1294,1217,1218,
igr2= 256, 257,1287,1288,1211,1212,
&end
#
# 0 AMB 20-2:414 82 PRO HD- 6.00 (# 414:20 Single Ambig)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1226,1228,
igr2=1287,1288,
&end
#
# 0 AMB 20-2:416 0 AMB 20-1:416 3.00 (# 416:20 Double Ambig)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1290,1291,1214,1215,1214,1215, 259, 260,
igr2=1287,1288,1211,1212, 256, 257,
&end
#
# 0 AMB 20-2:429 39 LEU HB- 4.00 (# 429:20 Single Ambig)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 619,1965,1966,1967,1969,1970,1971,
igr2= 616, 617,
&end
#
# 112 LEU HA 112 LEU HB+ 3.00 (# 430:20 Unique 2.20, 2.77 A)
&rst
ixpk= 430, nxpk= 20, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1758,1759,
&end
#
# 132 LEU MDY 112 LEU HB+ 3.00 (# 432:20 Unique 2.08, 5.30 A)
&rst
ixpk= 432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2058,2059,2060,2062,2063,2064,
igr2=1758,1759,
&end
#
# 129 ALA HA 112 LEU HB+ 4.00 (# 434:20 Unique 2.06, 3.26 A)
&rst
ixpk= 434, nxpk= 20, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1758,1759,
&end
#
# 41 LEU HA 41 LEU HB+ 5.00 (# 437:20 Unique 2.35, 2.43 A)
&rst
ixpk= 437, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 654, 655,
&end
#
# 41 LEU HG 41 LEU HB+ 4.00 (# 438:20 Unique 2.48, 2.83 A)
&rst
ixpk= 438, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 654, 655,
&end
#
# 0 AMB 20-2:442 58 LEU HB- 5.00 (# 442:20 Single Ambig)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2236,2237,2238,2240,2241,2242,2236,2237,2238,2240,
2241,2242,
igr2= 937, 938,
&end
#
# 118 TYR HA 94 GLY HA- 4.00 (# 452:20 Unique 1.91, 2.55 A)
&rst
ixpk= 452, nxpk= 20, iat=1844, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1486,1487,
&end
#
# 125 LEU HA 125 LEU HB+ 4.00 (# 453:20 Unique 2.19, 2.56 A)
&rst
ixpk= 453, nxpk= 20, iat=1958, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1960,1961,
&end
#
# 39 LEU MDX 125 LEU HB+ 3.00 (# 455:20 Unique 2.17, 5.03 A)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 621, 622, 623, 625, 626, 627,
igr2=1960,1961,
&end
#
# 0 AMB 20-2:456 0 AMB 20-1:456 4.00 (# 456:20 Double Ambig)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1965,1966,1967,1969,1970,1971, 619,
igr2=1960,1961,1960,1961,
&end
#
# 125 LEU HA 125 LEU HB- 4.00 (# 457:20 Unique 2.19, 2.56 A)
&rst
ixpk= 457, nxpk= 20, iat=1958, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1960,1961,
&end
#
# 0 AMB 20-2:465 125 LEU HB- 3.00 (# 465:20 Single Ambig)
&rst
ixpk= 465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 621, 622, 623, 625, 626, 627,1965,1966,1967,1969,
1970,1971,
igr2=1960,1961,
&end
#
# 0 AMB 20-2:466 125 LEU HB- 4.00 (# 466:20 Single Ambig)
&rst
ixpk= 466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1965,1966,1967,1969,1970,1971, 619,
igr2=1960,1961,
&end
#
# 126 GLN HB+ 38 ASP HB+ 4.00 (# 467:20 Unique 2.09, 3.85 A)
&rst
ixpk= 467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1979,1980,
igr2= 604, 605,
&end
#
# 38 ASP HA 38 ASP HB- 3.00 (# 468:20 Unique 2.31, 2.74 A)
&rst
ixpk= 468, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 604, 605,
&end
#
# 126 GLN HB+ 38 ASP HB- 4.00 (# 469:20 Unique 2.09, 3.85 A)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1979,1980,
igr2= 604, 605,
&end
#
# 0 AMB 20-2:472 0 AMB 20-1:472 5.00 (# 472:20 Double Ambig)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1737,1738,1557,1558,
igr2=1994,1995,1610,1611,
&end
#
# 0 AMB 20-2:473 0 AMB 20-1:473 5.00 (# 473:20 Double Ambig)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1133,1134,1145,1146,
igr2=1155,1156,1155,1156,
&end
#
# 0 AMB 20-2:479 0 AMB 20-1:479 5.00 (# 479:20 Double Ambig)
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1761,1557,1558,
igr2=1610,1611,1610,1611,
&end
#
# 0 AMB 20-2:483 0 AMB 20-1:483 4.00 (# 483:20 Double Ambig)
&rst
ixpk= 483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=1587,1588,1589,1763,1764,1765,1767,1768,1769,1763,
1764,1765,1767,1768,1769,
igr2=1610,1611,1610,1611,1610,1611,
&end
#
# 144 LEU HA 144 LEU HB- 3.00 (# 493:20 Unique 2.31, 2.75 A)
&rst
ixpk= 493, nxpk= 20, iat=2248, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2250,2251,
&end
#
# 122 LEU MDY 122 LEU HB+ 3.00 (# 494:20 Unique 2.22, 3.34 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1905,1906,1907,1909,1910,1911,
igr2=1900,1901,
&end
#
# 122 LEU MDX 122 LEU HB+ 3.00 (# 495:20 Unique 2.22, 3.34 A)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1905,1906,1907,1909,1910,1911,
igr2=1900,1901,
&end
#
# 122 LEU HA 122 LEU HB+ 4.00 (# 496:20 Unique 2.23, 2.68 A)
&rst
ixpk= 496, nxpk= 20, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1900,1901,
&end
#
# 122 LEU HA 122 LEU HB- 4.00 (# 498:20 Unique 2.23, 2.68 A)
&rst
ixpk= 498, nxpk= 20, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1900,1901,
&end
#
# 122 LEU MDY 122 LEU HB- 3.00 (# 500:20 Unique 2.22, 3.34 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1905,1906,1907,1909,1910,1911,
igr2=1900,1901,
&end
#
# 122 LEU MDX 122 LEU HB- 3.00 (# 501:20 Unique 2.22, 3.34 A)
&rst
ixpk= 501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1905,1906,1907,1909,1910,1911,
igr2=1900,1901,
&end
#
# 14 ASP HA 14 ASP HB- 3.00 (# 503:20 Unique 2.62, 2.87 A)
&rst
ixpk= 503, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:505 0 AMB 20-1:505 3.00 (# 505:20 Double Ambig)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 451, 452, 453, 455, 456, 457, 449,
igr2= 446, 447, 446, 447,
&end
#
# 0 AMB 20-2:508 28 LEU HB- 5.00 (# 508:20 Single Ambig)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 444, 226,
igr2= 446, 447,
&end
#
# 0 AMB 20-2:510 28 LEU HB- 3.00 (# 510:20 Single Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 451, 452, 453, 455, 456, 457, 449,
igr2= 446, 447,
&end
#
# 14 ASP HA 14 ASP HB+ 3.00 (# 511:20 Unique 2.62, 2.87 A)
&rst
ixpk= 511, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 216, 217,
&end
#
# 29 HIS HB- 14 ASP HB+ 5.00 (# 512:20 Unique 2.06, 2.68 A)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 465, 466,
igr2= 216, 217,
&end
#
# 81 ARG HA 81 ARG HD+ 5.00 (# 515:20 Unique 2.22, 4.24 A)
&rst
ixpk= 515, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1272,1273,
&end
#
# 0 AMB 20-2:516 0 AMB 20-1:516 5.00 (# 516:20 Double Ambig)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 444, 226,
igr2= 216, 217, 216, 217,
&end
#
# 29 HIS HB- 14 ASP HB- 4.00 (# 522:20 Unique 2.06, 2.68 A)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 465, 466,
igr2= 216, 217,
&end
#
# 128 ASP HA 111 ARG HD- 5.00 (# 523:20 Unique 2.26, 3.89 A)
&rst
ixpk= 523, nxpk= 20, iat=2001, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1740,1741,
&end
#
# 128 ASP HA 111 ARG HD- 5.00 (# 525:20 Unique 2.26, 3.89 A)
&rst
ixpk= 525, nxpk= 20, iat=2001, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1740,1741,
&end
#
# 0 AMB 20-2:540 0 AMB 20-1:540 5.00 (# 540:20 Double Ambig)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 737, 738, 734, 735,
igr2= 377, 378, 377, 378,
&end
#
# 24 ARG HB+ 24 ARG HD+ 3.00 (# 541:20 Unique 2.49, 3.53 A)
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 371, 372,
igr2= 377, 378,
&end
#
# 25 VAL MGX 24 ARG HD+ 4.00 (# 543:20 Unique 2.16, 5.35 A)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 397, 398, 399, 401, 402, 403,
igr2= 377, 378,
&end
#
# 0 AMB 20-2:544 0 AMB 20-1:544 3.00 (# 544:20 Double Ambig)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 425, 426, 422, 423, 371, 372,1979,1980,
igr2= 428, 429, 428, 429, 377, 378,1740,1741,
&end
#
# 0 AMB 20-2:545 0 AMB 20-1:545 4.00 (# 545:20 Double Ambig)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1732, 337,
igr2=1740,1741, 377, 378,
&end
#
# 81 ARG HA 81 ARG HD+ 4.00 (# 547:20 Unique 2.22, 4.24 A)
&rst
ixpk= 547, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1272,1273,
&end
#
# 0 AMB 20-2:548 0 AMB 20-1:548 6.00 (# 548:20 Double Ambig)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1226,1228, 989,
igr2=1272,1273,1272,1273,2176,2177,
&end
#
# 81 ARG HA 81 ARG HD- 4.00 (# 549:20 Unique 2.22, 4.24 A)
&rst
ixpk= 549, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1272,1273,
&end
#
# 0 AMB 20-2:551 14 ASP HB- 5.00 (# 551:20 Single Ambig)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 444, 226,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:553 0 AMB 20-1:553 4.00 (# 553:20 Double Ambig)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 369, 732,
igr2= 377, 378, 377, 378,
&end
#
# 0 AMB 20-2:557 0 AMB 20-1:557 5.00 (# 557:20 Double Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 369, 732, 563,
igr2= 377, 378,1740,1741,
&end
#
# 0 AMB 20-2:558 0 AMB 20-1:558 6.00 (# 558:20 Double Ambig)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1798,1799, 737, 738,1979,1980,
igr2=1560,1561, 377, 378,1740,1741,
&end
#
# 0 AMB 20-2:559 0 AMB 20-1:559 4.00 (# 559:20 Double Ambig)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 397, 398, 399, 401, 402, 403,1905,1906,1907,1909,
1910,1911,
igr2= 377, 378, 428, 429,
&end
#
# 0 AMB 20-2:560 0 AMB 20-1:560 3.00 (# 560:20 Double Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1587,1588,1589,1821,1822,1823,1825,1826,1827, 644,
645, 646, 637, 638, 639,1763,1764,1765,1767,1768,
1769,1763,1764,1765,1767,1768,1769,
igr2=1560,1561,2176,2177, 428, 429, 428, 429,1560,1561,
1560,1561,
&end
#
# 111 ARG HA 111 ARG HD+ 3.00 (# 561:20 Unique 2.17, 3.48 A)
&rst
ixpk= 561, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1740,1741,
&end
#
# 0 AMB 20-2:562 0 AMB 20-1:562 3.00 (# 562:20 Double Ambig)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1737,1738,2173,2174,
igr2=1740,1741,2176,2177,
&end
#
# 111 ARG HA 111 ARG HD+ 3.00 (# 563:20 Unique 2.17, 3.48 A)
&rst
ixpk= 563, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1740,1741,
&end
#
# 81 ARG HG+ 81 ARG HD+ 3.00 (# 564:20 Unique 2.28, 2.69 A)
&rst
ixpk= 564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1269,1270,
igr2=1272,1273,
&end
#
# 141 VAL MGY 143 LEU HB+ 5.00 (# 575:20 Unique 5.47, 8.66 A)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2196,2197,2198,2200,2201,2202,
igr2=2231,2232,
&end
#
# 140 ARG HA 140 ARG HD+ 5.00 (# 582:20 Unique 2.15, 4.46 A)
&rst
ixpk= 582, nxpk= 20, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2176,2177,
&end
#
# 148 LEU HA 148 LEU HB+ 3.00 (# 612:20 Unique 2.23, 2.46 A)
&rst
ixpk= 612, nxpk= 20, iat=2328, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2330,2331,
&end
#
# 74 GLU HB+ 70 LEU HB+ 6.00 (# 632:20 Unique 2.92, 7.30 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1164,1165,
igr2=1114,1115,
&end
#
# 0 AMB 20-2:633 0 AMB 20-1:633 4.00 (# 633:20 Double Ambig)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 871, 872, 133, 134,
igr2=2330,2331,2330,2331,
&end
#
# 0 AMB 20-2:634 0 AMB 20-1:634 5.00 (# 634:20 Double Ambig)
&rst
ixpk= 634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1965,1966,1967,1969,1970,1971, 129, 130, 131,
igr2=2053,2054,2330,2331,
&end
#
# 0 AMB 20-2:635 0 AMB 20-1:635 3.00 (# 635:20 Double Ambig)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2335,2336,2337,2339,2340,2341,2333,
igr2=2330,2331,2330,2331,
&end
#
# 132 LEU MDX 132 LEU HB+ 4.00 (# 636:20 Unique 2.20, 3.40 A)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2058,2059,2060,2062,2063,2064,
igr2=2053,2054,
&end
#
# 0 AMB 20-2:638 132 LEU HB- 4.00 (# 638:20 Single Ambig)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2056,1963,
igr2=2053,2054,
&end
#
# 132 LEU MDY 132 LEU HB- 3.00 (# 641:20 Unique 2.20, 3.40 A)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2058,2059,2060,2062,2063,2064,
igr2=2053,2054,
&end
#
# 74 GLU HB+ 70 LEU HB+ 6.00 (# 649:20 Unique 2.92, 7.30 A)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1164,1165,
igr2=1114,1115,
&end
#
# 132 LEU MDY 132 LEU HB+ 3.00 (# 650:20 Unique 2.20, 3.40 A)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2058,2059,2060,2062,2063,2064,
igr2=2053,2054,
&end
#
# 132 LEU MDX 132 LEU HB- 4.00 (# 653:20 Unique 2.20, 3.40 A)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2058,2059,2060,2062,2063,2064,
igr2=2053,2054,
&end
#
# 70 LEU HA 70 LEU HB+ 3.00 (# 661:20 Unique 2.26, 2.54 A)
&rst
ixpk= 661, nxpk= 20, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1114,1115,
&end
#
# 146 LYS HA 146 LYS HE+ 6.00 (# 663:20 Unique 4.59, 5.44 A)
&rst
ixpk= 663, nxpk= 20, iat=2284, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2295,2296,
&end
#
# 35 PHE HA 36 LYS HE+ 4.00 (# 668:20 Unique 2.82, 4.39 A)
&rst
ixpk= 668, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 574, 575,
&end
#
# 20 LYS HA 20 LYS HE+ 3.00 (# 669:20 Preassigned 1.78, 3.95 A)
&rst
ixpk= 669, nxpk= 20, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 304, 305,
&end
#
# 0 AMB 20-2:671 0 AMB 20-1:671 3.00 (# 671:20 Double Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 565, 566, 259, 260, 273, 274,
igr2= 574, 575, 304, 305, 304, 305,
&end
#
# 0 AMB 20-2:672 0 AMB 20-1:672 3.00 (# 672:20 Double Ambig)
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 295, 296, 298, 299,
igr2= 304, 305, 304, 305,
&end
#
# 20 LYS HD- 20 LYS HE+ 3.00 (# 673:20 Unique 2.36, 2.71 A)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 301, 302,
igr2= 304, 305,
&end
#
# 0 AMB 20-2:674 0 AMB 20-1:674 3.00 (# 674:20 Double Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 568, 569, 301, 302,
igr2= 574, 575, 304, 305,
&end
#
# 0 AMB 20-2:678 0 AMB 20-1:678 5.00 (# 678:20 Double Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 197, 198, 127,
igr2= 166, 167, 166, 167,
&end
#
# 0 AMB 20-2:680 0 AMB 20-1:680 3.00 (# 680:20 Double Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 136, 137, 138, 958, 959, 960, 962, 963, 964, 397,
398, 399, 401, 402, 403,
igr2= 919, 920, 919, 920, 304, 305,
&end
#
# 0 AMB 20-2:682 0 AMB 20-1:682 3.00 (# 682:20 Double Ambig)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 565, 566, 259, 260, 273, 274,
igr2= 574, 575, 304, 305, 304, 305,
&end
#
# 0 AMB 20-2:683 0 AMB 20-1:683 4.00 (# 683:20 Double Ambig)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2286,2287, 913, 914,
igr2=2295,2296,2295,2296,
&end
#
# 21 LYS HA 21 LYS HE- 6.00 (# 684:20 Unique 1.92, 4.19 A)
&rst
ixpk= 684, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 326, 327,
&end
#
# 0 AMB 20-2:695 0 AMB 20-1:695 3.00 (# 695:20 Double Ambig)
&rst
ixpk= 695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 317, 318, 323, 324, 200, 201,
igr2= 326, 327, 203, 204,
&end
#
# 0 AMB 20-2:696 0 AMB 20-1:696 3.00 (# 696:20 Double Ambig)
&rst
ixpk= 696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 320, 321,1498,1499,
igr2= 326, 327,1504,1505,
&end
#
# 147 LYS HB+ 147 LYS HE- 3.00 (# 710:20 Unique 2.06, 3.23 A)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2308,2309,
igr2=2317,2318,
&end
#
# 13 LYS HA 13 LYS HE+ 5.00 (# 720:20 Unique 2.30, 3.64 A)
&rst
ixpk= 720, nxpk= 20, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 203, 204,
&end
#
# 148 LEU MDX 0 AMB 20-1:732 4.00 (# 732:20 Single Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2335,2336,2337,2339,2340,2341,
igr2=2317,2318, 880, 881,
&end
#
# 9 ILE QG2 55 LYS HE+ 3.00 (# 733:20 Unique 2.06, 3.27 A)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 129, 130, 131,
igr2= 880, 881,
&end
#
# 31 GLU HB+ 13 LYS HE- 5.00 (# 740:20 Unique 2.04, 4.50 A)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 493, 494,
igr2= 203, 204,
&end
#
# 0 AMB 20-2:743 0 AMB 20-1:743 5.00 (# 743:20 Double Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1337,1994,1995,
igr2=1242,1243,2003,2004,
&end
#
# 88 PHE HA 88 PHE HB+ 3.00 (# 747:20 Unique 2.27, 2.65 A)
&rst
ixpk= 747, nxpk= 20, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1378,1379,
&end
#
# 59 VAL MGX 88 PHE HB+ 6.00 (# 748:20 Unique 3.92, 7.11 A)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 958, 959, 960, 962, 963, 964,
igr2=1378,1379,
&end
#
# 0 AMB 20-2:749 0 AMB 20-1:749 3.00 (# 749:20 Double Ambig)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 245,1198,
igr2= 247, 248,1242,1243,
&end
#
# 0 AMB 20-2:750 0 AMB 20-1:750 6.00 (# 750:20 Double Ambig)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1155,1156,1155,1156,
igr2=1133,1134,1145,1146,
&end
#
# 59 VAL MGX 88 PHE HB+ 6.00 (# 760:20 Unique 3.92, 7.11 A)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 958, 959, 960, 962, 963, 964,
igr2=1378,1379,
&end
#
# 0 AMB 20-2:762 0 AMB 20-1:762 5.00 (# 762:20 Double Ambig)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.91, r4=11.41,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,1119,1120,1121,1123,1124,1125,
igr2=1619,1620,1619,1620,1145,1146,
&end
#
# 0 AMB 20-2:764 0 AMB 20-1:764 5.00 (# 764:20 Double Ambig)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
igr1= 315,1064,1646, 369,
igr2= 359, 360,1081,1082,1619,1620, 359, 360,
&end
#
# 0 AMB 20-2:766 0 AMB 20-1:766 3.00 (# 766:20 Double Ambig)
&rst
ixpk= 766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1240,1079,
igr2=1242,1243,1081,1082,
&end
#
# 0 AMB 20-2:768 0 AMB 20-1:768 5.00 (# 768:20 Double Ambig)
&rst
ixpk= 768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
igr2=2210,2211,2210,2211,
&end
#
# 0 AMB 20-2:769 0 AMB 20-1:769 3.00 (# 769:20 Double Ambig)
&rst
ixpk= 769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1584,1585, 234, 235,
igr2=1578, 228,
&end
#
# 15 ILE HA 15 ILE HB 3.00 (# 770:20 Unique 3.05, 3.06 A)
&rst
ixpk= 770, nxpk= 20, iat= 226, 228, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:771 0 AMB 20-1:771 3.00 (# 771:20 Double Ambig)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1580,1581,1582, 230, 231, 232,
igr2=1578, 228,
&end
#
# 0 AMB 20-2:772 15 ILE HB 6.00 (# 772:20 Single Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 770, 771, 216, 217,
&end
#
# 0 AMB 20-2:774 0 AMB 20-1:774 6.00 (# 774:20 Double Ambig)
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1066,1067,2194,1361,1362,
igr2=1081,1082,1467,1468,1349,1350,
&end
#
# 99 ILE HA 99 ILE HB 5.00 (# 778:20 Unique 2.36, 2.53 A)
&rst
ixpk= 778, nxpk= 20, iat=1576,1578, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:779 0 AMB 20-1:779 5.00 (# 779:20 Double Ambig)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 214,1595,
igr2= 228,1578,
&end
#
# 93 TYR HA 93 TYR HB- 6.00 (# 782:20 Unique 2.28, 2.71 A)
&rst
ixpk= 782, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1467,1468,
&end
#
# 25 VAL MGX 22 PHE HB- 3.00 (# 796:20 Unique 2.09, 4.28 A)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 397, 398, 399, 401, 402, 403,
igr2= 339, 340,
&end
#
# 22 PHE HA 22 PHE HB- 3.00 (# 801:20 Unique 2.38, 2.74 A)
&rst
ixpk= 801, nxpk= 20, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 339, 340,
&end
#
# 25 VAL HB 22 PHE HB- 5.00 (# 803:20 Unique 2.05, 2.98 A)
&rst
ixpk= 803, nxpk= 20, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 339, 340,
&end
#
# 150 PHE HA 150 PHE HB+ 3.00 (# 804:20 Unique 2.43, 2.76 A)
&rst
ixpk= 804, nxpk= 20, iat=2357, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2359,2360,
&end
#
# 150 PHE HA 150 PHE HB- 3.00 (# 806:20 Unique 2.43, 2.76 A)
&rst
ixpk= 806, nxpk= 20, iat=2357, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2359,2360,
&end
#
# 0 AMB 20-2:809 0 AMB 20-1:809 6.00 (# 809:20 Double Ambig)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 374, 375, 317, 318, 323, 324,
igr2= 339, 340, 339, 340, 339, 340,
&end
#
# 22 PHE HA 22 PHE HB+ 3.00 (# 810:20 Unique 2.38, 2.74 A)
&rst
ixpk= 810, nxpk= 20, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 339, 340,
&end
#
# 25 VAL HB 22 PHE HB+ 5.00 (# 811:20 Unique 2.05, 2.98 A)
&rst
ixpk= 811, nxpk= 20, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 339, 340,
&end
#
# 25 VAL MGX 22 PHE HB+ 3.00 (# 815:20 Unique 2.09, 4.28 A)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 397, 398, 399, 401, 402, 403,
igr2= 339, 340,
&end
#
# 131 ASN HA 131 ASN HB- 3.00 (# 819:20 Unique 2.28, 2.70 A)
&rst
ixpk= 819, nxpk= 20, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2039,2040,
&end
#
# 9 ILE HG1+ 9 ILE HB 3.00 (# 820:20 Unique 2.45, 2.78 A)
&rst
ixpk= 820, nxpk= 20, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 133, 134,
&end
#
# 131 ASN HA 131 ASN HB+ 3.00 (# 822:20 Unique 2.28, 2.70 A)
&rst
ixpk= 822, nxpk= 20, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2039,2040,
&end
#
# 0 AMB 20-2:824 76 ASN HB- 6.00 (# 824:20 Single Ambig)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1240,1177,
igr2=1200,1201,
&end
#
# 9 ILE HG1- 9 ILE HB 3.00 (# 827:20 Unique 2.45, 2.78 A)
&rst
ixpk= 827, nxpk= 20, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 133, 134,
&end
#
# 9 ILE QD1 9 ILE HB 3.00 (# 828:20 Unique 2.53, 3.27 A)
&rst
ixpk= 828, nxpk= 20, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 9 ILE HB 3.00 (# 829:20 Unique 2.42, 2.65 A)
&rst
ixpk= 829, nxpk= 20, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 129, 130, 131,
&end
#
# 45 ILE HB 48 TYR HB+ 3.00 (# 831:20 Unique 3.09, 3.96 A)
&rst
ixpk= 831, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 770, 771,
&end
#
# 0 AMB 20-2:833 40 ILE HB 4.00 (# 833:20 Single Ambig)
&rst
ixpk= 833, nxpk= 20, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 644, 645, 646, 637, 638, 639,
&end
#
# 124 ARG HB- 40 ILE HB 3.00 (# 836:20 Unique 2.98, 3.81 A)
&rst
ixpk= 836, nxpk= 20, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1936,1937,
&end
#
# 138 ASP HA 138 ASP HB- 3.00 (# 845:20 Unique 2.43, 2.77 A)
&rst
ixpk= 845, nxpk= 20, iat=2145, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2147,2148,
&end
#
# 96 VAL MGX 138 ASP HB- 6.00 (# 846:20 Unique 4.64, 6.96 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1519,1520,1521,1523,1524,1525,
igr2=2147,2148,
&end
#
# 77 PRO HD+ 76 ASN HB+ 4.00 (# 849:20 Unique 2.25, 4.05 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1211,1212,
igr2=1200,1201,
&end
#
# 0 AMB 20-2:852 0 AMB 20-1:852 5.00 (# 852:20 Double Ambig)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1211,1212, 850, 851, 850, 851,
igr2=1200,1201, 770, 771, 770, 771,
&end
#
# 0 AMB 20-2:853 76 ASN HB- 6.00 (# 853:20 Single Ambig)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1240,1177,
igr2=1200,1201,
&end
#
# 0 AMB 20-2:855 0 AMB 20-1:855 5.00 (# 855:20 Double Ambig)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1012,1064,1100,
igr2=1045,1046,1045,1046,1045,1046,
&end
#
# 0 AMB 20-2:856 0 AMB 20-1:856 3.00 (# 856:20 Double Ambig)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2145, 6,
igr2=2147,2148,1045,1046,
&end
#
# 47 ILE HA 47 ILE HB 3.00 (# 859:20 Unique 2.98, 3.01 A)
&rst
ixpk= 859, nxpk= 20, iat= 749, 751, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 ILE HG1+ 47 ILE HB 3.00 (# 860:20 Unique 2.51, 2.84 A)
&rst
ixpk= 860, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 757, 758,
&end
#
# 0 AMB 20-2:862 135 PHE HB- 6.00 (# 862:20 Single Ambig)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=2133,2134,2135,2137,2138,2139,1519,1520,1521,1523,
1524,1525,
igr2=2096,2097,
&end
#
# 0 AMB 20-2:865 0 AMB 20-1:865 5.00 (# 865:20 Double Ambig)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1519,1520,1521,1523,1524,1525,1119,1120,1121,1123,
1124,1125,
igr2=2147,2148,1045,1046,
&end
#
# 47 ILE QG2 47 ILE HB 3.00 (# 870:20 Unique 2.41, 2.66 A)
&rst
ixpk= 870, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 753, 754, 755,
&end
#
# 47 ILE HG1+ 47 ILE HB 5.00 (# 871:20 Unique 2.51, 2.84 A)
&rst
ixpk= 871, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 757, 758,
&end
#
# 135 PHE HA 135 PHE HB- 4.00 (# 874:20 Unique 2.41, 2.77 A)
&rst
ixpk= 874, nxpk= 20, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2096,2097,
&end
#
# 135 PHE HA 135 PHE HB+ 3.00 (# 877:20 Unique 2.41, 2.77 A)
&rst
ixpk= 877, nxpk= 20, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2096,2097,
&end
#
# 47 ILE HG1- 47 ILE HB 3.00 (# 879:20 Unique 2.51, 2.84 A)
&rst
ixpk= 879, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 757, 758,
&end
#
# 116 VAL MGY 123 MET HB- 4.00 (# 886:20 Unique 2.09, 5.17 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1821,1822,1823,1825,1826,1827,
igr2=1919,1920,
&end
#
# 28 LEU MDX 45 ILE HB 4.00 (# 890:20 Unique 2.15, 3.83 A)
&rst
ixpk= 890, nxpk= 20, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 451, 452, 453, 455, 456, 457,
&end
#
# 92 MET HA 92 MET HB+ 5.00 (# 895:20 Unique 2.34, 2.79 A)
&rst
ixpk= 895, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1450,1451,
&end
#
# 92 MET HG+ 92 MET HB+ 4.00 (# 896:20 Unique 2.28, 2.57 A)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1453,1454,
igr2=1450,1451,
&end
#
# 129 ALA MB 0 AMB 20-1:898 6.00 (# 898:20 Single Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2015,2016,2017,
igr2=2025,2026,2025,2026,
&end
#
# 130 ASN HA 130 ASN HB- 3.00 (# 899:20 Unique 2.21, 2.62 A)
&rst
ixpk= 899, nxpk= 20, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2025,2026,
&end
#
# 129 ALA MB 130 ASN HB- 6.00 (# 900:20 Unique 4.22, 5.82 A)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2015,2016,2017,
igr2=2025,2026,
&end
#
# 0 AMB 20-2:902 45 ILE HB 4.00 (# 902:20 Single Ambig)
&rst
ixpk= 902, nxpk= 20, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 713, 369,
&end
#
# 45 ILE HG1- 45 ILE HB 3.00 (# 903:20 Unique 2.51, 2.86 A)
&rst
ixpk= 903, nxpk= 20, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 721, 722,
&end
#
# 45 ILE QG2 45 ILE HB 3.00 (# 904:20 Unique 2.18, 2.70 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 717, 718, 719,
&end
#
# 0 AMB 20-2:905 45 ILE HB 3.00 (# 905:20 Single Ambig)
&rst
ixpk= 905, nxpk= 20, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 724, 725, 726, 230, 231, 232,
&end
#
# 92 MET HA 92 MET HB- 4.00 (# 908:20 Unique 2.34, 2.79 A)
&rst
ixpk= 908, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1450,1451,
&end
#
# 47 ILE QD1 44 ASN HB+ 4.00 (# 914:20 Unique 2.61, 5.28 A)
&rst
ixpk= 914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 760, 761, 762,
igr2= 701, 702,
&end
#
# 25 VAL MGX 44 ASN HB+ 5.00 (# 915:20 Unique 2.24, 4.48 A)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 397, 398, 399, 401, 402, 403,
igr2= 701, 702,
&end
#
# 44 ASN HA 44 ASN HB- 4.00 (# 917:20 Unique 2.29, 2.74 A)
&rst
ixpk= 917, nxpk= 20, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 701, 702,
&end
#
# 25 VAL MGX 44 ASN HB- 5.00 (# 919:20 Unique 2.24, 4.48 A)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 397, 398, 399, 401, 402, 403,
igr2= 701, 702,
&end
#
# 44 ASN HA 44 ASN HB+ 5.00 (# 922:20 Unique 2.29, 2.74 A)
&rst
ixpk= 922, nxpk= 20, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 701, 702,
&end
#
# 146 LYS HE+ 146 LYS HB+ 5.00 (# 923:20 Unique 2.14, 4.42 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2295,2296,
igr2=2286,2287,
&end
#
# 146 LYS HA 146 LYS HB+ 3.00 (# 925:20 Unique 2.39, 2.68 A)
&rst
ixpk= 925, nxpk= 20, iat=2284, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2286,2287,
&end
#
# 88 PHE HA 146 LYS HB+ 3.00 (# 926:20 Unique 2.01, 3.28 A)
&rst
ixpk= 926, nxpk= 20, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2286,2287,
&end
#
# 0 AMB 20-2:927 0 AMB 20-1:927 3.00 (# 927:20 Double Ambig)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2289,2290, 916, 917,2292,2293,
igr2=2286,2287,2286,2287,2286,2287,
&end
#
# 55 LYS HE+ 55 LYS HB- 3.00 (# 930:20 Unique 2.07, 3.69 A)
&rst
ixpk= 930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 880, 881,
igr2= 871, 872,
&end
#
# 55 LYS HE+ 55 LYS HB+ 3.00 (# 931:20 Unique 2.07, 3.69 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 880, 881,
igr2= 871, 872,
&end
#
# 55 LYS HG+ 55 LYS HB+ 3.00 (# 932:20 Unique 2.31, 2.75 A)
&rst
ixpk= 932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 874, 875,
igr2= 871, 872,
&end
#
# 148 LEU MDX 55 LYS HB+ 4.00 (# 933:20 Unique 2.12, 4.57 A)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2335,2336,2337,2339,2340,2341,
igr2= 871, 872,
&end
#
# 148 LEU MDX 55 LYS HB- 4.00 (# 937:20 Unique 2.12, 4.57 A)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2335,2336,2337,2339,2340,2341,
igr2= 871, 872,
&end
#
# 36 LYS HA 31 GLU HG- 6.00 (# 939:20 Unique 2.67, 4.72 A)
&rst
ixpk= 939, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 496, 497,
&end
#
# 0 AMB 20-2:940 31 GLU HG- 6.00 (# 940:20 Single Ambig)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 203, 204, 482, 483,
igr2= 496, 497,
&end
#
# 95 LYS HE- 95 LYS HB- 5.00 (# 954:20 Unique 2.00, 4.61 A)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1504,1505,
igr2=1495,1496,
&end
#
# 104 THR MG2 0 AMB 20-1:956 6.00 (# 956:20 Single Ambig)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1648,1649,1650,
igr2=1688,1689,1634,1635,
&end
#
# 0 AMB 20-2:957 0 AMB 20-1:957 5.00 (# 957:20 Double Ambig)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1658, 265,1177,
igr2=1600,1601,1634,1635, 276, 277,1167,1168,
&end
#
# 0 AMB 20-2:958 0 AMB 20-1:958 3.00 (# 958:20 Double Ambig)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1671,1683, 271,1629,
igr2=1688,1689, 276, 277,1634,1635,
&end
#
# 105 SER HB- 0 AMB 20-1:959 6.00 (# 959:20 Single Ambig)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1660,1661,
igr2=1688,1689,1600,1601,
&end
#
# 141 VAL HA 141 VAL HB 3.00 (# 962:20 Unique 2.32, 2.58 A)
&rst
ixpk= 962, nxpk= 20, iat=2192,2194, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:963 141 VAL HB 3.00 (# 963:20 Single Ambig)
&rst
ixpk= 963, nxpk= 20, iat= -1,2194, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
&end
#
# 95 LYS HA 95 LYS HB+ 4.00 (# 964:20 Unique 2.28, 2.57 A)
&rst
ixpk= 964, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1495,1496,
&end
#
# 95 LYS HG+ 95 LYS HB+ 3.00 (# 965:20 Unique 2.26, 2.60 A)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1498,1499,
igr2=1495,1496,
&end
#
# 95 LYS HG+ 95 LYS HB- 3.00 (# 967:20 Unique 2.26, 2.60 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1498,1499,
igr2=1495,1496,
&end
#
# 95 LYS HA 95 LYS HB- 4.00 (# 968:20 Unique 2.28, 2.57 A)
&rst
ixpk= 968, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1495,1496,
&end
#
# 0 AMB 20-2:969 0 AMB 20-1:969 6.00 (# 969:20 Double Ambig)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1777,1778, 256, 257,
igr2=1634,1635, 276, 277,
&end
#
# 0 AMB 20-2:970 0 AMB 20-1:970 3.00 (# 970:20 Double Ambig)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1597,1598, 273, 274,1164,1165,1685,1686, 422, 423,
igr2=1600,1601, 276, 277,1167,1168,1688,1689, 276, 277,
&end
#
# 0 AMB 20-2:971 0 AMB 20-1:971 4.00 (# 971:20 Double Ambig)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1064,1646,
igr2=1069,1070,1634,1635,
&end
#
# 102 ASP HA 103 GLU HG- 6.00 (# 975:20 Unique 3.18, 5.30 A)
&rst
ixpk= 975, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1634,1635,
&end
#
# 0 AMB 20-2:980 0 AMB 20-1:980 4.00 (# 980:20 Double Ambig)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1617, 113,1043,
igr2=1634,1635, 103, 104,1069,1070,
&end
#
# 116 VAL MGX 116 VAL HB 3.00 (# 982:20 Unique 2.36, 2.65 A)
&rst
ixpk= 982, nxpk= 20, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1821,1822,1823,1825,1826,1827,
&end
#
# 99 ILE HB 100 GLU HG- 3.00 (# 986:20 Unique 2.46, 3.72 A)
&rst
ixpk= 986, nxpk= 20, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1600,1601,
&end
#
# 100 GLU HA 100 GLU HG- 6.00 (# 987:20 Unique 3.71, 3.80 A)
&rst
ixpk= 987, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1600,1601,
&end
#
# 99 ILE HB 100 GLU HG+ 3.00 (# 990:20 Unique 2.46, 3.72 A)
&rst
ixpk= 990, nxpk= 20, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1600,1601,
&end
#
# 0 AMB 20-2:992 0 AMB 20-1:992 4.00 (# 992:20 Double Ambig)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2114,2070,
igr2=2119,2120,2119,2120,
&end
#
# 139 SER HB+ 136 GLU HG+ 5.00 (# 993:20 Unique 2.26, 6.71 A)
&rst
ixpk= 993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2159,2160,
igr2=2119,2120,
&end
#
# 0 AMB 20-2:997 0 AMB 20-1:997 4.00 (# 997:20 Double Ambig)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1710,1711,1712,1584,1585,
igr2=1634,1635,1600,1601,
&end
#
# 33 GLU HA 33 GLU HG- 3.00 (# 998:20 Unique 2.32, 2.78 A)
&rst
ixpk= 998, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 522, 523,
&end
#
# 0 AMB 20-2:999 7 GLU HG- 3.00 (# 999:20 Single Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 958, 959, 960, 962, 963, 964, 136, 137, 138,
igr2= 103, 104,
&end
#
# 116 VAL MGX 116 VAL HB 3.00 (# 1000:20 Unique 2.36, 2.65 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1821,1822,1823,1825,1826,1827,
&end
#
# 59 VAL MGY 7 GLU HG- 3.00 (# 1011:20 Unique 2.30, 4.63 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 958, 959, 960, 962, 963, 964,
igr2= 103, 104,
&end
#
# 9 ILE QD1 7 GLU HG- 4.00 (# 1014:20 Unique 2.78, 5.16 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 136, 137, 138,
igr2= 103, 104,
&end
#
# 59 VAL MGY 7 GLU HG+ 3.00 (# 1015:20 Unique 2.30, 4.63 A)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 958, 959, 960, 962, 963, 964,
igr2= 103, 104,
&end
#
# 25 VAL HA 25 VAL HB 6.00 (# 1016:20 Unique 3.03, 3.07 A)
&rst
ixpk= 1016, nxpk= 20, iat= 393, 395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 ASN HA 25 VAL HB 6.00 (# 1024:20 Unique 4.33, 4.41 A)
&rst
ixpk= 1024, nxpk= 20, iat= 699, 395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 VAL HA 25 VAL HB 5.00 (# 1025:20 Unique 3.03, 3.07 A)
&rst
ixpk= 1025, nxpk= 20, iat= 393, 395, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 VAL MGX 25 VAL HB 3.00 (# 1026:20 Unique 2.39, 2.67 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 397, 398, 399, 401, 402, 403,
&end
#
# 0 AMB 20-2:1033 25 VAL HB 3.00 (# 1033:20 Single Ambig)
&rst
ixpk= 1033, nxpk= 20, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 339, 340, 304, 305,
&end
#
# 13 LYS HG+ 31 GLU HB+ 4.00 (# 1036:20 Unique 3.03, 3.89 A)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 197, 198,
igr2= 493, 494,
&end
#
# 0 AMB 20-2:1039 0 AMB 20-1:1039 4.00 (# 1039:20 Double Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 732, 369, 713,
igr2= 737, 738, 737, 738, 737, 738,
&end
#
# 46 GLN HB+ 46 GLN HG+ 3.00 (# 1041:20 Unique 2.32, 2.76 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 734, 735,
igr2= 737, 738,
&end
#
# 0 AMB 20-2:1042 0 AMB 20-1:1042 6.00 (# 1042:20 Double Ambig)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 724, 725, 726, 397, 398, 399, 401, 402, 403,
igr2= 737, 738, 737, 738,
&end
#
# 0 AMB 20-2:1043 46 GLN HG- 4.00 (# 1043:20 Single Ambig)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 732, 369, 713,
igr2= 737, 738,
&end
#
# 46 GLN HB+ 46 GLN HG- 3.00 (# 1046:20 Unique 2.32, 2.76 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 734, 735,
igr2= 737, 738,
&end
#
# 0 AMB 20-2:1047 0 AMB 20-1:1047 5.00 (# 1047:20 Double Ambig)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1777,1778, 377, 378, 377, 378,
igr2=1979,1980, 737, 738,
&end
#
# 13 LYS HE+ 31 GLU HB+ 6.00 (# 1049:20 Unique 2.04, 4.50 A)
&rst
ixpk= 1049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 203, 204,
igr2= 493, 494,
&end
#
# 13 LYS HD+ 31 GLU HB+ 3.00 (# 1050:20 Unique 2.15, 3.58 A)
&rst
ixpk= 1050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 200, 201,
igr2= 493, 494,
&end
#
# 13 LYS HE- 31 GLU HB- 4.00 (# 1051:20 Unique 2.04, 4.50 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 203, 204,
igr2= 493, 494,
&end
#
# 13 LYS HD+ 31 GLU HB- 3.00 (# 1052:20 Unique 2.15, 3.58 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 200, 201,
igr2= 493, 494,
&end
#
# 13 LYS HG+ 31 GLU HB- 3.00 (# 1053:20 Unique 3.03, 3.89 A)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 197, 198,
igr2= 493, 494,
&end
#
# 24 ARG HB+ 46 GLN HG+ 4.00 (# 1054:20 Unique 2.55, 4.45 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 371, 372,
igr2= 737, 738,
&end
#
# 0 AMB 20-2:1055 0 AMB 20-1:1055 4.00 (# 1055:20 Double Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 374, 375,1737,1738,
igr2= 737, 738,1979,1980,
&end
#
# 113 SER HA 126 GLN HB+ 5.00 (# 1057:20 Unique 2.45, 4.15 A)
&rst
ixpk= 1057, nxpk= 20, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1979,1980,
&end
#
# 38 ASP HB+ 126 GLN HB+ 4.00 (# 1058:20 Unique 2.09, 3.85 A)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 604, 605,
igr2=1979,1980,
&end
#
# 126 GLN HB- 126 GLN HG+ 3.00 (# 1059:20 Unique 2.25, 2.66 A)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1979,1980,
igr2=1982,1983,
&end
#
# 0 AMB 20-2:1060 0 AMB 20-1:1060 6.00 (# 1060:20 Double Ambig)
&rst
ixpk= 1060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1254,1255,1242,1243,
igr2=1364,1365,1364,1365,
&end
#
# 100 GLU HA 100 GLU HB- 5.00 (# 1061:20 Unique 2.26, 2.42 A)
&rst
ixpk= 1061, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1597,1598,
&end
#
# 38 ASP HB- 126 GLN HB+ 4.00 (# 1063:20 Unique 2.09, 3.85 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 604, 605,
igr2=1979,1980,
&end
#
# 86 ASP HA 87 GLN HG+ 6.00 (# 1068:20 Unique 4.26, 6.26 A)
&rst
ixpk= 1068, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1364,1365,
&end
#
# 87 GLN HA 87 GLN HG+ 3.00 (# 1069:20 Unique 2.44, 3.19 A)
&rst
ixpk= 1069, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1364,1365,
&end
#
# 87 GLN HB+ 87 GLN HG+ 3.00 (# 1070:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1361,1362,
igr2=1364,1365,
&end
#
# 100 GLU HA 100 GLU HB+ 4.00 (# 1071:20 Unique 2.26, 2.42 A)
&rst
ixpk= 1071, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1597,1598,
&end
#
# 0 AMB 20-2:1073 100 GLU HB- 6.00 (# 1073:20 Single Ambig)
&rst
ixpk= 1073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=2133,2134,2135,2137,2138,2139,1580,1581,1582,
igr2=1597,1598,
&end
#
# 0 AMB 20-2:1082 0 AMB 20-1:1082 3.00 (# 1082:20 Double Ambig)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 621, 622, 623, 625, 626, 627,2236,2237,2238,2240,
2241,2242,2236,2237,2238,2240,2241,2242,
igr2=1922,1923,1922,1923,1922,1923,
&end
#
# 0 AMB 20-2:1086 123 MET HG- 3.00 (# 1086:20 Single Ambig)
&rst
ixpk= 1086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 621, 622, 623, 625, 626, 627,2236,2237,2238,2240,
2241,2242,2236,2237,2238,2240,2241,2242,
igr2=1922,1923,
&end
#
# 10 PHE HB+ 30 CYS HB+ 6.00 (# 1087:20 Unique 2.23, 3.61 A)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 146, 147,
igr2= 482, 483,
&end
#
# 39 LEU HB- 30 CYS HB+ 3.00 (# 1088:20 Unique 2.09, 3.91 A)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 616, 617,
igr2= 482, 483,
&end
#
# 39 LEU HG 30 CYS HB+ 5.00 (# 1089:20 Unique 4.12, 5.74 A)
&rst
ixpk= 1089, nxpk= 20, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 482, 483,
&end
#
# 0 AMB 20-2:1091 0 AMB 20-1:1091 5.00 (# 1091:20 Double Ambig)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 940,2231,2232,1936,1937, 937, 938,1903,
igr2=1922,1923,1922,1923,1922,1923,1922,1923,1922,1923,
&end
#
# 0 AMB 20-2:1094 123 MET HG- 4.00 (# 1094:20 Single Ambig)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1821,1822,1823,1825,1826,1827, 659, 660, 661, 663,
664, 665,
igr2=1922,1923,
&end
#
# 0 AMB 20-2:1095 0 AMB 20-1:1095 5.00 (# 1095:20 Double Ambig)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.91, r4=11.41,
igr1=1519,1520,1521,1523,1524,1525,2133,2134,2135,2137,
2138,2139,2133,2134,2135,2137,2138,2139,
igr2=1554,1555,1554,1555,1554,1555,
&end
#
# 21 LYS HE- 21 LYS HB- 6.00 (# 1098:20 Unique 2.05, 3.66 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 326, 327,
igr2= 317, 318,
&end
#
# 21 LYS HG+ 21 LYS HB- 3.00 (# 1099:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 320, 321,
igr2= 317, 318,
&end
#
# 21 LYS HA 21 LYS HB- 3.00 (# 1100:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1100, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 317, 318,
&end
#
# 21 LYS HE- 21 LYS HB- 6.00 (# 1101:20 Unique 2.05, 3.66 A)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 326, 327,
igr2= 317, 318,
&end
#
# 111 ARG HA 111 ARG HB+ 3.00 (# 1105:20 Unique 2.41, 2.80 A)
&rst
ixpk= 1105, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1734,1735,
&end
#
# 0 AMB 20-2:1106 0 AMB 20-1:1106 3.00 (# 1106:20 Double Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1740,1741,1740,1741,
igr2=1734,1735,1734,1735,
&end
#
# 21 LYS HE- 21 LYS HB- 6.00 (# 1109:20 Unique 2.05, 3.66 A)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 326, 327,
igr2= 317, 318,
&end
#
# 21 LYS HA 21 LYS HB- 3.00 (# 1110:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1110, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 317, 318,
&end
#
# 0 AMB 20-2:1113 0 AMB 20-1:1113 3.00 (# 1113:20 Double Ambig)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2317,2318, 216, 217,
igr2=2308,2309, 194, 195,
&end
#
# 59 VAL MGY 7 GLU HB- 3.00 (# 1114:20 Unique 2.17, 4.78 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 958, 959, 960, 962, 963, 964,
igr2= 100, 101,
&end
#
# 0 AMB 20-2:1115 0 AMB 20-1:1115 4.00 (# 1115:20 Double Ambig)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1519,1520,1521,1523,1524,1525,2133,2134,2135,2137,
2138,2139,2133,2134,2135,2137,2138,2139,
igr2=1554,1555,1554,1555,1554,1555,
&end
#
# 29 HIS HB+ 13 LYS HB+ 6.00 (# 1120:20 Unique 2.71, 5.00 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 465, 466,
igr2= 194, 195,
&end
#
# 13 LYS HE+ 13 LYS HB+ 6.00 (# 1121:20 Unique 2.25, 3.47 A)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 203, 204,
igr2= 194, 195,
&end
#
# 0 AMB 20-2:1122 0 AMB 20-1:1122 3.00 (# 1122:20 Double Ambig)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2311,2312,2314,2315,
igr2=2308,2309,2308,2309,
&end
#
# 0 AMB 20-2:1123 0 AMB 20-1:1123 3.00 (# 1123:20 Double Ambig)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 197, 198,2311,2312,
igr2= 194, 195,2308,2309,
&end
#
# 146 LYS HA 147 LYS HB+ 5.00 (# 1124:20 Unique 4.79, 5.50 A)
&rst
ixpk= 1124, nxpk= 20, iat=2284, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2308,2309,
&end
#
# 0 AMB 20-2:1126 0 AMB 20-1:1126 3.00 (# 1126:20 Double Ambig)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 958, 959, 960, 962, 963, 964, 397, 398, 399, 401,
402, 403,
igr2= 100, 101, 295, 296,
&end
#
# 136 GLU HA 136 GLU HB+ 3.00 (# 1130:20 Unique 2.41, 2.71 A)
&rst
ixpk= 1130, nxpk= 20, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2116,2117,
&end
#
# 13 LYS HA 13 LYS HB+ 3.00 (# 1132:20 Unique 2.30, 2.69 A)
&rst
ixpk= 1132, nxpk= 20, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 194, 195,
&end
#
# 20 LYS HE+ 20 LYS HB- 5.00 (# 1133:20 Unique 2.01, 3.79 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 304, 305,
igr2= 295, 296,
&end
#
# 23 ASP HB+ 20 LYS HB- 6.00 (# 1134:20 Unique 3.81, 5.67 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 359, 360,
igr2= 295, 296,
&end
#
# 20 LYS HD- 20 LYS HB- 3.00 (# 1135:20 Unique 2.32, 3.60 A)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 301, 302,
igr2= 295, 296,
&end
#
# 0 AMB 20-2:1136 0 AMB 20-1:1136 5.00 (# 1136:20 Double Ambig)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 304, 305, 339, 340,
igr2= 295, 296, 295, 296,
&end
#
# 20 LYS HD+ 20 LYS HB+ 3.00 (# 1137:20 Unique 2.32, 3.60 A)
&rst
ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 301, 302,
igr2= 295, 296,
&end
#
# 20 LYS HD- 20 LYS HB+ 3.00 (# 1138:20 Unique 2.32, 3.60 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 301, 302,
igr2= 295, 296,
&end
#
# 20 LYS HA 20 LYS HB- 3.00 (# 1142:20 Unique 2.27, 2.81 A)
&rst
ixpk= 1142, nxpk= 20, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 295, 296,
&end
#
# 0 AMB 20-2:1143 0 AMB 20-1:1143 3.00 (# 1143:20 Double Ambig)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 301, 302,1557,1558,
igr2= 295, 296,2116,2117,
&end
#
# 0 AMB 20-2:1144 0 AMB 20-1:1144 3.00 (# 1144:20 Double Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2114, 265,
igr2=2116,2117, 295, 296,
&end
#
# 0 AMB 20-2:1145 0 AMB 20-1:1145 3.00 (# 1145:20 Double Ambig)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2119,2120, 273, 274,
igr2=2116,2117, 295, 296,
&end
#
# 139 SER HB- 136 GLU HB- 5.00 (# 1146:20 Unique 2.58, 6.53 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2159,2160,
igr2=2116,2117,
&end
#
# 20 LYS HA 20 LYS HB+ 3.00 (# 1147:20 Unique 2.27, 2.81 A)
&rst
ixpk= 1147, nxpk= 20, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 295, 296,
&end
#
# 136 GLU HG+ 136 GLU HB+ 3.00 (# 1149:20 Unique 2.24, 2.70 A)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2119,2120,
igr2=2116,2117,
&end
#
# 124 ARG HA 124 ARG HB- 6.00 (# 1154:20 Unique 2.26, 2.79 A)
&rst
ixpk= 1154, nxpk= 20, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1936,1937,
&end
#
# 92 MET HA 92 MET HG- 3.00 (# 1157:20 Unique 2.60, 3.39 A)
&rst
ixpk= 1157, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1453,1454,
&end
#
# 37 MET HA 37 MET HB+ 5.00 (# 1161:20 Unique 2.31, 2.65 A)
&rst
ixpk= 1161, nxpk= 20, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 587, 588,
&end
#
# 92 MET HA 92 MET HG+ 3.00 (# 1162:20 Preassigned 2.60, 3.39 A)
&rst
ixpk= 1162, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1453,1454,
&end
#
# 9 ILE QG2 57 ARG HB+ 6.00 (# 1163:20 Unique 3.82, 5.81 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 129, 130, 131,
igr2= 913, 914,
&end
#
# 82 PRO HA 82 PRO HB- 3.00 (# 1164:20 Unique 2.30, 2.62 A)
&rst
ixpk= 1164, nxpk= 20, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1293,1294,
&end
#
# 0 AMB 20-2:1166 0 AMB 20-1:1166 3.00 (# 1166:20 Double Ambig)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 357, 265,1296,1252,
igr2= 262, 263, 262, 263,1293,1294,1217,1218,
&end
#
# 0 AMB 20-2:1167 0 AMB 20-1:1167 3.00 (# 1167:20 Double Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1220, 271,
igr2=1217,1218, 262, 263,
&end
#
# 0 AMB 20-2:1168 0 AMB 20-1:1168 3.00 (# 1168:20 Double Ambig)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 256, 257,1287,1288,1211,1212, 411, 412,
igr2= 262, 263,1293,1294,1217,1218, 262, 263,
&end
#
# 0 AMB 20-2:1170 0 AMB 20-1:1170 3.00 (# 1170:20 Double Ambig)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 256, 257,1287,1288,1211,1212,
igr2= 262, 263,1293,1294,1217,1218,
&end
#
# 0 AMB 20-2:1173 0 AMB 20-1:1173 3.00 (# 1173:20 Double Ambig)
&rst
ixpk= 1173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 265,1252,
igr2= 262, 263,1217,1218,
&end
#
# 0 AMB 20-2:1175 0 AMB 20-1:1175 3.00 (# 1175:20 Double Ambig)
&rst
ixpk= 1175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1220, 271,
igr2=1217,1218, 262, 263,
&end
#
# 0 AMB 20-2:1176 0 AMB 20-1:1176 4.00 (# 1176:20 Double Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 256, 257,1211,1212,
igr2= 262, 263,1217,1218,
&end
#
# 83 SER HB+ 82 PRO HB- 6.00 (# 1178:20 Unique 4.75, 6.42 A)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1304,1305,
igr2=1293,1294,
&end
#
# 12 VAL MGY 12 VAL HB 3.00 (# 1183:20 Unique 2.29, 2.65 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:1187 0 AMB 20-1:1187 4.00 (# 1187:20 Double Ambig)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 256, 257,1211,1212, 411, 412,
igr2= 262, 263,1217,1218,
&end
#
# 12 VAL MGX 12 VAL HB 3.00 (# 1189:20 Unique 2.29, 2.65 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:1205 96 VAL HB 3.00 (# 1205:20 Single Ambig)
&rst
ixpk= 1205, nxpk= 20, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2133,2134,2135,2137,2138,2139,1519,1520,1521,1523,
1524,1525,
&end
#
# 96 VAL MGX 96 VAL HB 3.00 (# 1206:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1206, nxpk= 20, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 137 VAL MGX 137 VAL HB 3.00 (# 1207:20 Unique 2.33, 2.66 A)
&rst
ixpk= 1207, nxpk= 20, iat= -1,2131, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2133,2134,2135,2137,2138,2139,
&end
#
# 137 VAL HA 137 VAL HB 3.00 (# 1209:20 Unique 2.31, 2.60 A)
&rst
ixpk= 1209, nxpk= 20, iat=2129,2131, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1219 0 AMB 20-1:1219 3.00 (# 1219:20 Double Ambig)
&rst
ixpk= 1219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1272,1273,2176,2177,
igr2=1266,1267,2170,2171,
&end
#
# 81 ARG HA 81 ARG HB+ 3.00 (# 1221:20 Unique 2.20, 2.68 A)
&rst
ixpk= 1221, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1266,1267,
&end
#
# 81 ARG HA 81 ARG HB- 3.00 (# 1222:20 Unique 2.20, 2.68 A)
&rst
ixpk= 1222, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1266,1267,
&end
#
# 0 AMB 20-2:1225 81 ARG HB- 3.00 (# 1225:20 Single Ambig)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1272,1273,1272,1273,
igr2=1266,1267,
&end
#
# 0 AMB 20-2:1226 107 GLU HB- 3.00 (# 1226:20 Single Ambig)
&rst
ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1683,1671,
igr2=1685,1686,
&end
#
# 33 GLU HA 33 GLU HB+ 3.00 (# 1229:20 Unique 2.34, 2.73 A)
&rst
ixpk= 1229, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 519, 520,
&end
#
# 75 TYR HA 74 GLU HB+ 5.00 (# 1230:20 Preassigned 3.92, 5.12 A)
&rst
ixpk= 1230, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1164,1165,
&end
#
# 74 GLU HA 74 GLU HB+ 3.00 (# 1231:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1231, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1164,1165,
&end
#
# 33 GLU HA 33 GLU HB- 4.00 (# 1235:20 Unique 2.34, 2.73 A)
&rst
ixpk= 1235, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:1237 0 AMB 20-1:1237 3.00 (# 1237:20 Double Ambig)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1064,1646,
igr2=1066,1067,1685,1686,
&end
#
# 74 GLU HA 74 GLU HB- 3.00 (# 1240:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1240, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1164,1165,
&end
#
# 140 ARG HA 140 ARG HB+ 5.00 (# 1242:20 Unique 2.28, 2.68 A)
&rst
ixpk= 1242, nxpk= 20, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2170,2171,
&end
#
# 140 ARG HA 140 ARG HB- 4.00 (# 1243:20 Unique 2.28, 2.68 A)
&rst
ixpk= 1243, nxpk= 20, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2170,2171,
&end
#
# 0 AMB 20-2:1246 0 AMB 20-1:1246 3.00 (# 1246:20 Double Ambig)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 989, 6,1683,
igr2= 8, 9, 8, 9,1685,1686,
&end
#
# 14 ASP HB+ 29 HIS HB- 6.00 (# 1250:20 Unique 2.06, 2.68 A)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 216, 217,
igr2= 465, 466,
&end
#
# 14 ASP HB- 29 HIS HB- 5.00 (# 1251:20 Unique 2.06, 2.68 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 216, 217,
igr2= 465, 466,
&end
#
# 0 AMB 20-2:1252 0 AMB 20-1:1252 6.00 (# 1252:20 Double Ambig)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 444, 226,
igr2= 465, 466, 465, 466,
&end
#
# 40 ILE QD1 29 HIS HB+ 6.00 (# 1254:20 Unique 2.25, 4.47 A)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 644, 645, 646,
igr2= 465, 466,
&end
#
# 9 ILE HB 33 GLU HB+ 3.00 (# 1256:20 Preassigned 3.46, 4.81 A)
&rst
ixpk= 1256, nxpk= 20, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 519, 520,
&end
#
# 99 ILE HB 103 GLU HB- 6.00 (# 1258:20 Unique 4.20, 8.38 A)
&rst
ixpk= 1258, nxpk= 20, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1631,1632,
&end
#
# 0 AMB 20-2:1260 0 AMB 20-1:1260 3.00 (# 1260:20 Double Ambig)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 271,1629,
igr2= 273, 274,1631,1632,
&end
#
# 104 THR MG2 103 GLU HB+ 6.00 (# 1262:20 Unique 2.50, 5.77 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1648,1649,1650,
igr2=1631,1632,
&end
#
# 45 ILE HG1- 24 ARG HB+ 5.00 (# 1263:20 Unique 3.35, 4.44 A)
&rst
ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 721, 722,
igr2= 371, 372,
&end
#
# 45 ILE QD1 24 ARG HB+ 4.00 (# 1275:20 Unique 2.00, 3.42 A)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 724, 725, 726,
igr2= 371, 372,
&end
#
# 88 PHE HA 146 LYS HD- 3.00 (# 1276:20 Unique 2.11, 3.60 A)
&rst
ixpk= 1276, nxpk= 20, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2292,2293,
&end
#
# 0 AMB 20-2:1279 0 AMB 20-1:1279 3.00 (# 1279:20 Double Ambig)
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 377, 378, 377, 378,
igr2= 371, 372, 371, 372,
&end
#
# 0 AMB 20-2:1280 0 AMB 20-1:1280 6.00 (# 1280:20 Double Ambig)
&rst
ixpk= 1280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1376,1347, 357,1240,
igr2=1361,1362,1361,1362, 371, 372,1361,1362,
&end
#
# 24 ARG HG+ 24 ARG HB+ 3.00 (# 1289:20 Unique 2.38, 2.59 A)
&rst
ixpk= 1289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 374, 375,
igr2= 371, 372,
&end
#
# 0 AMB 20-2:1294 0 AMB 20-1:1294 3.00 (# 1294:20 Double Ambig)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1504,1505,2295,2296,2147,2148,
igr2=1501,1502,2292,2293,1501,1502,
&end
#
# 95 LYS HG+ 95 LYS HD+ 3.00 (# 1295:20 Unique 2.37, 2.75 A)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1498,1499,
igr2=1501,1502,
&end
#
# 88 PHE HA 146 LYS HD+ 5.00 (# 1296:20 Unique 2.11, 3.60 A)
&rst
ixpk= 1296, nxpk= 20, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2292,2293,
&end
#
# 0 AMB 20-2:1297 0 AMB 20-1:1297 3.00 (# 1297:20 Double Ambig)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 369, 563, 732,
igr2= 371, 372, 565, 566, 371, 372,
&end
#
# 20 LYS HA 20 LYS HG+ 4.00 (# 1300:20 Unique 2.06, 3.27 A)
&rst
ixpk= 1300, nxpk= 20, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 298, 299,
&end
#
# 0 AMB 20-2:1301 0 AMB 20-1:1301 3.00 (# 1301:20 Double Ambig)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 339, 340, 304, 305,
igr2= 298, 299, 298, 299,
&end
#
# 20 LYS HD+ 20 LYS HG+ 3.00 (# 1304:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 301, 302,
igr2= 298, 299,
&end
#
# 21 LYS HE- 21 LYS HD- 3.00 (# 1305:20 Unique 2.32, 2.71 A)
&rst
ixpk= 1305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 326, 327,
igr2= 323, 324,
&end
#
# 0 AMB 20-2:1306 0 AMB 20-1:1306 6.00 (# 1306:20 Double Ambig)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=2159,2160,2087,2088,
igr2=2072,2073,2072,2073,
&end
#
# 36 LYS HG+ 36 LYS HB+ 3.00 (# 1307:20 Unique 2.27, 2.73 A)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 568, 569,
igr2= 565, 566,
&end
#
# 21 LYS HA 21 LYS HD- 3.00 (# 1308:20 Unique 2.98, 4.08 A)
&rst
ixpk= 1308, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 323, 324,
&end
#
# 21 LYS HG+ 21 LYS HD- 3.00 (# 1309:20 Unique 2.29, 2.61 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 320, 321,
igr2= 323, 324,
&end
#
# 133 HIS HA 133 HIS HB+ 3.00 (# 1310:20 Unique 2.50, 2.82 A)
&rst
ixpk= 1310, nxpk= 20, iat=2070, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2072,2073,
&end
#
# 133 HIS HA 133 HIS HB- 3.00 (# 1312:20 Unique 2.50, 2.82 A)
&rst
ixpk= 1312, nxpk= 20, iat=2070, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2072,2073,
&end
#
# 24 ARG HB+ 46 GLN HB- 3.00 (# 1316:20 Unique 2.15, 3.57 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 371, 372,
igr2= 734, 735,
&end
#
# 24 ARG HB+ 46 GLN HB- 3.00 (# 1318:20 Unique 2.15, 3.57 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 371, 372,
igr2= 734, 735,
&end
#
# 46 GLN HA 46 GLN HB- 3.00 (# 1319:20 Unique 2.29, 2.48 A)
&rst
ixpk= 1319, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 734, 735,
&end
#
# 46 GLN HG+ 46 GLN HB- 3.00 (# 1320:20 Unique 2.32, 2.76 A)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 737, 738,
igr2= 734, 735,
&end
#
# 46 GLN HA 46 GLN HB+ 3.00 (# 1322:20 Unique 2.29, 2.48 A)
&rst
ixpk= 1322, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 734, 735,
&end
#
# 46 GLN HG+ 46 GLN HB+ 3.00 (# 1323:20 Unique 2.32, 2.76 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 737, 738,
igr2= 734, 735,
&end
#
# 9 ILE QG2 9 ILE HG1- 3.00 (# 1327:20 Preassigned 2.28, 3.03 A)
&rst
ixpk= 1327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 129, 130, 131,
igr2= 133, 134,
&end
#
# 9 ILE HA 9 ILE HG1- 4.00 (# 1328:20 Unique 2.36, 3.04 A)
&rst
ixpk= 1328, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 133, 134,
&end
#
# 9 ILE HA 9 ILE HG1+ 3.00 (# 1329:20 Unique 2.36, 3.04 A)
&rst
ixpk= 1329, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 133, 134,
&end
#
# 9 ILE QD1 9 ILE HG1- 3.00 (# 1332:20 Unique 2.33, 2.65 A)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 136, 137, 138,
igr2= 133, 134,
&end
#
# 0 AMB 20-2:1333 15 ILE HG1- 3.00 (# 1333:20 Single Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 226, 444,
igr2= 234, 235,
&end
#
# 13 LYS HE- 13 LYS HD+ 3.00 (# 1337:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 203, 204,
igr2= 200, 201,
&end
#
# 28 LEU HB+ 15 ILE HG1- 5.00 (# 1338:20 Unique 2.60, 4.56 A)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 446, 447,
igr2= 234, 235,
&end
#
# 0 AMB 20-2:1340 0 AMB 20-1:1340 3.00 (# 1340:20 Double Ambig)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 230, 231, 232,1587,1588,1589, 136, 137, 138, 237,
238, 239,1580,1581,1582,
igr2= 234, 235,1584,1585, 133, 134,1584,1585,
&end
#
# 0 AMB 20-2:1348 0 AMB 20-1:1348 3.00 (# 1348:20 Double Ambig)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 937, 938, 496, 497, 115, 116,
igr2= 940, 200, 201,
&end
#
# 0 AMB 20-2:1351 0 AMB 20-1:1351 5.00 (# 1351:20 Double Ambig)
&rst
ixpk= 1351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 166, 167,1922,1923,
igr2= 200, 201, 940,
&end
#
# 140 ARG HA 140 ARG HG+ 4.00 (# 1358:20 Unique 2.41, 3.26 A)
&rst
ixpk= 1358, nxpk= 20, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2173,2174,
&end
#
# 0 AMB 20-2:1360 0 AMB 20-1:1360 5.00 (# 1360:20 Double Ambig)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
igr2=2173,2174,2173,2174,
&end
#
# 0 AMB 20-2:1361 122 LEU HG 5.00 (# 1361:20 Single Ambig)
&rst
ixpk= 1361, nxpk= 20, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1934,1817,
&end
#
# 0 AMB 20-2:1362 0 AMB 20-1:1362 3.00 (# 1362:20 Double Ambig)
&rst
ixpk= 1362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1552, 192,
igr2=1557,1558, 200, 201,
&end
#
# 0 AMB 20-2:1363 0 AMB 20-1:1363 3.00 (# 1363:20 Double Ambig)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 919, 920, 203, 204,
igr2= 916, 917, 200, 201,
&end
#
# 0 AMB 20-2:1364 0 AMB 20-1:1364 3.00 (# 1364:20 Double Ambig)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1519,1520,1521,1523,1524,1525,2133,2134,2135,2137,
2138,2139,2133,2134,2135,2137,2138,2139, 760, 761,
762,1584,1585,
igr2=1557,1558,1557,1558,1557,1558, 757, 758,1557,1558,
&end
#
# 0 AMB 20-2:1366 0 AMB 20-1:1366 3.00 (# 1366:20 Double Ambig)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1587,1588,1589,1821,1822,1823,1825,1826,1827,1519,
1520,1521,1523,1524,1525, 237, 238, 239,
igr2=1557,1558,2173,2174,1584,1585, 234, 235,
&end
#
# 47 ILE HA 47 ILE HG1+ 3.00 (# 1367:20 Unique 2.76, 3.16 A)
&rst
ixpk= 1367, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 757, 758,
&end
#
# 99 ILE HA 99 ILE HG1+ 5.00 (# 1368:20 Unique 3.77, 4.07 A)
&rst
ixpk= 1368, nxpk= 20, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1584,1585,
&end
#
# 35 PHE HB+ 37 MET HG+ 5.00 (# 1369:20 Unique 2.50, 4.97 A)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 545, 546,
igr2= 590, 591,
&end
#
# 0 AMB 20-2:1371 0 AMB 20-1:1371 6.00 (# 1371:20 Double Ambig)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1821,1822,1823,1825,1826,1827,2058,2059,2060,2062,
2063,2064,
igr2=2173,2174,2173,2174,
&end
#
# 0 AMB 20-2:1372 0 AMB 20-1:1372 3.00 (# 1372:20 Double Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 749, 713, 176, 369,
igr2= 757, 758, 200, 201, 374, 375,
&end
#
# 0 AMB 20-2:1373 0 AMB 20-1:1373 3.00 (# 1373:20 Double Ambig)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 493, 494, 913, 914,2286,2287, 751, 194, 195,
igr2= 200, 201, 916, 917, 916, 917, 757, 758, 200, 201,
&end
#
# 112 LEU HA 112 LEU HG 4.00 (# 1375:20 Unique 2.27, 2.83 A)
&rst
ixpk= 1375, nxpk= 20, iat=1756,1761, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1376 0 AMB 20-1:1376 3.00 (# 1376:20 Double Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1732, 226, 444,
igr2=1737,1738, 234, 235, 234, 235,
&end
#
# 98 ARG HA 0 AMB 20-1:1377 4.00 (# 1377:20 Single Ambig)
&rst
ixpk= 1377, nxpk= 20, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1557,1558,1584,1585,
&end
#
# 47 ILE QD1 47 ILE HG1+ 3.00 (# 1380:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 760, 761, 762,
igr2= 757, 758,
&end
#
# 0 AMB 20-2:1384 0 AMB 20-1:1384 3.00 (# 1384:20 Double Ambig)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 265,1240,1296,
igr2= 259, 260,1214,1215,1290,1291,1290,1291,
&end
#
# 0 AMB 20-2:1386 0 AMB 20-1:1386 5.00 (# 1386:20 Double Ambig)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1960,1961, 616, 617,
igr2= 590, 591, 590, 591,
&end
#
# 128 ASP HA 111 ARG HG- 3.00 (# 1397:20 Preassigned 3.37, 4.80 A)
&rst
ixpk= 1397, nxpk= 20, iat=2001, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1737,1738,
&end
#
# 0 AMB 20-2:1399 0 AMB 20-1:1399 3.00 (# 1399:20 Double Ambig)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1560,1561,1740,1741,2176,2177,1560,1561,
igr2=1584,1585,1737,1738,2173,2174,1557,1558,
&end
#
# 24 ARG HA 45 ILE HG1- 3.00 (# 1402:20 Unique 2.17, 2.74 A)
&rst
ixpk= 1402, nxpk= 20, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 721, 722,
&end
#
# 45 ILE QG2 45 ILE HG1- 3.00 (# 1403:20 Unique 2.01, 2.85 A)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 717, 718, 719,
igr2= 721, 722,
&end
#
# 37 MET HA 37 MET HG+ 4.00 (# 1409:20 Unique 2.22, 3.15 A)
&rst
ixpk= 1409, nxpk= 20, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 590, 591,
&end
#
# 0 AMB 20-2:1411 0 AMB 20-1:1411 3.00 (# 1411:20 Double Ambig)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 262, 263,1217,1218,1293,1294, 276, 277,
igr2= 259, 260,1214,1215,1290,1291, 425, 426,
&end
#
# 78 THR MG2 0 AMB 20-1:1412 5.00 (# 1412:20 Single Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1230,1231,1232,
igr2=1290,1291,1214,1215,
&end
#
# 0 AMB 20-2:1413 0 AMB 20-1:1413 3.00 (# 1413:20 Double Ambig)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 230, 231, 232, 724, 725, 726,
igr2= 259, 260, 259, 260,
&end
#
# 0 AMB 20-2:1415 0 AMB 20-1:1415 5.00 (# 1415:20 Double Ambig)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1112,1515,1718,
igr2=1117,1557,1558,1737,1738,
&end
#
# 0 AMB 20-2:1416 0 AMB 20-1:1416 3.00 (# 1416:20 Double Ambig)
&rst
ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=1587,1588,1589,1519,1520,1521,1523,1524,1525,1905,
1906,1907,1909,1910,1911,1119,1120,1121,1123,1124,
1125,
igr2=1557,1558,1557,1558,1903,1117,
&end
#
# 111 ARG HA 111 ARG HG+ 3.00 (# 1417:20 Unique 2.18, 3.03 A)
&rst
ixpk= 1417, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1737,1738,
&end
#
# 0 AMB 20-2:1418 0 AMB 20-1:1418 3.00 (# 1418:20 Double Ambig)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1740,1741,1560,1561, 377, 378,
igr2=1737,1738,1557,1558, 374, 375,
&end
#
# 44 ASN HA 45 ILE HG1- 4.00 (# 1420:20 Unique 3.19, 4.05 A)
&rst
ixpk= 1420, nxpk= 20, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 721, 722,
&end
#
# 45 ILE HB 45 ILE HG1- 3.00 (# 1421:20 Unique 2.51, 2.86 A)
&rst
ixpk= 1421, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 721, 722,
&end
#
# 0 AMB 20-2:1422 45 ILE HG1- 4.00 (# 1422:20 Single Ambig)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 371, 372, 259, 260,
igr2= 721, 722,
&end
#
# 0 AMB 20-2:1423 45 ILE HG1- 3.00 (# 1423:20 Single Ambig)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 724, 725, 726, 230, 231, 232,
igr2= 721, 722,
&end
#
# 0 AMB 20-2:1425 0 AMB 20-1:1425 4.00 (# 1425:20 Double Ambig)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1228,1226,1220,
igr2=1290,1291,1290,1291,1214,1215,
&end
#
# 0 AMB 20-2:1426 0 AMB 20-1:1426 3.00 (# 1426:20 Double Ambig)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1287,1288,1211,1212, 256, 257, 411, 412,
igr2=1290,1291,1214,1215, 259, 260, 259, 260,
&end
#
# 0 AMB 20-2:1427 0 AMB 20-1:1427 3.00 (# 1427:20 Double Ambig)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1287,1288,1211,1212, 256, 257,
igr2=1290,1291,1214,1215, 259, 260,
&end
#
# 0 AMB 20-2:1428 0 AMB 20-1:1428 3.00 (# 1428:20 Double Ambig)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 644, 645, 646, 637, 638, 639,
igr2= 425, 426, 425, 426,
&end
#
# 129 ALA HA 112 LEU HG 6.00 (# 1430:20 Unique 2.11, 4.04 A)
&rst
ixpk= 1430, nxpk= 20, iat=2013,1761, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 132 LEU MDX 0 AMB 20-1:1443 3.00 (# 1443:20 Single Ambig)
&rst
ixpk= 1443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2058,2059,2060,2062,2063,2064,
igr2=1963,2056,
&end
#
# 28 LEU HB+ 41 LEU HG 5.00 (# 1444:20 Unique 2.87, 4.03 A)
&rst
ixpk= 1444, nxpk= 20, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 446, 447,
&end
#
# 0 AMB 20-2:1449 41 LEU HG 4.00 (# 1449:20 Single Ambig)
&rst
ixpk= 1449, nxpk= 20, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 621, 622, 623, 625, 626, 627, 451, 452, 453, 455,
456, 457,
&end
#
# 0 AMB 20-2:1454 0 AMB 20-1:1454 4.00 (# 1454:20 Double Ambig)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1264,1240,
igr2=1269,1270,1269,1270,
&end
#
# 0 AMB 20-2:1455 0 AMB 20-1:1455 3.00 (# 1455:20 Double Ambig)
&rst
ixpk= 1455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 465, 466,1272,1273, 574, 575,
igr2= 641, 642,1269,1270, 571, 572,
&end
#
# 41 LEU HA 41 LEU HG 5.00 (# 1459:20 Unique 3.95, 4.04 A)
&rst
ixpk= 1459, nxpk= 20, iat= 652, 657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 SER HB+ 81 ARG HG+ 6.00 (# 1464:20 Unique 2.33, 6.01 A)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1304,1305,
igr2=1269,1270,
&end
#
# 0 AMB 20-2:1468 148 LEU HG 4.00 (# 1468:20 Single Ambig)
&rst
ixpk= 1468, nxpk= 20, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2328,2306,
&end
#
# 55 LYS HB- 148 LEU HG 3.00 (# 1469:20 Unique 3.09, 3.58 A)
&rst
ixpk= 1469, nxpk= 20, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 871, 872,
&end
#
# 113 SER HA 132 LEU MDY 5.00 (# 1471:20 Unique 2.96, 6.11 A)
&rst
ixpk= 1471, nxpk= 20, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 129 ALA HA 132 LEU MDY 5.00 (# 1473:20 Unique 3.16, 6.34 A)
&rst
ixpk= 1473, nxpk= 20, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:1474 132 LEU MDY 3.00 (# 1474:20 Single Ambig)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1963,2056,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 147 LYS HB+ 148 LEU HG 4.00 (# 1478:20 Unique 3.08, 3.97 A)
&rst
ixpk= 1478, nxpk= 20, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2308,2309,
&end
#
# 148 LEU HB+ 148 LEU HG 3.00 (# 1479:20 Unique 2.36, 2.74 A)
&rst
ixpk= 1479, nxpk= 20, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2330,2331,
&end
#
# 9 ILE QG2 148 LEU HG 5.00 (# 1480:20 Unique 4.64, 6.44 A)
&rst
ixpk= 1480, nxpk= 20, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 129, 130, 131,
&end
#
# 132 LEU HB- 132 LEU MDY 3.00 (# 1486:20 Unique 2.20, 3.40 A)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2053,2054,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:1488 132 LEU MDY 4.00 (# 1488:20 Single Ambig)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2170,2171,1557,1558,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 147 LYS HE- 148 LEU HG 5.00 (# 1490:20 Unique 2.83, 4.30 A)
&rst
ixpk= 1490, nxpk= 20, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2317,2318,
&end
#
# 131 ASN HB- 132 LEU MDY 5.00 (# 1492:20 Unique 4.04, 7.31 A)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2039,2040,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:1493 132 LEU MDY 3.00 (# 1493:20 Single Ambig)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,1519,1520,1521,1523,1524,1525,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 125 LEU MDX 132 LEU MDY 3.00 (# 1494:20 Unique 2.27, 5.52 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1965,1966,1967,1969,1970,1971,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:1495 0 AMB 20-1:1495 3.00 (# 1495:20 Double Ambig)
&rst
ixpk= 1495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2308,2309,2286,2287,
igr2=2311,2312,2311,2312,
&end
#
# 28 LEU HB+ 28 LEU HG 3.00 (# 1497:20 Unique 2.27, 2.58 A)
&rst
ixpk= 1497, nxpk= 20, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 446, 447,
&end
#
# 114 ALA HA 132 LEU MDY 4.00 (# 1506:20 Preassigned 4.05, 6.01 A)
&rst
ixpk= 1506, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 30 CYS HB+ 39 LEU HG 5.00 (# 1510:20 Unique 4.12, 5.74 A)
&rst
ixpk= 1510, nxpk= 20, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 482, 483,
&end
#
# 147 LYS HA 147 LYS HG- 5.00 (# 1511:20 Unique 2.17, 3.73 A)
&rst
ixpk= 1511, nxpk= 20, iat=2306, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2311,2312,
&end
#
# 0 AMB 20-2:1515 28 LEU HG 3.00 (# 1515:20 Single Ambig)
&rst
ixpk= 1515, nxpk= 20, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 234, 235, 446, 447,
&end
#
# 0 AMB 20-2:1517 28 LEU HG 4.00 (# 1517:20 Single Ambig)
&rst
ixpk= 1517, nxpk= 20, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 444, 226,
&end
#
# 0 AMB 20-2:1522 125 LEU MDX 6.00 (# 1522:20 Single Ambig)
&rst
ixpk= 1522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 587, 588, 590, 591,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 0 AMB 20-2:1523 125 LEU MDX 4.00 (# 1523:20 Single Ambig)
&rst
ixpk= 1523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1958,1775,1796,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 0 AMB 20-2:1524 0 AMB 20-1:1524 3.00 (# 1524:20 Double Ambig)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1960,1961,1960,1961, 616, 617,1758,1759,
igr2=1965,1966,1967,1969,1970,1971, 619,
&end
#
# 0 AMB 20-2:1526 0 AMB 20-1:1526 3.00 (# 1526:20 Double Ambig)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 621, 622, 623, 625, 626, 627,1788,1789,1790,
igr2= 619,1965,1966,1967,1969,1970,1971,
&end
#
# 147 LYS HE- 147 LYS HG+ 4.00 (# 1530:20 Unique 2.26, 3.38 A)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2317,2318,
igr2=2311,2312,
&end
#
# 0 AMB 20-2:1531 0 AMB 20-1:1531 3.00 (# 1531:20 Double Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2308,2309,2286,2287,
igr2=2311,2312,2311,2312,
&end
#
# 147 LYS HE- 147 LYS HG- 4.00 (# 1533:20 Unique 2.26, 3.38 A)
&rst
ixpk= 1533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2317,2318,
igr2=2311,2312,
&end
#
# 0 AMB 20-2:1559 0 AMB 20-1:1559 4.00 (# 1559:20 Double Ambig)
&rst
ixpk= 1559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1963,2056,
igr2=1965,1966,1967,1969,1970,1971, 619,
&end
#
# 0 AMB 20-2:1561 0 AMB 20-1:1561 5.00 (# 1561:20 Double Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
igr1=1922,1923,1922,1923,
igr2=1965,1966,1967,1969,1970,1971, 619,
&end
#
# 0 AMB 20-2:1562 147 LYS HG- 3.00 (# 1562:20 Single Ambig)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2308,2309,2286,2287,
igr2=2311,2312,
&end
#
# 0 AMB 20-2:1578 112 LEU MDY 5.00 (# 1578:20 Single Ambig)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1595,2037,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 129 ALA HA 112 LEU MDY 5.00 (# 1583:20 Unique 2.08, 3.67 A)
&rst
ixpk= 1583, nxpk= 20, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 0 AMB 20-2:1585 112 LEU MDY 3.00 (# 1585:20 Single Ambig)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2053,2054,2015,2016,2017,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 122 LEU HA 122 LEU MDY 4.00 (# 1592:20 Unique 2.29, 4.19 A)
&rst
ixpk= 1592, nxpk= 20, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1905,1906,1907,1909,1910,1911,
&end
#
# 0 AMB 20-2:1594 0 AMB 20-1:1594 3.00 (# 1594:20 Double Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1903,1114,1115,1117,
igr2=1905,1906,1907,1909,1910,1911,1119,1120,1121,1123,
1124,1125,
&end
#
# 115 TYR HB- 122 LEU MDY 6.00 (# 1596:20 Unique 3.02, 6.01 A)
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1798,1799,
igr2=1905,1906,1907,1909,1910,1911,
&end
#
# 20 LYS HE+ 20 LYS HD- 3.00 (# 1607:20 Unique 2.36, 2.71 A)
&rst
ixpk= 1607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 304, 305,
igr2= 301, 302,
&end
#
# 20 LYS HA 20 LYS HD- 3.00 (# 1615:20 Unique 2.16, 3.12 A)
&rst
ixpk= 1615, nxpk= 20, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 301, 302,
&end
#
# 0 AMB 20-2:1616 20 LYS HD- 3.00 (# 1616:20 Single Ambig)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 298, 299, 295, 296,
igr2= 301, 302,
&end
#
# 0 AMB 20-2:1618 0 AMB 20-1:1618 4.00 (# 1618:20 Double Ambig)
&rst
ixpk= 1618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 293, 857,
igr2= 301, 302, 874, 875,
&end
#
# 0 AMB 20-2:1619 0 AMB 20-1:1619 3.00 (# 1619:20 Double Ambig)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 574, 575, 304, 305,
igr2= 568, 569, 301, 302,
&end
#
# 0 AMB 20-2:1620 0 AMB 20-1:1620 3.00 (# 1620:20 Double Ambig)
&rst
ixpk= 1620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 298, 299, 871, 872,
igr2= 301, 302, 874, 875, 874, 875,
&end
#
# 36 LYS HA 36 LYS HG+ 4.00 (# 1621:20 Unique 2.39, 3.01 A)
&rst
ixpk= 1621, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 568, 569,
&end
#
# 0 AMB 20-2:1622 0 AMB 20-1:1622 3.00 (# 1622:20 Double Ambig)
&rst
ixpk= 1622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 565, 566, 273, 274,
igr2= 568, 569, 301, 302,
&end
#
# 92 MET HA 143 LEU MDY 6.00 (# 1630:20 Unique 4.33, 7.07 A)
&rst
ixpk= 1630, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2236,2237,2238,2240,2241,2242,
&end
#
# 0 AMB 20-2:1633 0 AMB 20-1:1633 3.00 (# 1633:20 Double Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2286,2287, 913, 914,
igr2=2289,2290,2289,2290,
&end
#
# 35 PHE HA 36 LYS HG+ 6.00 (# 1637:20 Unique 3.24, 4.74 A)
&rst
ixpk= 1637, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 568, 569,
&end
#
# 0 AMB 20-2:1638 0 AMB 20-1:1638 4.00 (# 1638:20 Double Ambig)
&rst
ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 880, 881,2003,2004, 545, 546,
igr2= 874, 875, 568, 569, 568, 569,
&end
#
# 35 PHE HA 36 LYS HG+ 4.00 (# 1640:20 Unique 3.24, 4.74 A)
&rst
ixpk= 1640, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 568, 569,
&end
#
# 0 AMB 20-2:1651 143 LEU MDY 6.00 (# 1651:20 Single Ambig)
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2229,2248,
igr2=2236,2237,2238,2240,2241,2242,
&end
#
# 0 AMB 20-2:1652 39 LEU MDX 3.00 (# 1652:20 Single Ambig)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 619,1965,1966,1967,1969,1970,1971,
igr2= 621, 622, 623, 625, 626, 627,
&end
#
# 146 LYS HA 146 LYS HG+ 5.00 (# 1655:20 Unique 2.46, 3.27 A)
&rst
ixpk= 1655, nxpk= 20, iat=2284, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2289,2290,
&end
#
# 9 ILE QG2 55 LYS HG+ 4.00 (# 1657:20 Preassigned 3.15, 5.11 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 129, 130, 131,
igr2= 874, 875,
&end
#
# 95 LYS HA 95 LYS HG+ 4.00 (# 1658:20 Unique 2.41, 3.75 A)
&rst
ixpk= 1658, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1498,1499,
&end
#
# 0 AMB 20-2:1659 0 AMB 20-1:1659 3.00 (# 1659:20 Double Ambig)
&rst
ixpk= 1659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 326, 327,1504,1505,
igr2= 320, 321,1498,1499,
&end
#
# 0 AMB 20-2:1660 0 AMB 20-1:1660 3.00 (# 1660:20 Double Ambig)
&rst
ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 317, 318,1495,1496, 323, 324,
igr2= 320, 321,1498,1499, 320, 321,
&end
#
# 0 AMB 20-2:1664 39 LEU MDX 4.00 (# 1664:20 Single Ambig)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1958, 652,
igr2= 621, 622, 623, 625, 626, 627,
&end
#
# 0 AMB 20-2:1665 0 AMB 20-1:1665 3.00 (# 1665:20 Double Ambig)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1922,1923,1922,1923,
igr2= 621, 622, 623, 625, 626, 627,2236,2237,2238,2240,
2241,2242,
&end
#
# 123 MET HG- 0 AMB 20-1:1666 3.00 (# 1666:20 Single Ambig)
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1922,1923,
igr2= 621, 622, 623, 625, 626, 627,2236,2237,2238,2240,
2241,2242,
&end
#
# 0 AMB 20-2:1669 0 AMB 20-1:1669 3.00 (# 1669:20 Double Ambig)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1960,1961, 616, 617, 942, 943, 944, 946, 947, 948,
igr2= 621, 622, 623, 625, 626, 627,2236,2237,2238,2240,
2241,2242,
&end
#
# 0 AMB 20-2:1672 125 LEU MDY 3.00 (# 1672:20 Single Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 587, 588, 590, 591,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 0 AMB 20-2:1674 125 LEU MDY 3.00 (# 1674:20 Single Ambig)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1963,2056,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 21 LYS HA 21 LYS HG+ 3.00 (# 1677:20 Unique 2.28, 3.18 A)
&rst
ixpk= 1677, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 320, 321,
&end
#
# 21 LYS HA 21 LYS HG- 4.00 (# 1678:20 Unique 2.28, 3.18 A)
&rst
ixpk= 1678, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 320, 321,
&end
#
# 21 LYS HE- 21 LYS HG- 3.00 (# 1679:20 Unique 2.35, 3.45 A)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 326, 327,
igr2= 320, 321,
&end
#
# 0 AMB 20-2:1680 21 LYS HG- 3.00 (# 1680:20 Single Ambig)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 317, 318, 323, 324,
igr2= 320, 321,
&end
#
# 100 GLU HG- 112 LEU MDX 6.00 (# 1681:20 Unique 5.07, 8.64 A)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1600,1601,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 37 MET HG- 125 LEU MDY 3.00 (# 1686:20 Unique 2.24, 5.62 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 590, 591,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 0 AMB 20-2:1687 125 LEU MDY 3.00 (# 1687:20 Single Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1960,1961, 616, 617,1758,1759,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 0 AMB 20-2:1688 125 LEU MDY 3.00 (# 1688:20 Single Ambig)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1958,1775,1796,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 0 AMB 20-2:1689 125 LEU MDY 5.00 (# 1689:20 Single Ambig)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 585,1786,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 100 GLU HA 112 LEU MDX 4.00 (# 1696:20 Unique 4.00, 9.11 A)
&rst
ixpk= 1696, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 0 AMB 20-2:1697 112 LEU MDX 4.00 (# 1697:20 Single Ambig)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1595,2037,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 0 AMB 20-2:1699 112 LEU MDX 3.00 (# 1699:20 Single Ambig)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1761,1700,1701,1702,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 101 GLY HA+ 112 LEU MDX 4.00 (# 1700:20 Unique 2.53, 5.41 A)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1610,1611,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 0 AMB 20-2:1703 125 LEU MDY 3.00 (# 1703:20 Single Ambig)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 587, 588, 590, 591,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 0 AMB 20-2:1704 125 LEU MDY 3.00 (# 1704:20 Single Ambig)
&rst
ixpk= 1704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1963,2056,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 0 AMB 20-2:1717 0 AMB 20-1:1717 6.00 (# 1717:20 Double Ambig)
&rst
ixpk= 1717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1=1922,1923,1533,1534,1922,1923,
igr2= 659, 660, 661, 663, 664, 665,1905,1906,1907,1909,
1910,1911,
&end
#
# 0 AMB 20-2:1718 0 AMB 20-1:1718 4.00 (# 1718:20 Double Ambig)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1597,1598,1919,1920,1600,1601,
igr2=1763,1764,1765,1767,1768,1769,1905,1906,1907,1909,
1910,1911, 659, 660, 661, 663, 664, 665,
&end
#
# 0 AMB 20-2:1722 28 LEU MDX 3.00 (# 1722:20 Single Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 180, 181, 182, 184, 185, 186, 721, 722,
igr2= 451, 452, 453, 455, 456, 457,
&end
#
# 13 LYS HA 13 LYS HG+ 4.00 (# 1726:20 Unique 3.59, 3.83 A)
&rst
ixpk= 1726, nxpk= 20, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 197, 198,
&end
#
# 0 AMB 20-2:1727 0 AMB 20-1:1727 4.00 (# 1727:20 Double Ambig)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1922,1923, 493, 494,
igr2= 942, 943, 944, 946, 947, 948, 942, 943, 944, 946,
947, 948, 197, 198,
&end
#
# 0 AMB 20-2:1729 0 AMB 20-1:1729 6.00 (# 1729:20 Double Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1=1798,1799, 937, 938,1167,1168,
igr2=1905,1906,1907,1909,1910,1911, 659, 660, 661, 663,
664, 665,1119,1120,1121,1123,1124,1125,
&end
#
# 0 AMB 20-2:1731 0 AMB 20-1:1731 6.00 (# 1731:20 Double Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1200,1201,1922,1923,
igr2=1119,1120,1121,1123,1124,1125, 659, 660, 661, 663,
664, 665,
&end
#
# 92 MET HB- 143 LEU MDX 3.00 (# 1732:20 Unique 2.22, 4.88 A)
&rst
ixpk= 1732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1450,1451,
igr2=2236,2237,2238,2240,2241,2242,
&end
#
# 0 AMB 20-2:1733 0 AMB 20-1:1733 3.00 (# 1733:20 Double Ambig)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 234, 235, 446, 447, 942, 943, 944, 946, 947, 948,
942, 943, 944, 946, 947, 948,
igr2= 451, 452, 453, 455, 456, 457,2236,2237,2238,2240,
2241,2242,
&end
#
# 70 LEU HA 70 LEU MDY 4.00 (# 1741:20 Unique 2.14, 4.45 A)
&rst
ixpk= 1741, nxpk= 20, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1119,1120,1121,1123,1124,1125,
&end
#
# 0 AMB 20-2:1742 0 AMB 20-1:1742 3.00 (# 1742:20 Double Ambig)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1903,1114,1115,1117,1936,1937,
igr2=1905,1906,1907,1909,1910,1911,1119,1120,1121,1123,
1124,1125,
&end
#
# 0 AMB 20-2:1743 0 AMB 20-1:1743 5.00 (# 1743:20 Double Ambig)
&rst
ixpk= 1743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1919,1920,1919,1920,
igr2=1905,1906,1907,1909,1910,1911, 659, 660, 661, 663,
664, 665,
&end
#
# 0 AMB 20-2:1744 0 AMB 20-1:1744 6.00 (# 1744:20 Double Ambig)
&rst
ixpk= 1744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1798,1799,1922,1923,
igr2=1905,1906,1907,1909,1910,1911, 659, 660, 661, 663,
664, 665,
&end
#
# 0 AMB 20-2:1758 0 AMB 20-1:1758 6.00 (# 1758:20 Double Ambig)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1200,1201,1922,1923,
igr2=1119,1120,1121,1123,1124,1125, 659, 660, 661, 663,
664, 665,
&end
#
# 27 ARG HA 28 LEU MDX 5.00 (# 1759:20 Unique 2.35, 4.66 A)
&rst
ixpk= 1759, nxpk= 20, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 451, 452, 453, 455, 456, 457,
&end
#
# 0 AMB 20-2:1760 28 LEU MDX 6.00 (# 1760:20 Single Ambig)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 393, 245,
igr2= 451, 452, 453, 455, 456, 457,
&end
#
# 0 AMB 20-2:1761 28 LEU MDX 3.00 (# 1761:20 Single Ambig)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 226, 444,
igr2= 451, 452, 453, 455, 456, 457,
&end
#
# 0 AMB 20-2:1762 28 LEU MDX 5.00 (# 1762:20 Single Ambig)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 411, 412, 850, 851,
igr2= 451, 452, 453, 455, 456, 457,
&end
#
# 0 AMB 20-2:1763 0 AMB 20-1:1763 3.00 (# 1763:20 Double Ambig)
&rst
ixpk= 1763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 446, 447,1453,1454,
igr2= 451, 452, 453, 455, 456, 457,2236,2237,2238,2240,
2241,2242,
&end
#
# 92 MET HB- 143 LEU MDX 3.00 (# 1764:20 Unique 2.22, 4.88 A)
&rst
ixpk= 1764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1450,1451,
igr2=2236,2237,2238,2240,2241,2242,
&end
#
# 0 AMB 20-2:1765 0 AMB 20-1:1765 3.00 (# 1765:20 Double Ambig)
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 234, 235, 446, 447, 942, 943, 944, 946, 947, 948,
942, 943, 944, 946, 947, 948,
igr2= 451, 452, 453, 455, 456, 457,2236,2237,2238,2240,
2241,2242,
&end
#
# 132 LEU HB- 132 LEU MDX 3.00 (# 1767:20 Unique 2.20, 3.40 A)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2053,2054,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 114 ALA MB 132 LEU MDX 3.00 (# 1768:20 Unique 2.22, 4.14 A)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1788,1789,1790,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:1771 132 LEU MDX 3.00 (# 1771:20 Single Ambig)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2053,2054,2173,2174,1761,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:1772 132 LEU MDX 3.00 (# 1772:20 Single Ambig)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1963,2056,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:1773 132 LEU MDX 4.00 (# 1773:20 Single Ambig)
&rst
ixpk= 1773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,1519,1520,1521,1523,1524,1525,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:1783 0 AMB 20-1:1783 6.00 (# 1783:20 Double Ambig)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=2359,2360,2147,2148,
igr2=2335,2336,2337,2339,2340,2341,2133,2134,2135,2137,
2138,2139,
&end
#
# 148 LEU HA 148 LEU MDX 4.00 (# 1784:20 Unique 2.20, 4.70 A)
&rst
ixpk= 1784, nxpk= 20, iat=2328, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2335,2336,2337,2339,2340,2341,
&end
#
# 0 AMB 20-2:1785 0 AMB 20-1:1785 5.00 (# 1785:20 Double Ambig)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1552,2357,
igr2=2133,2134,2135,2137,2138,2139,2335,2336,2337,2339,
2340,2341,
&end
#
# 0 AMB 20-2:1787 0 AMB 20-1:1787 4.00 (# 1787:20 Double Ambig)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=2131,2308,2309,
igr2=2133,2134,2135,2137,2138,2139,2335,2336,2337,2339,
2340,2341,
&end
#
# 0 AMB 20-2:1788 0 AMB 20-1:1788 3.00 (# 1788:20 Double Ambig)
&rst
ixpk= 1788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 871, 872,1554,1555,
igr2=2335,2336,2337,2339,2340,2341,2133,2134,2135,2137,
2138,2139,
&end
#
# 148 LEU HB+ 148 LEU MDX 3.00 (# 1789:20 Unique 2.36, 3.36 A)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2330,2331,
igr2=2335,2336,2337,2339,2340,2341,
&end
#
# 0 AMB 20-2:1797 28 LEU MDX 3.00 (# 1797:20 Single Ambig)
&rst
ixpk= 1797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 180, 181, 182, 184, 185, 186, 721, 722,
igr2= 451, 452, 453, 455, 456, 457,
&end
#
# 0 AMB 20-2:1799 28 LEU MDX 5.00 (# 1799:20 Single Ambig)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 411, 412, 850, 851,
igr2= 451, 452, 453, 455, 456, 457,
&end
#
# 26 SER HB- 28 LEU MDX 6.00 (# 1806:20 Unique 2.54, 5.42 A)
&rst
ixpk= 1806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 411, 412,
igr2= 451, 452, 453, 455, 456, 457,
&end
#
# 139 SER HB- 141 VAL MGX 4.00 (# 1818:20 Unique 2.44, 7.22 A)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2159,2160,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 139 SER HB+ 141 VAL MGX 4.00 (# 1819:20 Unique 2.44, 7.22 A)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2159,2160,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 141 VAL HA 141 VAL MGX 3.00 (# 1820:20 Unique 2.22, 3.43 A)
&rst
ixpk= 1820, nxpk= 20, iat=2192, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 141 VAL HB 141 VAL MGX 3.00 (# 1822:20 Unique 2.34, 2.65 A)
&rst
ixpk= 1822, nxpk= 20, iat=2194, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 96 VAL MGY 141 VAL MGX 3.00 (# 1823:20 Unique 2.34, 6.96 A)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1519,1520,1521,1523,1524,1525,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 0 AMB 20-2:1824 141 VAL MGX 3.00 (# 1824:20 Single Ambig)
&rst
ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1519,1520,1521,1523,1524,1525,1821,1822,1823,1825,
1826,1827,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 59 VAL HA 59 VAL MGY 3.00 (# 1833:20 Unique 2.22, 3.25 A)
&rst
ixpk= 1833, nxpk= 20, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 958, 959, 960, 962, 963, 964,
&end
#
# 8 ASP HB- 59 VAL MGY 6.00 (# 1834:20 Unique 6.44, 8.27 A)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 115, 116,
igr2= 958, 959, 960, 962, 963, 964,
&end
#
# 7 GLU HG+ 59 VAL MGY 3.00 (# 1836:20 Unique 2.30, 4.63 A)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 103, 104,
igr2= 958, 959, 960, 962, 963, 964,
&end
#
# 7 GLU HB- 59 VAL MGY 3.00 (# 1837:20 Unique 2.17, 4.78 A)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 100, 101,
igr2= 958, 959, 960, 962, 963, 964,
&end
#
# 14 ASP HA 12 VAL MGX 5.00 (# 1840:20 Unique 4.37, 6.35 A)
&rst
ixpk= 1840, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:1845 0 AMB 20-1:1845 5.00 (# 1845:20 Double Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
igr1= 339, 340, 919, 920, 304, 305,
igr2= 397, 398, 399, 401, 402, 403, 958, 959, 960, 962,
963, 964,
&end
#
# 115 TYR HB- 96 VAL MGX 6.00 (# 1846:20 Unique 4.48, 7.61 A)
&rst
ixpk= 1846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1798,1799,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 95 LYS HA 96 VAL MGY 4.00 (# 1848:20 Unique 3.55, 5.57 A)
&rst
ixpk= 1848, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 116 VAL HA 96 VAL MGY 5.00 (# 1849:20 Preassigned 3.25, 4.83 A)
&rst
ixpk= 1849, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 139 SER HB- 96 VAL MGY 4.00 (# 1850:20 Unique 2.16, 7.12 A)
&rst
ixpk= 1850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2159,2160,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 0 AMB 20-2:1851 25 VAL MGX 5.00 (# 1851:20 Single Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 369, 713,
igr2= 397, 398, 399, 401, 402, 403,
&end
#
# 0 AMB 20-2:1852 0 AMB 20-1:1852 3.00 (# 1852:20 Double Ambig)
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 956,2292,2293, 374, 375,
igr2= 958, 959, 960, 962, 963, 964, 397, 398, 399, 401,
402, 403,
&end
#
# 0 AMB 20-2:1856 0 AMB 20-1:1856 5.00 (# 1856:20 Double Ambig)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 369, 713,2094,
igr2= 397, 398, 399, 401, 402, 403,1519,1520,1521,1523,
1524,1525,
&end
#
# 0 AMB 20-2:1857 0 AMB 20-1:1857 3.00 (# 1857:20 Double Ambig)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2129, 339, 340,
igr2=1519,1520,1521,1523,1524,1525, 397, 398, 399, 401,
402, 403,
&end
#
# 0 AMB 20-2:1861 0 AMB 20-1:1861 3.00 (# 1861:20 Double Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1698,1098,1720,
igr2=1648,1649,1650,1102,1103,1104,1722,1723,1724,
&end
#
# 28 LEU HA 12 VAL MGY 4.00 (# 1862:20 Preassigned 3.43, 4.86 A)
&rst
ixpk= 1862, nxpk= 20, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:1863 12 VAL MGY 5.00 (# 1863:20 Single Ambig)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 850, 851, 850, 851,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:1864 12 VAL MGY 5.00 (# 1864:20 Single Ambig)
&rst
ixpk= 1864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 893, 894, 465, 466,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:1865 12 VAL MGY 5.00 (# 1865:20 Single Ambig)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 770, 771, 770, 771,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 12 VAL HB 12 VAL MGY 3.00 (# 1866:20 Unique 2.29, 2.65 A)
&rst
ixpk= 1866, nxpk= 20, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:1868 12 VAL MGY 3.00 (# 1868:20 Single Ambig)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 237, 238, 239, 659, 660, 661, 663, 664, 665,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:1869 12 VAL MGY 3.00 (# 1869:20 Single Ambig)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 451, 452, 453, 455, 456, 457, 449,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:1870 0 AMB 20-1:1870 3.00 (# 1870:20 Double Ambig)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1515,1552,
igr2=1519,1520,1521,1523,1524,1525,2133,2134,2135,2137,
2138,2139,
&end
#
# 96 VAL HB 0 AMB 20-1:1871 3.00 (# 1871:20 Single Ambig)
&rst
ixpk= 1871, nxpk= 20, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=2133,2134,2135,2137,2138,2139,1519,1520,1521,1523,
1524,1525,
&end
#
# 0 AMB 20-2:1872 96 VAL MGY 3.00 (# 1872:20 Single Ambig)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 0 AMB 20-2:1874 0 AMB 20-1:1874 3.00 (# 1874:20 Double Ambig)
&rst
ixpk= 1874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1361,1362, 395,2131,
igr2= 958, 959, 960, 962, 963, 964, 397, 398, 399, 401,
402, 403,1519,1520,1521,1523,1524,1525,
&end
#
# 44 ASN HA 25 VAL MGX 3.00 (# 1875:20 Unique 2.10, 3.44 A)
&rst
ixpk= 1875, nxpk= 20, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 397, 398, 399, 401, 402, 403,
&end
#
# 0 AMB 20-2:1876 0 AMB 20-1:1876 3.00 (# 1876:20 Double Ambig)
&rst
ixpk= 1876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 393,1817,
igr2= 397, 398, 399, 401, 402, 403,1519,1520,1521,1523,
1524,1525,
&end
#
# 96 VAL HA 0 AMB 20-1:1877 3.00 (# 1877:20 Single Ambig)
&rst
ixpk= 1877, nxpk= 20, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1821,1822,1823,1825,1826,1827,1519,1520,1521,1523,
1524,1525,
&end
#
# 0 AMB 20-2:1886 0 AMB 20-1:1886 3.00 (# 1886:20 Double Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1226,1228,1669,1671,
igr2=1230,1231,1232,1673,1674,1675,
&end
#
# 0 AMB 20-2:1891 0 AMB 20-1:1891 5.00 (# 1891:20 Double Ambig)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
igr1= 339, 340, 919, 920, 304, 305,
igr2= 397, 398, 399, 401, 402, 403, 958, 959, 960, 962,
963, 964,
&end
#
# 0 AMB 20-2:1892 0 AMB 20-1:1892 3.00 (# 1892:20 Double Ambig)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
igr2=1519,1520,1521,1523,1524,1525,1821,1822,1823,1825,
1826,1827,
&end
#
# 96 VAL HB 96 VAL MGX 3.00 (# 1910:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1910, nxpk= 20, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 46 GLN HG- 25 VAL MGX 6.00 (# 1911:20 Unique 4.02, 7.10 A)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 737, 738,
igr2= 397, 398, 399, 401, 402, 403,
&end
#
# 95 LYS HA 116 VAL MGX 5.00 (# 1923:20 Unique 3.58, 5.89 A)
&rst
ixpk= 1923, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 0 AMB 20-2:1924 116 VAL MGX 3.00 (# 1924:20 Single Ambig)
&rst
ixpk= 1924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1817,1844,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 94 GLY HA+ 116 VAL MGX 5.00 (# 1925:20 Unique 3.00, 6.88 A)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1486,1487,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 94 GLY HA- 116 VAL MGX 5.00 (# 1926:20 Unique 3.00, 6.88 A)
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1486,1487,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 0 AMB 20-2:1927 116 VAL MGX 3.00 (# 1927:20 Single Ambig)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1819,2170,2171,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 96 VAL MGY 116 VAL MGX 4.00 (# 1928:20 Unique 2.22, 5.27 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1519,1520,1521,1523,1524,1525,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 96 VAL HA 116 VAL MGX 4.00 (# 1934:20 Unique 2.09, 3.83 A)
&rst
ixpk= 1934, nxpk= 20, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 2 ALA MB 63 THR MG2 5.00 (# 1935:20 Unique 2.33, 5.39 A)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 25, 26, 27,
igr2=1014,1015,1016,
&end
#
# 114 ALA HA 114 ALA MB 3.00 (# 1937:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1937, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1788,1789,1790,
&end
#
# 65 TYR HB- 63 THR MG2 6.00 (# 1940:20 Unique 2.08, 4.53 A)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1045,1046,
igr2=1014,1015,1016,
&end
#
# 65 TYR HA 63 THR MG2 4.00 (# 1942:20 Unique 3.02, 4.82 A)
&rst
ixpk= 1942, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1014,1015,1016,
&end
#
# 0 AMB 20-2:1945 114 ALA MB 5.00 (# 1945:20 Single Ambig)
&rst
ixpk= 1945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1775,1796,
igr2=1788,1789,1790,
&end
#
# 148 LEU HA 149 ALA MB 5.00 (# 1956:20 Unique 4.16, 4.90 A)
&rst
ixpk= 1956, nxpk= 20, iat=2328, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2349,2350,2351,
&end
#
# 149 ALA HA 149 ALA MB 3.00 (# 1958:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1958, nxpk= 20, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2349,2350,2351,
&end
#
# 0 AMB 20-2:1961 45 ILE QG2 4.00 (# 1961:20 Single Ambig)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 699, 409,
igr2= 717, 718, 719,
&end
#
# 0 AMB 20-2:1962 45 ILE QG2 5.00 (# 1962:20 Single Ambig)
&rst
ixpk= 1962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 393, 420,
igr2= 717, 718, 719,
&end
#
# 45 ILE HA 45 ILE QG2 5.00 (# 1963:20 Unique 2.23, 3.10 A)
&rst
ixpk= 1963, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 717, 718, 719,
&end
#
# 26 SER HB- 45 ILE QG2 3.00 (# 1964:20 Unique 2.11, 4.06 A)
&rst
ixpk= 1964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 411, 412,
igr2= 717, 718, 719,
&end
#
# 45 ILE HG1- 45 ILE QG2 3.00 (# 1965:20 Unique 2.01, 2.85 A)
&rst
ixpk= 1965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 721, 722,
igr2= 717, 718, 719,
&end
#
# 0 AMB 20-2:1966 45 ILE QG2 5.00 (# 1966:20 Single Ambig)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 446, 447, 259, 260, 371, 372, 425, 426,
igr2= 717, 718, 719,
&end
#
# 0 AMB 20-2:1970 108 ALA MB 6.00 (# 1970:20 Single Ambig)
&rst
ixpk= 1970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1634,1635,1688,1689,
igr2=1700,1701,1702,
&end
#
# 107 GLU HB- 108 ALA MB 6.00 (# 1971:20 Preassigned 3.69, 6.24 A)
&rst
ixpk= 1971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1685,1686,
igr2=1700,1701,1702,
&end
#
# 26 SER HB+ 45 ILE QG2 4.00 (# 1973:20 Unique 2.11, 4.06 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 411, 412,
igr2= 717, 718, 719,
&end
#
# 0 AMB 20-2:1976 45 ILE QG2 4.00 (# 1976:20 Single Ambig)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 230, 231, 232, 724, 725, 726,
igr2= 717, 718, 719,
&end
#
# 0 AMB 20-2:1977 45 ILE QG2 3.00 (# 1977:20 Single Ambig)
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 451, 452, 453, 455, 456, 457, 449,
igr2= 717, 718, 719,
&end
#
# 3 GLY HA- 2 ALA MB 5.00 (# 1978:20 Unique 4.23, 5.41 A)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 33, 34,
igr2= 25, 26, 27,
&end
#
# 0 AMB 20-2:1985 2 ALA MB 3.00 (# 1985:20 Single Ambig)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 23,1100,
igr2= 25, 26, 27,
&end
#
# 63 THR MG2 2 ALA MB 5.00 (# 1986:20 Unique 2.33, 5.39 A)
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1014,1015,1016,
igr2= 25, 26, 27,
&end
#
# 108 ALA HA 108 ALA MB 3.00 (# 1989:20 Unique 2.29, 2.65 A)
&rst
ixpk= 1989, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1700,1701,1702,
&end
#
# 59 VAL MGX 61 ALA MB 3.00 (# 1992:20 Unique 2.32, 7.90 A)
&rst
ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 958, 959, 960, 962, 963, 964,
igr2= 991, 992, 993,
&end
#
# 129 ALA HA 129 ALA MB 3.00 (# 1995:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1995, nxpk= 20, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2015,2016,2017,
&end
#
# 130 ASN HA 129 ALA MB 4.00 (# 2001:20 Unique 4.20, 4.91 A)
&rst
ixpk= 2001, nxpk= 20, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2015,2016,2017,
&end
#
# 0 AMB 20-2:2002 129 ALA MB 4.00 (# 2002:20 Single Ambig)
&rst
ixpk= 2002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2025,2026,2025,2026,
igr2=2015,2016,2017,
&end
#
# 0 AMB 20-2:2004 129 ALA MB 3.00 (# 2004:20 Single Ambig)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
igr2=2015,2016,2017,
&end
#
# 85 ALA HA 85 ALA MB 3.00 (# 2007:20 Unique 2.35, 2.67 A)
&rst
ixpk= 2007, nxpk= 20, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1339,1340,1341,
&end
#
# 95 LYS HA 141 VAL MGY 4.00 (# 2024:20 Unique 2.14, 4.34 A)
&rst
ixpk= 2024, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 140 ARG HA 141 VAL MGY 4.00 (# 2025:20 Preassigned 3.54, 5.27 A)
&rst
ixpk= 2025, nxpk= 20, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 141 VAL HA 141 VAL MGY 3.00 (# 2026:20 Unique 2.22, 3.43 A)
&rst
ixpk= 2026, nxpk= 20, iat=2192, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 141 VAL HB 141 VAL MGY 3.00 (# 2028:20 Unique 2.34, 2.65 A)
&rst
ixpk= 2028, nxpk= 20, iat=2194, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 9 ILE HA 9 ILE QG2 3.00 (# 2029:20 Unique 2.73, 3.43 A)
&rst
ixpk= 2029, nxpk= 20, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 129, 130, 131,
&end
#
# 0 AMB 20-2:2030 9 ILE QG2 5.00 (# 2030:20 Single Ambig)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 144,2328,
igr2= 129, 130, 131,
&end
#
# 0 AMB 20-2:2031 9 ILE QG2 5.00 (# 2031:20 Single Ambig)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 522, 523, 115, 116,
igr2= 129, 130, 131,
&end
#
# 33 GLU HB+ 9 ILE QG2 5.00 (# 2032:20 Unique 2.84, 4.68 A)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 519, 520,
igr2= 129, 130, 131,
&end
#
# 0 AMB 20-2:2033 9 ILE QG2 3.00 (# 2033:20 Single Ambig)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 871, 872, 133, 134,
igr2= 129, 130, 131,
&end
#
# 55 LYS HB+ 9 ILE QG2 4.00 (# 2034:20 Unique 2.26, 4.31 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 871, 872,
igr2= 129, 130, 131,
&end
#
# 0 AMB 20-2:2035 9 ILE QG2 3.00 (# 2035:20 Single Ambig)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 127,2330,2331, 874, 875,
igr2= 129, 130, 131,
&end
#
# 96 VAL MGY 141 VAL MGY 3.00 (# 2037:20 Unique 2.34, 6.96 A)
&rst
ixpk= 2037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1519,1520,1521,1523,1524,1525,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 0 AMB 20-2:2038 141 VAL MGY 3.00 (# 2038:20 Single Ambig)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1519,1520,1521,1523,1524,1525,1821,1822,1823,1825,
1826,1827,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 0 AMB 20-2:2042 47 ILE QG2 6.00 (# 2042:20 Single Ambig)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 734, 735, 715,
igr2= 753, 754, 755,
&end
#
# 47 ILE HG1- 47 ILE QG2 3.00 (# 2044:20 Unique 2.28, 3.40 A)
&rst
ixpk= 2044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 757, 758,
igr2= 753, 754, 755,
&end
#
# 48 TYR HA 47 ILE QG2 5.00 (# 2049:20 Unique 3.84, 5.28 A)
&rst
ixpk= 2049, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 753, 754, 755,
&end
#
# 47 ILE HA 47 ILE QG2 3.00 (# 2050:20 Unique 2.39, 3.03 A)
&rst
ixpk= 2050, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 753, 754, 755,
&end
#
# 0 AMB 20-2:2051 47 ILE QG2 3.00 (# 2051:20 Single Ambig)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 751,2308,2309,
igr2= 753, 754, 755,
&end
#
# 57 ARG HB+ 9 ILE QG2 5.00 (# 2052:20 Unique 3.82, 5.81 A)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 913, 914,
igr2= 129, 130, 131,
&end
#
# 47 ILE HG1- 47 ILE QG2 4.00 (# 2056:20 Unique 2.28, 3.40 A)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 757, 758,
igr2= 753, 754, 755,
&end
#
# 26 SER HB- 15 ILE QG2 6.00 (# 2058:20 Unique 2.66, 4.19 A)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 411, 412,
igr2= 230, 231, 232,
&end
#
# 0 AMB 20-2:2059 0 AMB 20-1:2059 3.00 (# 2059:20 Double Ambig)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 234, 235,1584,1585,
igr2= 230, 231, 232,1580,1581,1582,
&end
#
# 0 AMB 20-2:2063 0 AMB 20-1:2063 3.00 (# 2063:20 Double Ambig)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 259, 260,2131,
igr2= 230, 231, 232,1580,1581,1582,
&end
#
# 15 ILE HA 15 ILE QG2 3.00 (# 2066:20 Unique 2.48, 3.23 A)
&rst
ixpk= 2066, nxpk= 20, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 230, 231, 232,
&end
#
# 0 AMB 20-2:2067 15 ILE QG2 3.00 (# 2067:20 Single Ambig)
&rst
ixpk= 2067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 256, 257, 411, 412,
igr2= 230, 231, 232,
&end
#
# 0 AMB 20-2:2068 0 AMB 20-1:2068 3.00 (# 2068:20 Double Ambig)
&rst
ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1578, 228,
igr2=1580,1581,1582, 230, 231, 232,
&end
#
# 0 AMB 20-2:2070 0 AMB 20-1:2070 4.00 (# 2070:20 Double Ambig)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 245,1786,
igr2= 230, 231, 232,1580,1581,1582,
&end
#
# 27 ARG HD+ 40 ILE QG2 3.00 (# 2072:20 Unique 2.65, 4.40 A)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 428, 429,
igr2= 637, 638, 639,
&end
#
# 0 AMB 20-2:2073 40 ILE QG2 4.00 (# 2073:20 Single Ambig)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 673, 674, 465, 466,
igr2= 637, 638, 639,
&end
#
# 0 AMB 20-2:2074 40 ILE QG2 3.00 (# 2074:20 Single Ambig)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1936,1937, 641, 642, 635,
igr2= 637, 638, 639,
&end
#
# 0 AMB 20-2:2085 45 ILE QD1 6.00 (# 2085:20 Single Ambig)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 377, 378, 701, 702,
igr2= 724, 725, 726,
&end
#
# 26 SER HB+ 45 ILE QD1 5.00 (# 2091:20 Unique 2.43, 4.94 A)
&rst
ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 411, 412,
igr2= 724, 725, 726,
&end
#
# 24 ARG HB+ 45 ILE QD1 4.00 (# 2094:20 Unique 2.00, 3.42 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 371, 372,
igr2= 724, 725, 726,
&end
#
# 0 AMB 20-2:2095 45 ILE QD1 3.00 (# 2095:20 Single Ambig)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 369, 732,
igr2= 724, 725, 726,
&end
#
# 0 AMB 20-2:2096 45 ILE QD1 4.00 (# 2096:20 Single Ambig)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 715, 734, 735,
igr2= 724, 725, 726,
&end
#
# 45 ILE HG1- 45 ILE QD1 3.00 (# 2097:20 Unique 2.16, 2.64 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 721, 722,
igr2= 724, 725, 726,
&end
#
# 45 ILE QG2 45 ILE QD1 4.00 (# 2098:20 Unique 2.52, 4.52 A)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 717, 718, 719,
igr2= 724, 725, 726,
&end
#
# 14 ASP HA 15 ILE QD1 3.00 (# 2101:20 Unique 2.51, 3.96 A)
&rst
ixpk= 2101, nxpk= 20, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 237, 238, 239,
&end
#
# 0 AMB 20-2:2103 15 ILE QD1 5.00 (# 2103:20 Single Ambig)
&rst
ixpk= 2103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 850, 851, 850, 851,
igr2= 237, 238, 239,
&end
#
# 0 AMB 20-2:2105 0 AMB 20-1:2105 3.00 (# 2105:20 Double Ambig)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1554,1555, 228,1578,
igr2=1587,1588,1589, 237, 238, 239,
&end
#
# 0 AMB 20-2:2106 0 AMB 20-1:2106 3.00 (# 2106:20 Double Ambig)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1557,1558,1584,1585, 234, 235,
igr2=1587,1588,1589, 237, 238, 239,
&end
#
# 44 ASN HB+ 47 ILE QD1 4.00 (# 2109:20 Unique 2.61, 5.28 A)
&rst
ixpk= 2109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 701, 702,
igr2= 760, 761, 762,
&end
#
# 150 PHE HB+ 9 ILE QD1 6.00 (# 2110:20 Unique 2.29, 8.15 A)
&rst
ixpk= 2110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2359,2360,
igr2= 136, 137, 138,
&end
#
# 47 ILE HA 47 ILE QD1 4.00 (# 2111:20 Unique 4.13, 4.85 A)
&rst
ixpk= 2111, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 760, 761, 762,
&end
#
# 47 ILE HG1+ 47 ILE QD1 3.00 (# 2112:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 757, 758,
igr2= 760, 761, 762,
&end
#
# 44 ASN HB- 47 ILE QD1 4.00 (# 2113:20 Unique 2.61, 5.28 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 701, 702,
igr2= 760, 761, 762,
&end
#
# 0 AMB 20-2:2114 47 ILE QD1 6.00 (# 2114:20 Single Ambig)
&rst
ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 737, 738, 734, 735,
igr2= 760, 761, 762,
&end
#
# 47 ILE HG1- 47 ILE QD1 3.00 (# 2115:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 757, 758,
igr2= 760, 761, 762,
&end
#
# 0 AMB 20-2:2116 9 ILE QD1 3.00 (# 2116:20 Single Ambig)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 127,2330,2331,
igr2= 136, 137, 138,
&end
#
# 0 AMB 20-2:2118 9 ILE QD1 3.00 (# 2118:20 Single Ambig)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 125, 911,
igr2= 136, 137, 138,
&end
#
# 9 ILE HG1- 9 ILE QD1 3.00 (# 2119:20 Unique 2.33, 2.65 A)
&rst
ixpk= 2119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 133, 134,
igr2= 136, 137, 138,
&end
#
# 47 ILE HB 47 ILE QD1 4.00 (# 2122:20 Unique 2.28, 2.90 A)
&rst
ixpk= 2122, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 760, 761, 762,
&end
#
# 29 HIS HB+ 40 ILE QD1 6.00 (# 2127:20 Unique 2.25, 4.47 A)
&rst
ixpk= 2127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 465, 466,
igr2= 644, 645, 646,
&end
#
# 0 AMB 20-2:2128 40 ILE QD1 6.00 (# 2128:20 Single Ambig)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 247, 248, 216, 217,
igr2= 644, 645, 646,
&end
#
# 40 ILE HG1- 40 ILE QD1 3.00 (# 2129:20 Unique 2.28, 2.63 A)
&rst
ixpk= 2129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 641, 642,
igr2= 644, 645, 646,
&end
#
# 70 LEU HN 69 THR HB 3.00 (# 2132:20 Unique 2.66, 2.99 A)
&rst
ixpk= 2132, nxpk= 20, iat=1110,1100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 110 THR HN 110 THR HB 4.00 (# 2133:20 Unique 2.47, 3.13 A)
&rst
ixpk= 2133, nxpk= 20, iat=1716,1720, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 ARG HN 110 THR HB 4.00 (# 2134:20 Unique 2.36, 3.22 A)
&rst
ixpk= 2134, nxpk= 20, iat=1730,1720, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2135 106 THR HB 5.00 (# 2135:20 Single Ambig)
&rst
ixpk= 2135, nxpk= 20, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1681,1667,
&end
#
# 26 SER HN 26 SER HB+ 4.00 (# 2136:20 Unique 2.52, 3.50 A)
&rst
ixpk= 2136, nxpk= 20, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 411, 412,
&end
#
# 26 SER HN 26 SER HB- 4.00 (# 2137:20 Unique 2.52, 3.50 A)
&rst
ixpk= 2137, nxpk= 20, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 411, 412,
&end
#
# 0 AMB 20-2:2139 137 VAL HA 5.00 (# 2139:20 Single Ambig)
&rst
ixpk= 2139, nxpk= 20, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2155,2112,
&end
#
# 0 AMB 20-2:2140 137 VAL HA 3.00 (# 2140:20 Single Ambig)
&rst
ixpk= 2140, nxpk= 20, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2127,2143,
&end
#
# 115 TYR HE 113 SER HB- 4.00 (# 2141:20 Unique 4.12, 6.16 A)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1804,1809,
igr2=1777,1778,
&end
#
# 114 ALA HN 113 SER HB+ 3.00 (# 2142:20 Preassigned 3.14, 3.63 A)
&rst
ixpk= 2142, nxpk= 20, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1777,1778,
&end
#
# 113 SER HN 113 SER HB+ 5.00 (# 2143:20 Unique 2.87, 3.52 A)
&rst
ixpk= 2143, nxpk= 20, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1777,1778,
&end
#
# 115 TYR HE 113 SER HB+ 4.00 (# 2144:20 Unique 4.12, 6.16 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1804,1809,
igr2=1777,1778,
&end
#
# 114 ALA HN 113 SER HB- 4.00 (# 2145:20 Unique 3.14, 3.63 A)
&rst
ixpk= 2145, nxpk= 20, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1777,1778,
&end
#
# 83 SER HN 83 SER HB+ 3.00 (# 2147:20 Unique 2.22, 2.96 A)
&rst
ixpk= 2147, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1304,1305,
&end
#
# 97 TYR HD 117 SER HB+ 4.00 (# 2150:20 Unique 2.47, 5.76 A)
&rst
ixpk= 2150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1537,1546,
igr2=1835,1836,
&end
#
# 117 SER HA 117 SER HB+ 3.00 (# 2152:20 Unique 2.20, 2.48 A)
&rst
ixpk= 2152, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1835,1836,
&end
#
# 12 VAL HN 12 VAL HA 6.00 (# 2153:20 Unique 2.87, 2.90 A)
&rst
ixpk= 2153, nxpk= 20, iat= 174, 176, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 140 ARG HN 139 SER HB- 3.00 (# 2154:20 Unique 2.36, 3.80 A)
&rst
ixpk= 2154, nxpk= 20, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2159,2160,
&end
#
# 0 AMB 20-2:2155 139 SER HB- 3.00 (# 2155:20 Single Ambig)
&rst
ixpk= 2155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2112,2155,
igr2=2159,2160,
&end
#
# 140 ARG HN 139 SER HB+ 3.00 (# 2156:20 Unique 2.36, 3.80 A)
&rst
ixpk= 2156, nxpk= 20, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2159,2160,
&end
#
# 0 AMB 20-2:2157 0 AMB 20-1:2157 3.00 (# 2157:20 Double Ambig)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2112,2155,
igr2=2159,2160,2159,2160,
&end
#
# 13 LYS HN 12 VAL HA 3.00 (# 2159:20 Unique 1.99, 2.11 A)
&rst
ixpk= 2159, nxpk= 20, iat= 190, 176, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2160 12 VAL HA 4.00 (# 2160:20 Single Ambig)
&rst
ixpk= 2160, nxpk= 20, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 212, 162,
&end
#
# 30 CYS HA 12 VAL HA 4.00 (# 2161:20 Unique 1.96, 2.07 A)
&rst
ixpk= 2161, nxpk= 20, iat= 480, 176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2162 0 AMB 20-1:2162 3.00 (# 2162:20 Double Ambig)
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1667,1656,1681,
igr2=1660,1661,1660,1661,1660,1661,
&end
#
# 0 AMB 20-2:2163 77 PRO HA 4.00 (# 2163:20 Single Ambig)
&rst
ixpk= 2163, nxpk= 20, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1224,1238,
&end
#
# 0 AMB 20-2:2165 105 SER HB- 4.00 (# 2165:20 Single Ambig)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1667,1656,1681,
igr2=1660,1661,
&end
#
# 83 SER HN 82 PRO HA 3.00 (# 2167:20 Unique 2.36, 3.06 A)
&rst
ixpk= 2167, nxpk= 20, iat=1300,1296, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 SER HN 34 SER HB+ 4.00 (# 2168:20 Unique 2.41, 3.13 A)
&rst
ixpk= 2168, nxpk= 20, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 534, 535,
&end
#
# 35 PHE HN 34 SER HB+ 4.00 (# 2169:20 Unique 2.47, 3.42 A)
&rst
ixpk= 2169, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 534, 535,
&end
#
# 35 PHE HD 34 SER HB+ 5.00 (# 2170:20 Unique 2.39, 4.76 A)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 549, 557,
igr2= 534, 535,
&end
#
# 34 SER HN 34 SER HB- 6.00 (# 2171:20 Unique 2.41, 3.13 A)
&rst
ixpk= 2171, nxpk= 20, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 534, 535,
&end
#
# 35 PHE HN 34 SER HB- 4.00 (# 2172:20 Unique 2.47, 3.42 A)
&rst
ixpk= 2172, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 534, 535,
&end
#
# 35 PHE HD 34 SER HB- 5.00 (# 2173:20 Unique 2.39, 4.76 A)
&rst
ixpk= 2173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 549, 557,
igr2= 534, 535,
&end
#
# 110 THR HN 110 THR HA 4.00 (# 2174:20 Unique 2.30, 2.82 A)
&rst
ixpk= 2174, nxpk= 20, iat=1716,1718, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 LEU HN 110 THR HA 6.00 (# 2175:20 Unique 6.12, 6.59 A)
&rst
ixpk= 2175, nxpk= 20, iat=1754,1718, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 LEU HN 69 THR HA 4.00 (# 2176:20 Unique 1.89, 3.02 A)
&rst
ixpk= 2176, nxpk= 20, iat=1110,1098, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 THR HN 69 THR HA 3.00 (# 2177:20 Unique 2.64, 2.75 A)
&rst
ixpk= 2177, nxpk= 20, iat=1096,1098, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 111 ARG HN 110 THR HA 3.00 (# 2178:20 Unique 3.32, 3.50 A)
&rst
ixpk= 2178, nxpk= 20, iat=1730,1718, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2179 106 THR HA 3.00 (# 2179:20 Single Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1667,1681,
&end
#
# 97 TYR HD 96 VAL HA 6.00 (# 2181:20 Unique 2.84, 6.28 A)
&rst
ixpk= 2181, nxpk= 20, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1537,1546,
&end
#
# 0 AMB 20-2:2182 96 VAL HA 3.00 (# 2182:20 Single Ambig)
&rst
ixpk= 2182, nxpk= 20, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1529,1513,
&end
#
# 48 TYR HN 47 ILE HA 4.00 (# 2186:20 Unique 3.41, 3.52 A)
&rst
ixpk= 2186, nxpk= 20, iat= 766, 749, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 ILE HN 47 ILE HA 4.00 (# 2187:20 Unique 2.81, 2.86 A)
&rst
ixpk= 2187, nxpk= 20, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 THR HN 104 THR HA 4.00 (# 2189:20 Unique 2.12, 2.86 A)
&rst
ixpk= 2189, nxpk= 20, iat=1642,1644, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 SER HN 104 THR HA 4.00 (# 2190:20 Unique 2.09, 2.68 A)
&rst
ixpk= 2190, nxpk= 20, iat=1656,1644, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2191 78 THR HA 3.00 (# 2191:20 Single Ambig)
&rst
ixpk= 2191, nxpk= 20, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1224,1238,
&end
#
# 48 TYR HN 45 ILE HA 4.00 (# 2192:20 Unique 2.92, 3.47 A)
&rst
ixpk= 2192, nxpk= 20, iat= 766, 713, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 GLU HN 33 GLU HA 3.00 (# 2196:20 Unique 2.27, 2.43 A)
&rst
ixpk= 2196, nxpk= 20, iat= 515, 517, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 139 SER HN 139 SER HA 3.00 (# 2198:20 Unique 2.68, 2.87 A)
&rst
ixpk= 2198, nxpk= 20, iat=2155,2157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 150 PHE HN 150 PHE HA 3.00 (# 2200:20 Unique 2.27, 2.88 A)
&rst
ixpk= 2200, nxpk= 20, iat=2355,2357, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 GLU HN 6 PHE HA 3.00 (# 2201:20 Preassigned 2.10, 2.22 A)
&rst
ixpk= 2201, nxpk= 20, iat= 96, 78, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 135 PHE HD 135 PHE HA 5.00 (# 2202:20 Unique 2.33, 3.51 A)
&rst
ixpk= 2202, nxpk= 20, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2100,2108,
&end
#
# 0 AMB 20-2:2203 105 SER HA 3.00 (# 2203:20 Single Ambig)
&rst
ixpk= 2203, nxpk= 20, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1667,1656,
&end
#
# 136 GLU HN 135 PHE HA 3.00 (# 2204:20 Unique 2.13, 3.24 A)
&rst
ixpk= 2204, nxpk= 20, iat=2112,2094, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 135 PHE HN 135 PHE HA 4.00 (# 2205:20 Unique 2.17, 2.76 A)
&rst
ixpk= 2205, nxpk= 20, iat=2092,2094, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 ILE HN 46 GLN HA 4.00 (# 2207:20 Unique 3.27, 3.35 A)
&rst
ixpk= 2207, nxpk= 20, iat= 747, 732, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 148 LEU HN 147 LYS HA 3.00 (# 2208:20 Unique 2.22, 2.41 A)
&rst
ixpk= 2208, nxpk= 20, iat=2326,2306, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 76 ASN HN 75 TYR HA 3.00 (# 2210:20 Unique 2.10, 2.34 A)
&rst
ixpk= 2210, nxpk= 20, iat=1196,1177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 75 TYR HD 75 TYR HA 3.00 (# 2211:20 Unique 2.33, 3.49 A)
&rst
ixpk= 2211, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1183,1192,
&end
#
# 134 GLY HN 133 HIS HA 3.00 (# 2215:20 Unique 2.05, 2.67 A)
&rst
ixpk= 2215, nxpk= 20, iat=2085,2070, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 133 HIS HN 133 HIS HA 3.00 (# 2218:20 Unique 2.13, 2.55 A)
&rst
ixpk= 2218, nxpk= 20, iat=2068,2070, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2219 0 AMB 20-1:2219 3.00 (# 2219:20 Double Ambig)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2143,1627,
igr2=2145,1629,
&end
#
# 139 SER HN 138 ASP HA 4.00 (# 2220:20 Unique 2.71, 3.39 A)
&rst
ixpk= 2220, nxpk= 20, iat=2155,2145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 THR HN 103 GLU HA 3.00 (# 2221:20 Unique 2.22, 3.07 A)
&rst
ixpk= 2221, nxpk= 20, iat=1642,1629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 GLU HN 66 GLU HA 3.00 (# 2222:20 Unique 2.22, 2.85 A)
&rst
ixpk= 2222, nxpk= 20, iat=1062,1064, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 LYS HN 21 LYS HA 3.00 (# 2226:20 Unique 2.22, 2.75 A)
&rst
ixpk= 2226, nxpk= 20, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2227 0 AMB 20-1:2227 3.00 (# 2227:20 Double Ambig)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 367, 355,
igr2= 369, 315,
&end
#
# 11 ASP HN 10 PHE HA 3.00 (# 2229:20 Unique 2.08, 2.24 A)
&rst
ixpk= 2229, nxpk= 20, iat= 162, 144, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 GLU HN 18 GLU HA 3.00 (# 2230:20 Unique 2.22, 2.83 A)
&rst
ixpk= 2230, nxpk= 20, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 107 GLU HN 107 GLU HA 3.00 (# 2231:20 Unique 2.18, 2.82 A)
&rst
ixpk= 2231, nxpk= 20, iat=1681,1683, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 VAL HN 24 ARG HA 4.00 (# 2232:20 Unique 2.50, 2.68 A)
&rst
ixpk= 2232, nxpk= 20, iat= 391, 369, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 99 ILE HN 98 ARG HA 3.00 (# 2234:20 Unique 1.99, 2.36 A)
&rst
ixpk= 2234, nxpk= 20, iat=1574,1552, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2235 0 AMB 20-1:2235 4.00 (# 2235:20 Double Ambig)
&rst
ixpk= 2235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 284,1696,
igr2= 271,1683,
&end
#
# 37 MET HN 36 LYS HA 3.00 (# 2236:20 Unique 2.39, 2.77 A)
&rst
ixpk= 2236, nxpk= 20, iat= 583, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LYS HN 36 LYS HA 3.00 (# 2237:20 Unique 2.22, 2.49 A)
&rst
ixpk= 2237, nxpk= 20, iat= 561, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 LYS HN 13 LYS HA 4.00 (# 2238:20 Unique 2.94, 2.98 A)
&rst
ixpk= 2238, nxpk= 20, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2239 0 AMB 20-1:2239 3.00 (# 2239:20 Double Ambig)
&rst
ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 313,1175,
igr2= 293,1162,
&end
#
# 86 ASP HN 86 ASP HA 3.00 (# 2240:20 Unique 2.26, 2.79 A)
&rst
ixpk= 2240, nxpk= 20, iat=1345,1347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 GLN HN 86 ASP HA 4.00 (# 2241:20 Unique 3.30, 3.49 A)
&rst
ixpk= 2241, nxpk= 20, iat=1357,1347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 130 ASN HN 130 ASN HA 3.00 (# 2242:20 Unique 2.80, 2.86 A)
&rst
ixpk= 2242, nxpk= 20, iat=2021,2023, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2243 130 ASN HA 5.00 (# 2243:20 Single Ambig)
&rst
ixpk= 2243, nxpk= 20, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2081,2049,
&end
#
# 0 AMB 20-2:2244 0 AMB 20-1:2244 4.00 (# 2244:20 Double Ambig)
&rst
ixpk= 2244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2030,2031,1374,
igr2=2023,1359,
&end
#
# 87 GLN HN 87 GLN HA 3.00 (# 2245:20 Unique 2.16, 2.77 A)
&rst
ixpk= 2245, nxpk= 20, iat=1357,1359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2246 128 ASP HA 3.00 (# 2246:20 Single Ambig)
&rst
ixpk= 2246, nxpk= 20, iat= -1,2001, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2011,1999,
&end
#
# 0 AMB 20-2:2247 23 ASP HA 3.00 (# 2247:20 Single Ambig)
&rst
ixpk= 2247, nxpk= 20, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 355, 367,
&end
#
# 112 LEU HN 129 ALA HA 6.00 (# 2249:20 Unique 3.36, 4.09 A)
&rst
ixpk= 2249, nxpk= 20, iat=1754,2013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 ALA HN 129 ALA HA 3.00 (# 2250:20 Unique 2.61, 2.75 A)
&rst
ixpk= 2250, nxpk= 20, iat=2011,2013, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 131 ASN HN 129 ALA HA 6.00 (# 2251:20 Unique 3.61, 3.90 A)
&rst
ixpk= 2251, nxpk= 20, iat=2035,2013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2252 129 ALA HA 5.00 (# 2252:20 Single Ambig)
&rst
ixpk= 2252, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2049,2044,2045,2081,
&end
#
# 0 AMB 20-2:2253 70 LEU HA 3.00 (# 2253:20 Single Ambig)
&rst
ixpk= 2253, nxpk= 20, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1110,1129,1141,
&end
#
# 86 ASP HN 85 ALA HA 4.00 (# 2255:20 Unique 2.18, 2.86 A)
&rst
ixpk= 2255, nxpk= 20, iat=1345,1337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 GLN HE2- 85 ALA HA 3.00 (# 2256:20 Unique 2.35, 3.65 A)
&rst
ixpk= 2256, nxpk= 20, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1369,1370,
&end
#
# 73 GLY HN 72 ASP HA 3.00 (# 2257:20 Unique 2.12, 3.03 A)
&rst
ixpk= 2257, nxpk= 20, iat=1153,1143, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 137 VAL HN 136 GLU HA 4.00 (# 2259:20 Unique 2.14, 2.82 A)
&rst
ixpk= 2259, nxpk= 20, iat=2127,2114, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2262 0 AMB 20-1:2262 3.00 (# 2262:20 Double Ambig)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2345,1250,1089,
igr2=2328,1252,1079,
&end
#
# 81 ARG HN 80 ASP HA 4.00 (# 2263:20 Unique 2.02, 2.95 A)
&rst
ixpk= 2263, nxpk= 20, iat=1262,1252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 148 LEU HN 148 LEU HA 4.00 (# 2266:20 Unique 2.28, 2.75 A)
&rst
ixpk= 2266, nxpk= 20, iat=2326,2328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 THR HN 109 ALA HA 3.00 (# 2270:20 Unique 2.14, 2.41 A)
&rst
ixpk= 2270, nxpk= 20, iat=1716,1708, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2271 109 ALA HA 5.00 (# 2271:20 Single Ambig)
&rst
ixpk= 2271, nxpk= 20, iat= -1,1708, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1730,1642,
&end
#
# 62 SER HN 61 ALA HA 4.00 (# 2272:20 Unique 2.18, 2.94 A)
&rst
ixpk= 2272, nxpk= 20, iat= 997, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2274 108 ALA HA 4.00 (# 2274:20 Single Ambig)
&rst
ixpk= 2274, nxpk= 20, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1706,1656,
&end
#
# 108 ALA HN 108 ALA HA 3.00 (# 2275:20 Unique 2.13, 2.72 A)
&rst
ixpk= 2275, nxpk= 20, iat=1696,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 149 ALA HN 149 ALA HA 3.00 (# 2276:20 Unique 2.70, 2.93 A)
&rst
ixpk= 2276, nxpk= 20, iat=2345,2347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 150 PHE HN 149 ALA HA 3.00 (# 2277:20 Unique 2.15, 2.55 A)
&rst
ixpk= 2277, nxpk= 20, iat=2355,2347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2282 0 AMB 20-1:2282 4.00 (# 2282:20 Double Ambig)
&rst
ixpk= 2282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1224,1238,
igr2=1211,1212,1211,1212,1287,1288,
&end
#
# 0 AMB 20-2:2283 0 AMB 20-1:2283 3.00 (# 2283:20 Double Ambig)
&rst
ixpk= 2283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1754,1773,
igr2=1758,1759,1758,1759,
&end
#
# 6 PHE HD 58 LEU HB+ 6.00 (# 2284:20 Unique 4.76, 8.83 A)
&rst
ixpk= 2284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 84, 92,
igr2= 937, 938,
&end
#
# 10 PHE HD 58 LEU HB+ 3.00 (# 2285:20 Unique 2.27, 4.82 A)
&rst
ixpk= 2285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 150, 158,
igr2= 937, 938,
&end
#
# 10 PHE HD 58 LEU HB- 4.00 (# 2286:20 Unique 2.27, 4.82 A)
&rst
ixpk= 2286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 150, 158,
igr2= 937, 938,
&end
#
# 94 GLY HN 94 GLY HA+ 6.00 (# 2287:20 Unique 2.67, 2.82 A)
&rst
ixpk= 2287, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1486,1487,
&end
#
# 95 LYS HN 94 GLY HA- 3.00 (# 2288:20 Unique 2.21, 2.64 A)
&rst
ixpk= 2288, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1486,1487,
&end
#
# 94 GLY HN 94 GLY HA- 4.00 (# 2289:20 Unique 2.67, 2.82 A)
&rst
ixpk= 2289, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1486,1487,
&end
#
# 95 LYS HN 94 GLY HA+ 4.00 (# 2291:20 Unique 2.21, 2.64 A)
&rst
ixpk= 2291, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1486,1487,
&end
#
# 0 AMB 20-2:2292 0 AMB 20-1:2292 3.00 (# 2292:20 Double Ambig)
&rst
ixpk= 2292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1141,1089,
igr2=1091,1092,1091,1092,
&end
#
# 73 GLY HN 73 GLY HA+ 3.00 (# 2293:20 Unique 2.29, 2.73 A)
&rst
ixpk= 2293, nxpk= 20, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1155,1156,
&end
#
# 0 AMB 20-2:2294 68 GLY HA- 3.00 (# 2294:20 Single Ambig)
&rst
ixpk= 2294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1141,1089,
igr2=1091,1092,
&end
#
# 0 AMB 20-2:2295 0 AMB 20-1:2295 4.00 (# 2295:20 Double Ambig)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1956,1784,
igr2=1960,1961,1960,1961,
&end
#
# 0 AMB 20-2:2296 125 LEU HB- 5.00 (# 2296:20 Single Ambig)
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1956,1784,
igr2=1960,1961,
&end
#
# 20 LYS HN 19 GLY HA+ 3.00 (# 2297:20 Unique 2.25, 3.15 A)
&rst
ixpk= 2297, nxpk= 20, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 286, 287,
&end
#
# 74 GLU HN 73 GLY HA+ 3.00 (# 2298:20 Unique 2.32, 3.28 A)
&rst
ixpk= 2298, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1155,1156,
&end
#
# 0 AMB 20-2:2299 0 AMB 20-1:2299 3.00 (# 2299:20 Double Ambig)
&rst
ixpk= 2299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1096, 284,
igr2=1091,1092, 286, 287,
&end
#
# 135 PHE HN 134 GLY HA+ 4.00 (# 2300:20 Unique 1.99, 3.03 A)
&rst
ixpk= 2300, nxpk= 20, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2087,2088,
&end
#
# 126 GLN HN 38 ASP HB+ 4.00 (# 2301:20 Unique 3.12, 4.22 A)
&rst
ixpk= 2301, nxpk= 20, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 604, 605,
&end
#
# 38 ASP HA 38 ASP HB+ 4.00 (# 2302:20 Unique 2.31, 2.74 A)
&rst
ixpk= 2302, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 604, 605,
&end
#
# 19 GLY HN 19 GLY HA+ 3.00 (# 2304:20 Unique 2.26, 2.76 A)
&rst
ixpk= 2304, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 286, 287,
&end
#
# 134 GLY HN 134 GLY HA+ 3.00 (# 2305:20 Preassigned 2.30, 2.68 A)
&rst
ixpk= 2305, nxpk= 20, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2087,2088,
&end
#
# 139 SER HN 134 GLY HA+ 5.00 (# 2306:20 Unique 3.11, 4.98 A)
&rst
ixpk= 2306, nxpk= 20, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2087,2088,
&end
#
# 0 AMB 20-2:2307 38 ASP HB- 3.00 (# 2307:20 Single Ambig)
&rst
ixpk= 2307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 600,1975,
igr2= 604, 605,
&end
#
# 128 ASP HN 127 GLY HA- 3.00 (# 2310:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2310, nxpk= 20, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1994,1995,
&end
#
# 101 GLY HN 101 GLY HA+ 3.00 (# 2311:20 Unique 2.29, 2.76 A)
&rst
ixpk= 2311, nxpk= 20, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1610,1611,
&end
#
# 144 LEU HN 144 LEU HB+ 3.00 (# 2312:20 Unique 2.42, 3.28 A)
&rst
ixpk= 2312, nxpk= 20, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2250,2251,
&end
#
# 144 LEU HN 144 LEU HB- 3.00 (# 2314:20 Unique 2.42, 3.28 A)
&rst
ixpk= 2314, nxpk= 20, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2250,2251,
&end
#
# 122 LEU HN 122 LEU HB- 5.00 (# 2317:20 Unique 2.05, 2.92 A)
&rst
ixpk= 2317, nxpk= 20, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1900,1901,
&end
#
# 122 LEU HN 122 LEU HB+ 6.00 (# 2318:20 Unique 2.05, 2.92 A)
&rst
ixpk= 2318, nxpk= 20, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1900,1901,
&end
#
# 29 HIS HN 28 LEU HB- 5.00 (# 2319:20 Unique 2.46, 3.48 A)
&rst
ixpk= 2319, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 446, 447,
&end
#
# 15 ILE HN 14 ASP HB- 3.00 (# 2320:20 Unique 2.70, 3.50 A)
&rst
ixpk= 2320, nxpk= 20, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 216, 217,
&end
#
# 14 ASP HN 14 ASP HB- 4.00 (# 2321:20 Unique 2.80, 3.10 A)
&rst
ixpk= 2321, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 216, 217,
&end
#
# 14 ASP HN 14 ASP HB+ 5.00 (# 2322:20 Unique 2.80, 3.10 A)
&rst
ixpk= 2322, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 216, 217,
&end
#
# 15 ILE HN 14 ASP HB+ 3.00 (# 2323:20 Unique 2.70, 3.50 A)
&rst
ixpk= 2323, nxpk= 20, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 216, 217,
&end
#
# 29 HIS HN 14 ASP HB+ 6.00 (# 2326:20 Unique 1.89, 3.09 A)
&rst
ixpk= 2326, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 216, 217,
&end
#
# 126 GLN HE2+ 111 ARG HD- 4.00 (# 2328:20 Unique 2.48, 4.71 A)
&rst
ixpk= 2328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1987,1988,
igr2=1740,1741,
&end
#
# 111 ARG HE 111 ARG HD- 4.00 (# 2330:20 Unique 2.30, 2.73 A)
&rst
ixpk= 2330, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1740,1741,
&end
#
# 44 ASN HD2- 0 AMB 20-1:2336 5.00 (# 2336:20 Single Ambig)
&rst
ixpk= 2336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 706, 707,
igr2= 377, 378, 377, 378,
&end
#
# 140 ARG HE 140 ARG HD- 6.00 (# 2339:20 Unique 2.24, 2.69 A)
&rst
ixpk= 2339, nxpk= 20, iat=2179, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2176,2177,
&end
#
# 28 LEU HN 27 ARG HD+ 6.00 (# 2342:20 Unique 4.75, 5.50 A)
&rst
ixpk= 2342, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 428, 429,
&end
#
# 112 LEU HN 111 ARG HD+ 5.00 (# 2343:20 Unique 2.49, 4.27 A)
&rst
ixpk= 2343, nxpk= 20, iat=1754, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1740,1741,
&end
#
# 140 ARG HN 140 ARG HD- 5.00 (# 2347:20 Unique 3.95, 5.24 A)
&rst
ixpk= 2347, nxpk= 20, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2176,2177,
&end
#
# 10 PHE HD 10 PHE HB+ 5.00 (# 2349:20 Preassigned 2.30, 3.08 A)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 150, 158,
igr2= 146, 147,
&end
#
# 148 LEU HN 148 LEU HB+ 3.00 (# 2350:20 Unique 2.63, 3.17 A)
&rst
ixpk= 2350, nxpk= 20, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2330,2331,
&end
#
# 0 AMB 20-2:2351 0 AMB 20-1:2351 6.00 (# 2351:20 Double Ambig)
&rst
ixpk= 2351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2049,2363,2371,
igr2=2053,2054,2330,2331,
&end
#
# 132 LEU HN 132 LEU HB- 5.00 (# 2352:20 Unique 2.14, 2.59 A)
&rst
ixpk= 2352, nxpk= 20, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2053,2054,
&end
#
# 0 AMB 20-2:2354 0 AMB 20-1:2354 3.00 (# 2354:20 Double Ambig)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 84, 92,2081,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:2355 6 PHE HB- 5.00 (# 2355:20 Single Ambig)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 84, 92,2081,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:2356 0 AMB 20-1:2356 4.00 (# 2356:20 Double Ambig)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1175,1129,
igr2=1114,1115,1114,1115,
&end
#
# 20 LYS HN 20 LYS HE+ 5.00 (# 2357:20 Unique 2.01, 4.86 A)
&rst
ixpk= 2357, nxpk= 20, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 304, 305,
&end
#
# 130 ASN HD2+ 36 LYS HE+ 6.00 (# 2358:20 Unique 3.36, 9.22 A)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2030,2031,
igr2= 574, 575,
&end
#
# 0 AMB 20-2:2359 0 AMB 20-1:2359 6.00 (# 2359:20 Double Ambig)
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 561,2030,2031,
igr2= 574, 575, 574, 575,
&end
#
# 11 ASP HA 11 ASP HB+ 3.00 (# 2360:20 Unique 2.47, 2.78 A)
&rst
ixpk= 2360, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 166, 167,
&end
#
# 0 AMB 20-2:2361 0 AMB 20-1:2361 5.00 (# 2361:20 Double Ambig)
&rst
ixpk= 2361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 335, 489,
igr2= 326, 327, 203, 204,
&end
#
# 0 AMB 20-2:2363 0 AMB 20-1:2363 5.00 (# 2363:20 Double Ambig)
&rst
ixpk= 2363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 174, 889,
igr2= 166, 167, 166, 167,
&end
#
# 131 ASN HD2+ 128 ASP HB+ 4.00 (# 2365:20 Unique 1.92, 3.72 A)
&rst
ixpk= 2365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2044,2045,
igr2=2003,2004,
&end
#
# 56 PHE HN 56 PHE HB- 4.00 (# 2369:20 Unique 2.19, 3.14 A)
&rst
ixpk= 2369, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 893, 894,
&end
#
# 57 ARG HN 56 PHE HB- 5.00 (# 2373:20 Unique 2.14, 3.11 A)
&rst
ixpk= 2373, nxpk= 20, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 893, 894,
&end
#
# 56 PHE HD 56 PHE HB- 3.00 (# 2374:20 Unique 2.27, 3.08 A)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 897, 905,
igr2= 893, 894,
&end
#
# 88 PHE HN 88 PHE HB+ 3.00 (# 2375:20 Unique 2.38, 3.33 A)
&rst
ixpk= 2375, nxpk= 20, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1378,1379,
&end
#
# 56 PHE HD 56 PHE HB+ 4.00 (# 2376:20 Unique 2.27, 3.08 A)
&rst
ixpk= 2376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 897, 905,
igr2= 893, 894,
&end
#
# 56 PHE HA 56 PHE HB- 6.00 (# 2377:20 Unique 2.35, 2.83 A)
&rst
ixpk= 2377, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 893, 894,
&end
#
# 128 ASP HN 128 ASP HB+ 3.00 (# 2378:20 Unique 2.31, 2.52 A)
&rst
ixpk= 2378, nxpk= 20, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2003,2004,
&end
#
# 0 AMB 20-2:2379 0 AMB 20-1:2379 4.00 (# 2379:20 Double Ambig)
&rst
ixpk= 2379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2044,2045,2363,2371,
igr2=2003,2004,2317,2318,
&end
#
# 128 ASP HN 128 ASP HB- 3.00 (# 2380:20 Unique 2.31, 2.52 A)
&rst
ixpk= 2380, nxpk= 20, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2003,2004,
&end
#
# 131 ASN HD2+ 128 ASP HB- 4.00 (# 2381:20 Unique 1.92, 3.72 A)
&rst
ixpk= 2381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2044,2045,
igr2=2003,2004,
&end
#
# 75 TYR HD 0 AMB 20-1:2382 5.00 (# 2382:20 Single Ambig)
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1183,1192,
igr2=1145,1146,1242,1243,
&end
#
# 87 GLN HE2- 88 PHE HB+ 6.00 (# 2383:20 Unique 4.18, 6.45 A)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1369,1370,
igr2=1378,1379,
&end
#
# 16 ASP HN 16 ASP HB+ 4.00 (# 2384:20 Unique 2.55, 3.02 A)
&rst
ixpk= 2384, nxpk= 20, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 247, 248,
&end
#
# 79 ASP HN 79 ASP HB+ 3.00 (# 2386:20 Unique 2.37, 2.67 A)
&rst
ixpk= 2386, nxpk= 20, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1242,1243,
&end
#
# 75 TYR HD 0 AMB 20-1:2387 5.00 (# 2387:20 Single Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1183,1192,
igr2=1145,1146,1242,1243,
&end
#
# 0 AMB 20-2:2389 0 AMB 20-1:2389 3.00 (# 2389:20 Double Ambig)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1153, 355, 367,
igr2=1145,1146, 359, 360, 359, 360,
&end
#
# 0 AMB 20-2:2390 79 ASP HB- 3.00 (# 2390:20 Single Ambig)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1238,1262,
igr2=1242,1243,
&end
#
# 25 VAL HN 23 ASP HB+ 6.00 (# 2391:20 Unique 4.93, 5.37 A)
&rst
ixpk= 2391, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 359, 360,
&end
#
# 0 AMB 20-2:2393 0 AMB 20-1:2393 3.00 (# 2393:20 Double Ambig)
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1250,1089,1615,
igr2=1242,1243,1081,1082,1619,1620,
&end
#
# 142 TYR HN 142 TYR HB+ 4.00 (# 2395:20 Unique 2.26, 3.09 A)
&rst
ixpk= 2395, nxpk= 20, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2210,2211,
&end
#
# 142 TYR HD 142 TYR HB+ 3.00 (# 2396:20 Unique 2.28, 3.09 A)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2214,2223,
igr2=2210,2211,
&end
#
# 15 ILE HN 15 ILE HB 3.00 (# 2397:20 Unique 2.69, 2.85 A)
&rst
ixpk= 2397, nxpk= 20, iat= 224, 228, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 93 TYR HD 93 TYR HB+ 3.00 (# 2398:20 Unique 2.30, 3.09 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1471,1480,
igr2=1467,1468,
&end
#
# 93 TYR HD 93 TYR HB- 3.00 (# 2399:20 Unique 2.30, 3.09 A)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1471,1480,
igr2=1467,1468,
&end
#
# 86 ASP HN 0 AMB 20-1:2400 3.00 (# 2400:20 Single Ambig)
&rst
ixpk= 2400, nxpk= 20, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1349,1350,1254,1255,
&end
#
# 97 TYR HD 97 TYR HB+ 3.00 (# 2401:20 Preassigned 2.31, 3.09 A)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1537,1546,
igr2=1533,1534,
&end
#
# 22 PHE HN 22 PHE HB- 3.00 (# 2402:20 Unique 2.28, 3.02 A)
&rst
ixpk= 2402, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 339, 340,
&end
#
# 87 GLN HN 0 AMB 20-1:2403 4.00 (# 2403:20 Single Ambig)
&rst
ixpk= 2403, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1254,1255,1349,1350,
&end
#
# 97 TYR HA 97 TYR HB+ 3.00 (# 2404:20 Unique 2.34, 2.74 A)
&rst
ixpk= 2404, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1533,1534,
&end
#
# 0 AMB 20-2:2405 22 PHE HB- 4.00 (# 2405:20 Single Ambig)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 355, 367,
igr2= 339, 340,
&end
#
# 25 VAL HN 22 PHE HB- 4.00 (# 2406:20 Unique 3.03, 4.07 A)
&rst
ixpk= 2406, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 339, 340,
&end
#
# 22 PHE HD 22 PHE HB- 3.00 (# 2407:20 Unique 2.32, 3.08 A)
&rst
ixpk= 2407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 343, 351,
igr2= 339, 340,
&end
#
# 150 PHE HN 150 PHE HB+ 4.00 (# 2408:20 Unique 2.37, 3.27 A)
&rst
ixpk= 2408, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2359,2360,
&end
#
# 150 PHE HN 150 PHE HB- 4.00 (# 2409:20 Unique 2.37, 3.27 A)
&rst
ixpk= 2409, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2359,2360,
&end
#
# 0 AMB 20-2:2410 0 AMB 20-1:2410 6.00 (# 2410:20 Double Ambig)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 355, 367,
igr2= 339, 340, 339, 340,
&end
#
# 22 PHE HN 22 PHE HB+ 3.00 (# 2411:20 Unique 2.28, 3.02 A)
&rst
ixpk= 2411, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 339, 340,
&end
#
# 97 TYR HA 97 TYR HB- 4.00 (# 2412:20 Unique 2.34, 2.74 A)
&rst
ixpk= 2412, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1533,1534,
&end
#
# 97 TYR HD 97 TYR HB- 3.00 (# 2413:20 Preassigned 2.31, 3.09 A)
&rst
ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1537,1546,
igr2=1533,1534,
&end
#
# 0 AMB 20-2:2414 0 AMB 20-1:2414 3.00 (# 2414:20 Double Ambig)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 343, 351,2363,2371,
igr2= 339, 340,2359,2360,
&end
#
# 25 VAL HN 22 PHE HB+ 5.00 (# 2415:20 Unique 3.03, 4.07 A)
&rst
ixpk= 2415, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 339, 340,
&end
#
# 0 AMB 20-2:2416 0 AMB 20-1:2416 3.00 (# 2416:20 Double Ambig)
&rst
ixpk= 2416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2044,2045,2049,
igr2=2039,2040,2039,2040,
&end
#
# 0 AMB 20-2:2417 131 ASN HB- 3.00 (# 2417:20 Single Ambig)
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2044,2045,2049,
igr2=2039,2040,
&end
#
# 9 ILE HN 9 ILE HB 3.00 (# 2418:20 Unique 2.13, 2.31 A)
&rst
ixpk= 2418, nxpk= 20, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2420 131 ASN HB- 3.00 (# 2420:20 Single Ambig)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2035,2030,2031,
igr2=2039,2040,
&end
#
# 40 ILE HN 40 ILE HB 4.00 (# 2421:20 Unique 2.92, 3.17 A)
&rst
ixpk= 2421, nxpk= 20, iat= 631, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2423 0 AMB 20-1:2423 3.00 (# 2423:20 Double Ambig)
&rst
ixpk= 2423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 549, 557, 86, 90,
igr2= 545, 546, 545, 546,
&end
#
# 76 ASN HN 76 ASN HB+ 3.00 (# 2424:20 Unique 2.20, 3.28 A)
&rst
ixpk= 2424, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1200,1201,
&end
#
# 76 ASN HD2+ 76 ASN HB+ 3.00 (# 2425:20 Unique 2.17, 3.38 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1205,1206,
igr2=1200,1201,
&end
#
# 0 AMB 20-2:2426 35 PHE HB- 3.00 (# 2426:20 Single Ambig)
&rst
ixpk= 2426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 549, 557, 86, 90,
igr2= 545, 546,
&end
#
# 76 ASN HD2- 76 ASN HB+ 5.00 (# 2427:20 Unique 2.17, 3.38 A)
&rst
ixpk= 2427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1205,1206,
igr2=1200,1201,
&end
#
# 76 ASN HN 76 ASN HB- 3.00 (# 2428:20 Unique 2.20, 3.28 A)
&rst
ixpk= 2428, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1200,1201,
&end
#
# 76 ASN HD2+ 76 ASN HB- 3.00 (# 2429:20 Unique 2.17, 3.38 A)
&rst
ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1205,1206,
igr2=1200,1201,
&end
#
# 76 ASN HD2- 76 ASN HB- 4.00 (# 2430:20 Unique 2.17, 3.38 A)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1205,1206,
igr2=1200,1201,
&end
#
# 66 GLU HN 65 TYR HB+ 4.00 (# 2431:20 Unique 2.16, 3.81 A)
&rst
ixpk= 2431, nxpk= 20, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1045,1046,
&end
#
# 65 TYR HD 65 TYR HB+ 3.00 (# 2432:20 Unique 2.31, 3.08 A)
&rst
ixpk= 2432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1049,1058,
igr2=1045,1046,
&end
#
# 139 SER HN 138 ASP HB+ 5.00 (# 2433:20 Unique 2.55, 3.88 A)
&rst
ixpk= 2433, nxpk= 20, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2147,2148,
&end
#
# 0 AMB 20-2:2434 0 AMB 20-1:2434 4.00 (# 2434:20 Double Ambig)
&rst
ixpk= 2434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1224,1238,2030,2031,
igr2=1200,1201,1200,1201, 545, 546,
&end
#
# 66 GLU HN 65 TYR HB- 5.00 (# 2435:20 Unique 2.16, 3.81 A)
&rst
ixpk= 2435, nxpk= 20, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1045,1046,
&end
#
# 48 TYR HN 47 ILE HB 3.00 (# 2438:20 Unique 2.59, 2.87 A)
&rst
ixpk= 2438, nxpk= 20, iat= 766, 751, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 135 PHE HN 135 PHE HB- 3.00 (# 2439:20 Unique 2.18, 3.16 A)
&rst
ixpk= 2439, nxpk= 20, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2096,2097,
&end
#
# 47 ILE HN 47 ILE HB 3.00 (# 2442:20 Unique 2.49, 2.71 A)
&rst
ixpk= 2442, nxpk= 20, iat= 747, 751, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 135 PHE HN 135 PHE HB+ 3.00 (# 2450:20 Unique 2.18, 3.16 A)
&rst
ixpk= 2450, nxpk= 20, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2096,2097,
&end
#
# 135 PHE HD 135 PHE HB+ 3.00 (# 2452:20 Unique 2.31, 3.09 A)
&rst
ixpk= 2452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2100,2108,
igr2=2096,2097,
&end
#
# 123 MET HN 123 MET HB+ 6.00 (# 2454:20 Unique 2.63, 3.17 A)
&rst
ixpk= 2454, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1919,1920,
&end
#
# 0 AMB 20-2:2457 115 TYR HB- 5.00 (# 2457:20 Single Ambig)
&rst
ixpk= 2457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1802,1811,1537,1546,
igr2=1798,1799,
&end
#
# 130 ASN HD2- 130 ASN HB+ 3.00 (# 2458:20 Unique 2.20, 3.42 A)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2030,2031,
igr2=2025,2026,
&end
#
# 130 ASN HN 130 ASN HB- 3.00 (# 2459:20 Unique 2.23, 2.72 A)
&rst
ixpk= 2459, nxpk= 20, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2025,2026,
&end
#
# 0 AMB 20-2:2460 130 ASN HB- 3.00 (# 2460:20 Single Ambig)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2030,2031,2035,
igr2=2025,2026,
&end
#
# 47 ILE HN 45 ILE HB 5.00 (# 2462:20 Unique 4.66, 4.99 A)
&rst
ixpk= 2462, nxpk= 20, iat= 747, 715, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 ASN HD2+ 44 ASN HB+ 5.00 (# 2464:20 Unique 2.21, 3.26 A)
&rst
ixpk= 2464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 706, 707,
igr2= 701, 702,
&end
#
# 44 ASN HD2+ 44 ASN HB- 4.00 (# 2465:20 Unique 2.21, 3.26 A)
&rst
ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 706, 707,
igr2= 701, 702,
&end
#
# 44 ASN HD2- 44 ASN HB- 5.00 (# 2466:20 Unique 2.21, 3.26 A)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 706, 707,
igr2= 701, 702,
&end
#
# 146 LYS HN 146 LYS HB+ 4.00 (# 2468:20 Unique 2.73, 3.38 A)
&rst
ixpk= 2468, nxpk= 20, iat=2282, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2286,2287,
&end
#
# 147 LYS HN 146 LYS HB+ 5.00 (# 2470:20 Unique 2.42, 3.55 A)
&rst
ixpk= 2470, nxpk= 20, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2286,2287,
&end
#
# 55 LYS HA 55 LYS HB- 4.00 (# 2471:20 Unique 2.41, 2.76 A)
&rst
ixpk= 2471, nxpk= 20, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 871, 872,
&end
#
# 56 PHE HN 55 LYS HB+ 4.00 (# 2472:20 Unique 2.62, 3.51 A)
&rst
ixpk= 2472, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 871, 872,
&end
#
# 55 LYS HA 55 LYS HB+ 4.00 (# 2473:20 Unique 2.41, 2.76 A)
&rst
ixpk= 2473, nxpk= 20, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 871, 872,
&end
#
# 31 GLU HA 31 GLU HG- 5.00 (# 2474:20 Unique 2.48, 3.10 A)
&rst
ixpk= 2474, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 496, 497,
&end
#
# 56 PHE HN 55 LYS HB- 3.00 (# 2477:20 Unique 2.62, 3.51 A)
&rst
ixpk= 2477, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 871, 872,
&end
#
# 31 GLU HA 31 GLU HG+ 3.00 (# 2478:20 Unique 2.48, 3.10 A)
&rst
ixpk= 2478, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 496, 497,
&end
#
# 18 GLU HN 18 GLU HG+ 3.00 (# 2479:20 Unique 2.09, 3.09 A)
&rst
ixpk= 2479, nxpk= 20, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 276, 277,
&end
#
# 142 TYR HN 141 VAL HB 5.00 (# 2480:20 Unique 3.85, 4.15 A)
&rst
ixpk= 2480, nxpk= 20, iat=2206,2194, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:2481 0 AMB 20-1:2481 4.00 (# 2481:20 Double Ambig)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1696, 284,
igr2=1688,1689, 276, 277,
&end
#
# 66 GLU HN 66 GLU HG- 3.00 (# 2482:20 Unique 1.79, 3.15 A)
&rst
ixpk= 2482, nxpk= 20, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1069,1070,
&end
#
# 95 LYS HN 95 LYS HB+ 4.00 (# 2483:20 Unique 2.66, 3.48 A)
&rst
ixpk= 2483, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1495,1496,
&end
#
# 95 LYS HN 95 LYS HB- 4.00 (# 2484:20 Unique 2.66, 3.48 A)
&rst
ixpk= 2484, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1495,1496,
&end
#
# 0 AMB 20-2:2485 0 AMB 20-1:2485 3.00 (# 2485:20 Double Ambig)
&rst
ixpk= 2485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1681,1175,1656, 313,
igr2=1688,1689,1167,1168,1634,1635, 276, 277,
&end
#
# 137 VAL HN 136 GLU HG+ 5.00 (# 2488:20 Unique 1.73, 4.20 A)
&rst
ixpk= 2488, nxpk= 20, iat=2127, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2119,2120,
&end
#
# 74 GLU HN 74 GLU HG- 4.00 (# 2489:20 Unique 3.05, 4.31 A)
&rst
ixpk= 2489, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1167,1168,
&end
#
# 100 GLU HN 100 GLU HG- 4.00 (# 2492:20 Unique 2.01, 2.87 A)
&rst
ixpk= 2492, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1600,1601,
&end
#
# 101 GLY HN 100 GLU HG- 3.00 (# 2493:20 Unique 2.21, 2.87 A)
&rst
ixpk= 2493, nxpk= 20, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1600,1601,
&end
#
# 7 GLU HA 7 GLU HG- 6.00 (# 2496:20 Unique 2.42, 2.87 A)
&rst
ixpk= 2496, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 103, 104,
&end
#
# 7 GLU HA 7 GLU HG+ 5.00 (# 2497:20 Unique 2.42, 2.87 A)
&rst
ixpk= 2497, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 103, 104,
&end
#
# 8 ASP HN 7 GLU HG+ 5.00 (# 2499:20 Unique 2.79, 3.25 A)
&rst
ixpk= 2499, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 103, 104,
&end
#
# 25 VAL HN 25 VAL HB 3.00 (# 2502:20 Unique 2.86, 2.99 A)
&rst
ixpk= 2502, nxpk= 20, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 GLU HN 31 GLU HB+ 4.00 (# 2503:20 Unique 2.30, 2.93 A)
&rst
ixpk= 2503, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 493, 494,
&end
#
# 31 GLU HA 31 GLU HB+ 3.00 (# 2504:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2504, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 493, 494,
&end
#
# 32 SER HN 31 GLU HB- 4.00 (# 2505:20 Unique 2.98, 4.27 A)
&rst
ixpk= 2505, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 493, 494,
&end
#
# 31 GLU HN 31 GLU HB- 4.00 (# 2506:20 Unique 2.30, 2.93 A)
&rst
ixpk= 2506, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 493, 494,
&end
#
# 31 GLU HA 31 GLU HB- 3.00 (# 2507:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2507, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 493, 494,
&end
#
# 46 GLN HN 46 GLN HG- 3.00 (# 2508:20 Unique 1.80, 2.40 A)
&rst
ixpk= 2508, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 737, 738,
&end
#
# 46 GLN HE2+ 46 GLN HG+ 5.00 (# 2509:20 Unique 2.19, 3.30 A)
&rst
ixpk= 2509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 742, 743,
igr2= 737, 738,
&end
#
# 46 GLN HN 46 GLN HG+ 3.00 (# 2510:20 Unique 1.80, 2.40 A)
&rst
ixpk= 2510, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 737, 738,
&end
#
# 46 GLN HE2- 46 GLN HG+ 4.00 (# 2511:20 Unique 2.19, 3.30 A)
&rst
ixpk= 2511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 742, 743,
igr2= 737, 738,
&end
#
# 0 AMB 20-2:2512 0 AMB 20-1:2512 5.00 (# 2512:20 Double Ambig)
&rst
ixpk= 2512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 380, 747,
igr2= 737, 738, 737, 738,
&end
#
# 0 AMB 20-2:2513 0 AMB 20-1:2513 3.00 (# 2513:20 Double Ambig)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 742, 743,1987,1988,
igr2= 737, 738,1979,1980,
&end
#
# 47 ILE HN 46 GLN HG- 4.00 (# 2514:20 Preassigned 2.85, 3.48 A)
&rst
ixpk= 2514, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 737, 738,
&end
#
# 0 AMB 20-2:2515 0 AMB 20-1:2515 5.00 (# 2515:20 Double Ambig)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 742, 743,1987,1988,
igr2= 737, 738,1979,1980,
&end
#
# 127 GLY HN 126 GLN HB- 5.00 (# 2516:20 Unique 2.80, 4.32 A)
&rst
ixpk= 2516, nxpk= 20, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1979,1980,
&end
#
# 126 GLN HA 126 GLN HB- 5.00 (# 2517:20 Unique 2.28, 2.74 A)
&rst
ixpk= 2517, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1979,1980,
&end
#
# 127 GLY HN 126 GLN HB+ 6.00 (# 2518:20 Unique 2.80, 4.32 A)
&rst
ixpk= 2518, nxpk= 20, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1979,1980,
&end
#
# 126 GLN HA 126 GLN HG+ 4.00 (# 2519:20 Unique 2.37, 3.26 A)
&rst
ixpk= 2519, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1982,1983,
&end
#
# 88 PHE HN 87 GLN HG+ 5.00 (# 2520:20 Unique 3.79, 5.13 A)
&rst
ixpk= 2520, nxpk= 20, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1364,1365,
&end
#
# 100 GLU HN 100 GLU HB+ 5.00 (# 2522:20 Unique 2.29, 2.98 A)
&rst
ixpk= 2522, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1597,1598,
&end
#
# 126 GLN HN 126 GLN HB+ 4.00 (# 2523:20 Unique 2.34, 2.97 A)
&rst
ixpk= 2523, nxpk= 20, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1979,1980,
&end
#
# 87 GLN HN 87 GLN HG+ 3.00 (# 2525:20 Unique 1.77, 3.07 A)
&rst
ixpk= 2525, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1364,1365,
&end
#
# 100 GLU HN 100 GLU HB- 3.00 (# 2527:20 Unique 2.29, 2.98 A)
&rst
ixpk= 2527, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1597,1598,
&end
#
# 86 ASP HN 87 GLN HG+ 6.00 (# 2528:20 Unique 3.70, 5.20 A)
&rst
ixpk= 2528, nxpk= 20, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1364,1365,
&end
#
# 87 GLN HE2- 87 GLN HG+ 6.00 (# 2529:20 Unique 2.22, 3.48 A)
&rst
ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1369,1370,
igr2=1364,1365,
&end
#
# 101 GLY HN 100 GLU HB- 5.00 (# 2530:20 Unique 3.63, 4.13 A)
&rst
ixpk= 2530, nxpk= 20, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1597,1598,
&end
#
# 0 AMB 20-2:2532 0 AMB 20-1:2532 6.00 (# 2532:20 Double Ambig)
&rst
ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 669,1831,
igr2=1922,1923,1922,1923,
&end
#
# 123 MET HA 123 MET HG+ 6.00 (# 2533:20 Unique 2.40, 3.18 A)
&rst
ixpk= 2533, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1922,1923,
&end
#
# 10 PHE HD 30 CYS HB+ 4.00 (# 2534:20 Unique 2.00, 4.53 A)
&rst
ixpk= 2534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 150, 158,
igr2= 482, 483,
&end
#
# 30 CYS HA 30 CYS HB+ 5.00 (# 2535:20 Unique 2.20, 2.62 A)
&rst
ixpk= 2535, nxpk= 20, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 482, 483,
&end
#
# 31 GLU HN 30 CYS HB+ 6.00 (# 2536:20 Unique 2.33, 2.91 A)
&rst
ixpk= 2536, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 482, 483,
&end
#
# 0 AMB 20-2:2539 0 AMB 20-1:2539 6.00 (# 2539:20 Double Ambig)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1802,1811,1537,1546,
igr2=1554,1555,1554,1555,
&end
#
# 30 CYS HA 30 CYS HB+ 4.00 (# 2541:20 Unique 2.20, 2.62 A)
&rst
ixpk= 2541, nxpk= 20, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 482, 483,
&end
#
# 117 SER HA 123 MET HG- 5.00 (# 2542:20 Unique 5.50, 7.57 A)
&rst
ixpk= 2542, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1922,1923,
&end
#
# 0 AMB 20-2:2543 21 LYS HB- 3.00 (# 2543:20 Single Ambig)
&rst
ixpk= 2543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 313, 335,
igr2= 317, 318,
&end
#
# 0 AMB 20-2:2544 21 LYS HB- 3.00 (# 2544:20 Single Ambig)
&rst
ixpk= 2544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 313, 335,
igr2= 317, 318,
&end
#
# 7 GLU HN 7 GLU HB- 4.00 (# 2545:20 Unique 2.28, 3.01 A)
&rst
ixpk= 2545, nxpk= 20, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 100, 101,
&end
#
# 112 LEU HN 111 ARG HB+ 3.00 (# 2546:20 Unique 2.23, 3.36 A)
&rst
ixpk= 2546, nxpk= 20, iat=1754, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1734,1735,
&end
#
# 0 AMB 20-2:2547 0 AMB 20-1:2547 3.00 (# 2547:20 Double Ambig)
&rst
ixpk= 2547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1992,1730,
igr2=1734,1735,1734,1735,
&end
#
# 7 GLU HA 7 GLU HB- 4.00 (# 2549:20 Unique 2.40, 2.78 A)
&rst
ixpk= 2549, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 100, 101,
&end
#
# 147 LYS HN 147 LYS HB+ 3.00 (# 2551:20 Unique 2.39, 3.18 A)
&rst
ixpk= 2551, nxpk= 20, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2308,2309,
&end
#
# 148 LEU HN 147 LYS HB+ 4.00 (# 2552:20 Unique 2.02, 2.97 A)
&rst
ixpk= 2552, nxpk= 20, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2308,2309,
&end
#
# 14 ASP HN 13 LYS HB+ 5.00 (# 2554:20 Unique 2.76, 3.50 A)
&rst
ixpk= 2554, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 194, 195,
&end
#
# 0 AMB 20-2:2556 20 LYS HB- 3.00 (# 2556:20 Single Ambig)
&rst
ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 291, 335,
igr2= 295, 296,
&end
#
# 0 AMB 20-2:2557 136 GLU HB- 6.00 (# 2557:20 Single Ambig)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2112,2155,
igr2=2116,2117,
&end
#
# 0 AMB 20-2:2558 0 AMB 20-1:2558 3.00 (# 2558:20 Double Ambig)
&rst
ixpk= 2558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 291, 335,
igr2= 295, 296, 295, 296,
&end
#
# 137 VAL HN 136 GLU HB+ 4.00 (# 2559:20 Unique 2.06, 3.54 A)
&rst
ixpk= 2559, nxpk= 20, iat=2127, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2116,2117,
&end
#
# 93 TYR HN 92 MET HG+ 3.00 (# 2560:20 Unique 1.87, 3.15 A)
&rst
ixpk= 2560, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1453,1454,
&end
#
# 83 SER HN 82 PRO HB+ 4.00 (# 2561:20 Unique 2.87, 4.16 A)
&rst
ixpk= 2561, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1293,1294,
&end
#
# 78 THR HN 77 PRO HB- 4.00 (# 2562:20 Unique 2.54, 3.90 A)
&rst
ixpk= 2562, nxpk= 20, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1217,1218,
&end
#
# 83 SER HN 82 PRO HB- 4.00 (# 2563:20 Unique 2.87, 4.16 A)
&rst
ixpk= 2563, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1293,1294,
&end
#
# 78 THR HN 77 PRO HB+ 4.00 (# 2564:20 Unique 2.54, 3.90 A)
&rst
ixpk= 2564, nxpk= 20, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1217,1218,
&end
#
# 18 GLU HN 17 PRO HB- 5.00 (# 2565:20 Unique 2.39, 3.39 A)
&rst
ixpk= 2565, nxpk= 20, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 262, 263,
&end
#
# 54 ASP HN 12 VAL HB 5.00 (# 2567:20 Unique 1.97, 2.67 A)
&rst
ixpk= 2567, nxpk= 20, iat= 855, 178, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 VAL HN 12 VAL HB 4.00 (# 2571:20 Unique 2.07, 2.24 A)
&rst
ixpk= 2571, nxpk= 20, iat= 174, 178, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 VAL HN 12 VAL HB 4.00 (# 2573:20 Unique 2.07, 2.24 A)
&rst
ixpk= 2573, nxpk= 20, iat= 174, 178, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2582 96 VAL HB 3.00 (# 2582:20 Single Ambig)
&rst
ixpk= 2582, nxpk= 20, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1513,1529,
&end
#
# 137 VAL HN 137 VAL HB 4.00 (# 2584:20 Unique 3.51, 3.68 A)
&rst
ixpk= 2584, nxpk= 20, iat=2127,2131, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 ARG HN 81 ARG HB+ 3.00 (# 2585:20 Unique 2.02, 3.24 A)
&rst
ixpk= 2585, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1266,1267,
&end
#
# 81 ARG HN 81 ARG HB- 3.00 (# 2586:20 Unique 2.02, 3.24 A)
&rst
ixpk= 2586, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1266,1267,
&end
#
# 0 AMB 20-2:2588 0 AMB 20-1:2588 4.00 (# 2588:20 Double Ambig)
&rst
ixpk= 2588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1077,1681,
igr2=1066,1067,1685,1686,
&end
#
# 108 ALA HN 107 GLU HB- 4.00 (# 2589:20 Unique 1.97, 4.01 A)
&rst
ixpk= 2589, nxpk= 20, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1685,1686,
&end
#
# 74 GLU HN 74 GLU HB+ 3.00 (# 2590:20 Unique 2.40, 2.93 A)
&rst
ixpk= 2590, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1164,1165,
&end
#
# 0 AMB 20-2:2591 74 GLU HB- 3.00 (# 2591:20 Single Ambig)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1175,1160,
igr2=1164,1165,
&end
#
# 140 ARG HN 140 ARG HB+ 4.00 (# 2592:20 Unique 2.37, 2.96 A)
&rst
ixpk= 2592, nxpk= 20, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2170,2171,
&end
#
# 33 GLU HN 33 GLU HB- 5.00 (# 2593:20 Unique 2.22, 3.31 A)
&rst
ixpk= 2593, nxpk= 20, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 519, 520,
&end
#
# 140 ARG HN 140 ARG HB- 5.00 (# 2594:20 Unique 2.37, 2.96 A)
&rst
ixpk= 2594, nxpk= 20, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2170,2171,
&end
#
# 29 HIS HA 29 HIS HB+ 5.00 (# 2595:20 Unique 2.16, 2.73 A)
&rst
ixpk= 2595, nxpk= 20, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 465, 466,
&end
#
# 66 GLU HN 66 GLU HB+ 3.00 (# 2596:20 Unique 2.18, 3.37 A)
&rst
ixpk= 2596, nxpk= 20, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1066,1067,
&end
#
# 0 AMB 20-2:2597 0 AMB 20-1:2597 3.00 (# 2597:20 Double Ambig)
&rst
ixpk= 2597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 515,1642,
igr2= 519, 520,1631,1632,
&end
#
# 0 AMB 20-2:2598 0 AMB 20-1:2598 3.00 (# 2598:20 Double Ambig)
&rst
ixpk= 2598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1062, 31,
igr2=1066,1067, 8, 9,
&end
#
# 29 HIS HN 29 HIS HB+ 4.00 (# 2599:20 Unique 2.44, 2.95 A)
&rst
ixpk= 2599, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 465, 466,
&end
#
# 29 HIS HN 29 HIS HB- 4.00 (# 2600:20 Unique 2.44, 2.95 A)
&rst
ixpk= 2600, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 465, 466,
&end
#
# 103 GLU HN 103 GLU HB- 4.00 (# 2601:20 Unique 2.14, 2.96 A)
&rst
ixpk= 2601, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1631,1632,
&end
#
# 18 GLU HN 18 GLU HB+ 3.00 (# 2602:20 Unique 2.11, 3.18 A)
&rst
ixpk= 2602, nxpk= 20, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 273, 274,
&end
#
# 103 GLU HN 103 GLU HB+ 4.00 (# 2603:20 Unique 2.14, 2.96 A)
&rst
ixpk= 2603, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1631,1632,
&end
#
# 18 GLU HN 18 GLU HB- 3.00 (# 2604:20 Unique 2.11, 3.18 A)
&rst
ixpk= 2604, nxpk= 20, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 273, 274,
&end
#
# 24 ARG HN 24 ARG HB+ 5.00 (# 2605:20 Unique 2.95, 3.57 A)
&rst
ixpk= 2605, nxpk= 20, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 371, 372,
&end
#
# 0 AMB 20-2:2606 0 AMB 20-1:2606 5.00 (# 2606:20 Double Ambig)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2143,1529,2282,
igr2=1501,1502,1501,1502,2292,2293,
&end
#
# 0 AMB 20-2:2607 0 AMB 20-1:2607 5.00 (# 2607:20 Double Ambig)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1369,1370,2044,2045,
igr2=1361,1362, 565, 566,
&end
#
# 87 GLN HN 87 GLN HB+ 3.00 (# 2608:20 Unique 2.41, 3.15 A)
&rst
ixpk= 2608, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1361,1362,
&end
#
# 22 PHE HN 20 LYS HG+ 6.00 (# 2610:20 Unique 1.85, 3.35 A)
&rst
ixpk= 2610, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 298, 299,
&end
#
# 134 GLY HN 133 HIS HB- 4.00 (# 2611:20 Unique 2.08, 4.06 A)
&rst
ixpk= 2611, nxpk= 20, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2072,2073,
&end
#
# 36 LYS HN 36 LYS HB+ 4.00 (# 2612:20 Unique 2.38, 3.57 A)
&rst
ixpk= 2612, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 565, 566,
&end
#
# 0 AMB 20-2:2613 21 LYS HD- 5.00 (# 2613:20 Single Ambig)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 335, 313,
igr2= 323, 324,
&end
#
# 22 PHE HD 21 LYS HD- 5.00 (# 2614:20 Unique 3.26, 5.79 A)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 343, 351,
igr2= 323, 324,
&end
#
# 133 HIS HN 133 HIS HB+ 3.00 (# 2615:20 Unique 2.09, 3.10 A)
&rst
ixpk= 2615, nxpk= 20, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2072,2073,
&end
#
# 134 GLY HN 133 HIS HB+ 4.00 (# 2616:20 Unique 2.08, 4.06 A)
&rst
ixpk= 2616, nxpk= 20, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2072,2073,
&end
#
# 133 HIS HN 133 HIS HB- 3.00 (# 2617:20 Unique 2.09, 3.10 A)
&rst
ixpk= 2617, nxpk= 20, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2072,2073,
&end
#
# 6 PHE HE 133 HIS HB- 6.00 (# 2620:20 Unique 2.57, 6.99 A)
&rst
ixpk= 2620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 86, 90,
igr2=2072,2073,
&end
#
# 46 GLN HN 46 GLN HB- 3.00 (# 2621:20 Unique 2.72, 3.28 A)
&rst
ixpk= 2621, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 734, 735,
&end
#
# 0 AMB 20-2:2622 46 GLN HB- 4.00 (# 2622:20 Single Ambig)
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 380, 747,
igr2= 734, 735,
&end
#
# 46 GLN HN 46 GLN HB+ 3.00 (# 2623:20 Unique 2.72, 3.28 A)
&rst
ixpk= 2623, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 734, 735,
&end
#
# 0 AMB 20-2:2624 0 AMB 20-1:2624 4.00 (# 2624:20 Double Ambig)
&rst
ixpk= 2624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 380, 747,
igr2= 734, 735, 734, 735,
&end
#
# 9 ILE HN 9 ILE HG1- 4.00 (# 2625:20 Unique 4.07, 4.25 A)
&rst
ixpk= 2625, nxpk= 20, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 133, 134,
&end
#
# 9 ILE HN 9 ILE HG1+ 6.00 (# 2627:20 Unique 4.07, 4.25 A)
&rst
ixpk= 2627, nxpk= 20, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 133, 134,
&end
#
# 58 LEU HN 58 LEU HG 5.00 (# 2628:20 Unique 2.13, 3.80 A)
&rst
ixpk= 2628, nxpk= 20, iat= 933, 940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 LEU HA 58 LEU HG 4.00 (# 2629:20 Unique 2.57, 3.34 A)
&rst
ixpk= 2629, nxpk= 20, iat= 935, 940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 ILE HN 15 ILE HG1- 5.00 (# 2630:20 Unique 3.77, 4.36 A)
&rst
ixpk= 2630, nxpk= 20, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 234, 235,
&end
#
# 13 LYS HN 13 LYS HD+ 5.00 (# 2633:20 Unique 2.65, 3.46 A)
&rst
ixpk= 2633, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 200, 201,
&end
#
# 140 ARG HN 140 ARG HG+ 4.00 (# 2636:20 Unique 1.85, 4.16 A)
&rst
ixpk= 2636, nxpk= 20, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2173,2174,
&end
#
# 0 AMB 20-2:2641 0 AMB 20-1:2641 3.00 (# 2641:20 Double Ambig)
&rst
ixpk= 2641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 747,1550,1563,
igr2= 757, 758,1557,1558,1557,1558,
&end
#
# 0 AMB 20-2:2642 0 AMB 20-1:2642 4.00 (# 2642:20 Double Ambig)
&rst
ixpk= 2642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2166,1754,
igr2=2173,2174,1761,
&end
#
# 100 GLU HN 99 ILE HG1- 4.00 (# 2643:20 Preassigned 2.61, 4.30 A)
&rst
ixpk= 2643, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1584,1585,
&end
#
# 47 ILE HN 47 ILE HG1+ 4.00 (# 2644:20 Unique 1.72, 2.68 A)
&rst
ixpk= 2644, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 757, 758,
&end
#
# 131 ASN HD2- 37 MET HG- 6.00 (# 2645:20 Unique 2.84, 5.10 A)
&rst
ixpk= 2645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2044,2045,
igr2= 590, 591,
&end
#
# 140 ARG HN 140 ARG HG+ 4.00 (# 2646:20 Unique 1.85, 4.16 A)
&rst
ixpk= 2646, nxpk= 20, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2173,2174,
&end
#
# 0 AMB 20-2:2648 0 AMB 20-1:2648 5.00 (# 2648:20 Double Ambig)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 600,1815,
igr2=1737,1738,1557,1558,2173,2174,
&end
#
# 0 AMB 20-2:2649 0 AMB 20-1:2649 4.00 (# 2649:20 Double Ambig)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1730,1992,2011,
igr2=1737,1738,1761,
&end
#
# 46 GLN HN 45 ILE HG1- 5.00 (# 2650:20 Unique 3.28, 4.22 A)
&rst
ixpk= 2650, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 721, 722,
&end
#
# 45 ILE HN 45 ILE HG1- 3.00 (# 2651:20 Unique 1.67, 2.71 A)
&rst
ixpk= 2651, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 721, 722,
&end
#
# 37 MET HN 37 MET HG+ 4.00 (# 2653:20 Unique 1.94, 3.54 A)
&rst
ixpk= 2653, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 590, 591,
&end
#
# 70 LEU HN 70 LEU HG 3.00 (# 2654:20 Unique 2.19, 2.69 A)
&rst
ixpk= 2654, nxpk= 20, iat=1110,1117, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 99 ILE HN 98 ARG HG+ 5.00 (# 2656:20 Unique 1.99, 3.86 A)
&rst
ixpk= 2656, nxpk= 20, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1557,1558,
&end
#
# 28 LEU HN 27 ARG HG+ 5.00 (# 2658:20 Unique 3.03, 3.80 A)
&rst
ixpk= 2658, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:2659 0 AMB 20-1:2659 4.00 (# 2659:20 Double Ambig)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1224,1238,
igr2=1214,1215,1214,1215,
&end
#
# 96 VAL HN 140 ARG HG+ 5.00 (# 2661:20 Unique 5.03, 6.93 A)
&rst
ixpk= 2661, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2173,2174,
&end
#
# 111 ARG HE 111 ARG HG- 6.00 (# 2663:20 Unique 2.33, 2.93 A)
&rst
ixpk= 2663, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1737,1738,
&end
#
# 0 AMB 20-2:2665 122 LEU HG 6.00 (# 2665:20 Single Ambig)
&rst
ixpk= 2665, nxpk= 20, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1917,1833,
&end
#
# 0 AMB 20-2:2670 70 LEU HG 5.00 (# 2670:20 Single Ambig)
&rst
ixpk= 2670, nxpk= 20, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1051,1056,2214,2223,
&end
#
# 0 AMB 20-2:2674 132 LEU MDY 5.00 (# 2674:20 Single Ambig)
&rst
ixpk= 2674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2166,1754,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 126 GLN HA 132 LEU MDY 6.00 (# 2675:20 Unique 2.88, 7.05 A)
&rst
ixpk= 2675, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 81 ARG HN 81 ARG HG+ 4.00 (# 2676:20 Unique 1.69, 2.92 A)
&rst
ixpk= 2676, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1269,1270,
&end
#
# 127 GLY HN 132 LEU MDY 4.00 (# 2679:20 Unique 2.50, 6.98 A)
&rst
ixpk= 2679, nxpk= 20, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 20-2:2680 132 LEU MDY 4.00 (# 2680:20 Single Ambig)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2081,2049,2044,2045,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 148 LEU HN 148 LEU HG 4.00 (# 2681:20 Unique 1.88, 2.04 A)
&rst
ixpk= 2681, nxpk= 20, iat=2326,2333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 PHE HN 148 LEU HG 6.00 (# 2683:20 Unique 4.48, 5.19 A)
&rst
ixpk= 2683, nxpk= 20, iat= 889,2333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 PHE HA 148 LEU HG 5.00 (# 2684:20 Unique 3.45, 4.07 A)
&rst
ixpk= 2684, nxpk= 20, iat= 891,2333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LEU HN 28 LEU HG 6.00 (# 2685:20 Unique 4.03, 4.57 A)
&rst
ixpk= 2685, nxpk= 20, iat= 442, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 148 LEU HN 147 LYS HG- 5.00 (# 2694:20 Unique 3.30, 4.21 A)
&rst
ixpk= 2694, nxpk= 20, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2311,2312,
&end
#
# 40 ILE HN 39 LEU HG 6.00 (# 2702:20 Unique 1.84, 2.20 A)
&rst
ixpk= 2702, nxpk= 20, iat= 631, 619, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 LEU HA 39 LEU HG 3.00 (# 2704:20 Unique 2.21, 2.40 A)
&rst
ixpk= 2704, nxpk= 20, iat= 614, 619, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2705 0 AMB 20-1:2705 5.00 (# 2705:20 Double Ambig)
&rst
ixpk= 2705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 633, 602,
igr2= 619,1965,1966,1967,1969,1970,1971,
&end
#
# 113 SER HN 112 LEU MDY 5.00 (# 2727:20 Unique 3.38, 5.19 A)
&rst
ixpk= 2727, nxpk= 20, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 129 ALA HN 112 LEU MDY 6.00 (# 2728:20 Unique 2.44, 5.10 A)
&rst
ixpk= 2728, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 0 AMB 20-2:2730 0 AMB 20-1:2730 3.00 (# 2730:20 Double Ambig)
&rst
ixpk= 2730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1183,1192,1802,1811,
igr2=1119,1120,1121,1123,1124,1125,1905,1906,1907,1909,
1910,1911,
&end
#
# 75 TYR HE 70 LEU MDX 3.00 (# 2732:20 Unique 2.71, 6.02 A)
&rst
ixpk= 2732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1185,1190,
igr2=1119,1120,1121,1123,1124,1125,
&end
#
# 117 SER HA 122 LEU MDY 5.00 (# 2738:20 Unique 3.00, 5.38 A)
&rst
ixpk= 2738, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1905,1906,1907,1909,1910,1911,
&end
#
# 20 LYS HN 20 LYS HD- 4.00 (# 2740:20 Unique 1.89, 4.69 A)
&rst
ixpk= 2740, nxpk= 20, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 301, 302,
&end
#
# 20 LYS HN 20 LYS HD+ 4.00 (# 2741:20 Unique 1.89, 4.69 A)
&rst
ixpk= 2741, nxpk= 20, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 301, 302,
&end
#
# 36 LYS HN 36 LYS HG+ 5.00 (# 2742:20 Unique 2.55, 3.56 A)
&rst
ixpk= 2742, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 568, 569,
&end
#
# 124 ARG HN 39 LEU MDX 5.00 (# 2744:20 Unique 3.06, 5.13 A)
&rst
ixpk= 2744, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 621, 622, 623, 625, 626, 627,
&end
#
# 55 LYS HA 55 LYS HG+ 6.00 (# 2746:20 Unique 2.34, 2.83 A)
&rst
ixpk= 2746, nxpk= 20, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 874, 875,
&end
#
# 40 ILE HN 39 LEU MDX 4.00 (# 2748:20 Unique 2.24, 4.18 A)
&rst
ixpk= 2748, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 621, 622, 623, 625, 626, 627,
&end
#
# 0 AMB 20-2:2749 39 LEU MDX 3.00 (# 2749:20 Single Ambig)
&rst
ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 614,1917,
igr2= 621, 622, 623, 625, 626, 627,
&end
#
# 0 AMB 20-2:2750 0 AMB 20-1:2750 5.00 (# 2750:20 Double Ambig)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 889, 174,
igr2= 874, 875, 874, 875,
&end
#
# 0 AMB 20-2:2751 55 LYS HG- 5.00 (# 2751:20 Single Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 889, 174,
igr2= 874, 875,
&end
#
# 96 VAL HN 95 LYS HG+ 4.00 (# 2752:20 Unique 2.30, 4.53 A)
&rst
ixpk= 2752, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1498,1499,
&end
#
# 0 AMB 20-2:2753 0 AMB 20-1:2753 4.00 (# 2753:20 Double Ambig)
&rst
ixpk= 2753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 313, 335,
igr2= 320, 321, 320, 321,
&end
#
# 0 AMB 20-2:2755 0 AMB 20-1:2755 4.00 (# 2755:20 Double Ambig)
&rst
ixpk= 2755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2246, 650,
igr2=2236,2237,2238,2240,2241,2242, 621, 622, 623, 625,
626, 627,
&end
#
# 0 AMB 20-2:2757 21 LYS HG- 4.00 (# 2757:20 Single Ambig)
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 313, 335,
igr2= 320, 321,
&end
#
# 0 AMB 20-2:2759 125 LEU MDY 5.00 (# 2759:20 Single Ambig)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 614,1917,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 126 GLN HN 125 LEU MDY 4.00 (# 2761:20 Unique 2.16, 5.08 A)
&rst
ixpk= 2761, nxpk= 20, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1965,1966,1967,1969,1970,1971,
&end
#
# 113 SER HN 112 LEU MDX 4.00 (# 2764:20 Unique 3.38, 5.19 A)
&rst
ixpk= 2764, nxpk= 20, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 129 ALA HN 112 LEU MDX 6.00 (# 2765:20 Unique 2.44, 5.10 A)
&rst
ixpk= 2765, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1763,1764,1765,1767,1768,1769,
&end
#
# 40 ILE HA 41 LEU MDY 5.00 (# 2766:20 Unique 4.22, 5.85 A)
&rst
ixpk= 2766, nxpk= 20, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 659, 660, 661, 663, 664, 665,
&end
#
# 0 AMB 20-2:2770 0 AMB 20-1:2770 4.00 (# 2770:20 Double Ambig)
&rst
ixpk= 2770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 212, 162,
igr2= 197, 198, 197, 198,
&end
#
# 124 ARG HN 122 LEU MDX 5.00 (# 2771:20 Unique 3.57, 5.85 A)
&rst
ixpk= 2771, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1905,1906,1907,1909,1910,1911,
&end
#
# 123 MET HN 122 LEU MDX 3.00 (# 2772:20 Unique 1.88, 4.01 A)
&rst
ixpk= 2772, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1905,1906,1907,1909,1910,1911,
&end
#
# 117 SER HA 122 LEU MDX 5.00 (# 2773:20 Unique 3.00, 5.38 A)
&rst
ixpk= 2773, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1905,1906,1907,1909,1910,1911,
&end
#
# 13 LYS HN 13 LYS HG+ 3.00 (# 2775:20 Unique 2.16, 3.15 A)
&rst
ixpk= 2775, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 197, 198,
&end
#
# 75 TYR HE 70 LEU MDY 3.00 (# 2776:20 Unique 2.71, 6.02 A)
&rst
ixpk= 2776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1185,1190,
igr2=1119,1120,1121,1123,1124,1125,
&end
#
# 0 AMB 20-2:2777 70 LEU MDY 4.00 (# 2777:20 Single Ambig)
&rst
ixpk= 2777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1141,1110,
igr2=1119,1120,1121,1123,1124,1125,
&end
#
# 0 AMB 20-2:2781 0 AMB 20-1:2781 4.00 (# 2781:20 Double Ambig)
&rst
ixpk= 2781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 480, 935,
igr2= 197, 198, 942, 943, 944, 946, 947, 948, 942, 943,
944, 946, 947, 948,
&end
#
# 0 AMB 20-2:2788 0 AMB 20-1:2788 5.00 (# 2788:20 Double Ambig)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1183,1192,1802,1811,
igr2=1119,1120,1121,1123,1124,1125,1905,1906,1907,1909,
1910,1911,
&end
#
# 28 LEU HN 28 LEU MDX 4.00 (# 2789:20 Unique 2.08, 4.17 A)
&rst
ixpk= 2789, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 451, 452, 453, 455, 456, 457,
&end
#
# 0 AMB 20-2:2790 28 LEU MDX 4.00 (# 2790:20 Single Ambig)
&rst
ixpk= 2790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 650, 461,
igr2= 451, 452, 453, 455, 456, 457,
&end
#
# 0 AMB 20-2:2791 132 LEU MDX 4.00 (# 2791:20 Single Ambig)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2081,2049,2044,2045,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 148 LEU HN 148 LEU MDX 4.00 (# 2794:20 Unique 2.64, 4.04 A)
&rst
ixpk= 2794, nxpk= 20, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2335,2336,2337,2339,2340,2341,
&end
#
# 149 ALA HN 148 LEU MDX 4.00 (# 2795:20 Unique 3.55, 5.09 A)
&rst
ixpk= 2795, nxpk= 20, iat=2345, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2335,2336,2337,2339,2340,2341,
&end
#
# 56 PHE HA 148 LEU MDX 5.00 (# 2796:20 Unique 4.09, 6.12 A)
&rst
ixpk= 2796, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2335,2336,2337,2339,2340,2341,
&end
#
# 115 TYR HD 122 LEU MDX 5.00 (# 2797:20 Unique 2.52, 6.85 A)
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1802,1811,
igr2=1905,1906,1907,1909,1910,1911,
&end
#
# 97 TYR HD 137 VAL MGX 6.00 (# 2801:20 Unique 5.50, 9.36 A)
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1537,1546,
igr2=2133,2134,2135,2137,2138,2139,
&end
#
# 142 TYR HN 141 VAL MGX 5.00 (# 2803:20 Unique 2.17, 4.88 A)
&rst
ixpk= 2803, nxpk= 20, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 141 VAL HN 141 VAL MGX 4.00 (# 2804:20 Unique 2.26, 3.71 A)
&rst
ixpk= 2804, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 8 ASP HN 59 VAL MGY 5.00 (# 2813:20 Unique 4.01, 5.63 A)
&rst
ixpk= 2813, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 958, 959, 960, 962, 963, 964,
&end
#
# 54 ASP HN 12 VAL MGX 4.00 (# 2819:20 Unique 2.03, 4.56 A)
&rst
ixpk= 2819, nxpk= 20, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 139 SER HN 96 VAL MGY 4.00 (# 2820:20 Unique 2.38, 5.05 A)
&rst
ixpk= 2820, nxpk= 20, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 55 LYS HA 12 VAL MGY 6.00 (# 2822:20 Unique 4.52, 6.75 A)
&rst
ixpk= 2822, nxpk= 20, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 30 CYS HA 12 VAL MGY 5.00 (# 2823:20 Unique 3.43, 4.84 A)
&rst
ixpk= 2823, nxpk= 20, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 7 GLU HA 59 VAL MGX 3.00 (# 2825:20 Unique 2.52, 4.17 A)
&rst
ixpk= 2825, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 958, 959, 960, 962, 963, 964,
&end
#
# 0 AMB 20-2:2827 0 AMB 20-1:2827 3.00 (# 2827:20 Double Ambig)
&rst
ixpk= 2827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1716, 461,
igr2=1722,1723,1724, 180, 181, 182, 184, 185, 186,
&end
#
# 13 LYS HN 12 VAL MGY 4.00 (# 2829:20 Unique 2.69, 4.20 A)
&rst
ixpk= 2829, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:2830 0 AMB 20-1:2830 3.00 (# 2830:20 Double Ambig)
&rst
ixpk= 2830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 174,1627,
igr2= 180, 181, 182, 184, 185, 186,1648,1649,1650,
&end
#
# 0 AMB 20-2:2831 104 THR MG2 4.00 (# 2831:20 Single Ambig)
&rst
ixpk= 2831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1656,1667,1681,
igr2=1648,1649,1650,
&end
#
# 0 AMB 20-2:2834 96 VAL MGY 3.00 (# 2834:20 Single Ambig)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1513,1529,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 45 ILE HN 25 VAL MGX 5.00 (# 2836:20 Unique 3.29, 4.87 A)
&rst
ixpk= 2836, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 397, 398, 399, 401, 402, 403,
&end
#
# 0 AMB 20-2:2837 0 AMB 20-1:2837 3.00 (# 2837:20 Double Ambig)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 391, 96,
igr2= 397, 398, 399, 401, 402, 403, 958, 959, 960, 962,
963, 964,
&end
#
# 7 GLU HA 59 VAL MGX 3.00 (# 2839:20 Unique 2.52, 4.17 A)
&rst
ixpk= 2839, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 958, 959, 960, 962, 963, 964,
&end
#
# 0 AMB 20-2:2840 0 AMB 20-1:2840 3.00 (# 2840:20 Double Ambig)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1794, 407,
igr2=1519,1520,1521,1523,1524,1525, 397, 398, 399, 401,
402, 403,
&end
#
# 116 VAL HN 116 VAL MGY 3.00 (# 2841:20 Unique 2.24, 4.17 A)
&rst
ixpk= 2841, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 104 THR HN 104 THR MG2 3.00 (# 2847:20 Unique 2.21, 3.52 A)
&rst
ixpk= 2847, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1648,1649,1650,
&end
#
# 0 AMB 20-2:2848 0 AMB 20-1:2848 4.00 (# 2848:20 Double Ambig)
&rst
ixpk= 2848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1696,1096,
igr2=1648,1649,1650,1102,1103,1104,
&end
#
# 11 ASP HA 12 VAL MGY 4.00 (# 2849:20 Preassigned 4.18, 5.87 A)
&rst
ixpk= 2849, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 20-2:2850 0 AMB 20-1:2850 3.00 (# 2850:20 Double Ambig)
&rst
ixpk= 2850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1550, 343, 351, 380,
igr2=1519,1520,1521,1523,1524,1525, 397, 398, 399, 401,
402, 403,
&end
#
# 0 AMB 20-2:2851 96 VAL MGX 3.00 (# 2851:20 Single Ambig)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1529,2143,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 78 THR HN 78 THR MG2 4.00 (# 2856:20 Unique 2.46, 3.91 A)
&rst
ixpk= 2856, nxpk= 20, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1230,1231,1232,
&end
#
# 0 AMB 20-2:2870 116 VAL MGX 4.00 (# 2870:20 Single Ambig)
&rst
ixpk= 2870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1915,1513,1529,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 117 SER HN 116 VAL MGX 3.00 (# 2871:20 Unique 2.39, 4.16 A)
&rst
ixpk= 2871, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 95 LYS HN 116 VAL MGX 5.00 (# 2872:20 Unique 2.70, 5.45 A)
&rst
ixpk= 2872, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 65 TYR HD 63 THR MG2 5.00 (# 2875:20 Unique 2.14, 5.28 A)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1049,1058,
igr2=1014,1015,1016,
&end
#
# 0 AMB 20-2:2878 116 VAL MGX 5.00 (# 2878:20 Single Ambig)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1537,1546,1802,1811,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 93 TYR HD 63 THR MG2 5.00 (# 2879:20 Unique 4.45, 7.76 A)
&rst
ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1471,1480,
igr2=1014,1015,1016,
&end
#
# 0 AMB 20-2:2881 114 ALA MB 3.00 (# 2881:20 Single Ambig)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1784,1956,
igr2=1788,1789,1790,
&end
#
# 115 TYR HN 114 ALA MB 4.00 (# 2882:20 Unique 2.06, 3.21 A)
&rst
ixpk= 2882, nxpk= 20, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1788,1789,1790,
&end
#
# 65 TYR HE 63 THR MG2 5.00 (# 2884:20 Preassigned 2.27, 6.73 A)
&rst
ixpk= 2884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1051,1056,
igr2=1014,1015,1016,
&end
#
# 115 TYR HE 114 ALA MB 6.00 (# 2889:20 Unique 4.31, 7.23 A)
&rst
ixpk= 2889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1804,1809,
igr2=1788,1789,1790,
&end
#
# 150 PHE HD 149 ALA MB 5.00 (# 2891:20 Unique 3.47, 6.81 A)
&rst
ixpk= 2891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2363,2371,
igr2=2349,2350,2351,
&end
#
# 149 ALA HN 149 ALA MB 3.00 (# 2892:20 Unique 2.36, 3.10 A)
&rst
ixpk= 2892, nxpk= 20, iat=2345, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2349,2350,2351,
&end
#
# 150 PHE HN 149 ALA MB 4.00 (# 2893:20 Unique 3.17, 4.39 A)
&rst
ixpk= 2893, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2349,2350,2351,
&end
#
# 2 ALA HN 2 ALA MB 6.00 (# 2894:20 Unique 2.39, 3.04 A)
&rst
ixpk= 2894, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 25, 26, 27,
&end
#
# 26 SER HN 45 ILE QG2 4.00 (# 2895:20 Unique 1.69, 2.89 A)
&rst
ixpk= 2895, nxpk= 20, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 717, 718, 719,
&end
#
# 46 GLN HN 45 ILE QG2 6.00 (# 2896:20 Unique 4.56, 5.19 A)
&rst
ixpk= 2896, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 717, 718, 719,
&end
#
# 45 ILE HN 45 ILE QG2 3.00 (# 2897:20 Unique 2.04, 3.31 A)
&rst
ixpk= 2897, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 717, 718, 719,
&end
#
# 109 ALA HN 0 AMB 20-1:2900 3.00 (# 2900:20 Single Ambig)
&rst
ixpk= 2900, nxpk= 20, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1700,1701,1702,1710,1711,1712,
&end
#
# 108 ALA HN 108 ALA MB 3.00 (# 2901:20 Unique 2.40, 3.29 A)
&rst
ixpk= 2901, nxpk= 20, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1700,1701,1702,
&end
#
# 110 THR HN 109 ALA MB 3.00 (# 2903:20 Unique 2.03, 3.51 A)
&rst
ixpk= 2903, nxpk= 20, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1710,1711,1712,
&end
#
# 103 GLU HN 109 ALA MB 3.00 (# 2904:20 Unique 1.90, 3.38 A)
&rst
ixpk= 2904, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1710,1711,1712,
&end
#
# 0 AMB 20-2:2906 109 ALA MB 4.00 (# 2906:20 Single Ambig)
&rst
ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1642,1730,
igr2=1710,1711,1712,
&end
#
# 130 ASN HN 129 ALA MB 3.00 (# 2909:20 Unique 2.54, 3.63 A)
&rst
ixpk= 2909, nxpk= 20, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2015,2016,2017,
&end
#
# 129 ALA HN 129 ALA MB 3.00 (# 2910:20 Unique 2.32, 2.84 A)
&rst
ixpk= 2910, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2015,2016,2017,
&end
#
# 0 AMB 20-2:2911 129 ALA MB 5.00 (# 2911:20 Single Ambig)
&rst
ixpk= 2911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2081,2049,
igr2=2015,2016,2017,
&end
#
# 86 ASP HN 85 ALA MB 4.00 (# 2915:20 Unique 2.60, 4.23 A)
&rst
ixpk= 2915, nxpk= 20, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1339,1340,1341,
&end
#
# 87 GLN HE2- 85 ALA MB 5.00 (# 2917:20 Unique 2.82, 5.42 A)
&rst
ixpk= 2917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1369,1370,
igr2=1339,1340,1341,
&end
#
# 0 AMB 20-2:2927 9 ILE QG2 6.00 (# 2927:20 Single Ambig)
&rst
ixpk= 2927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 515,2326,
igr2= 129, 130, 131,
&end
#
# 142 TYR HN 141 VAL MGY 4.00 (# 2928:20 Unique 2.17, 4.88 A)
&rst
ixpk= 2928, nxpk= 20, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 141 VAL HN 141 VAL MGY 3.00 (# 2929:20 Unique 2.26, 3.71 A)
&rst
ixpk= 2929, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 142 TYR HE 141 VAL MGY 5.00 (# 2932:20 Unique 2.72, 6.90 A)
&rst
ixpk= 2932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2216,2221,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 142 TYR HA 141 VAL MGY 6.00 (# 2933:20 Unique 3.82, 5.96 A)
&rst
ixpk= 2933, nxpk= 20, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 9 ILE HN 9 ILE QG2 4.00 (# 2934:20 Unique 3.93, 4.45 A)
&rst
ixpk= 2934, nxpk= 20, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 129, 130, 131,
&end
#
# 10 PHE HN 9 ILE QG2 3.00 (# 2935:20 Unique 2.16, 3.11 A)
&rst
ixpk= 2935, nxpk= 20, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 129, 130, 131,
&end
#
# 0 AMB 20-2:2936 9 ILE QG2 6.00 (# 2936:20 Single Ambig)
&rst
ixpk= 2936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 150, 158, 897, 905,
igr2= 129, 130, 131,
&end
#
# 56 PHE HN 9 ILE QG2 4.00 (# 2937:20 Unique 3.16, 4.40 A)
&rst
ixpk= 2937, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 129, 130, 131,
&end
#
# 55 LYS HA 9 ILE QG2 5.00 (# 2938:20 Unique 3.39, 4.86 A)
&rst
ixpk= 2938, nxpk= 20, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 129, 130, 131,
&end
#
# 94 GLY HN 141 VAL MGY 4.00 (# 2939:20 Unique 2.02, 4.91 A)
&rst
ixpk= 2939, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 138 ASP HN 141 VAL MGY 6.00 (# 2940:20 Unique 4.66, 6.85 A)
&rst
ixpk= 2940, nxpk= 20, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 58 LEU HN 9 ILE QG2 6.00 (# 2941:20 Unique 6.27, 6.99 A)
&rst
ixpk= 2941, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 129, 130, 131,
&end
#
# 28 LEU HN 15 ILE QG2 6.00 (# 2942:20 Unique 5.20, 6.71 A)
&rst
ixpk= 2942, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 230, 231, 232,
&end
#
# 48 TYR HN 47 ILE QG2 4.00 (# 2946:20 Unique 3.94, 4.86 A)
&rst
ixpk= 2946, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 753, 754, 755,
&end
#
# 47 ILE HN 47 ILE QG2 4.00 (# 2947:20 Unique 4.11, 4.52 A)
&rst
ixpk= 2947, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 753, 754, 755,
&end
#
# 48 TYR HD 47 ILE QG2 5.00 (# 2949:20 Preassigned 3.75, 5.79 A)
&rst
ixpk= 2949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 774, 783,
igr2= 753, 754, 755,
&end
#
# 16 ASP HN 15 ILE QG2 3.00 (# 2957:20 Unique 2.60, 3.40 A)
&rst
ixpk= 2957, nxpk= 20, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 230, 231, 232,
&end
#
# 100 GLU HN 99 ILE QG2 4.00 (# 2958:20 Unique 3.25, 4.33 A)
&rst
ixpk= 2958, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1580,1581,1582,
&end
#
# 15 ILE HN 15 ILE QG2 4.00 (# 2960:20 Preassigned 4.30, 4.77 A)
&rst
ixpk= 2960, nxpk= 20, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 230, 231, 232,
&end
#
# 124 ARG HN 40 ILE QG2 4.00 (# 2961:20 Unique 2.23, 3.71 A)
&rst
ixpk= 2961, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 637, 638, 639,
&end
#
# 41 LEU HN 40 ILE QG2 3.00 (# 2962:20 Unique 2.86, 3.98 A)
&rst
ixpk= 2962, nxpk= 20, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 637, 638, 639,
&end
#
# 40 ILE HN 40 ILE QG2 5.00 (# 2963:20 Unique 2.81, 3.94 A)
&rst
ixpk= 2963, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 637, 638, 639,
&end
#
# 40 ILE HA 40 ILE QG2 3.00 (# 2964:20 Unique 3.30, 3.81 A)
&rst
ixpk= 2964, nxpk= 20, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 637, 638, 639,
&end
#
# 48 TYR HN 45 ILE QD1 6.00 (# 2974:20 Unique 4.22, 5.40 A)
&rst
ixpk= 2974, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 724, 725, 726,
&end
#
# 46 GLN HN 45 ILE QD1 4.00 (# 2977:20 Unique 2.33, 3.89 A)
&rst
ixpk= 2977, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 724, 725, 726,
&end
#
# 45 ILE HN 45 ILE QD1 3.00 (# 2978:20 Unique 2.76, 3.82 A)
&rst
ixpk= 2978, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 724, 725, 726,
&end
#
# 0 AMB 20-2:2982 0 AMB 20-1:2982 3.00 (# 2982:20 Double Ambig)
&rst
ixpk= 2982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 224,1773,
igr2= 237, 238, 239,1587,1588,1589,
&end
#
# 100 GLU HN 99 ILE QD1 5.00 (# 2983:20 Unique 2.79, 4.13 A)
&rst
ixpk= 2983, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1587,1588,1589,
&end
#
# 44 ASN HD2+ 47 ILE QD1 4.00 (# 2984:20 Unique 2.22, 4.77 A)
&rst
ixpk= 2984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 706, 707,
igr2= 760, 761, 762,
&end
#
# 48 TYR HN 47 ILE QD1 6.00 (# 2985:20 Unique 3.18, 5.13 A)
&rst
ixpk= 2985, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 760, 761, 762,
&end
#
# 56 PHE HD 47 ILE QD1 4.00 (# 2986:20 Unique 3.33, 7.21 A)
&rst
ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 897, 905,
igr2= 760, 761, 762,
&end
#
# 0 AMB 20-2:2987 47 ILE QD1 5.00 (# 2987:20 Single Ambig)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1419,1424, 774, 783,
igr2= 760, 761, 762,
&end
#
# 47 ILE HN 47 ILE QD1 4.00 (# 2988:20 Unique 1.79, 3.76 A)
&rst
ixpk= 2988, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 760, 761, 762,
&end
#
# 44 ASN HD2- 47 ILE QD1 4.00 (# 2989:20 Unique 2.22, 4.77 A)
&rst
ixpk= 2989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 706, 707,
igr2= 760, 761, 762,
&end
#
# 58 LEU HN 9 ILE QD1 5.00 (# 2990:20 Unique 4.32, 5.77 A)
&rst
ixpk= 2990, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 136, 137, 138,
&end
#
# 0 AMB 20-2:2991 9 ILE QD1 6.00 (# 2991:20 Single Ambig)
&rst
ixpk= 2991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 142, 909,
igr2= 136, 137, 138,
&end
#
# 9 ILE HN 9 ILE QD1 3.00 (# 2992:20 Unique 2.69, 3.54 A)
&rst
ixpk= 2992, nxpk= 20, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 136, 137, 138,
&end
#
# 48 TYR HD 47 ILE QD1 4.00 (# 2997:20 Unique 2.86, 5.77 A)
&rst
ixpk= 2997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 774, 783,
igr2= 760, 761, 762,
&end
#
# 29 HIS HA 40 ILE QD1 4.00 (# 3002:20 Unique 2.18, 3.95 A)
&rst
ixpk= 3002, nxpk= 20, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 644, 645, 646,
&end
#
# 40 ILE HA 40 ILE QD1 3.00 (# 3003:20 Unique 2.50, 3.69 A)
&rst
ixpk= 3003, nxpk= 20, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 644, 645, 646,
&end
#
# 41 LEU HN 40 ILE QD1 4.00 (# 3004:20 Unique 1.91, 3.84 A)
&rst
ixpk= 3004, nxpk= 20, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 644, 645, 646,
&end
#
# 65 TYR HD 69 THR HB 6.00 (# 3005:20 Unique 4.02, 6.71 A)
&rst
ixpk= 3005, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1049,1058,
&end
#
# 69 THR HN 69 THR HB 3.00 (# 3020:20 Unique 2.78, 3.19 A)
&rst
ixpk= 3020, nxpk= 20, iat=1096,1100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:3025 26 SER HB- 6.00 (# 3025:20 Single Ambig)
&rst
ixpk= 3025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 226, 444,
igr2= 411, 412,
&end
#
# 132 LEU MDY 113 SER HB+ 6.00 (# 3037:20 Unique 4.91, 8.06 A)
&rst
ixpk= 3037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2058,2059,2060,2062,2063,2064,
igr2=1777,1778,
&end
#
# 126 GLN HB+ 113 SER HB+ 6.00 (# 3038:20 Unique 2.36, 4.75 A)
&rst
ixpk= 3038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1979,1980,
igr2=1777,1778,
&end
#
# 114 ALA HA 113 SER HB+ 6.00 (# 3042:20 Unique 3.72, 4.67 A)
&rst
ixpk= 3042, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1777,1778,
&end
#
# 115 TYR HD 113 SER HB+ 6.00 (# 3044:20 Unique 4.34, 7.10 A)
&rst
ixpk= 3044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1802,1811,
igr2=1777,1778,
&end
#
# 0 AMB 20-2:3046 0 AMB 20-1:3046 6.00 (# 3046:20 Double Ambig)
&rst
ixpk= 3046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1979,1980,1290,1291,
igr2=1777,1778,1304,1305,
&end
#
# 0 AMB 20-2:3048 0 AMB 20-1:3048 6.00 (# 3048:20 Double Ambig)
&rst
ixpk= 3048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1817,1844,
igr2=1835,1836,1835,1836,
&end
#
# 136 GLU HB+ 139 SER HB- 6.00 (# 3050:20 Unique 2.58, 6.53 A)
&rst
ixpk= 3050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2116,2117,
igr2=2159,2160,
&end
#
# 136 GLU HB+ 139 SER HB+ 6.00 (# 3051:20 Unique 2.58, 6.53 A)
&rst
ixpk= 3051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2116,2117,
igr2=2159,2160,
&end
#
# 136 GLU HG+ 139 SER HB- 6.00 (# 3052:20 Unique 2.26, 6.71 A)
&rst
ixpk= 3052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2119,2120,
igr2=2159,2160,
&end
#
# 136 GLU HG+ 139 SER HB+ 6.00 (# 3053:20 Unique 2.26, 6.71 A)
&rst
ixpk= 3053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2119,2120,
igr2=2159,2160,
&end
#
# 96 VAL HB 139 SER HB+ 6.00 (# 3054:20 Unique 3.74, 7.70 A)
&rst
ixpk= 3054, nxpk= 20, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2159,2160,
&end
#
# 96 VAL HB 139 SER HB- 6.00 (# 3055:20 Unique 3.74, 7.70 A)
&rst
ixpk= 3055, nxpk= 20, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2159,2160,
&end
#
# 139 SER HA 139 SER HB- 3.00 (# 3056:20 Unique 2.20, 2.63 A)
&rst
ixpk= 3056, nxpk= 20, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2159,2160,
&end
#
# 139 SER HA 139 SER HB+ 3.00 (# 3057:20 Unique 2.20, 2.63 A)
&rst
ixpk= 3057, nxpk= 20, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2159,2160,
&end
#
# 0 AMB 20-2:3059 0 AMB 20-1:3059 6.00 (# 3059:20 Double Ambig)
&rst
ixpk= 3059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1513,2085,
igr2=2159,2160,2159,2160,
&end
#
# 0 AMB 20-2:3060 139 SER HB- 6.00 (# 3060:20 Single Ambig)
&rst
ixpk= 3060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1513,2085,
igr2=2159,2160,
&end
#
# 141 VAL HN 139 SER HB- 4.00 (# 3061:20 Unique 4.69, 6.16 A)
&rst
ixpk= 3061, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2159,2160,
&end
#
# 0 AMB 20-2:3063 17 PRO HA 6.00 (# 3063:20 Single Ambig)
&rst
ixpk= 3063, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 230, 231, 232, 724, 725, 726,
&end
#
# 17 PRO HD+ 17 PRO HA 5.00 (# 3064:20 Unique 3.57, 3.81 A)
&rst
ixpk= 3064, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 256, 257,
&end
#
# 26 SER HA 17 PRO HA 6.00 (# 3065:20 Unique 2.48, 3.28 A)
&rst
ixpk= 3065, nxpk= 20, iat= 409, 265, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 GLY HN 17 PRO HA 6.00 (# 3066:20 Unique 3.34, 4.52 A)
&rst
ixpk= 3066, nxpk= 20, iat= 284, 265, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 GLU HN 17 PRO HA 3.00 (# 3067:20 Unique 2.17, 2.64 A)
&rst
ixpk= 3067, nxpk= 20, iat= 269, 265, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 82 PRO HG+ 82 PRO HA 4.00 (# 3076:20 Unique 2.77, 3.67 A)
&rst
ixpk= 3076, nxpk= 20, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1290,1291,
&end
#
# 32 SER HA 32 SER HB+ 5.00 (# 3080:20 Unique 2.16, 2.50 A)
&rst
ixpk= 3080, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 508, 509,
&end
#
# 33 GLU HN 32 SER HB+ 6.00 (# 3082:20 Unique 2.39, 3.57 A)
&rst
ixpk= 3082, nxpk= 20, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 508, 509,
&end
#
# 33 GLU HN 32 SER HB- 6.00 (# 3083:20 Unique 2.39, 3.57 A)
&rst
ixpk= 3083, nxpk= 20, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 508, 509,
&end
#
# 0 AMB 20-2:3084 0 AMB 20-1:3084 5.00 (# 3084:20 Double Ambig)
&rst
ixpk= 3084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 504, 541,
igr2= 508, 509, 508, 509,
&end
#
# 0 AMB 20-2:3087 0 AMB 20-1:3087 6.00 (# 3087:20 Double Ambig)
&rst
ixpk= 3087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 561,2030,2031,
igr2= 534, 535, 534, 535,
&end
#
# 35 PHE HD 32 SER HB- 6.00 (# 3089:20 Unique 3.27, 6.53 A)
&rst
ixpk= 3089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 549, 557,
igr2= 508, 509,
&end
#
# 47 ILE HN 45 ILE HA 4.00 (# 3094:20 Unique 2.85, 3.38 A)
&rst
ixpk= 3094, nxpk= 20, iat= 747, 713, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 GLU HN 99 ILE HA 3.00 (# 3101:20 Unique 2.30, 2.65 A)
&rst
ixpk= 3101, nxpk= 20, iat=1593,1576, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 99 ILE HN 99 ILE HA 5.00 (# 3102:20 Unique 2.73, 2.89 A)
&rst
ixpk= 3102, nxpk= 20, iat=1574,1576, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ILE QD1 99 ILE HA 4.00 (# 3103:20 Preassigned 4.01, 4.57 A)
&rst
ixpk= 3103, nxpk= 20, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1587,1588,1589,
&end
#
# 0 AMB 20-2:3104 99 ILE HA 6.00 (# 3104:20 Single Ambig)
&rst
ixpk= 3104, nxpk= 20, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2133,2134,2135,2137,2138,2139,2133,2134,2135,2137,
2138,2139,
&end
#
# 0 AMB 20-2:3105 40 ILE HA 6.00 (# 3105:20 Single Ambig)
&rst
ixpk= 3105, nxpk= 20, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 616, 617, 446, 447,
&end
#
# 34 SER HN 33 GLU HA 6.00 (# 3108:20 Unique 3.38, 3.59 A)
&rst
ixpk= 3108, nxpk= 20, iat= 530, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 150 PHE HD 150 PHE HA 6.00 (# 3117:20 Unique 2.30, 3.52 A)
&rst
ixpk= 3117, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2363,2371,
&end
#
# 149 ALA HN 150 PHE HA 6.00 (# 3118:20 Unique 4.29, 5.04 A)
&rst
ixpk= 3118, nxpk= 20, iat=2345,2357, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 GLN HB+ 46 GLN HA 3.00 (# 3124:20 Unique 2.29, 2.48 A)
&rst
ixpk= 3124, nxpk= 20, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 734, 735,
&end
#
# 135 PHE HB+ 135 PHE HA 5.00 (# 3125:20 Unique 2.41, 2.77 A)
&rst
ixpk= 3125, nxpk= 20, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2096,2097,
&end
#
# 45 ILE QD1 46 GLN HA 5.00 (# 3133:20 Unique 2.44, 3.63 A)
&rst
ixpk= 3133, nxpk= 20, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 724, 725, 726,
&end
#
# 46 GLN HN 46 GLN HA 3.00 (# 3135:20 Unique 2.77, 2.84 A)
&rst
ixpk= 3135, nxpk= 20, iat= 730, 732, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 75 TYR HN 75 TYR HA 3.00 (# 3136:20 Unique 2.20, 2.82 A)
&rst
ixpk= 3136, nxpk= 20, iat=1175,1177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 PHE HN 88 PHE HA 5.00 (# 3137:20 Unique 2.21, 2.90 A)
&rst
ixpk= 3137, nxpk= 20, iat=1374,1376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 HIS HD2 133 HIS HA 6.00 (# 3140:20 Unique 2.41, 3.82 A)
&rst
ixpk= 3140, nxpk= 20, iat=2081,2070, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 GLU HB- 66 GLU HA 3.00 (# 3159:20 Unique 2.17, 2.57 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1066,1067,
&end
#
# 0 AMB 20-2:3161 36 LYS HA 6.00 (# 3161:20 Single Ambig)
&rst
ixpk= 3161, nxpk= 20, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 504, 541,
&end
#
# 13 LYS HE+ 13 LYS HA 5.00 (# 3164:20 Unique 2.30, 3.64 A)
&rst
ixpk= 3164, nxpk= 20, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 203, 204,
&end
#
# 76 ASN HD2+ 74 GLU HA 6.00 (# 3167:20 Unique 2.98, 4.93 A)
&rst
ixpk= 3167, nxpk= 20, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1205,1206,
&end
#
# 17 PRO HB+ 23 ASP HA 6.00 (# 3172:20 Unique 2.23, 4.32 A)
&rst
ixpk= 3172, nxpk= 20, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 262, 263,
&end
#
# 130 ASN HN 128 ASP HA 6.00 (# 3175:20 Unique 4.13, 4.40 A)
&rst
ixpk= 3175, nxpk= 20, iat=2021,2001, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 147 LYS HA 56 PHE HA 4.00 (# 3176:20 Unique 1.99, 2.29 A)
&rst
ixpk= 3176, nxpk= 20, iat=2306, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 130 ASN HN 129 ALA HA 6.00 (# 3181:20 Unique 3.53, 3.57 A)
&rst
ixpk= 3181, nxpk= 20, iat=2021,2013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 HIS HB- 29 HIS HA 6.00 (# 3192:20 Unique 2.16, 2.73 A)
&rst
ixpk= 3192, nxpk= 20, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 465, 466,
&end
#
# 126 GLN HN 126 GLN HA 5.00 (# 3194:20 Unique 2.92, 2.97 A)
&rst
ixpk= 3194, nxpk= 20, iat=1975,1977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 LEU MDX 39 LEU HA 4.00 (# 3195:20 Unique 2.52, 4.20 A)
&rst
ixpk= 3195, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 621, 622, 623, 625, 626, 627,
&end
#
# 125 LEU HA 39 LEU HA 4.00 (# 3196:20 Unique 2.24, 2.46 A)
&rst
ixpk= 3196, nxpk= 20, iat=1958, 614, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3197 39 LEU HA 4.00 (# 3197:20 Single Ambig)
&rst
ixpk= 3197, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 612,1956,
&end
#
# 0 AMB 20-2:3198 125 LEU HA 5.00 (# 3198:20 Single Ambig)
&rst
ixpk= 3198, nxpk= 20, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1960,1961, 616, 617,
&end
#
# 125 LEU HB- 125 LEU HA 6.00 (# 3201:20 Unique 2.19, 2.56 A)
&rst
ixpk= 3201, nxpk= 20, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1960,1961,
&end
#
# 0 AMB 20-2:3203 112 LEU HA 3.00 (# 3203:20 Single Ambig)
&rst
ixpk= 3203, nxpk= 20, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1758,1759,1761,
&end
#
# 113 SER HN 112 LEU HA 3.00 (# 3204:20 Unique 2.28, 2.41 A)
&rst
ixpk= 3204, nxpk= 20, iat=1773,1756, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:3208 11 ASP HA 6.00 (# 3208:20 Single Ambig)
&rst
ixpk= 3208, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 178, 859, 860,
&end
#
# 2 ALA HN 2 ALA HA 6.00 (# 3209:20 Unique 2.21, 2.74 A)
&rst
ixpk= 3209, nxpk= 20, iat= 21, 23, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 ASN HN 77 PRO HD+ 6.00 (# 3217:20 Unique 1.98, 4.48 A)
&rst
ixpk= 3217, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1211,1212,
&end
#
# 76 ASN HN 77 PRO HD- 5.00 (# 3218:20 Unique 1.98, 4.48 A)
&rst
ixpk= 3218, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1211,1212,
&end
#
# 0 AMB 20-2:3219 0 AMB 20-1:3219 6.00 (# 3219:20 Double Ambig)
&rst
ixpk= 3219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1224,1238,
igr2=1211,1212,1287,1288,
&end
#
# 75 TYR HD 77 PRO HD- 6.00 (# 3222:20 Unique 3.21, 6.54 A)
&rst
ixpk= 3222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1183,1192,
igr2=1211,1212,
&end
#
# 75 TYR HD 77 PRO HD+ 6.00 (# 3223:20 Unique 3.21, 6.54 A)
&rst
ixpk= 3223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1183,1192,
igr2=1211,1212,
&end
#
# 76 ASN HB+ 77 PRO HD- 6.00 (# 3224:20 Unique 2.25, 4.05 A)
&rst
ixpk= 3224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1200,1201,
igr2=1211,1212,
&end
#
# 92 MET HA 119 GLY HA+ 6.00 (# 3238:20 Unique 5.44, 6.84 A)
&rst
ixpk= 3238, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1865,1866,
&end
#
# 92 MET HA 119 GLY HA- 6.00 (# 3239:20 Unique 5.44, 6.84 A)
&rst
ixpk= 3239, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1865,1866,
&end
#
# 0 AMB 20-2:3240 0 AMB 20-1:3240 4.00 (# 3240:20 Double Ambig)
&rst
ixpk= 3240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 621, 622, 623, 625, 626, 627,2236,2237,2238,2240,
2241,2242,2236,2237,2238,2240,2241,2242,
igr2= 654, 655, 654, 655, 654, 655,
&end
#
# 119 GLY HN 119 GLY HA- 6.00 (# 3241:20 Unique 2.25, 2.53 A)
&rst
ixpk= 3241, nxpk= 20, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1865,1866,
&end
#
# 41 LEU MDY 41 LEU HB+ 5.00 (# 3243:20 Unique 2.29, 3.33 A)
&rst
ixpk= 3243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 659, 660, 661, 663, 664, 665,
igr2= 654, 655,
&end
#
# 41 LEU HN 41 LEU HB+ 6.00 (# 3246:20 Unique 3.38, 3.67 A)
&rst
ixpk= 3246, nxpk= 20, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 654, 655,
&end
#
# 58 LEU HA 58 LEU HB+ 6.00 (# 3247:20 Unique 2.26, 2.60 A)
&rst
ixpk= 3247, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 937, 938,
&end
#
# 58 LEU HA 58 LEU HB- 6.00 (# 3248:20 Unique 2.26, 2.60 A)
&rst
ixpk= 3248, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 937, 938,
&end
#
# 6 PHE HD 58 LEU HB- 6.00 (# 3249:20 Unique 4.76, 8.83 A)
&rst
ixpk= 3249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 84, 92,
igr2= 937, 938,
&end
#
# 58 LEU HN 58 LEU HB- 6.00 (# 3250:20 Unique 2.40, 3.25 A)
&rst
ixpk= 3250, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 937, 938,
&end
#
# 118 TYR HA 94 GLY HA+ 5.00 (# 3252:20 Unique 1.91, 2.55 A)
&rst
ixpk= 3252, nxpk= 20, iat=1844, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1486,1487,
&end
#
# 116 VAL MGX 94 GLY HA+ 5.00 (# 3254:20 Unique 3.00, 6.88 A)
&rst
ixpk= 3254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1821,1822,1823,1825,1826,1827,
igr2=1486,1487,
&end
#
# 132 LEU MDY 125 LEU HB+ 6.00 (# 3255:20 Unique 2.49, 6.60 A)
&rst
ixpk= 3255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2058,2059,2060,2062,2063,2064,
igr2=1960,1961,
&end
#
# 132 LEU MDY 125 LEU HB- 6.00 (# 3256:20 Unique 2.49, 6.60 A)
&rst
ixpk= 3256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2058,2059,2060,2062,2063,2064,
igr2=1960,1961,
&end
#
# 126 GLN HN 125 LEU HB+ 6.00 (# 3257:20 Unique 2.52, 3.70 A)
&rst
ixpk= 3257, nxpk= 20, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1960,1961,
&end
#
# 126 GLN HN 125 LEU HB- 6.00 (# 3258:20 Unique 2.52, 3.70 A)
&rst
ixpk= 3258, nxpk= 20, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1960,1961,
&end
#
# 111 ARG HG+ 127 GLY HA- 6.00 (# 3259:20 Unique 2.51, 5.44 A)
&rst
ixpk= 3259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1737,1738,
igr2=1994,1995,
&end
#
# 0 AMB 20-2:3277 0 AMB 20-1:3277 6.00 (# 3277:20 Double Ambig)
&rst
ixpk= 3277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=1761,1737,1738,1557,1558,
igr2=1610,1611,1994,1995,
&end
#
# 100 GLU HA 101 GLY HA- 5.00 (# 3279:20 Unique 4.55, 4.75 A)
&rst
ixpk= 3279, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1610,1611,
&end
#
# 6 PHE HD 8 ASP HB- 5.00 (# 3282:20 Unique 2.54, 5.09 A)
&rst
ixpk= 3282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 84, 92,
igr2= 115, 116,
&end
#
# 144 LEU HA 144 LEU HB+ 4.00 (# 3285:20 Unique 2.31, 2.75 A)
&rst
ixpk= 3285, nxpk= 20, iat=2248, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2250,2251,
&end
#
# 59 VAL MGX 144 LEU HB- 6.00 (# 3286:20 Unique 2.26, 4.20 A)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 958, 959, 960, 962, 963, 964,
igr2=2250,2251,
&end
#
# 123 MET HN 122 LEU HB+ 6.00 (# 3290:20 Unique 2.06, 3.81 A)
&rst
ixpk= 3290, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1900,1901,
&end
#
# 0 AMB 20-2:3292 0 AMB 20-1:3292 6.00 (# 3292:20 Double Ambig)
&rst
ixpk= 3292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 444, 226,
igr2= 446, 447, 446, 447,
&end
#
# 29 HIS HN 28 LEU HB+ 6.00 (# 3293:20 Unique 2.46, 3.48 A)
&rst
ixpk= 3293, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 28 LEU HN 28 LEU HB+ 6.00 (# 3294:20 Unique 2.82, 3.43 A)
&rst
ixpk= 3294, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 28 LEU HN 28 LEU HB- 6.00 (# 3295:20 Unique 2.82, 3.43 A)
&rst
ixpk= 3295, nxpk= 20, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 29 HIS HN 14 ASP HB- 6.00 (# 3296:20 Unique 1.89, 3.09 A)
&rst
ixpk= 3296, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 216, 217,
&end
#
# 29 HIS HB+ 14 ASP HB+ 4.00 (# 3300:20 Unique 2.06, 2.68 A)
&rst
ixpk= 3300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 465, 466,
igr2= 216, 217,
&end
#
# 12 VAL MGX 14 ASP HB+ 6.00 (# 3301:20 Unique 4.61, 6.85 A)
&rst
ixpk= 3301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 180, 181, 182, 184, 185, 186,
igr2= 216, 217,
&end
#
# 12 VAL MGX 14 ASP HB- 6.00 (# 3302:20 Unique 4.61, 6.85 A)
&rst
ixpk= 3302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 180, 181, 182, 184, 185, 186,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:3306 14 ASP HB- 6.00 (# 3306:20 Single Ambig)
&rst
ixpk= 3306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 422, 423, 425, 426,
igr2= 216, 217,
&end
#
# 14 ASP HB+ 29 HIS HB+ 6.00 (# 3311:20 Unique 2.06, 2.68 A)
&rst
ixpk= 3311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 216, 217,
igr2= 465, 466,
&end
#
# 40 ILE QD1 29 HIS HB- 6.00 (# 3312:20 Unique 2.25, 4.47 A)
&rst
ixpk= 3312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 644, 645, 646,
igr2= 465, 466,
&end
#
# 0 AMB 20-2:3313 29 HIS HB- 6.00 (# 3313:20 Single Ambig)
&rst
ixpk= 3313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 444, 226,
igr2= 465, 466,
&end
#
# 29 HIS HA 29 HIS HB- 6.00 (# 3314:20 Unique 2.16, 2.73 A)
&rst
ixpk= 3314, nxpk= 20, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 465, 466,
&end
#
# 14 ASP HN 29 HIS HB+ 6.00 (# 3315:20 Unique 2.28, 3.62 A)
&rst
ixpk= 3315, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 465, 466,
&end
#
# 14 ASP HN 29 HIS HB- 6.00 (# 3316:20 Unique 2.28, 3.62 A)
&rst
ixpk= 3316, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 465, 466,
&end
#
# 0 AMB 20-2:3317 0 AMB 20-1:3317 6.00 (# 3317:20 Double Ambig)
&rst
ixpk= 3317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1079,1658,
igr2=1066,1067,1685,1686,
&end
#
# 0 AMB 20-2:3319 0 AMB 20-1:3319 6.00 (# 3319:20 Double Ambig)
&rst
ixpk= 3319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1304,1305,2087,2088,
igr2=1266,1267,2170,2171,
&end
#
# 141 VAL HN 140 ARG HB- 6.00 (# 3325:20 Unique 3.56, 4.48 A)
&rst
ixpk= 3325, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2170,2171,
&end
#
# 96 VAL HA 96 VAL HB 6.00 (# 3327:20 Unique 2.99, 3.02 A)
&rst
ixpk= 3327, nxpk= 20, iat=1515,1517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 HIS HB- 40 ILE QD1 6.00 (# 3341:20 Unique 2.25, 4.47 A)
&rst
ixpk= 3341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 465, 466,
igr2= 644, 645, 646,
&end
#
# 40 ILE HN 40 ILE QD1 6.00 (# 3344:20 Unique 4.32, 5.75 A)
&rst
ixpk= 3344, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 644, 645, 646,
&end
#
# 44 ASN HB- 47 ILE QD1 6.00 (# 3347:20 Unique 2.61, 5.28 A)
&rst
ixpk= 3347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 701, 702,
igr2= 760, 761, 762,
&end
#
# 7 GLU HG+ 9 ILE QD1 5.00 (# 3350:20 Unique 2.78, 5.16 A)
&rst
ixpk= 3350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 103, 104,
igr2= 136, 137, 138,
&end
#
# 0 AMB 20-2:3351 9 ILE QD1 6.00 (# 3351:20 Single Ambig)
&rst
ixpk= 3351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 115, 116, 937, 938, 522, 523,
igr2= 136, 137, 138,
&end
#
# 47 ILE HB 47 ILE QD1 4.00 (# 3352:20 Unique 2.28, 2.90 A)
&rst
ixpk= 3352, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 760, 761, 762,
&end
#
# 25 VAL HN 45 ILE QD1 6.00 (# 3359:20 Unique 2.96, 4.85 A)
&rst
ixpk= 3359, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 724, 725, 726,
&end
#
# 26 SER HB- 45 ILE QD1 6.00 (# 3360:20 Unique 2.43, 4.94 A)
&rst
ixpk= 3360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 411, 412,
igr2= 724, 725, 726,
&end
#
# 0 AMB 20-2:3361 45 ILE QD1 6.00 (# 3361:20 Single Ambig)
&rst
ixpk= 3361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 734, 735, 737, 738,
igr2= 724, 725, 726,
&end
#
# 46 GLN HG+ 45 ILE QD1 6.00 (# 3362:20 Unique 3.12, 5.70 A)
&rst
ixpk= 3362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 737, 738,
igr2= 724, 725, 726,
&end
#
# 0 AMB 20-2:3390 47 ILE QG2 6.00 (# 3390:20 Single Ambig)
&rst
ixpk= 3390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 770, 771, 701, 702,
igr2= 753, 754, 755,
&end
#
# 44 ASN HD2- 47 ILE QG2 6.00 (# 3392:20 Unique 4.66, 7.19 A)
&rst
ixpk= 3392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 706, 707,
igr2= 753, 754, 755,
&end
#
# 56 PHE HA 9 ILE QG2 6.00 (# 3393:20 Unique 4.81, 6.12 A)
&rst
ixpk= 3393, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 129, 130, 131,
&end
#
# 0 AMB 20-2:3394 9 ILE QG2 6.00 (# 3394:20 Single Ambig)
&rst
ixpk= 3394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 162,2345,
igr2= 129, 130, 131,
&end
#
# 95 LYS HG+ 141 VAL MGY 6.00 (# 3395:20 Unique 3.74, 7.52 A)
&rst
ixpk= 3395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1498,1499,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 0 AMB 20-2:3397 141 VAL MGY 6.00 (# 3397:20 Single Ambig)
&rst
ixpk= 3397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=2170,2171,2231,2232,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 96 VAL HA 141 VAL MGY 6.00 (# 3398:20 Unique 4.52, 7.14 A)
&rst
ixpk= 3398, nxpk= 20, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 140 ARG HN 141 VAL MGY 6.00 (# 3400:20 Unique 2.35, 4.86 A)
&rst
ixpk= 3400, nxpk= 20, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 143 LEU HN 141 VAL MGY 6.00 (# 3401:20 Unique 5.29, 7.41 A)
&rst
ixpk= 3401, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2196,2197,2198,2200,2201,2202,
&end
#
# 0 AMB 20-2:3407 109 ALA MB 6.00 (# 3407:20 Single Ambig)
&rst
ixpk= 3407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1617,1732,
igr2=1710,1711,1712,
&end
#
# 0 AMB 20-2:3408 0 AMB 20-1:3408 3.00 (# 3408:20 Double Ambig)
&rst
ixpk= 3408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1708, 989, 6,
igr2=1710,1711,1712, 991, 992, 993,
&end
#
# 27 ARG HN 45 ILE QG2 6.00 (# 3419:20 Unique 3.25, 4.81 A)
&rst
ixpk= 3419, nxpk= 20, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 717, 718, 719,
&end
#
# 0 AMB 20-2:3420 149 ALA MB 6.00 (# 3420:20 Single Ambig)
&rst
ixpk= 3420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2317,2318, 880, 881,
igr2=2349,2350,2351,
&end
#
# 150 PHE HB+ 149 ALA MB 6.00 (# 3421:20 Unique 4.77, 6.61 A)
&rst
ixpk= 3421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2359,2360,
igr2=2349,2350,2351,
&end
#
# 148 LEU HN 149 ALA MB 6.00 (# 3422:20 Unique 5.51, 6.96 A)
&rst
ixpk= 3422, nxpk= 20, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2349,2350,2351,
&end
#
# 2 ALA HA 63 THR MG2 5.00 (# 3424:20 Preassigned 2.49, 5.65 A)
&rst
ixpk= 3424, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1014,1015,1016,
&end
#
# 0 AMB 20-2:3428 63 THR MG2 5.00 (# 3428:20 Single Ambig)
&rst
ixpk= 3428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1110, 21,
igr2=1014,1015,1016,
&end
#
# 0 AMB 20-2:3442 116 VAL MGX 6.00 (# 3442:20 Single Ambig)
&rst
ixpk= 3442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1498,1499,1936,1937,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 123 MET HB+ 116 VAL MGX 6.00 (# 3443:20 Unique 2.09, 5.17 A)
&rst
ixpk= 3443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1919,1920,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 117 SER HA 116 VAL MGX 6.00 (# 3444:20 Unique 3.57, 5.62 A)
&rst
ixpk= 3444, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 116 VAL HN 116 VAL MGX 6.00 (# 3445:20 Unique 2.24, 4.17 A)
&rst
ixpk= 3445, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 142 TYR HN 116 VAL MGX 6.00 (# 3446:20 Unique 5.23, 7.40 A)
&rst
ixpk= 3446, nxpk= 20, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 0 AMB 20-2:3447 116 VAL MGX 6.00 (# 3447:20 Single Ambig)
&rst
ixpk= 3447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1956,1484,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 117 SER HB+ 116 VAL MGX 6.00 (# 3448:20 Unique 5.18, 7.14 A)
&rst
ixpk= 3448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1835,1836,
igr2=1821,1822,1823,1825,1826,1827,
&end
#
# 0 AMB 20-2:3457 0 AMB 20-1:3457 4.00 (# 3457:20 Double Ambig)
&rst
ixpk= 3457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1578, 133, 134,
igr2=1631,1632, 519, 520,
&end
#
# 103 GLU HA 103 GLU HB+ 5.00 (# 3460:20 Unique 2.38, 2.76 A)
&rst
ixpk= 3460, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1631,1632,
&end
#
# 19 GLY HN 18 GLU HB+ 5.00 (# 3462:20 Unique 1.96, 3.31 A)
&rst
ixpk= 3462, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 273, 274,
&end
#
# 104 THR HN 103 GLU HB- 6.00 (# 3463:20 Preassigned 2.92, 4.07 A)
&rst
ixpk= 3463, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1631,1632,
&end
#
# 104 THR HN 103 GLU HB+ 6.00 (# 3464:20 Unique 2.92, 4.07 A)
&rst
ixpk= 3464, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1631,1632,
&end
#
# 0 AMB 20-2:3475 0 AMB 20-1:3475 5.00 (# 3475:20 Double Ambig)
&rst
ixpk= 3475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 265, 357,
igr2= 273, 274, 371, 372,
&end
#
# 25 VAL HN 24 ARG HB+ 6.00 (# 3477:20 Unique 4.34, 4.48 A)
&rst
ixpk= 3477, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 371, 372,
&end
#
# 87 GLN HN 87 GLN HB+ 6.00 (# 3478:20 Unique 2.41, 3.15 A)
&rst
ixpk= 3478, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1361,1362,
&end
#
# 19 GLY HN 18 GLU HB- 5.00 (# 3479:20 Unique 1.96, 3.31 A)
&rst
ixpk= 3479, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 273, 274,
&end
#
# 46 GLN HN 24 ARG HB+ 6.00 (# 3480:20 Unique 2.29, 3.83 A)
&rst
ixpk= 3480, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 371, 372,
&end
#
# 95 LYS HA 95 LYS HD+ 6.00 (# 3481:20 Unique 2.02, 3.76 A)
&rst
ixpk= 3481, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1501,1502,
&end
#
# 147 LYS HN 146 LYS HD- 6.00 (# 3482:20 Unique 2.01, 4.64 A)
&rst
ixpk= 3482, nxpk= 20, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2292,2293,
&end
#
# 97 TYR HD 95 LYS HD+ 6.00 (# 3487:20 Unique 2.55, 7.16 A)
&rst
ixpk= 3487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1537,1546,
igr2=1501,1502,
&end
#
# 0 AMB 20-2:3492 133 HIS HB- 6.00 (# 3492:20 Single Ambig)
&rst
ixpk= 3492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2159,2160,2087,2088,
igr2=2072,2073,
&end
#
# 130 ASN HA 133 HIS HB+ 6.00 (# 3493:20 Unique 2.34, 5.11 A)
&rst
ixpk= 3493, nxpk= 20, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2072,2073,
&end
#
# 130 ASN HA 133 HIS HB- 6.00 (# 3494:20 Unique 2.34, 5.11 A)
&rst
ixpk= 3494, nxpk= 20, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2072,2073,
&end
#
# 6 PHE HE 133 HIS HB+ 6.00 (# 3495:20 Unique 2.57, 6.99 A)
&rst
ixpk= 3495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 86, 90,
igr2=2072,2073,
&end
#
# 0 AMB 20-2:3496 133 HIS HB- 6.00 (# 3496:20 Single Ambig)
&rst
ixpk= 3496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2081, 84, 92,
igr2=2072,2073,
&end
#
# 0 AMB 20-2:3497 0 AMB 20-1:3497 6.00 (# 3497:20 Double Ambig)
&rst
ixpk= 3497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2081, 84, 92,
igr2=2072,2073,2072,2073,
&end
#
# 36 LYS HD+ 36 LYS HB+ 3.00 (# 3499:20 Unique 2.48, 3.39 A)
&rst
ixpk= 3499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 571, 572,
igr2= 565, 566,
&end
#
# 36 LYS HA 36 LYS HB+ 3.00 (# 3501:20 Unique 2.37, 2.73 A)
&rst
ixpk= 3501, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 565, 566,
&end
#
# 37 MET HN 36 LYS HB+ 6.00 (# 3505:20 Unique 4.11, 4.47 A)
&rst
ixpk= 3505, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 565, 566,
&end
#
# 24 ARG HB+ 46 GLN HB+ 3.00 (# 3507:20 Unique 2.15, 3.57 A)
&rst
ixpk= 3507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 371, 372,
igr2= 734, 735,
&end
#
# 48 TYR HN 46 GLN HB- 6.00 (# 3509:20 Unique 4.86, 5.34 A)
&rst
ixpk= 3509, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 734, 735,
&end
#
# 45 ILE HN 46 GLN HB+ 6.00 (# 3510:20 Unique 4.50, 5.44 A)
&rst
ixpk= 3510, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 734, 735,
&end
#
# 45 ILE HN 46 GLN HB- 6.00 (# 3511:20 Unique 4.50, 5.44 A)
&rst
ixpk= 3511, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 734, 735,
&end
#
# 0 AMB 20-2:3512 9 ILE HG1- 6.00 (# 3512:20 Single Ambig)
&rst
ixpk= 3512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 142, 909,
igr2= 133, 134,
&end
#
# 119 GLY HN 119 GLY HA+ 5.00 (# 3515:20 Unique 2.25, 2.53 A)
&rst
ixpk= 3515, nxpk= 20, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1865,1866,
&end
#
# 10 PHE HD 10 PHE HB- 6.00 (# 3516:20 Preassigned 2.30, 3.08 A)
&rst
ixpk= 3516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 150, 158,
igr2= 146, 147,
&end
#
# 115 TYR HD 115 TYR HB+ 5.00 (# 3519:20 Unique 2.28, 3.09 A)
&rst
ixpk= 3519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1802,1811,
igr2=1798,1799,
&end
#
# 142 TYR HE 142 TYR HB+ 6.00 (# 3520:20 Unique 4.60, 5.09 A)
&rst
ixpk= 3520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2216,2221,
igr2=2210,2211,
&end
#
# 65 TYR HD 65 TYR HB- 3.00 (# 3524:20 Unique 2.31, 3.08 A)
&rst
ixpk= 3524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1049,1058,
igr2=1045,1046,
&end
#
# 149 ALA MB 150 PHE HB+ 6.00 (# 3527:20 Unique 4.77, 6.61 A)
&rst
ixpk= 3527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2349,2350,2351,
igr2=2359,2360,
&end
#
# 10 PHE HN 9 ILE HB 6.00 (# 3529:20 Unique 3.91, 4.08 A)
&rst
ixpk= 3529, nxpk= 20, iat= 142, 127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ASP HN 13 LYS HA 5.00 (# 3530:20 Unique 3.36, 3.45 A)
&rst
ixpk= 3530, nxpk= 20, iat= 212, 192, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 ASP HN 15 ILE HB 6.00 (# 3531:20 Unique 3.93, 4.11 A)
&rst
ixpk= 3531, nxpk= 20, iat= 243, 228, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 SER HN 25 VAL HB 6.00 (# 3532:20 Unique 4.18, 4.31 A)
&rst
ixpk= 3532, nxpk= 20, iat= 407, 395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3541 41 LEU HG 5.00 (# 3541:20 Single Ambig)
&rst
ixpk= 3541, nxpk= 20, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1922,1923, 216, 217,
&end
#
# 41 LEU HA 41 LEU HG 6.00 (# 3542:20 Unique 3.95, 4.04 A)
&rst
ixpk= 3542, nxpk= 20, iat= 652, 657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ASP HN 41 LEU HG 6.00 (# 3543:20 Unique 4.84, 5.12 A)
&rst
ixpk= 3543, nxpk= 20, iat= 669, 657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 LEU HN 41 LEU HG 6.00 (# 3544:20 Unique 2.74, 2.91 A)
&rst
ixpk= 3544, nxpk= 20, iat= 650, 657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 ARG HA 111 ARG HG+ 4.00 (# 3549:20 Unique 2.18, 3.03 A)
&rst
ixpk= 3549, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1737,1738,
&end
#
# 0 AMB 20-2:3552 0 AMB 20-1:3552 6.00 (# 3552:20 Double Ambig)
&rst
ixpk= 3552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 174, 612,2282,
igr2= 200, 201, 200, 201, 940,
&end
#
# 96 VAL MGX 97 TYR HA 5.00 (# 3555:20 Unique 4.05, 6.05 A)
&rst
ixpk= 3555, nxpk= 20, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 2 ALA HN 1 MET HA 3.00 (# 3557:20 Unique 2.12, 2.30 A)
&rst
ixpk= 3557, nxpk= 20, iat= 21, 6, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 1 MET HA 1 MET HB+ 3.00 (# 3558:20 Preassigned 2.31, 2.70 A)
&rst
ixpk= 3558, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB- 3.00 (# 3559:20 Preassigned 2.31, 2.70 A)
&rst
ixpk= 3559, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:3560 0 AMB 20-1:3560 5.00 (# 3560:20 Double Ambig)
&rst
ixpk= 3560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 6,1010,
igr2= 11, 12, 11, 12,
&end
#
# 1 MET HA 1 MET HG- 5.00 (# 3561:20 Unique 2.39, 3.32 A)
&rst
ixpk= 3561, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 11, 12,
&end
#
# 6 PHE HE 8 ASP HB- 5.00 (# 3562:20 Preassigned 2.18, 4.14 A)
&rst
ixpk= 3562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 86, 90,
igr2= 115, 116,
&end
#
# 0 AMB 20-2:3563 0 AMB 20-1:3563 5.00 (# 3563:20 Double Ambig)
&rst
ixpk= 3563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 86, 90, 549, 557,
igr2= 115, 116, 115, 116,
&end
#
# 55 LYS HG+ 55 LYS HB- 3.00 (# 3564:20 Unique 2.31, 2.75 A)
&rst
ixpk= 3564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 874, 875,
igr2= 871, 872,
&end
#
# 55 LYS HB- 55 LYS HA 4.00 (# 3565:20 Unique 2.41, 2.76 A)
&rst
ixpk= 3565, nxpk= 20, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 871, 872,
&end
#
# 11 ASP HA 55 LYS HA 3.00 (# 3566:20 Unique 1.93, 2.15 A)
&rst
ixpk= 3566, nxpk= 20, iat= 164, 869, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 ILE QG2 55 LYS HB+ 5.00 (# 3567:20 Unique 2.26, 4.31 A)
&rst
ixpk= 3567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 129, 130, 131,
igr2= 871, 872,
&end
#
# 9 ILE QG2 55 LYS HB- 5.00 (# 3568:20 Unique 2.26, 4.31 A)
&rst
ixpk= 3568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 129, 130, 131,
igr2= 871, 872,
&end
#
# 55 LYS HA 55 LYS HG- 5.00 (# 3569:20 Unique 2.34, 2.83 A)
&rst
ixpk= 3569, nxpk= 20, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 874, 875,
&end
#
# 55 LYS HE+ 55 LYS HG+ 4.00 (# 3570:20 Unique 2.20, 3.24 A)
&rst
ixpk= 3570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 880, 881,
igr2= 874, 875,
&end
#
# 0 AMB 20-2:3571 0 AMB 20-1:3571 3.00 (# 3571:20 Double Ambig)
&rst
ixpk= 3571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 871, 872,2311,2312, 571, 572,
igr2= 880, 881,2317,2318,2003,2004,
&end
#
# 56 PHE HN 55 LYS HE+ 5.00 (# 3572:20 Unique 3.64, 5.32 A)
&rst
ixpk= 3572, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 880, 881,
&end
#
# 31 GLU HN 12 VAL HA 6.00 (# 3574:20 Preassigned 3.50, 3.75 A)
&rst
ixpk= 3574, nxpk= 20, iat= 489, 176, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3575 0 AMB 20-1:3575 6.00 (# 3575:20 Double Ambig)
&rst
ixpk= 3575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1529, 174,1608,
igr2=1552, 192,
&end
#
# 0 AMB 20-2:3578 0 AMB 20-1:3578 3.00 (# 3578:20 Double Ambig)
&rst
ixpk= 3578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 194, 195, 493, 494,
igr2= 197, 198, 197, 198,
&end
#
# 13 LYS HE- 13 LYS HG+ 4.00 (# 3579:20 Preassigned 2.29, 3.22 A)
&rst
ixpk= 3579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 203, 204,
igr2= 197, 198,
&end
#
# 13 LYS HE+ 13 LYS HG+ 5.00 (# 3580:20 Unique 2.29, 3.22 A)
&rst
ixpk= 3580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 203, 204,
igr2= 197, 198,
&end
#
# 31 GLU HN 13 LYS HG+ 5.00 (# 3581:20 Unique 2.61, 3.90 A)
&rst
ixpk= 3581, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 197, 198,
&end
#
# 0 AMB 20-2:3582 0 AMB 20-1:3582 4.00 (# 3582:20 Double Ambig)
&rst
ixpk= 3582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 937, 938, 496, 497,1979,1980,1798,1799,
igr2= 940, 200, 201,1737,1738,1557,1558,
&end
#
# 0 AMB 20-2:3583 0 AMB 20-1:3583 4.00 (# 3583:20 Double Ambig)
&rst
ixpk= 3583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 730,2345, 162,
igr2= 757, 758, 916, 917, 200, 201,
&end
#
# 30 CYS HA 13 LYS HE+ 6.00 (# 3584:20 Unique 4.49, 5.55 A)
&rst
ixpk= 3584, nxpk= 20, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 203, 204,
&end
#
# 56 PHE HA 56 PHE HB- 6.00 (# 3585:20 Unique 2.35, 2.83 A)
&rst
ixpk= 3585, nxpk= 20, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 893, 894,
&end
#
# 31 GLU HB+ 13 LYS HE+ 6.00 (# 3586:20 Unique 2.04, 4.50 A)
&rst
ixpk= 3586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 493, 494,
igr2= 203, 204,
&end
#
# 0 AMB 20-2:3587 0 AMB 20-1:3587 3.00 (# 3587:20 Double Ambig)
&rst
ixpk= 3587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 493, 494, 194, 195,
igr2= 203, 204, 203, 204,
&end
#
# 0 AMB 20-2:3588 13 LYS HE- 3.00 (# 3588:20 Single Ambig)
&rst
ixpk= 3588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 493, 494, 194, 195,
igr2= 203, 204,
&end
#
# 13 LYS HD+ 13 LYS HE+ 3.00 (# 3589:20 Unique 2.39, 2.77 A)
&rst
ixpk= 3589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 200, 201,
igr2= 203, 204,
&end
#
# 13 LYS HD+ 13 LYS HE- 3.00 (# 3590:20 Unique 2.39, 2.77 A)
&rst
ixpk= 3590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 200, 201,
igr2= 203, 204,
&end
#
# 13 LYS HG+ 13 LYS HE+ 3.00 (# 3591:20 Unique 2.29, 3.22 A)
&rst
ixpk= 3591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 197, 198,
igr2= 203, 204,
&end
#
# 29 HIS HB+ 14 ASP HB- 5.00 (# 3592:20 Unique 2.06, 2.68 A)
&rst
ixpk= 3592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 465, 466,
igr2= 216, 217,
&end
#
# 100 GLU HN 99 ILE HB 6.00 (# 3593:20 Unique 1.84, 2.11 A)
&rst
ixpk= 3593, nxpk= 20, iat=1593,1578, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3594 0 AMB 20-1:3594 3.00 (# 3594:20 Double Ambig)
&rst
ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1584,1585, 234, 235,
igr2=1578, 228,
&end
#
# 100 GLU HN 99 ILE QG2 4.00 (# 3595:20 Unique 3.25, 4.33 A)
&rst
ixpk= 3595, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1580,1581,1582,
&end
#
# 0 AMB 20-2:3597 0 AMB 20-1:3597 3.00 (# 3597:20 Double Ambig)
&rst
ixpk= 3597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 234, 235,1584,1585,
igr2= 230, 231, 232,1580,1581,1582,
&end
#
# 0 AMB 20-2:3599 0 AMB 20-1:3599 3.00 (# 3599:20 Double Ambig)
&rst
ixpk= 3599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1252,1240,
igr2=1254,1255,1242,1243,
&end
#
# 149 ALA HN 148 LEU HB+ 4.00 (# 3600:20 Unique 1.90, 3.07 A)
&rst
ixpk= 3600, nxpk= 20, iat=2345, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2330,2331,
&end
#
# 75 TYR HD 77 PRO HG+ 6.00 (# 3604:20 Unique 3.19, 7.83 A)
&rst
ixpk= 3604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1183,1192,
igr2=1214,1215,
&end
#
# 0 AMB 20-2:3605 0 AMB 20-1:3605 3.00 (# 3605:20 Double Ambig)
&rst
ixpk= 3605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 284,1696,
igr2= 271,1683,
&end
#
# 21 LYS HN 20 LYS HB- 4.00 (# 3607:20 Unique 2.08, 4.08 A)
&rst
ixpk= 3607, nxpk= 20, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 295, 296,
&end
#
# 35 PHE HA 36 LYS HE+ 4.00 (# 3608:20 Unique 2.82, 4.39 A)
&rst
ixpk= 3608, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 574, 575,
&end
#
# 0 AMB 20-2:3610 0 AMB 20-1:3610 6.00 (# 3610:20 Double Ambig)
&rst
ixpk= 3610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 563, 315,
igr2= 574, 575, 304, 305,
&end
#
# 20 LYS HB- 20 LYS HE+ 4.00 (# 3611:20 Unique 2.01, 3.79 A)
&rst
ixpk= 3611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 295, 296,
igr2= 304, 305,
&end
#
# 21 LYS HE- 21 LYS HA 6.00 (# 3613:20 Unique 1.92, 4.19 A)
&rst
ixpk= 3613, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 326, 327,
&end
#
# 0 AMB 20-2:3614 0 AMB 20-1:3614 6.00 (# 3614:20 Double Ambig)
&rst
ixpk= 3614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 574, 575, 339, 340, 339, 340, 304, 305,
igr2= 563, 369, 315,
&end
#
# 8 ASP HN 7 GLU HB- 6.00 (# 3615:20 Unique 4.02, 4.34 A)
&rst
ixpk= 3615, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 100, 101,
&end
#
# 0 AMB 20-2:3616 20 LYS HB- 5.00 (# 3616:20 Single Ambig)
&rst
ixpk= 3616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 291, 335,
igr2= 295, 296,
&end
#
# 136 GLU HA 136 GLU HB- 4.00 (# 3617:20 Unique 2.41, 2.71 A)
&rst
ixpk= 3617, nxpk= 20, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2116,2117,
&end
#
# 28 LEU HN 27 ARG HA 4.00 (# 3618:20 Unique 2.04, 2.20 A)
&rst
ixpk= 3618, nxpk= 20, iat= 442, 420, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 SER HN 26 SER HA 5.00 (# 3619:20 Unique 2.83, 2.91 A)
&rst
ixpk= 3619, nxpk= 20, iat= 407, 409, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 ARG HN 26 SER HA 3.00 (# 3620:20 Unique 2.53, 2.71 A)
&rst
ixpk= 3620, nxpk= 20, iat= 418, 409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 SER HB+ 26 SER HA 5.00 (# 3621:20 Unique 2.25, 2.71 A)
&rst
ixpk= 3621, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 411, 412,
&end
#
# 26 SER HB- 26 SER HA 6.00 (# 3622:20 Unique 2.25, 2.71 A)
&rst
ixpk= 3622, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 411, 412,
&end
#
# 35 PHE HN 35 PHE HB+ 6.00 (# 3623:20 Unique 2.47, 3.28 A)
&rst
ixpk= 3623, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 545, 546,
&end
#
# 35 PHE HN 35 PHE HB- 6.00 (# 3624:20 Unique 2.47, 3.28 A)
&rst
ixpk= 3624, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 545, 546,
&end
#
# 124 ARG HB+ 39 LEU HA 6.00 (# 3625:20 Unique 3.50, 4.80 A)
&rst
ixpk= 3625, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1936,1937,
&end
#
# 0 AMB 20-2:3626 0 AMB 20-1:3626 6.00 (# 3626:20 Double Ambig)
&rst
ixpk= 3626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 619,1965,1966,1967,1969,1970,1971,
igr2= 616, 617, 616, 617,
&end
#
# 39 LEU MDX 39 LEU HB- 5.00 (# 3627:20 Unique 2.27, 3.28 A)
&rst
ixpk= 3627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 621, 622, 623, 625, 626, 627,
igr2= 616, 617,
&end
#
# 39 LEU MDX 39 LEU HB+ 6.00 (# 3628:20 Unique 2.27, 3.28 A)
&rst
ixpk= 3628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 621, 622, 623, 625, 626, 627,
igr2= 616, 617,
&end
#
# 30 CYS HN 39 LEU HG 6.00 (# 3629:20 Unique 4.90, 5.23 A)
&rst
ixpk= 3629, nxpk= 20, iat= 478, 619, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3630 41 LEU HA 3.00 (# 3630:20 Single Ambig)
&rst
ixpk= 3630, nxpk= 20, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1905,1906,1907,1909,1910,1911, 637, 638, 639, 659,
660, 661, 663, 664, 665,
&end
#
# 0 AMB 20-2:3631 0 AMB 20-1:3631 6.00 (# 3631:20 Double Ambig)
&rst
ixpk= 3631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 671,1833,
igr2= 420,1898,
&end
#
# 25 VAL MGX 44 ASN HA 3.00 (# 3632:20 Unique 2.10, 3.44 A)
&rst
ixpk= 3632, nxpk= 20, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 397, 398, 399, 401, 402, 403,
&end
#
# 45 ILE HG1- 44 ASN HA 5.00 (# 3633:20 Unique 3.19, 4.05 A)
&rst
ixpk= 3633, nxpk= 20, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 721, 722,
&end
#
# 44 ASN HB- 44 ASN HA 5.00 (# 3634:20 Unique 2.29, 2.74 A)
&rst
ixpk= 3634, nxpk= 20, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 701, 702,
&end
#
# 26 SER HN 44 ASN HA 4.00 (# 3635:20 Unique 3.40, 3.55 A)
&rst
ixpk= 3635, nxpk= 20, iat= 407, 699, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 ILE QD1 44 ASN HB- 6.00 (# 3636:20 Unique 2.61, 5.28 A)
&rst
ixpk= 3636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 760, 761, 762,
igr2= 701, 702,
&end
#
# 48 TYR HN 48 TYR HB+ 6.00 (# 3637:20 Unique 2.30, 3.00 A)
&rst
ixpk= 3637, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 770, 771,
&end
#
# 0 AMB 20-2:3639 76 ASN HB- 6.00 (# 3639:20 Single Ambig)
&rst
ixpk= 3639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1224,1238,
igr2=1200,1201,
&end
#
# 93 TYR HN 93 TYR HB- 5.00 (# 3640:20 Unique 2.62, 3.19 A)
&rst
ixpk= 3640, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1467,1468,
&end
#
# 93 TYR HN 93 TYR HB+ 4.00 (# 3641:20 Unique 2.62, 3.19 A)
&rst
ixpk= 3641, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1467,1468,
&end
#
# 94 GLY HN 93 TYR HB+ 5.00 (# 3642:20 Unique 2.52, 3.74 A)
&rst
ixpk= 3642, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1467,1468,
&end
#
# 93 TYR HN 92 MET HA 4.00 (# 3643:20 Preassigned 2.11, 2.41 A)
&rst
ixpk= 3643, nxpk= 20, iat=1463,1448, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 TYR HN 92 MET HB- 6.00 (# 3644:20 Unique 2.68, 3.79 A)
&rst
ixpk= 3644, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1450,1451,
&end
#
# 93 TYR HN 92 MET HB+ 6.00 (# 3645:20 Unique 2.68, 3.79 A)
&rst
ixpk= 3645, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1450,1451,
&end
#
# 92 MET HG+ 92 MET HB- 3.00 (# 3648:20 Unique 2.28, 2.57 A)
&rst
ixpk= 3648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1453,1454,
igr2=1450,1451,
&end
#
# 137 VAL HN 136 GLU HB- 4.00 (# 3649:20 Unique 2.06, 3.54 A)
&rst
ixpk= 3649, nxpk= 20, iat=2127, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2116,2117,
&end
#
# 90 TYR HE 92 MET HG- 6.00 (# 3650:20 Unique 3.37, 7.63 A)
&rst
ixpk= 3650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1419,1424,
igr2=1453,1454,
&end
#
# 90 TYR HE 92 MET HG+ 6.00 (# 3651:20 Unique 3.37, 7.63 A)
&rst
ixpk= 3651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1419,1424,
igr2=1453,1454,
&end
#
# 96 VAL HN 95 LYS HA 3.00 (# 3653:20 Unique 2.19, 2.28 A)
&rst
ixpk= 3653, nxpk= 20, iat=1513,1493, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 LYS HB+ 95 LYS HA 4.00 (# 3655:20 Unique 2.28, 2.57 A)
&rst
ixpk= 3655, nxpk= 20, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1495,1496,
&end
#
# 95 LYS HB- 95 LYS HA 5.00 (# 3656:20 Unique 2.28, 2.57 A)
&rst
ixpk= 3656, nxpk= 20, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1495,1496,
&end
#
# 95 LYS HG+ 95 LYS HA 5.00 (# 3657:20 Unique 2.41, 3.75 A)
&rst
ixpk= 3657, nxpk= 20, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1498,1499,
&end
#
# 96 VAL HN 95 LYS HB- 5.00 (# 3658:20 Unique 2.51, 3.46 A)
&rst
ixpk= 3658, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1495,1496,
&end
#
# 95 LYS HB+ 95 LYS HG+ 3.00 (# 3659:20 Unique 2.26, 2.60 A)
&rst
ixpk= 3659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1495,1496,
igr2=1498,1499,
&end
#
# 95 LYS HE- 95 LYS HD+ 3.00 (# 3660:20 Unique 2.25, 2.68 A)
&rst
ixpk= 3660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1504,1505,
igr2=1501,1502,
&end
#
# 139 SER HN 96 VAL MGX 4.00 (# 3661:20 Unique 2.38, 5.05 A)
&rst
ixpk= 3661, nxpk= 20, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 116 VAL HA 96 VAL MGX 4.00 (# 3662:20 Preassigned 3.25, 4.83 A)
&rst
ixpk= 3662, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 0 AMB 20-2:3663 98 ARG HA 5.00 (# 3663:20 Single Ambig)
&rst
ixpk= 3663, nxpk= 20, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=2133,2134,2135,2137,2138,2139,2133,2134,2135,2137,
2138,2139,1584,1585,
&end
#
# 98 ARG HA 98 ARG HB+ 5.00 (# 3664:20 Unique 2.29, 2.60 A)
&rst
ixpk= 3664, nxpk= 20, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1554,1555,
&end
#
# 99 ILE HN 99 ILE HB 4.00 (# 3665:20 Unique 3.47, 3.57 A)
&rst
ixpk= 3665, nxpk= 20, iat=1574,1578, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 99 ILE HN 99 ILE HG1- 5.00 (# 3666:20 Unique 1.88, 2.90 A)
&rst
ixpk= 3666, nxpk= 20, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1584,1585,
&end
#
# 0 AMB 20-2:3667 15 ILE HG1- 4.00 (# 3667:20 Single Ambig)
&rst
ixpk= 3667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 226, 444,
igr2= 234, 235,
&end
#
# 0 AMB 20-2:3668 0 AMB 20-1:3668 4.00 (# 3668:20 Double Ambig)
&rst
ixpk= 3668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 226, 444,
igr2= 234, 235, 234, 235,
&end
#
# 99 ILE HN 99 ILE QG2 6.00 (# 3669:20 Unique 2.18, 3.43 A)
&rst
ixpk= 3669, nxpk= 20, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1580,1581,1582,
&end
#
# 99 ILE HA 99 ILE QG2 4.00 (# 3670:20 Unique 2.33, 3.00 A)
&rst
ixpk= 3670, nxpk= 20, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1580,1581,1582,
&end
#
# 101 GLY HN 100 GLU HB+ 6.00 (# 3671:20 Unique 3.63, 4.13 A)
&rst
ixpk= 3671, nxpk= 20, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1597,1598,
&end
#
# 103 GLU HA 103 GLU HG- 3.00 (# 3673:20 Unique 2.41, 3.24 A)
&rst
ixpk= 3673, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1634,1635,
&end
#
# 103 GLU HA 100 GLU HG- 5.00 (# 3674:20 Unique 4.54, 6.36 A)
&rst
ixpk= 3674, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1600,1601,
&end
#
# 103 GLU HN 102 ASP HA 3.00 (# 3675:20 Preassigned 2.30, 2.78 A)
&rst
ixpk= 3675, nxpk= 20, iat=1627,1617, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 102 ASP HB+ 102 ASP HA 4.00 (# 3676:20 Unique 2.30, 2.53 A)
&rst
ixpk= 3676, nxpk= 20, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1619,1620,
&end
#
# 103 GLU HN 102 ASP HB+ 5.00 (# 3677:20 Unique 1.93, 3.06 A)
&rst
ixpk= 3677, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1619,1620,
&end
#
# 0 AMB 20-2:3679 0 AMB 20-1:3679 3.00 (# 3679:20 Double Ambig)
&rst
ixpk= 3679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1077,1129,1656,
igr2=1081,1082,1619,1620,
&end
#
# 0 AMB 20-2:3680 0 AMB 20-1:3680 3.00 (# 3680:20 Double Ambig)
&rst
ixpk= 3680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 357,1240,1079,
igr2= 359, 360,1242,1243,1081,1082,
&end
#
# 103 GLU HB- 103 GLU HA 3.00 (# 3686:20 Unique 2.38, 2.76 A)
&rst
ixpk= 3686, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1631,1632,
&end
#
# 103 GLU HB+ 103 GLU HA 3.00 (# 3687:20 Unique 2.38, 2.76 A)
&rst
ixpk= 3687, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1631,1632,
&end
#
# 0 AMB 20-2:3690 0 AMB 20-1:3690 3.00 (# 3690:20 Double Ambig)
&rst
ixpk= 3690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 271,1629,
igr2= 273, 274,1631,1632,
&end
#
# 0 AMB 20-2:3691 0 AMB 20-1:3691 4.00 (# 3691:20 Double Ambig)
&rst
ixpk= 3691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1627,1608,
igr2=1634,1635,1600,1601,
&end
#
# 100 GLU HN 100 GLU HG+ 5.00 (# 3692:20 Unique 2.01, 2.87 A)
&rst
ixpk= 3692, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1600,1601,
&end
#
# 104 THR HN 0 AMB 20-1:3693 5.00 (# 3693:20 Single Ambig)
&rst
ixpk= 3693, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1600,1601,1634,1635,
&end
#
# 70 LEU HN 69 THR HB 5.00 (# 3698:20 Unique 2.66, 2.99 A)
&rst
ixpk= 3698, nxpk= 20, iat=1110,1100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 SER HN 104 THR HB 3.00 (# 3699:20 Preassigned 2.47, 3.56 A)
&rst
ixpk= 3699, nxpk= 20, iat=1656,1646, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:3701 0 AMB 20-1:3701 4.00 (# 3701:20 Double Ambig)
&rst
ixpk= 3701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1646,1100,1064, 23,
igr2=1648,1649,1650,1102,1103,1104,
&end
#
# 104 THR HA 104 THR MG2 4.00 (# 3702:20 Unique 2.18, 3.69 A)
&rst
ixpk= 3702, nxpk= 20, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1648,1649,1650,
&end
#
# 107 GLU HA 104 THR MG2 5.00 (# 3703:20 Preassigned 3.17, 5.82 A)
&rst
ixpk= 3703, nxpk= 20, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1648,1649,1650,
&end
#
# 0 AMB 20-2:3704 0 AMB 20-1:3704 5.00 (# 3704:20 Double Ambig)
&rst
ixpk= 3704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1732,1617,
igr2=1722,1723,1724,1648,1649,1650,
&end
#
# 105 SER HB+ 104 THR MG2 5.00 (# 3705:20 Unique 2.63, 6.33 A)
&rst
ixpk= 3705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1660,1661,
igr2=1648,1649,1650,
&end
#
# 107 GLU HG- 104 THR MG2 5.00 (# 3707:20 Unique 2.22, 5.96 A)
&rst
ixpk= 3707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1688,1689,
igr2=1648,1649,1650,
&end
#
# 108 ALA HN 107 GLU HB+ 4.00 (# 3713:20 Unique 1.97, 4.01 A)
&rst
ixpk= 3713, nxpk= 20, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1685,1686,
&end
#
# 0 AMB 20-2:3714 0 AMB 20-1:3714 4.00 (# 3714:20 Double Ambig)
&rst
ixpk= 3714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1175,1681,
igr2=1164,1165,1685,1686,
&end
#
# 104 THR HB 103 GLU HG- 6.00 (# 3715:20 Preassigned 3.15, 6.34 A)
&rst
ixpk= 3715, nxpk= 20, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1634,1635,
&end
#
# 0 AMB 20-2:3718 108 ALA MB 5.00 (# 3718:20 Single Ambig)
&rst
ixpk= 3718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1681,1667,
igr2=1700,1701,1702,
&end
#
# 0 AMB 20-2:3722 108 ALA MB 6.00 (# 3722:20 Single Ambig)
&rst
ixpk= 3722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1617,1732,
igr2=1700,1701,1702,
&end
#
# 0 AMB 20-2:3725 0 AMB 20-1:3725 3.00 (# 3725:20 Double Ambig)
&rst
ixpk= 3725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1656,2190,1706,
igr2=1708, 989,
&end
#
# 108 ALA HN 109 ALA HA 4.00 (# 3726:20 Unique 4.25, 5.16 A)
&rst
ixpk= 3726, nxpk= 20, iat=1696,1708, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3727 0 AMB 20-1:3727 3.00 (# 3727:20 Double Ambig)
&rst
ixpk= 3727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1710,1711,1712, 991, 992, 993,
igr2=1708, 989,
&end
#
# 108 ALA HN 109 ALA MB 5.00 (# 3728:20 Unique 4.34, 6.19 A)
&rst
ixpk= 3728, nxpk= 20, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1710,1711,1712,
&end
#
# 0 AMB 20-2:3729 109 ALA MB 6.00 (# 3729:20 Single Ambig)
&rst
ixpk= 3729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1634,1635,1688,1689,
igr2=1710,1711,1712,
&end
#
# 0 AMB 20-2:3730 96 VAL HA 4.00 (# 3730:20 Single Ambig)
&rst
ixpk= 3730, nxpk= 20, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1529,1513,
&end
#
# 0 AMB 20-2:3731 96 VAL HA 3.00 (# 3731:20 Single Ambig)
&rst
ixpk= 3731, nxpk= 20, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1821,1822,1823,1825,1826,1827,1519,1520,1521,1523,
1524,1525,
&end
#
# 0 AMB 20-2:3734 0 AMB 20-1:3734 3.00 (# 3734:20 Double Ambig)
&rst
ixpk= 3734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1737,1738,1710,1711,1712,
igr2=1734,1735,1734,1735,
&end
#
# 0 AMB 20-2:3735 0 AMB 20-1:3735 6.00 (# 3735:20 Double Ambig)
&rst
ixpk= 3735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1730,1992,
igr2=1737,1738,1737,1738,
&end
#
# 112 LEU HN 111 ARG HG+ 4.00 (# 3736:20 Preassigned 3.77, 4.76 A)
&rst
ixpk= 3736, nxpk= 20, iat=1754, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1737,1738,
&end
#
# 112 LEU HN 111 ARG HG- 4.00 (# 3737:20 Preassigned 3.77, 4.76 A)
&rst
ixpk= 3737, nxpk= 20, iat=1754, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1737,1738,
&end
#
# 0 AMB 20-2:3739 0 AMB 20-1:3739 4.00 (# 3739:20 Double Ambig)
&rst
ixpk= 3739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 489,2345,
igr2= 200, 201, 916, 917,
&end
#
# 0 AMB 20-2:3741 0 AMB 20-1:3741 3.00 (# 3741:20 Double Ambig)
&rst
ixpk= 3741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2116,2117,1979,1980,
igr2=1557,1558,1737,1738,
&end
#
# 0 AMB 20-2:3742 0 AMB 20-1:3742 3.00 (# 3742:20 Double Ambig)
&rst
ixpk= 3742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 371, 372, 565, 566, 103, 104,2116,2117,1979,1980,
igr2= 374, 375, 571, 572, 916, 917,1557,1558,1737,1738,
&end
#
# 117 SER HN 117 SER HA 5.00 (# 3743:20 Unique 2.94, 2.96 A)
&rst
ixpk= 3743, nxpk= 20, iat=1831,1833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 MET HN 123 MET HB- 6.00 (# 3744:20 Unique 2.63, 3.17 A)
&rst
ixpk= 3744, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1919,1920,
&end
#
# 123 MET HA 123 MET HB+ 5.00 (# 3745:20 Unique 2.35, 2.70 A)
&rst
ixpk= 3745, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1919,1920,
&end
#
# 123 MET HA 123 MET HB- 6.00 (# 3746:20 Unique 2.35, 2.70 A)
&rst
ixpk= 3746, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1919,1920,
&end
#
# 123 MET HG+ 123 MET HB+ 6.00 (# 3747:20 Unique 2.18, 2.70 A)
&rst
ixpk= 3747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1922,1923,
igr2=1919,1920,
&end
#
# 123 MET HG- 123 MET HA 5.00 (# 3749:20 Unique 2.40, 3.18 A)
&rst
ixpk= 3749, nxpk= 20, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1922,1923,
&end
#
# 124 ARG HN 124 ARG HB- 6.00 (# 3750:20 Unique 2.39, 2.97 A)
&rst
ixpk= 3750, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1936,1937,
&end
#
# 124 ARG HN 124 ARG HB+ 6.00 (# 3751:20 Unique 2.39, 2.97 A)
&rst
ixpk= 3751, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1936,1937,
&end
#
# 124 ARG HA 124 ARG HB+ 6.00 (# 3752:20 Unique 2.26, 2.79 A)
&rst
ixpk= 3752, nxpk= 20, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1936,1937,
&end
#
# 126 GLN HN 126 GLN HG+ 5.00 (# 3753:20 Unique 2.77, 4.43 A)
&rst
ixpk= 3753, nxpk= 20, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1982,1983,
&end
#
# 38 ASP HB- 126 GLN HG+ 6.00 (# 3754:20 Unique 2.22, 4.47 A)
&rst
ixpk= 3754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 604, 605,
igr2=1982,1983,
&end
#
# 38 ASP HB+ 126 GLN HG+ 6.00 (# 3755:20 Unique 2.22, 4.47 A)
&rst
ixpk= 3755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 604, 605,
igr2=1982,1983,
&end
#
# 126 GLN HB+ 126 GLN HG+ 3.00 (# 3756:20 Unique 2.25, 2.66 A)
&rst
ixpk= 3756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1979,1980,
igr2=1982,1983,
&end
#
# 37 MET HA 127 GLY HA- 4.00 (# 3757:20 Preassigned 2.12, 2.95 A)
&rst
ixpk= 3757, nxpk= 20, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1994,1995,
&end
#
# 123 MET HN 117 SER HA 4.00 (# 3759:20 Preassigned 3.25, 3.69 A)
&rst
ixpk= 3759, nxpk= 20, iat=1915,1833, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 117 SER HN 117 SER HB+ 3.00 (# 3760:20 Unique 2.78, 3.53 A)
&rst
ixpk= 3760, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1835,1836,
&end
#
# 0 AMB 20-2:3761 116 VAL HB 3.00 (# 3761:20 Single Ambig)
&rst
ixpk= 3761, nxpk= 20, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1821,1822,1823,1825,1826,1827,1519,1520,1521,1523,
1524,1525,
&end
#
# 116 VAL HA 116 VAL HB 6.00 (# 3762:20 Unique 2.35, 2.85 A)
&rst
ixpk= 3762, nxpk= 20, iat=1817,1819, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 VAL HN 116 VAL HB 5.00 (# 3764:20 Unique 2.70, 3.02 A)
&rst
ixpk= 3764, nxpk= 20, iat=1815,1819, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:3765 0 AMB 20-1:3765 5.00 (# 3765:20 Double Ambig)
&rst
ixpk= 3765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2166, 997,
igr2=1519,1520,1521,1523,1524,1525, 958, 959, 960, 962,
963, 964,
&end
#
# 137 VAL HN 96 VAL MGX 5.00 (# 3766:20 Preassigned 3.97, 5.72 A)
&rst
ixpk= 3766, nxpk= 20, iat=2127, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1519,1520,1521,1523,1524,1525,
&end
#
# 115 TYR HN 115 TYR HA 6.00 (# 3767:20 Unique 2.93, 2.96 A)
&rst
ixpk= 3767, nxpk= 20, iat=1794,1796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 TYR HN 115 TYR HB+ 6.00 (# 3768:20 Unique 2.59, 3.34 A)
&rst
ixpk= 3768, nxpk= 20, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1798,1799,
&end
#
# 115 TYR HA 115 TYR HB- 6.00 (# 3769:20 Unique 2.23, 2.71 A)
&rst
ixpk= 3769, nxpk= 20, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1798,1799,
&end
#
# 114 ALA HN 113 SER HA 3.00 (# 3770:20 Unique 2.12, 2.22 A)
&rst
ixpk= 3770, nxpk= 20, iat=1784,1775, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 113 SER HN 113 SER HA 6.00 (# 3772:20 Unique 2.87, 2.94 A)
&rst
ixpk= 3772, nxpk= 20, iat=1773,1775, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 113 SER HB+ 113 SER HA 5.00 (# 3773:20 Unique 2.19, 2.66 A)
&rst
ixpk= 3773, nxpk= 20, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1777,1778,
&end
#
# 45 ILE HN 45 ILE HA 4.00 (# 3775:20 Unique 2.74, 2.91 A)
&rst
ixpk= 3775, nxpk= 20, iat= 711, 713, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 GLN HN 45 ILE HA 4.00 (# 3776:20 Unique 3.23, 3.41 A)
&rst
ixpk= 3776, nxpk= 20, iat= 730, 713, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 ILE HB 45 ILE HA 5.00 (# 3777:20 Unique 3.13, 4.06 A)
&rst
ixpk= 3777, nxpk= 20, iat= 751, 713, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 ILE HN 45 ILE HB 6.00 (# 3778:20 Unique 3.38, 3.65 A)
&rst
ixpk= 3778, nxpk= 20, iat= 711, 715, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3779 45 ILE HB 6.00 (# 3779:20 Single Ambig)
&rst
ixpk= 3779, nxpk= 20, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 730, 801,
&end
#
# 0 AMB 20-2:3781 45 ILE QD1 5.00 (# 3781:20 Single Ambig)
&rst
ixpk= 3781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 380, 747,
igr2= 724, 725, 726,
&end
#
# 46 GLN HN 47 ILE HB 5.00 (# 3783:20 Unique 4.82, 5.17 A)
&rst
ixpk= 3783, nxpk= 20, iat= 730, 751, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 ASN HB+ 47 ILE HB 6.00 (# 3784:20 Unique 5.25, 7.10 A)
&rst
ixpk= 3784, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 701, 702,
&end
#
# 46 GLN HN 47 ILE HG1+ 6.00 (# 3785:20 Unique 3.37, 4.66 A)
&rst
ixpk= 3785, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 757, 758,
&end
#
# 131 ASN HB+ 128 ASP HA 4.00 (# 3787:20 Preassigned 4.42, 6.24 A)
&rst
ixpk= 3787, nxpk= 20, iat= -1,2001, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2039,2040,
&end
#
# 129 ALA HN 128 ASP HB+ 4.00 (# 3788:20 Preassigned 3.77, 4.00 A)
&rst
ixpk= 3788, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2003,2004,
&end
#
# 129 ALA HN 128 ASP HB- 4.00 (# 3789:20 Preassigned 3.77, 4.00 A)
&rst
ixpk= 3789, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2003,2004,
&end
#
# 0 AMB 20-2:3790 0 AMB 20-1:3790 3.00 (# 3790:20 Double Ambig)
&rst
ixpk= 3790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1240,2001,
igr2=1242,1243,2003,2004,
&end
#
# 128 ASP HA 128 ASP HB+ 3.00 (# 3791:20 Unique 2.42, 2.76 A)
&rst
ixpk= 3791, nxpk= 20, iat=2001, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2003,2004,
&end
#
# 0 AMB 20-2:3794 129 ALA HA 5.00 (# 3794:20 Single Ambig)
&rst
ixpk= 3794, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2001,2070,
&end
#
# 132 LEU HB- 129 ALA HA 3.00 (# 3795:20 Preassigned 2.38, 3.82 A)
&rst
ixpk= 3795, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2053,2054,
&end
#
# 131 ASN HN 130 ASN HA 3.00 (# 3796:20 Preassigned 3.45, 3.51 A)
&rst
ixpk= 3796, nxpk= 20, iat=2035,2023, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 133 HIS HN 130 ASN HA 4.00 (# 3797:20 Preassigned 3.28, 3.94 A)
&rst
ixpk= 3797, nxpk= 20, iat=2068,2023, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 130 ASN HN 130 ASN HB+ 3.00 (# 3798:20 Unique 2.23, 2.72 A)
&rst
ixpk= 3798, nxpk= 20, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2025,2026,
&end
#
# 0 AMB 20-2:3799 0 AMB 20-1:3799 3.00 (# 3799:20 Double Ambig)
&rst
ixpk= 3799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2030,2031,2035,
igr2=2025,2026,2025,2026,
&end
#
# 130 ASN HA 130 ASN HB+ 3.00 (# 3800:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3800, nxpk= 20, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2025,2026,
&end
#
# 133 HIS HB+ 130 ASN HA 6.00 (# 3801:20 Unique 2.34, 5.11 A)
&rst
ixpk= 3801, nxpk= 20, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2072,2073,
&end
#
# 131 ASN HA 0 AMB 20-1:3802 5.00 (# 3802:20 Single Ambig)
&rst
ixpk= 3802, nxpk= 20, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2025,2026,2025,2026,
&end
#
# 0 AMB 20-2:3803 131 ASN HA 3.00 (# 3803:20 Single Ambig)
&rst
ixpk= 3803, nxpk= 20, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2035,2030,2031,
&end
#
# 0 AMB 20-2:3804 131 ASN HA 4.00 (# 3804:20 Single Ambig)
&rst
ixpk= 3804, nxpk= 20, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2044,2045, 84, 92,2049,
&end
#
# 131 ASN HB+ 131 ASN HA 3.00 (# 3805:20 Unique 2.28, 2.70 A)
&rst
ixpk= 3805, nxpk= 20, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2039,2040,
&end
#
# 131 ASN HB- 131 ASN HA 5.00 (# 3806:20 Unique 2.28, 2.70 A)
&rst
ixpk= 3806, nxpk= 20, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2039,2040,
&end
#
# 0 AMB 20-2:3807 0 AMB 20-1:3807 3.00 (# 3807:20 Double Ambig)
&rst
ixpk= 3807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2035,2030,2031,
igr2=2039,2040,2039,2040,
&end
#
# 0 AMB 20-2:3814 132 LEU HB- 5.00 (# 3814:20 Single Ambig)
&rst
ixpk= 3814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2070,2001,
igr2=2053,2054,
&end
#
# 0 AMB 20-2:3815 0 AMB 20-1:3815 4.00 (# 3815:20 Double Ambig)
&rst
ixpk= 3815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2056,1963,
igr2=2053,2054,2053,2054,
&end
#
# 132 LEU HN 132 LEU HG 5.00 (# 3816:20 Preassigned 4.13, 4.51 A)
&rst
ixpk= 3816, nxpk= 20, iat=2049,2056, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 LEU MDY 0 AMB 20-1:3818 3.00 (# 3818:20 Single Ambig)
&rst
ixpk= 3818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2058,2059,2060,2062,2063,2064,
igr2=1963,2056,
&end
#
# 113 SER HA 132 LEU MDX 6.00 (# 3819:20 Unique 2.96, 6.11 A)
&rst
ixpk= 3819, nxpk= 20, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2058,2059,2060,2062,2063,2064,
&end
#
# 135 PHE HD 135 PHE HB- 5.00 (# 3821:20 Unique 2.31, 3.09 A)
&rst
ixpk= 3821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2100,2108,
igr2=2096,2097,
&end
#
# 136 GLU HN 136 GLU HA 4.00 (# 3824:20 Preassigned 2.21, 2.81 A)
&rst
ixpk= 3824, nxpk= 20, iat=2112,2114, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 138 ASP HN 136 GLU HA 3.00 (# 3825:20 Preassigned 3.82, 4.46 A)
&rst
ixpk= 3825, nxpk= 20, iat=2143,2114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 139 SER HN 136 GLU HA 4.00 (# 3826:20 Preassigned 4.53, 5.24 A)
&rst
ixpk= 3826, nxpk= 20, iat=2155,2114, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3828 0 AMB 20-1:3828 5.00 (# 3828:20 Double Ambig)
&rst
ixpk= 3828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2112,2155,
igr2=2116,2117,2116,2117,
&end
#
# 58 LEU HN 7 GLU HG- 6.00 (# 3831:20 Unique 3.83, 4.78 A)
&rst
ixpk= 3831, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 103, 104,
&end
#
# 74 GLU HA 74 GLU HG- 3.00 (# 3832:20 Unique 2.36, 2.90 A)
&rst
ixpk= 3832, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1167,1168,
&end
#
# 138 ASP HN 137 VAL HB 4.00 (# 3833:20 Unique 2.57, 4.36 A)
&rst
ixpk= 3833, nxpk= 20, iat=2143,2131, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 141 VAL HN 138 ASP HA 3.00 (# 3840:20 Preassigned 5.82, 6.50 A)
&rst
ixpk= 3840, nxpk= 20, iat=2190,2145, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:3841 138 ASP HA 4.00 (# 3841:20 Single Ambig)
&rst
ixpk= 3841, nxpk= 20, iat= -1,2145, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2131,2194,
&end
#
# 138 ASP HN 138 ASP HB- 6.00 (# 3842:20 Preassigned 2.68, 3.10 A)
&rst
ixpk= 3842, nxpk= 20, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2147,2148,
&end
#
# 138 ASP HN 138 ASP HB+ 5.00 (# 3843:20 Preassigned 2.68, 3.10 A)
&rst
ixpk= 3843, nxpk= 20, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2147,2148,
&end
#
# 0 AMB 20-2:3845 0 AMB 20-1:3845 5.00 (# 3845:20 Double Ambig)
&rst
ixpk= 3845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1129,1077,
igr2=1045,1046,1045,1046,
&end
#
# 137 VAL MGX 138 ASP HB+ 3.00 (# 3847:20 Unique 3.19, 6.28 A)
&rst
ixpk= 3847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2133,2134,2135,2137,2138,2139,
igr2=2147,2148,
&end
#
# 137 VAL MGX 138 ASP HB- 5.00 (# 3848:20 Unique 3.19, 6.28 A)
&rst
ixpk= 3848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2133,2134,2135,2137,2138,2139,
igr2=2147,2148,
&end
#
# 141 VAL HN 139 SER HA 4.00 (# 3849:20 Preassigned 4.11, 5.04 A)
&rst
ixpk= 3849, nxpk= 20, iat=2190,2157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 142 TYR HN 139 SER HB- 5.00 (# 3850:20 Unique 6.63, 8.27 A)
&rst
ixpk= 3850, nxpk= 20, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2159,2160,
&end
#
# 141 VAL HN 140 ARG HD+ 6.00 (# 3851:20 Unique 2.50, 5.81 A)
&rst
ixpk= 3851, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2176,2177,
&end
#
# 141 VAL HN 140 ARG HD- 6.00 (# 3852:20 Unique 2.50, 5.81 A)
&rst
ixpk= 3852, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2176,2177,
&end
#
# 0 AMB 20-2:3854 0 AMB 20-1:3854 3.00 (# 3854:20 Double Ambig)
&rst
ixpk= 3854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1266,1267,2170,2171,1819,
igr2=1272,1273,2176,2177,
&end
#
# 140 ARG HN 140 ARG HA 5.00 (# 3856:20 Preassigned 2.85, 2.93 A)
&rst
ixpk= 3856, nxpk= 20, iat=2166,2168, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 141 VAL HN 140 ARG HA 3.00 (# 3857:20 Preassigned 2.11, 2.35 A)
&rst
ixpk= 3857, nxpk= 20, iat=2190,2168, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 140 ARG HD+ 140 ARG HA 5.00 (# 3858:20 Unique 2.15, 4.46 A)
&rst
ixpk= 3858, nxpk= 20, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2176,2177,
&end
#
# 0 AMB 20-2:3859 140 ARG HA 4.00 (# 3859:20 Single Ambig)
&rst
ixpk= 3859, nxpk= 20, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2170,2171,2234,
&end
#
# 141 VAL HN 140 ARG HB+ 4.00 (# 3861:20 Unique 3.56, 4.48 A)
&rst
ixpk= 3861, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2170,2171,
&end
#
# 0 AMB 20-2:3863 141 VAL HB 4.00 (# 3863:20 Single Ambig)
&rst
ixpk= 3863, nxpk= 20, iat= -1,2194, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1519,1520,1521,1523,1524,1525,1821,1822,1823,1825,
1826,1827,
&end
#
# 142 TYR HA 142 TYR HB+ 4.00 (# 3864:20 Unique 2.32, 2.79 A)
&rst
ixpk= 3864, nxpk= 20, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2210,2211,
&end
#
# 143 LEU HN 142 TYR HB+ 6.00 (# 3865:20 Unique 2.49, 3.97 A)
&rst
ixpk= 3865, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2210,2211,
&end
#
# 143 LEU HN 143 LEU HB+ 5.00 (# 3866:20 Unique 2.14, 2.76 A)
&rst
ixpk= 3866, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2231,2232,
&end
#
# 143 LEU HA 143 LEU HB+ 6.00 (# 3867:20 Unique 2.29, 2.73 A)
&rst
ixpk= 3867, nxpk= 20, iat=2229, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2231,2232,
&end
#
# 144 LEU HN 143 LEU HB+ 6.00 (# 3870:20 Unique 2.41, 4.31 A)
&rst
ixpk= 3870, nxpk= 20, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2231,2232,
&end
#
# 0 AMB 20-2:3871 0 AMB 20-1:3871 6.00 (# 3871:20 Double Ambig)
&rst
ixpk= 3871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=2292,2293, 940,2231,2232,2234,
igr2=2250,2251,2250,2251,2250,2251,2250,2251,
&end
#
# 0 AMB 20-2:3872 144 LEU HB- 6.00 (# 3872:20 Single Ambig)
&rst
ixpk= 3872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=2292,2293,2289,2290, 940,2231,2232,2234,
igr2=2250,2251,
&end
#
# 125 LEU HB+ 125 LEU HN 6.00 (# 10:10 Unique 2.45, 3.33 A)
&rst
ixpk= 10, nxpk= 10, iat= -1,1956, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1960,1961,
&end
#
# 125 LEU HA 125 LEU HN 5.00 (# 16:10 Unique 2.96, 3.02 A)
&rst
ixpk= 16, nxpk= 10, iat=1958,1956, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 LEU HB- 125 LEU HN 5.00 (# 18:10 Unique 2.45, 3.33 A)
&rst
ixpk= 18, nxpk= 10, iat= -1,1956, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1960,1961,
&end
#
# 0 AMB 10-2:20 125 LEU HN 5.00 (# 20:10 Single Ambig)
&rst
ixpk= 20, nxpk= 10, iat= -1,1956, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623, 625, 626, 627,1788,1789,1790,
&end
#
# 8 ASP HN 58 LEU HN 6.00 (# 25:10 Unique 2.77, 2.89 A)
&rst
ixpk= 25, nxpk= 10, iat= 111, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:26 58 LEU HN 6.00 (# 26:10 Single Ambig)
&rst
ixpk= 26, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=2236,2237,2238,2240,2241,2242,2236,2237,2238,2240,
2241,2242, 621, 622, 623, 625, 626, 627,
&end
#
# 0 AMB 10-2:27 58 LEU HN 5.00 (# 27:10 Single Ambig)
&rst
ixpk= 27, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 909, 142,
&end
#
# 10 PHE HD 58 LEU HN 5.00 (# 30:10 Unique 2.31, 4.83 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 150, 158,
&end
#
# 57 ARG HA 58 LEU HN 4.00 (# 31:10 Unique 2.17, 2.26 A)
&rst
ixpk= 31, nxpk= 10, iat= 911, 933, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 GLU HG- 58 LEU HN 6.00 (# 32:10 Unique 3.83, 4.78 A)
&rst
ixpk= 32, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 103, 104,
&end
#
# 0 AMB 10-2:33 58 LEU HN 4.00 (# 33:10 Single Ambig)
&rst
ixpk= 33, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 940, 937, 938, 916, 917,
&end
#
# 57 ARG HB+ 58 LEU HN 5.00 (# 34:10 Unique 2.54, 3.80 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 913, 914,
&end
#
# 0 AMB 10-2:36 58 LEU HN 5.00 (# 36:10 Single Ambig)
&rst
ixpk= 36, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 958, 959, 960, 962, 963, 964, 136, 137, 138,
&end
#
# 13 LYS HB+ 13 LYS HN 5.00 (# 37:10 Unique 2.60, 3.29 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 194, 195,
&end
#
# 30 CYS HA 13 LYS HN 5.00 (# 38:10 Unique 2.05, 2.32 A)
&rst
ixpk= 38, nxpk= 10, iat= 480, 190, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 LYS HA 13 LYS HN 6.00 (# 39:10 Unique 2.94, 2.98 A)
&rst
ixpk= 39, nxpk= 10, iat= 192, 190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 VAL HA 13 LYS HN 5.00 (# 40:10 Unique 1.99, 2.11 A)
&rst
ixpk= 40, nxpk= 10, iat= 176, 190, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 VAL MGX 13 LYS HN 6.00 (# 41:10 Unique 2.69, 4.20 A)
&rst
ixpk= 41, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 10-2:43 13 LYS HN 6.00 (# 43:10 Single Ambig)
&rst
ixpk= 43, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 489, 855,
&end
#
# 13 LYS HG+ 13 LYS HN 5.00 (# 44:10 Unique 2.16, 3.15 A)
&rst
ixpk= 44, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 197, 198,
&end
#
# 12 VAL MGY 13 LYS HN 6.00 (# 45:10 Unique 2.69, 4.20 A)
&rst
ixpk= 45, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 147 LYS HG- 147 LYS HN 6.00 (# 49:10 Unique 2.03, 2.66 A)
&rst
ixpk= 49, nxpk= 10, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2311,2312,
&end
#
# 146 LYS HA 147 LYS HN 5.00 (# 50:10 Unique 2.38, 2.55 A)
&rst
ixpk= 50, nxpk= 10, iat=2284,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:51 147 LYS HN 4.00 (# 51:10 Single Ambig)
&rst
ixpk= 51, nxpk= 10, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2308,2309,2286,2287,
&end
#
# 0 AMB 10-2:52 147 LYS HN 6.00 (# 52:10 Single Ambig)
&rst
ixpk= 52, nxpk= 10, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2292,2293,2311,2312,
&end
#
# 147 LYS HG- 147 LYS HN 6.00 (# 53:10 Unique 2.03, 2.66 A)
&rst
ixpk= 53, nxpk= 10, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2311,2312,
&end
#
# 147 LYS HG- 147 LYS HN 6.00 (# 54:10 Unique 2.03, 2.66 A)
&rst
ixpk= 54, nxpk= 10, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2311,2312,
&end
#
# 146 LYS HA 147 LYS HN 5.00 (# 56:10 Unique 2.38, 2.55 A)
&rst
ixpk= 56, nxpk= 10, iat=2284,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:68 40 ILE HN 5.00 (# 68:10 Single Ambig)
&rst
ixpk= 68, nxpk= 10, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1958, 652,
&end
#
# 123 MET HA 40 ILE HN 5.00 (# 78:10 Unique 3.86, 4.08 A)
&rst
ixpk= 78, nxpk= 10, iat=1917, 631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 ARG HB+ 40 ILE HN 5.00 (# 82:10 Unique 2.38, 3.71 A)
&rst
ixpk= 82, nxpk= 10, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1936,1937,
&end
#
# 39 LEU HB- 40 ILE HN 6.00 (# 83:10 Unique 2.89, 3.87 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 616, 617,
&end
#
# 39 LEU MDX 40 ILE HN 4.00 (# 85:10 Unique 2.24, 4.18 A)
&rst
ixpk= 85, nxpk= 10, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 621, 622, 623, 625, 626, 627,
&end
#
# 41 LEU HN 28 LEU HN 5.00 (# 98:10 Unique 2.34, 2.61 A)
&rst
ixpk= 98, nxpk= 10, iat= 650, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 ILE HA 28 LEU HN 6.00 (# 99:10 Unique 3.86, 4.32 A)
&rst
ixpk= 99, nxpk= 10, iat= 633, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ARG HA 28 LEU HN 5.00 (# 100:10 Unique 2.04, 2.20 A)
&rst
ixpk= 100, nxpk= 10, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LEU HB+ 28 LEU HN 4.00 (# 102:10 Unique 2.82, 3.43 A)
&rst
ixpk= 102, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 446, 447,
&end
#
# 28 LEU HB+ 41 LEU HN 6.00 (# 103:10 Unique 3.68, 4.74 A)
&rst
ixpk= 103, nxpk= 10, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 446, 447,
&end
#
# 29 HIS HA 41 LEU HN 6.00 (# 104:10 Unique 3.48, 3.65 A)
&rst
ixpk= 104, nxpk= 10, iat= 463, 650, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 LEU HG 41 LEU HN 6.00 (# 105:10 Unique 2.74, 2.91 A)
&rst
ixpk= 105, nxpk= 10, iat= 657, 650, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 CYS HN 41 LEU HN 6.00 (# 106:10 Unique 4.82, 5.24 A)
&rst
ixpk= 106, nxpk= 10, iat= 478, 650, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 HIS HA 39 LEU HN 6.00 (# 111:10 Unique 4.56, 4.82 A)
&rst
ixpk= 111, nxpk= 10, iat= 463, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ASP HA 28 LEU HN 6.00 (# 115:10 Unique 3.01, 3.55 A)
&rst
ixpk= 115, nxpk= 10, iat= 671, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 LEU HB- 28 LEU HN 5.00 (# 116:10 Unique 2.82, 3.43 A)
&rst
ixpk= 116, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 446, 447,
&end
#
# 28 LEU MDX 28 LEU HN 4.00 (# 118:10 Unique 2.08, 4.17 A)
&rst
ixpk= 118, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 451, 452, 453, 455, 456, 457,
&end
#
# 28 LEU HN 41 LEU HN 5.00 (# 119:10 Unique 2.34, 2.61 A)
&rst
ixpk= 119, nxpk= 10, iat= 442, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:121 41 LEU HN 5.00 (# 121:10 Single Ambig)
&rst
ixpk= 121, nxpk= 10, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1917, 671,
&end
#
# 40 ILE HA 41 LEU HN 3.00 (# 122:10 Unique 2.15, 2.31 A)
&rst
ixpk= 122, nxpk= 10, iat= 633, 650, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:123 41 LEU HN 6.00 (# 123:10 Single Ambig)
&rst
ixpk= 123, nxpk= 10, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 422, 423, 425, 426,
&end
#
# 40 ILE HG1- 41 LEU HN 6.00 (# 124:10 Unique 2.27, 3.74 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 641, 642,
&end
#
# 0 AMB 10-2:125 41 LEU HN 5.00 (# 125:10 Single Ambig)
&rst
ixpk= 125, nxpk= 10, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 446, 447, 616, 617,
&end
#
# 39 LEU HB+ 41 LEU HN 6.00 (# 126:10 Unique 4.81, 6.40 A)
&rst
ixpk= 126, nxpk= 10, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 616, 617,
&end
#
# 0 AMB 10-2:128 41 LEU HN 4.00 (# 128:10 Single Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 644, 645, 646, 637, 638, 639,
&end
#
# 39 LEU HA 39 LEU HN 5.00 (# 132:10 Unique 2.94, 2.96 A)
&rst
ixpk= 132, nxpk= 10, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 LEU HB+ 39 LEU HN 6.00 (# 134:10 Unique 2.43, 2.78 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 616, 617,
&end
#
# 30 CYS HN 39 LEU HN 5.00 (# 135:10 Unique 2.59, 2.93 A)
&rst
ixpk= 135, nxpk= 10, iat= 478, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 GLU HA 39 LEU HN 5.00 (# 137:10 Unique 2.98, 3.34 A)
&rst
ixpk= 137, nxpk= 10, iat= 491, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 ASP HA 39 LEU HN 3.00 (# 138:10 Unique 2.09, 2.21 A)
&rst
ixpk= 138, nxpk= 10, iat= 602, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 CYS HB+ 39 LEU HN 6.00 (# 139:10 Unique 3.21, 4.57 A)
&rst
ixpk= 139, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 482, 483,
&end
#
# 38 ASP HB+ 39 LEU HN 6.00 (# 140:10 Unique 4.11, 4.34 A)
&rst
ixpk= 140, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 604, 605,
&end
#
# 38 ASP HB- 39 LEU HN 6.00 (# 141:10 Unique 4.11, 4.34 A)
&rst
ixpk= 141, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 604, 605,
&end
#
# 0 AMB 10-2:142 39 LEU HN 6.00 (# 142:10 Single Ambig)
&rst
ixpk= 142, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 493, 494, 194, 195,
&end
#
# 39 LEU HB- 39 LEU HN 5.00 (# 144:10 Unique 2.43, 2.78 A)
&rst
ixpk= 144, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 616, 617,
&end
#
# 0 AMB 10-2:146 39 LEU HN 6.00 (# 146:10 Single Ambig)
&rst
ixpk= 146, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 619,1965,1966,1967,1969,1970,1971,
&end
#
# 0 AMB 10-2:154 124 ARG HN 5.00 (# 154:10 Single Ambig)
&rst
ixpk= 154, nxpk= 10, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 637, 638, 639, 621, 622, 623, 625, 626, 627,
&end
#
# 123 MET HA 124 ARG HN 4.00 (# 160:10 Unique 2.15, 2.27 A)
&rst
ixpk= 160, nxpk= 10, iat=1917,1932, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:161 124 ARG HN 6.00 (# 161:10 Single Ambig)
&rst
ixpk= 161, nxpk= 10, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1936,1937,1903,
&end
#
# 96 VAL MGY 96 VAL HN 4.00 (# 168:10 Unique 1.90, 3.72 A)
&rst
ixpk= 168, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 96 VAL HB 96 VAL HN 6.00 (# 171:10 Unique 2.40, 2.70 A)
&rst
ixpk= 171, nxpk= 10, iat=1517,1513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 LYS HA 96 VAL HN 4.00 (# 174:10 Unique 2.19, 2.28 A)
&rst
ixpk= 174, nxpk= 10, iat=1493,1513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:175 96 VAL HN 6.00 (# 175:10 Single Ambig)
&rst
ixpk= 175, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2168,1817,
&end
#
# 0 AMB 10-2:176 96 VAL HN 6.00 (# 176:10 Single Ambig)
&rst
ixpk= 176, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
&end
#
# 95 LYS HG+ 96 VAL HN 6.00 (# 177:10 Unique 2.30, 4.53 A)
&rst
ixpk= 177, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1498,1499,
&end
#
# 96 VAL MGX 96 VAL HN 6.00 (# 178:10 Unique 1.90, 3.72 A)
&rst
ixpk= 178, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 7 GLU HG- 7 GLU HN 6.00 (# 181:10 Unique 4.15, 4.57 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 103, 104,
&end
#
# 59 VAL MGX 7 GLU HN 6.00 (# 183:10 Unique 3.88, 6.37 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 958, 959, 960, 962, 963, 964,
&end
#
# 6 PHE HA 7 GLU HN 3.00 (# 185:10 Unique 2.10, 2.22 A)
&rst
ixpk= 185, nxpk= 10, iat= 78, 96, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 PHE HB+ 7 GLU HN 6.00 (# 187:10 Unique 2.37, 4.10 A)
&rst
ixpk= 187, nxpk= 10, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 80, 81,
&end
#
# 8 ASP HN 7 GLU HN 6.00 (# 188:10 Unique 3.92, 4.16 A)
&rst
ixpk= 188, nxpk= 10, iat= 111, 96, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 GLU HA 7 GLU HN 5.00 (# 189:10 Unique 2.91, 2.94 A)
&rst
ixpk= 189, nxpk= 10, iat= 98, 96, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 GLU HB- 7 GLU HN 5.00 (# 190:10 Unique 2.28, 3.01 A)
&rst
ixpk= 190, nxpk= 10, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 100, 101,
&end
#
# 130 ASN HN 129 ALA HN 5.00 (# 191:10 Unique 2.86, 3.02 A)
&rst
ixpk= 191, nxpk= 10, iat=2021,2011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 ARG HA 129 ALA HN 3.00 (# 193:10 Unique 3.83, 4.51 A)
&rst
ixpk= 193, nxpk= 10, iat=1732,2011, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 128 ASP HA 129 ALA HN 3.00 (# 194:10 Unique 2.22, 2.34 A)
&rst
ixpk= 194, nxpk= 10, iat=2001,2011, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 129 ALA HA 129 ALA HN 5.00 (# 195:10 Unique 2.61, 2.75 A)
&rst
ixpk= 195, nxpk= 10, iat=2013,2011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:196 129 ALA HN 5.00 (# 196:10 Single Ambig)
&rst
ixpk= 196, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2003,2004,2025,2026,
&end
#
# 128 ASP HB- 129 ALA HN 5.00 (# 197:10 Unique 3.77, 4.00 A)
&rst
ixpk= 197, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2003,2004,
&end
#
# 111 ARG HG+ 129 ALA HN 6.00 (# 198:10 Unique 5.00, 6.72 A)
&rst
ixpk= 198, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1737,1738,
&end
#
# 129 ALA MB 129 ALA HN 3.00 (# 199:10 Unique 2.32, 2.84 A)
&rst
ixpk= 199, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2015,2016,2017,
&end
#
# 0 AMB 10-2:200 129 ALA HN 6.00 (# 200:10 Single Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
&end
#
# 112 LEU HB+ 129 ALA HN 5.00 (# 201:10 Unique 3.40, 4.83 A)
&rst
ixpk= 201, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1758,1759,
&end
#
# 136 GLU HA 136 GLU HN 5.00 (# 203:10 Unique 2.21, 2.81 A)
&rst
ixpk= 203, nxpk= 10, iat=2114,2112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 GLU HB+ 136 GLU HN 6.00 (# 204:10 Unique 2.40, 3.33 A)
&rst
ixpk= 204, nxpk= 10, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2116,2117,
&end
#
# 96 VAL MGX 136 GLU HN 5.00 (# 205:10 Unique 4.54, 7.04 A)
&rst
ixpk= 205, nxpk= 10, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 0 AMB 10-2:206 129 ALA HN 6.00 (# 206:10 Single Ambig)
&rst
ixpk= 206, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2023,1720,
&end
#
# 0 AMB 10-2:207 99 ILE HN 6.00 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1563,1550,
&end
#
# 0 AMB 10-2:208 99 ILE HN 6.00 (# 208:10 Single Ambig)
&rst
ixpk= 208, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1584,1585,1557,1558,
&end
#
# 99 ILE HA 99 ILE HN 5.00 (# 211:10 Unique 2.73, 2.89 A)
&rst
ixpk= 211, nxpk= 10, iat=1576,1574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 ARG HA 99 ILE HN 4.00 (# 212:10 Unique 1.99, 2.36 A)
&rst
ixpk= 212, nxpk= 10, iat=1552,1574, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 ARG HB+ 99 ILE HN 5.00 (# 213:10 Unique 1.88, 3.28 A)
&rst
ixpk= 213, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1554,1555,
&end
#
# 0 AMB 10-2:214 99 ILE HN 4.00 (# 214:10 Single Ambig)
&rst
ixpk= 214, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1584,1585,2133,2134,2135,2137,2138,2139,
&end
#
# 99 ILE QD1 99 ILE HN 4.00 (# 215:10 Unique 1.85, 3.28 A)
&rst
ixpk= 215, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1587,1588,1589,
&end
#
# 132 LEU MDY 114 ALA HN 6.00 (# 216:10 Unique 2.48, 5.60 A)
&rst
ixpk= 216, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 98 ARG HG+ 99 ILE HN 6.00 (# 217:10 Unique 1.99, 3.86 A)
&rst
ixpk= 217, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1557,1558,
&end
#
# 15 ILE HG1+ 16 ASP HN 6.00 (# 220:10 Unique 4.31, 4.84 A)
&rst
ixpk= 220, nxpk= 10, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 234, 235,
&end
#
# 126 GLN HB+ 114 ALA HN 6.00 (# 222:10 Unique 3.70, 5.22 A)
&rst
ixpk= 222, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1979,1980,
&end
#
# 114 ALA MB 114 ALA HN 4.00 (# 225:10 Unique 2.77, 3.46 A)
&rst
ixpk= 225, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1788,1789,1790,
&end
#
# 126 GLN HA 114 ALA HN 6.00 (# 226:10 Unique 3.29, 3.67 A)
&rst
ixpk= 226, nxpk= 10, iat=1977,1784, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:227 16 ASP HN 6.00 (# 227:10 Single Ambig)
&rst
ixpk= 227, nxpk= 10, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 224, 269,
&end
#
# 16 ASP HA 16 ASP HN 4.00 (# 228:10 Unique 2.93, 2.97 A)
&rst
ixpk= 228, nxpk= 10, iat= 245, 243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 PRO HD+ 16 ASP HN 6.00 (# 230:10 Unique 3.19, 4.15 A)
&rst
ixpk= 230, nxpk= 10, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 256, 257,
&end
#
# 16 ASP HB+ 16 ASP HN 5.00 (# 233:10 Unique 2.55, 3.02 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 247, 248,
&end
#
# 15 ILE QG2 16 ASP HN 3.00 (# 234:10 Unique 2.60, 3.40 A)
&rst
ixpk= 234, nxpk= 10, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 230, 231, 232,
&end
#
# 15 ILE HG1- 16 ASP HN 5.00 (# 235:10 Unique 4.31, 4.84 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 234, 235,
&end
#
# 99 ILE HA 100 GLU HN 3.00 (# 237:10 Unique 2.30, 2.65 A)
&rst
ixpk= 237, nxpk= 10, iat=1576,1593, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 57 ARG HN 148 LEU HN 6.00 (# 250:10 Unique 3.97, 4.43 A)
&rst
ixpk= 250, nxpk= 10, iat= 909,2326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 PHE HA 148 LEU HN 5.00 (# 251:10 Unique 2.07, 2.62 A)
&rst
ixpk= 251, nxpk= 10, iat= 891,2326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:252 148 LEU HN 3.00 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2306,2328,
&end
#
# 0 AMB 10-2:253 148 LEU HN 6.00 (# 253:10 Single Ambig)
&rst
ixpk= 253, nxpk= 10, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2317,2318, 893, 894,
&end
#
# 147 LYS HB+ 148 LEU HN 5.00 (# 254:10 Unique 2.02, 2.97 A)
&rst
ixpk= 254, nxpk= 10, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2308,2309,
&end
#
# 0 AMB 10-2:255 148 LEU HN 4.00 (# 255:10 Single Ambig)
&rst
ixpk= 255, nxpk= 10, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2330,2331,2311,2312,
&end
#
# 148 LEU MDX 148 LEU HN 4.00 (# 256:10 Unique 2.64, 4.04 A)
&rst
ixpk= 256, nxpk= 10, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2335,2336,2337,2339,2340,2341,
&end
#
# 0 AMB 10-2:258 0 AMB 10-1:258 5.00 (# 258:10 Double Ambig)
&rst
ixpk= 258, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1734,1735,2311,2312,
igr2=1730,2326,
&end
#
# 110 THR HN 111 ARG HN 5.00 (# 259:10 Unique 1.94, 2.64 A)
&rst
ixpk= 259, nxpk= 10, iat=1716,1730, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:260 111 ARG HN 4.00 (# 260:10 Single Ambig)
&rst
ixpk= 260, nxpk= 10, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1718,1708,
&end
#
# 0 AMB 10-2:261 111 ARG HN 5.00 (# 261:10 Single Ambig)
&rst
ixpk= 261, nxpk= 10, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1722,1723,1724,1648,1649,1650,
&end
#
# 0 AMB 10-2:263 126 GLN HN 5.00 (# 263:10 Single Ambig)
&rst
ixpk= 263, nxpk= 10, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1956,1784,
&end
#
# 99 ILE HA 100 GLU HN 3.00 (# 267:10 Unique 2.30, 2.65 A)
&rst
ixpk= 267, nxpk= 10, iat=1576,1593, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:271 0 AMB 10-1:271 6.00 (# 271:10 Double Ambig)
&rst
ixpk= 271, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1740,1741, 893, 894,
igr2=1730,2326,
&end
#
# 126 GLN HA 126 GLN HN 6.00 (# 275:10 Unique 2.92, 2.97 A)
&rst
ixpk= 275, nxpk= 10, iat=1977,1975, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:276 126 GLN HN 5.00 (# 276:10 Single Ambig)
&rst
ixpk= 276, nxpk= 10, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1979,1980, 590, 591,
&end
#
# 100 GLU HA 100 GLU HN 6.00 (# 279:10 Unique 2.61, 2.68 A)
&rst
ixpk= 279, nxpk= 10, iat=1595,1593, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:280 100 GLU HN 6.00 (# 280:10 Single Ambig)
&rst
ixpk= 280, nxpk= 10, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1600,1601,1600,1601,
&end
#
# 99 ILE QD1 100 GLU HN 5.00 (# 283:10 Unique 2.79, 4.13 A)
&rst
ixpk= 283, nxpk= 10, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1587,1588,1589,
&end
#
# 98 ARG HN 97 TYR HN 5.00 (# 288:10 Unique 2.05, 2.89 A)
&rst
ixpk= 288, nxpk= 10, iat=1550,1529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 LEU HA 126 GLN HN 3.00 (# 290:10 Unique 1.86, 1.98 A)
&rst
ixpk= 290, nxpk= 10, iat=1958,1975, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 ASP HB- 126 GLN HN 6.00 (# 291:10 Unique 3.12, 4.22 A)
&rst
ixpk= 291, nxpk= 10, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 604, 605,
&end
#
# 125 LEU MDX 126 GLN HN 6.00 (# 293:10 Unique 2.16, 5.08 A)
&rst
ixpk= 293, nxpk= 10, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1965,1966,1967,1969,1970,1971,
&end
#
# 0 AMB 10-2:295 97 TYR HN 6.00 (# 295:10 Single Ambig)
&rst
ixpk= 295, nxpk= 10, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1786,1934,
&end
#
# 96 VAL HA 97 TYR HN 4.00 (# 300:10 Unique 2.28, 2.36 A)
&rst
ixpk= 300, nxpk= 10, iat=1515,1529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 VAL MGX 97 TYR HN 4.00 (# 301:10 Unique 2.10, 4.19 A)
&rst
ixpk= 301, nxpk= 10, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 97 TYR HD 97 TYR HN 5.00 (# 302:10 Unique 2.26, 4.80 A)
&rst
ixpk= 302, nxpk= 10, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1537,1546,
&end
#
# 137 VAL MGX 97 TYR HN 6.00 (# 308:10 Unique 3.78, 6.78 A)
&rst
ixpk= 308, nxpk= 10, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2133,2134,2135,2137,2138,2139,
&end
#
# 9 ILE HG1- 149 ALA HN 4.00 (# 311:10 Unique 2.53, 3.46 A)
&rst
ixpk= 311, nxpk= 10, iat= -1,2345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 133, 134,
&end
#
# 150 PHE HN 149 ALA HN 5.00 (# 316:10 Unique 2.29, 3.47 A)
&rst
ixpk= 316, nxpk= 10, iat=2355,2345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 LEU HA 149 ALA HN 4.00 (# 318:10 Unique 2.15, 2.37 A)
&rst
ixpk= 318, nxpk= 10, iat=2328,2345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 149 ALA HA 149 ALA HN 3.00 (# 319:10 Unique 2.70, 2.93 A)
&rst
ixpk= 319, nxpk= 10, iat=2347,2345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 148 LEU HB+ 149 ALA HN 4.00 (# 320:10 Unique 1.90, 3.07 A)
&rst
ixpk= 320, nxpk= 10, iat= -1,2345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2330,2331,
&end
#
# 149 ALA MB 149 ALA HN 3.00 (# 321:10 Unique 2.36, 3.10 A)
&rst
ixpk= 321, nxpk= 10, iat= -1,2345, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2349,2350,2351,
&end
#
# 9 ILE QD1 149 ALA HN 4.00 (# 323:10 Unique 2.26, 4.06 A)
&rst
ixpk= 323, nxpk= 10, iat= -1,2345, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 136, 137, 138,
&end
#
# 136 GLU HA 137 VAL HN 4.00 (# 329:10 Unique 2.14, 2.82 A)
&rst
ixpk= 329, nxpk= 10, iat=2114,2127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 143 LEU HA 144 LEU HN 4.00 (# 334:10 Unique 2.11, 2.19 A)
&rst
ixpk= 334, nxpk= 10, iat=2229,2246, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:335 144 LEU HN 6.00 (# 335:10 Single Ambig)
&rst
ixpk= 335, nxpk= 10, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2231,2232,2234, 940,
&end
#
# 96 VAL MGX 137 VAL HN 5.00 (# 337:10 Unique 3.97, 5.72 A)
&rst
ixpk= 337, nxpk= 10, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 137 VAL HA 137 VAL HN 6.00 (# 339:10 Unique 2.21, 2.64 A)
&rst
ixpk= 339, nxpk= 10, iat=2129,2127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 136 GLU HG+ 137 VAL HN 6.00 (# 340:10 Unique 1.73, 4.20 A)
&rst
ixpk= 340, nxpk= 10, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2119,2120,
&end
#
# 137 VAL HB 137 VAL HN 4.00 (# 341:10 Unique 3.51, 3.68 A)
&rst
ixpk= 341, nxpk= 10, iat=2131,2127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 137 VAL MGX 137 VAL HN 3.00 (# 343:10 Unique 1.87, 3.45 A)
&rst
ixpk= 343, nxpk= 10, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2133,2134,2135,2137,2138,2139,
&end
#
# 122 LEU HB+ 122 LEU HN 5.00 (# 346:10 Unique 2.05, 2.92 A)
&rst
ixpk= 346, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1900,1901,
&end
#
# 122 LEU HG 122 LEU HN 5.00 (# 348:10 Unique 2.86, 4.06 A)
&rst
ixpk= 348, nxpk= 10, iat=1903,1896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 LEU HN 30 CYS HN 6.00 (# 367:10 Unique 2.59, 2.93 A)
&rst
ixpk= 367, nxpk= 10, iat= 612, 478, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 HIS HA 30 CYS HN 4.00 (# 369:10 Unique 2.17, 2.28 A)
&rst
ixpk= 369, nxpk= 10, iat= 463, 478, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 CYS HA 30 CYS HN 6.00 (# 370:10 Unique 2.90, 2.93 A)
&rst
ixpk= 370, nxpk= 10, iat= 480, 478, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 ILE HA 30 CYS HN 6.00 (# 371:10 Unique 2.97, 3.31 A)
&rst
ixpk= 371, nxpk= 10, iat= 633, 478, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 CYS HB+ 30 CYS HN 5.00 (# 372:10 Unique 2.67, 3.48 A)
&rst
ixpk= 372, nxpk= 10, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 482, 483,
&end
#
# 0 AMB 10-2:375 30 CYS HN 6.00 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 180, 181, 182, 184, 185, 186,1936,1937,
&end
#
# 0 AMB 10-2:376 30 CYS HN 5.00 (# 376:10 Single Ambig)
&rst
ixpk= 376, nxpk= 10, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 644, 645, 646, 621, 622, 623, 625, 626, 627,
&end
#
# 39 LEU HN 30 CYS HN 6.00 (# 377:10 Unique 2.59, 2.93 A)
&rst
ixpk= 377, nxpk= 10, iat= 612, 478, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 GLU HA 76 ASN HN 6.00 (# 381:10 Unique 3.01, 5.52 A)
&rst
ixpk= 381, nxpk= 10, iat=1162,1196, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:384 10 PHE HN 6.00 (# 384:10 Single Ambig)
&rst
ixpk= 384, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 136, 137, 138,2335,2336,2337,2339,2340,2341,
&end
#
# 75 TYR HD 76 ASN HN 5.00 (# 388:10 Unique 2.38, 4.31 A)
&rst
ixpk= 388, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1183,1192,
&end
#
# 75 TYR HA 76 ASN HN 3.00 (# 391:10 Unique 2.10, 2.34 A)
&rst
ixpk= 391, nxpk= 10, iat=1177,1196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 76 ASN HB+ 76 ASN HN 3.00 (# 392:10 Unique 2.20, 3.28 A)
&rst
ixpk= 392, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1200,1201,
&end
#
# 76 ASN HB- 76 ASN HN 4.00 (# 393:10 Unique 2.20, 3.28 A)
&rst
ixpk= 393, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1200,1201,
&end
#
# 77 PRO HD+ 76 ASN HN 6.00 (# 394:10 Unique 1.98, 4.48 A)
&rst
ixpk= 394, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1211,1212,
&end
#
# 77 PRO HD- 76 ASN HN 6.00 (# 395:10 Unique 1.98, 4.48 A)
&rst
ixpk= 395, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1211,1212,
&end
#
# 56 PHE HN 10 PHE HN 5.00 (# 399:10 Unique 2.72, 2.84 A)
&rst
ixpk= 399, nxpk= 10, iat= 889, 142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 PHE HD 10 PHE HN 5.00 (# 400:10 Unique 2.51, 4.06 A)
&rst
ixpk= 400, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 150, 158,
&end
#
# 9 ILE HA 10 PHE HN 4.00 (# 401:10 Unique 2.08, 2.29 A)
&rst
ixpk= 401, nxpk= 10, iat= 125, 142, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:403 10 PHE HN 6.00 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 127, 874, 875, 942, 943, 944, 946, 947, 948,
&end
#
# 0 AMB 10-2:404 10 PHE HN 5.00 (# 404:10 Single Ambig)
&rst
ixpk= 404, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 146, 147, 871, 872,
&end
#
# 9 ILE QG2 10 PHE HN 4.00 (# 405:10 Unique 2.16, 3.11 A)
&rst
ixpk= 405, nxpk= 10, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 129, 130, 131,
&end
#
# 142 TYR HD 143 LEU HN 6.00 (# 406:10 Unique 2.75, 5.04 A)
&rst
ixpk= 406, nxpk= 10, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2214,2223,
&end
#
# 93 TYR HD 143 LEU HN 6.00 (# 407:10 Unique 3.76, 6.03 A)
&rst
ixpk= 407, nxpk= 10, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1471,1480,
&end
#
# 143 LEU HA 143 LEU HN 6.00 (# 408:10 Unique 2.90, 2.95 A)
&rst
ixpk= 408, nxpk= 10, iat=2229,2227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 142 TYR HB+ 143 LEU HN 6.00 (# 412:10 Unique 2.49, 3.97 A)
&rst
ixpk= 412, nxpk= 10, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2210,2211,
&end
#
# 142 TYR HA 143 LEU HN 3.00 (# 415:10 Unique 2.04, 2.23 A)
&rst
ixpk= 415, nxpk= 10, iat=2208,2227, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 92 MET HB- 143 LEU HN 6.00 (# 416:10 Unique 2.55, 4.35 A)
&rst
ixpk= 416, nxpk= 10, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1450,1451,
&end
#
# 143 LEU HB+ 143 LEU HN 6.00 (# 417:10 Unique 2.14, 2.76 A)
&rst
ixpk= 417, nxpk= 10, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2231,2232,
&end
#
# 116 VAL MGY 143 LEU HN 6.00 (# 419:10 Unique 6.02, 8.06 A)
&rst
ixpk= 419, nxpk= 10, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1821,1822,1823,1825,1826,1827,
&end
#
# 141 VAL MGY 143 LEU HN 6.00 (# 420:10 Unique 5.29, 7.41 A)
&rst
ixpk= 420, nxpk= 10, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2196,2197,2198,2200,2201,2202,
&end
#
# 0 AMB 10-2:436 150 PHE HN 6.00 (# 436:10 Single Ambig)
&rst
ixpk= 436, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2328,2306,
&end
#
# 0 AMB 10-2:437 150 PHE HN 3.00 (# 437:10 Single Ambig)
&rst
ixpk= 437, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2347,2357,
&end
#
# 150 PHE HB+ 150 PHE HN 5.00 (# 438:10 Unique 2.37, 3.27 A)
&rst
ixpk= 438, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2359,2360,
&end
#
# 150 PHE HB- 150 PHE HN 4.00 (# 439:10 Unique 2.37, 3.27 A)
&rst
ixpk= 439, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2359,2360,
&end
#
# 0 AMB 10-2:440 150 PHE HN 5.00 (# 440:10 Single Ambig)
&rst
ixpk= 440, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2330,2331,2311,2312,
&end
#
# 149 ALA MB 150 PHE HN 4.00 (# 441:10 Unique 3.17, 4.39 A)
&rst
ixpk= 441, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2349,2350,2351,
&end
#
# 148 LEU MDX 150 PHE HN 6.00 (# 442:10 Unique 2.27, 5.09 A)
&rst
ixpk= 442, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2335,2336,2337,2339,2340,2341,
&end
#
# 69 THR HA 70 LEU HN 4.00 (# 450:10 Unique 1.89, 3.02 A)
&rst
ixpk= 450, nxpk= 10, iat=1098,1110, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:451 0 AMB 10-1:451 4.00 (# 451:10 Double Ambig)
&rst
ixpk= 451, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 23,1100,
igr2= 21,1110,
&end
#
# 0 AMB 10-2:452 70 LEU HN 3.00 (# 452:10 Single Ambig)
&rst
ixpk= 452, nxpk= 10, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1117,1114,1115,
&end
#
# 69 THR HG1 70 LEU HN 5.00 (# 453:10 Preassigned 1.89, 3.21 A)
&rst
ixpk= 453, nxpk= 10, iat=1106,1110, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:456 32 SER HN 6.00 (# 456:10 Single Ambig)
&rst
ixpk= 456, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 150, 158, 561,
&end
#
# 31 GLU HA 32 SER HN 3.00 (# 457:10 Unique 2.16, 2.39 A)
&rst
ixpk= 457, nxpk= 10, iat= 491, 504, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 32 SER HB+ 32 SER HN 5.00 (# 458:10 Unique 2.10, 3.21 A)
&rst
ixpk= 458, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 508, 509,
&end
#
# 31 GLU HG- 32 SER HN 6.00 (# 459:10 Unique 2.78, 3.44 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 496, 497,
&end
#
# 0 AMB 10-2:460 32 SER HN 4.00 (# 460:10 Single Ambig)
&rst
ixpk= 460, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 493, 494, 146, 147,
&end
#
# 37 MET HG- 32 SER HN 6.00 (# 461:10 Unique 1.88, 4.37 A)
&rst
ixpk= 461, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 590, 591,
&end
#
# 31 GLU HN 32 SER HN 6.00 (# 463:10 Unique 4.04, 4.28 A)
&rst
ixpk= 463, nxpk= 10, iat= 489, 504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 LEU MDY 70 LEU HN 4.00 (# 468:10 Unique 2.17, 4.48 A)
&rst
ixpk= 468, nxpk= 10, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1119,1120,1121,1123,1124,1125,
&end
#
# 116 VAL MGX 116 VAL HN 6.00 (# 469:10 Unique 2.24, 4.17 A)
&rst
ixpk= 469, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1821,1822,1823,1825,1826,1827,
&end
#
# 33 GLU HN 32 SER HN 6.00 (# 473:10 Unique 2.25, 2.83 A)
&rst
ixpk= 473, nxpk= 10, iat= 515, 504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 VAL MGX 12 VAL HN 6.00 (# 478:10 Unique 2.49, 3.98 A)
&rst
ixpk= 478, nxpk= 10, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 11 ASP HA 12 VAL HN 4.00 (# 479:10 Unique 2.07, 2.17 A)
&rst
ixpk= 479, nxpk= 10, iat= 164, 174, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:480 12 VAL HN 6.00 (# 480:10 Single Ambig)
&rst
ixpk= 480, nxpk= 10, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 166, 167, 770, 771,
&end
#
# 0 AMB 10-2:484 0 AMB 10-1:484 5.00 (# 484:10 Double Ambig)
&rst
ixpk= 484, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1915, 612,
igr2=1815, 600,
&end
#
# 115 TYR HA 116 VAL HN 5.00 (# 485:10 Unique 2.18, 2.31 A)
&rst
ixpk= 485, nxpk= 10, iat=1796,1815, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:486 0 AMB 10-1:486 5.00 (# 486:10 Double Ambig)
&rst
ixpk= 486, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 590, 591,1819,
igr2= 600,1815,
&end
#
# 0 AMB 10-2:492 12 VAL HN 6.00 (# 492:10 Single Ambig)
&rst
ixpk= 492, nxpk= 10, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 859, 860, 496, 497,
&end
#
# 12 VAL MGY 12 VAL HN 4.00 (# 493:10 Unique 2.49, 3.98 A)
&rst
ixpk= 493, nxpk= 10, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 12 VAL HA 12 VAL HN 6.00 (# 494:10 Unique 2.87, 2.90 A)
&rst
ixpk= 494, nxpk= 10, iat= 176, 174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:504 116 VAL HN 6.00 (# 504:10 Single Ambig)
&rst
ixpk= 504, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1798,1799,1919,1920,
&end
#
# 38 ASP HB+ 38 ASP HN 5.00 (# 505:10 Unique 2.60, 3.10 A)
&rst
ixpk= 505, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 604, 605,
&end
#
# 0 AMB 10-2:506 38 ASP HN 4.00 (# 506:10 Single Ambig)
&rst
ixpk= 506, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 590, 591, 587, 588,1979,1980,
&end
#
# 0 AMB 10-2:507 0 AMB 10-1:507 6.00 (# 507:10 Double Ambig)
&rst
ixpk= 507, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1903,1737,1738,1557,1558,
igr2=1815, 600,
&end
#
# 37 MET HA 38 ASP HN 3.00 (# 508:10 Unique 2.34, 2.64 A)
&rst
ixpk= 508, nxpk= 10, iat= 585, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 ASP HB- 38 ASP HN 5.00 (# 509:10 Unique 2.60, 3.10 A)
&rst
ixpk= 509, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 604, 605,
&end
#
# 139 SER HN 140 ARG HN 6.00 (# 514:10 Unique 2.18, 2.89 A)
&rst
ixpk= 514, nxpk= 10, iat=2155,2166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:515 0 AMB 10-1:515 3.00 (# 515:10 Double Ambig)
&rst
ixpk= 515, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2157,2001,
igr2=2166,1754,
&end
#
# 0 AMB 10-2:517 140 ARG HN 6.00 (# 517:10 Single Ambig)
&rst
ixpk= 517, nxpk= 10, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
&end
#
# 104 THR MG2 108 ALA HN 6.00 (# 520:10 Unique 1.70, 4.02 A)
&rst
ixpk= 520, nxpk= 10, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
&end
#
# 106 THR MG2 108 ALA HN 6.00 (# 521:10 Unique 3.94, 6.40 A)
&rst
ixpk= 521, nxpk= 10, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1673,1674,1675,
&end
#
# 0 AMB 10-2:525 0 AMB 10-1:525 4.00 (# 525:10 Double Ambig)
&rst
ixpk= 525, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2168,1756,
igr2=2166,1754,
&end
#
# 111 ARG HD+ 112 LEU HN 6.00 (# 527:10 Unique 2.49, 4.27 A)
&rst
ixpk= 527, nxpk= 10, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1740,1741,
&end
#
# 0 AMB 10-2:528 0 AMB 10-1:528 6.00 (# 528:10 Double Ambig)
&rst
ixpk= 528, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2194,1979,1980,2116,2117,
igr2=2166,1754,
&end
#
# 140 ARG HB+ 140 ARG HN 4.00 (# 529:10 Unique 2.37, 2.96 A)
&rst
ixpk= 529, nxpk= 10, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2170,2171,
&end
#
# 0 AMB 10-2:531 0 AMB 10-1:531 3.00 (# 531:10 Double Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2173,2174,1734,1735,
igr2=2166,1754,
&end
#
# 0 AMB 10-2:532 0 AMB 10-1:532 3.00 (# 532:10 Double Ambig)
&rst
ixpk= 532, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2173,2174,1758,1759,
igr2=2166,1754,
&end
#
# 0 AMB 10-2:533 108 ALA HN 3.00 (# 533:10 Single Ambig)
&rst
ixpk= 533, nxpk= 10, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1681,1667,
&end
#
# 0 AMB 10-2:535 108 ALA HN 3.00 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1698,1683,
&end
#
# 107 GLU HG- 108 ALA HN 6.00 (# 536:10 Unique 1.80, 4.00 A)
&rst
ixpk= 536, nxpk= 10, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1688,1689,
&end
#
# 107 GLU HB- 108 ALA HN 5.00 (# 537:10 Unique 1.97, 4.01 A)
&rst
ixpk= 537, nxpk= 10, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1685,1686,
&end
#
# 107 GLU HB+ 108 ALA HN 6.00 (# 538:10 Unique 1.97, 4.01 A)
&rst
ixpk= 538, nxpk= 10, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1685,1686,
&end
#
# 108 ALA MB 108 ALA HN 3.00 (# 539:10 Unique 2.40, 3.29 A)
&rst
ixpk= 539, nxpk= 10, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1700,1701,1702,
&end
#
# 146 LYS HN 57 ARG HN 5.00 (# 541:10 Unique 2.70, 2.88 A)
&rst
ixpk= 541, nxpk= 10, iat=2282, 909, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 LEU HN 57 ARG HN 6.00 (# 544:10 Unique 3.97, 4.43 A)
&rst
ixpk= 544, nxpk= 10, iat=2326, 909, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 PHE HA 57 ARG HN 4.00 (# 545:10 Unique 2.41, 2.64 A)
&rst
ixpk= 545, nxpk= 10, iat= 891, 909, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 LYS HA 57 ARG HN 6.00 (# 546:10 Unique 4.63, 4.81 A)
&rst
ixpk= 546, nxpk= 10, iat=2284, 909, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:547 57 ARG HN 6.00 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2306,2328,
&end
#
# 56 PHE HB+ 57 ARG HN 6.00 (# 548:10 Unique 2.14, 3.11 A)
&rst
ixpk= 548, nxpk= 10, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 893, 894,
&end
#
# 56 PHE HB- 57 ARG HN 5.00 (# 549:10 Unique 2.14, 3.11 A)
&rst
ixpk= 549, nxpk= 10, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 893, 894,
&end
#
# 57 ARG HB+ 57 ARG HN 5.00 (# 550:10 Unique 2.44, 3.26 A)
&rst
ixpk= 550, nxpk= 10, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 913, 914,
&end
#
# 9 ILE HG1- 57 ARG HN 5.00 (# 551:10 Preassigned 4.98, 6.03 A)
&rst
ixpk= 551, nxpk= 10, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 133, 134,
&end
#
# 0 AMB 10-2:552 57 ARG HN 6.00 (# 552:10 Single Ambig)
&rst
ixpk= 552, nxpk= 10, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 146, 147, 937, 938,2311,2312,2292,2293,
&end
#
# 0 AMB 10-2:553 57 ARG HN 6.00 (# 553:10 Single Ambig)
&rst
ixpk= 553, nxpk= 10, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=2330,2331, 942, 943, 944, 946, 947, 948, 942, 943,
944, 946, 947, 948,
&end
#
# 0 AMB 10-2:554 57 ARG HN 6.00 (# 554:10 Single Ambig)
&rst
ixpk= 554, nxpk= 10, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 136, 137, 138,2335,2336,2337,2339,2340,2341,
&end
#
# 0 AMB 10-2:555 146 LYS HN 6.00 (# 555:10 Single Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2289,2290, 916, 917,
&end
#
# 111 ARG HA 112 LEU HN 3.00 (# 558:10 Unique 2.20, 2.37 A)
&rst
ixpk= 558, nxpk= 10, iat=1732,1754, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 129 ALA HA 112 LEU HN 6.00 (# 559:10 Unique 3.36, 4.09 A)
&rst
ixpk= 559, nxpk= 10, iat=2013,1754, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:560 0 AMB 10-1:560 5.00 (# 560:10 Double Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1519,1520,1521,1523,1524,1525,1763,1764,1765,1767,
1768,1769,1763,1764,1765,1767,1768,1769,
igr2=2166,1754,
&end
#
# 132 LEU MDY 0 AMB 10-1:561 5.00 (# 561:10 Single Ambig)
&rst
ixpk= 561, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2058,2059,2060,2062,2063,2064,
igr2=2166,1754,
&end
#
# 92 MET HG+ 93 TYR HN 6.00 (# 562:10 Unique 1.87, 3.15 A)
&rst
ixpk= 562, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1453,1454,
&end
#
# 93 TYR HB- 93 TYR HN 4.00 (# 564:10 Unique 2.62, 3.19 A)
&rst
ixpk= 564, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1467,1468,
&end
#
# 0 AMB 10-2:565 93 TYR HN 4.00 (# 565:10 Single Ambig)
&rst
ixpk= 565, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1453,1454,1450,1451,
&end
#
# 94 GLY HN 93 TYR HN 6.00 (# 566:10 Unique 4.16, 4.38 A)
&rst
ixpk= 566, nxpk= 10, iat=1484,1463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 TYR HD 93 TYR HN 6.00 (# 568:10 Unique 2.42, 4.54 A)
&rst
ixpk= 568, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1471,1480,
&end
#
# 93 TYR HA 93 TYR HN 5.00 (# 569:10 Unique 2.90, 2.95 A)
&rst
ixpk= 569, nxpk= 10, iat=1465,1463, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 TYR HB+ 93 TYR HN 5.00 (# 570:10 Unique 2.62, 3.19 A)
&rst
ixpk= 570, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1467,1468,
&end
#
# 47 ILE HN 48 TYR HN 4.00 (# 573:10 Unique 2.35, 2.55 A)
&rst
ixpk= 573, nxpk= 10, iat= 747, 766, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:575 48 TYR HN 4.00 (# 575:10 Single Ambig)
&rst
ixpk= 575, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 713, 732,
&end
#
# 48 TYR HB+ 48 TYR HN 6.00 (# 577:10 Unique 2.30, 3.00 A)
&rst
ixpk= 577, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 770, 771,
&end
#
# 0 AMB 10-2:578 48 TYR HN 6.00 (# 578:10 Single Ambig)
&rst
ixpk= 578, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 715, 734, 735,
&end
#
# 47 ILE HB 48 TYR HN 5.00 (# 579:10 Unique 2.59, 2.87 A)
&rst
ixpk= 579, nxpk= 10, iat= 751, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 ILE HG1- 48 TYR HN 6.00 (# 580:10 Unique 3.42, 4.64 A)
&rst
ixpk= 580, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 757, 758,
&end
#
# 0 AMB 10-2:582 48 TYR HN 5.00 (# 582:10 Single Ambig)
&rst
ixpk= 582, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 753, 754, 755, 234, 235,
&end
#
# 56 PHE HD 57 ARG HN 6.00 (# 589:10 Unique 2.20, 4.20 A)
&rst
ixpk= 589, nxpk= 10, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 897, 905,
&end
#
# 57 ARG HN 146 LYS HN 5.00 (# 591:10 Unique 2.70, 2.88 A)
&rst
ixpk= 591, nxpk= 10, iat= 909,2282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:592 146 LYS HN 6.00 (# 592:10 Single Ambig)
&rst
ixpk= 592, nxpk= 10, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2304, 933,
&end
#
# 56 PHE HA 146 LYS HN 6.00 (# 595:10 Unique 4.67, 5.08 A)
&rst
ixpk= 595, nxpk= 10, iat= 891,2282, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:596 146 LYS HN 4.00 (# 596:10 Single Ambig)
&rst
ixpk= 596, nxpk= 10, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2286,2287, 913, 914,
&end
#
# 0 AMB 10-2:597 146 LYS HN 5.00 (# 597:10 Single Ambig)
&rst
ixpk= 597, nxpk= 10, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 937, 938,2292,2293, 146, 147,2311,2312, 956,
&end
#
# 58 LEU HB+ 146 LYS HN 6.00 (# 599:10 Unique 4.55, 5.70 A)
&rst
ixpk= 599, nxpk= 10, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 937, 938,
&end
#
# 58 LEU HA 146 LYS HN 6.00 (# 608:10 Unique 3.49, 3.86 A)
&rst
ixpk= 608, nxpk= 10, iat= 935,2282, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:615 98 ARG HN 6.00 (# 615:10 Single Ambig)
&rst
ixpk= 615, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1574,1831,
&end
#
# 97 TYR HA 98 ARG HN 6.00 (# 616:10 Unique 2.33, 2.62 A)
&rst
ixpk= 616, nxpk= 10, iat=1531,1550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:617 98 ARG HN 5.00 (# 617:10 Single Ambig)
&rst
ixpk= 617, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1519,1520,1521,1523,1524,1525,2133,2134,2135,2137,
2138,2139,2133,2134,2135,2137,2138,2139,
&end
#
# 97 TYR HN 98 ARG HN 5.00 (# 618:10 Unique 2.05, 2.89 A)
&rst
ixpk= 618, nxpk= 10, iat=1529,1550, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:620 98 ARG HN 5.00 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1552,1515,
&end
#
# 96 VAL MGX 98 ARG HN 5.00 (# 621:10 Unique 2.16, 5.04 A)
&rst
ixpk= 621, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 20 LYS HB- 21 LYS HN 6.00 (# 625:10 Unique 2.08, 4.08 A)
&rst
ixpk= 625, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 295, 296,
&end
#
# 0 AMB 10-2:626 21 LYS HN 6.00 (# 626:10 Single Ambig)
&rst
ixpk= 626, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 295, 296, 298, 299,
&end
#
# 0 AMB 10-2:627 21 LYS HN 4.00 (# 627:10 Single Ambig)
&rst
ixpk= 627, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 317, 318, 301, 302,
&end
#
# 0 AMB 10-2:628 0 AMB 10-1:628 5.00 (# 628:10 Double Ambig)
&rst
ixpk= 628, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 320, 321,1106,
igr2= 313,1175,
&end
#
# 103 GLU HA 103 GLU HN 5.00 (# 633:10 Unique 2.77, 2.90 A)
&rst
ixpk= 633, nxpk= 10, iat=1629,1627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 ALA MB 103 GLU HN 5.00 (# 634:10 Unique 1.90, 3.38 A)
&rst
ixpk= 634, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1710,1711,1712,
&end
#
# 67 ASP HN 66 GLU HN 5.00 (# 636:10 Unique 1.76, 2.51 A)
&rst
ixpk= 636, nxpk= 10, iat=1077,1062, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 TYR HD 66 GLU HN 6.00 (# 638:10 Unique 2.58, 4.08 A)
&rst
ixpk= 638, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1049,1058,
&end
#
# 65 TYR HA 66 GLU HN 4.00 (# 640:10 Unique 2.15, 2.38 A)
&rst
ixpk= 640, nxpk= 10, iat=1043,1062, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 66 GLU HA 66 GLU HN 4.00 (# 641:10 Unique 2.22, 2.85 A)
&rst
ixpk= 641, nxpk= 10, iat=1064,1062, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 TYR HB+ 66 GLU HN 5.00 (# 642:10 Unique 2.16, 3.81 A)
&rst
ixpk= 642, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1045,1046,
&end
#
# 65 TYR HB- 66 GLU HN 6.00 (# 643:10 Unique 2.16, 3.81 A)
&rst
ixpk= 643, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1045,1046,
&end
#
# 66 GLU HG- 66 GLU HN 4.00 (# 644:10 Unique 1.79, 3.15 A)
&rst
ixpk= 644, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1069,1070,
&end
#
# 66 GLU HB- 66 GLU HN 4.00 (# 646:10 Unique 2.18, 3.37 A)
&rst
ixpk= 646, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1066,1067,
&end
#
# 45 ILE HN 26 SER HN 6.00 (# 647:10 Unique 2.80, 3.59 A)
&rst
ixpk= 647, nxpk= 10, iat= 711, 407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 SER HB+ 26 SER HN 6.00 (# 648:10 Unique 2.52, 3.50 A)
&rst
ixpk= 648, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 411, 412,
&end
#
# 27 ARG HN 26 SER HN 5.00 (# 649:10 Unique 4.06, 4.18 A)
&rst
ixpk= 649, nxpk= 10, iat= 418, 407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 VAL HA 26 SER HN 3.00 (# 650:10 Unique 2.05, 2.12 A)
&rst
ixpk= 650, nxpk= 10, iat= 393, 407, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 SER HB- 26 SER HN 6.00 (# 651:10 Unique 2.52, 3.50 A)
&rst
ixpk= 651, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 411, 412,
&end
#
# 45 ILE QG2 26 SER HN 6.00 (# 653:10 Unique 1.69, 2.89 A)
&rst
ixpk= 653, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 717, 718, 719,
&end
#
# 25 VAL MGX 26 SER HN 4.00 (# 654:10 Unique 2.86, 4.56 A)
&rst
ixpk= 654, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 397, 398, 399, 401, 402, 403,
&end
#
# 26 SER HN 45 ILE HN 6.00 (# 655:10 Unique 2.80, 3.59 A)
&rst
ixpk= 655, nxpk= 10, iat= 407, 711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 THR HN 103 GLU HN 4.00 (# 658:10 Unique 2.04, 2.78 A)
&rst
ixpk= 658, nxpk= 10, iat=1642,1627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 GLU HB- 103 GLU HN 6.00 (# 662:10 Unique 2.14, 2.96 A)
&rst
ixpk= 662, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1631,1632,
&end
#
# 102 ASP HB+ 103 GLU HN 5.00 (# 665:10 Unique 1.93, 3.06 A)
&rst
ixpk= 665, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1619,1620,
&end
#
# 103 GLU HB+ 103 GLU HN 6.00 (# 666:10 Unique 2.14, 2.96 A)
&rst
ixpk= 666, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1631,1632,
&end
#
# 44 ASN HB- 45 ILE HN 6.00 (# 672:10 Unique 2.90, 4.15 A)
&rst
ixpk= 672, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 701, 702,
&end
#
# 46 GLN HN 45 ILE HN 4.00 (# 673:10 Unique 2.09, 2.46 A)
&rst
ixpk= 673, nxpk= 10, iat= 730, 711, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:676 45 ILE HN 5.00 (# 676:10 Single Ambig)
&rst
ixpk= 676, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 713, 369,
&end
#
# 0 AMB 10-2:677 45 ILE HN 5.00 (# 677:10 Single Ambig)
&rst
ixpk= 677, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 715, 734, 735,
&end
#
# 45 ILE QG2 45 ILE HN 4.00 (# 679:10 Unique 2.04, 3.31 A)
&rst
ixpk= 679, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 717, 718, 719,
&end
#
# 0 AMB 10-2:680 45 ILE HN 4.00 (# 680:10 Single Ambig)
&rst
ixpk= 680, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 724, 725, 726, 397, 398, 399, 401, 402, 403,
&end
#
# 0 AMB 10-2:682 45 ILE HN 6.00 (# 682:10 Single Ambig)
&rst
ixpk= 682, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 451, 452, 453, 455, 456, 457, 449,
&end
#
# 102 ASP HN 103 GLU HN 5.00 (# 685:10 Unique 2.89, 4.19 A)
&rst
ixpk= 685, nxpk= 10, iat=1615,1627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 THR MG2 79 ASP HN 5.00 (# 691:10 Unique 4.08, 5.22 A)
&rst
ixpk= 691, nxpk= 10, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1230,1231,1232,
&end
#
# 75 TYR HD 75 TYR HN 5.00 (# 702:10 Unique 2.43, 4.70 A)
&rst
ixpk= 702, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1183,1192,
&end
#
# 75 TYR HA 75 TYR HN 4.00 (# 703:10 Unique 2.20, 2.82 A)
&rst
ixpk= 703, nxpk= 10, iat=1177,1175, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 GLU HA 75 TYR HN 4.00 (# 704:10 Unique 2.11, 2.92 A)
&rst
ixpk= 704, nxpk= 10, iat=1162,1175, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 GLU HG- 75 TYR HN 6.00 (# 707:10 Unique 2.24, 4.50 A)
&rst
ixpk= 707, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1167,1168,
&end
#
# 74 GLU HB+ 75 TYR HN 5.00 (# 708:10 Unique 2.21, 3.88 A)
&rst
ixpk= 708, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1164,1165,
&end
#
# 76 ASN HD2+ 79 ASP HN 6.00 (# 710:10 Unique 3.80, 6.04 A)
&rst
ixpk= 710, nxpk= 10, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1205,1206,
&end
#
# 0 AMB 10-2:711 79 ASP HN 4.00 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1226,1228,
&end
#
# 103 GLU HN 109 ALA HN 4.00 (# 714:10 Unique 3.44, 4.02 A)
&rst
ixpk= 714, nxpk= 10, iat=1627,1706, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 ALA HA 109 ALA HN 3.00 (# 717:10 Unique 2.08, 2.57 A)
&rst
ixpk= 717, nxpk= 10, iat=1698,1706, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:718 109 ALA HN 3.00 (# 718:10 Single Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1700,1701,1702,1710,1711,1712,
&end
#
# 0 AMB 10-2:723 81 ARG HN 3.00 (# 723:10 Single Ambig)
&rst
ixpk= 723, nxpk= 10, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1252,1264,
&end
#
# 80 ASP HN 81 ARG HN 3.00 (# 724:10 Unique 1.78, 2.78 A)
&rst
ixpk= 724, nxpk= 10, iat=1250,1262, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:735 81 ARG HN 6.00 (# 735:10 Single Ambig)
&rst
ixpk= 735, nxpk= 10, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1214,1215,1361,1362,1293,1294,
&end
#
# 81 ARG HB- 81 ARG HN 4.00 (# 736:10 Unique 2.02, 3.24 A)
&rst
ixpk= 736, nxpk= 10, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1266,1267,
&end
#
# 81 ARG HG+ 81 ARG HN 3.00 (# 737:10 Unique 1.69, 2.92 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1269,1270,
&end
#
# 0 AMB 10-2:739 81 ARG HN 6.00 (# 739:10 Single Ambig)
&rst
ixpk= 739, nxpk= 10, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1272,1273,1272,1273,
&end
#
# 131 ASN HD2+ 128 ASP HN 6.00 (# 742:10 Unique 1.98, 3.10 A)
&rst
ixpk= 742, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2044,2045,
&end
#
# 127 GLY HA+ 128 ASP HN 4.00 (# 744:10 Unique 2.32, 2.58 A)
&rst
ixpk= 744, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1994,1995,
&end
#
# 128 ASP HA 128 ASP HN 4.00 (# 745:10 Unique 2.82, 2.88 A)
&rst
ixpk= 745, nxpk= 10, iat=2001,1999, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 127 GLY HA- 128 ASP HN 4.00 (# 746:10 Unique 2.32, 2.58 A)
&rst
ixpk= 746, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1994,1995,
&end
#
# 0 AMB 10-2:747 128 ASP HN 3.00 (# 747:10 Single Ambig)
&rst
ixpk= 747, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2003,2004, 545, 546,
&end
#
# 128 ASP HB- 128 ASP HN 3.00 (# 748:10 Unique 2.31, 2.52 A)
&rst
ixpk= 748, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2003,2004,
&end
#
# 131 ASN HB- 128 ASP HN 6.00 (# 749:10 Unique 2.36, 4.45 A)
&rst
ixpk= 749, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2039,2040,
&end
#
# 0 AMB 10-2:750 128 ASP HN 5.00 (# 750:10 Single Ambig)
&rst
ixpk= 750, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 571, 572,1737,1738,
&end
#
# 111 ARG HG- 128 ASP HN 6.00 (# 751:10 Unique 3.59, 5.49 A)
&rst
ixpk= 751, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1737,1738,
&end
#
# 107 GLU HB+ 107 GLU HN 4.00 (# 752:10 Unique 2.47, 3.50 A)
&rst
ixpk= 752, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1685,1686,
&end
#
# 0 AMB 10-2:753 115 TYR HN 6.00 (# 753:10 Single Ambig)
&rst
ixpk= 753, nxpk= 10, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1784,1956,
&end
#
# 114 ALA HA 115 TYR HN 4.00 (# 755:10 Unique 2.44, 2.57 A)
&rst
ixpk= 755, nxpk= 10, iat=1786,1794, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 VAL MGX 115 TYR HN 5.00 (# 756:10 Unique 2.58, 5.72 A)
&rst
ixpk= 756, nxpk= 10, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 0 AMB 10-2:759 107 GLU HN 3.00 (# 759:10 Single Ambig)
&rst
ixpk= 759, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1683,1671,
&end
#
# 107 GLU HG- 107 GLU HN 4.00 (# 760:10 Unique 2.10, 2.93 A)
&rst
ixpk= 760, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1688,1689,
&end
#
# 0 AMB 10-2:761 107 GLU HN 5.00 (# 761:10 Single Ambig)
&rst
ixpk= 761, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1685,1686,1631,1632,
&end
#
# 106 THR MG2 107 GLU HN 6.00 (# 762:10 Unique 2.63, 4.80 A)
&rst
ixpk= 762, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1673,1674,1675,
&end
#
# 35 PHE HD 9 ILE HN 6.00 (# 768:10 Unique 4.10, 7.04 A)
&rst
ixpk= 768, nxpk= 10, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 549, 557,
&end
#
# 9 ILE HA 9 ILE HN 5.00 (# 769:10 Unique 2.93, 2.97 A)
&rst
ixpk= 769, nxpk= 10, iat= 125, 123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 ASP HA 9 ILE HN 3.00 (# 770:10 Unique 2.16, 2.40 A)
&rst
ixpk= 770, nxpk= 10, iat= 113, 123, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:771 9 ILE HN 6.00 (# 771:10 Single Ambig)
&rst
ixpk= 771, nxpk= 10, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 534, 535, 115, 116,
&end
#
# 8 ASP HB+ 9 ILE HN 5.00 (# 772:10 Unique 2.48, 3.79 A)
&rst
ixpk= 772, nxpk= 10, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 115, 116,
&end
#
# 9 ILE HG1- 9 ILE HN 5.00 (# 773:10 Unique 4.07, 4.25 A)
&rst
ixpk= 773, nxpk= 10, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 133, 134,
&end
#
# 9 ILE HB 9 ILE HN 4.00 (# 774:10 Unique 2.13, 2.31 A)
&rst
ixpk= 774, nxpk= 10, iat= 127, 123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ILE HG1+ 9 ILE HN 6.00 (# 775:10 Unique 4.07, 4.25 A)
&rst
ixpk= 775, nxpk= 10, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 133, 134,
&end
#
# 9 ILE QD1 9 ILE HN 5.00 (# 776:10 Unique 2.69, 3.54 A)
&rst
ixpk= 776, nxpk= 10, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 9 ILE HN 5.00 (# 777:10 Unique 3.93, 4.45 A)
&rst
ixpk= 777, nxpk= 10, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 129, 130, 131,
&end
#
# 0 AMB 10-2:778 9 ILE HN 6.00 (# 778:10 Single Ambig)
&rst
ixpk= 778, nxpk= 10, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 519, 520, 103, 104, 146, 147,
&end
#
# 97 TYR HN 115 TYR HN 4.00 (# 779:10 Unique 3.38, 3.94 A)
&rst
ixpk= 779, nxpk= 10, iat=1529,1794, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 115 TYR HD 115 TYR HN 5.00 (# 781:10 Unique 2.54, 3.98 A)
&rst
ixpk= 781, nxpk= 10, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1802,1811,
&end
#
# 115 TYR HE 115 TYR HN 6.00 (# 782:10 Unique 4.27, 5.68 A)
&rst
ixpk= 782, nxpk= 10, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1804,1809,
&end
#
# 115 TYR HB- 115 TYR HN 6.00 (# 783:10 Unique 2.59, 3.34 A)
&rst
ixpk= 783, nxpk= 10, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1798,1799,
&end
#
# 0 AMB 10-2:784 115 TYR HN 6.00 (# 784:10 Single Ambig)
&rst
ixpk= 784, nxpk= 10, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1519,1520,1521,1523,1524,1525,1584,1585,
&end
#
# 68 GLY HA+ 72 ASP HN 4.00 (# 785:10 Unique 2.04, 4.35 A)
&rst
ixpk= 785, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1091,1092,
&end
#
# 20 LYS HA 20 LYS HN 4.00 (# 791:10 Unique 2.67, 2.86 A)
&rst
ixpk= 791, nxpk= 10, iat= 293, 291, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 GLY HA+ 20 LYS HN 4.00 (# 792:10 Unique 2.25, 3.15 A)
&rst
ixpk= 792, nxpk= 10, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 286, 287,
&end
#
# 19 GLY HA- 20 LYS HN 4.00 (# 793:10 Unique 2.25, 3.15 A)
&rst
ixpk= 793, nxpk= 10, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 286, 287,
&end
#
# 20 LYS HB+ 20 LYS HN 3.00 (# 794:10 Unique 2.02, 2.60 A)
&rst
ixpk= 794, nxpk= 10, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 295, 296,
&end
#
# 20 LYS HD- 20 LYS HN 5.00 (# 795:10 Unique 1.89, 4.69 A)
&rst
ixpk= 795, nxpk= 10, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 301, 302,
&end
#
# 73 GLY HA+ 72 ASP HN 5.00 (# 817:10 Unique 3.46, 4.79 A)
&rst
ixpk= 817, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1155,1156,
&end
#
# 70 LEU MDY 72 ASP HN 6.00 (# 819:10 Unique 1.78, 5.31 A)
&rst
ixpk= 819, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1119,1120,1121,1123,1124,1125,
&end
#
# 0 AMB 10-2:820 0 AMB 10-1:820 3.00 (# 820:10 Double Ambig)
&rst
ixpk= 820, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1131,1143,
igr2=1141,1129,
&end
#
# 0 AMB 10-2:821 0 AMB 10-1:821 3.00 (# 821:10 Double Ambig)
&rst
ixpk= 821, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1145,1146,1133,1134,1081,1082,1133,1134,
igr2=1141,1129,
&end
#
# 14 ASP HN 29 HIS HN 6.00 (# 827:10 Unique 2.59, 2.77 A)
&rst
ixpk= 827, nxpk= 10, iat= 212, 461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 HIS HA 29 HIS HN 6.00 (# 828:10 Unique 2.95, 2.98 A)
&rst
ixpk= 828, nxpk= 10, iat= 463, 461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:831 29 HIS HN 5.00 (# 831:10 Single Ambig)
&rst
ixpk= 831, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 451, 452, 453, 455, 456, 457, 449,
&end
#
# 28 LEU HN 29 HIS HN 6.00 (# 832:10 Unique 4.10, 4.30 A)
&rst
ixpk= 832, nxpk= 10, iat= 442, 461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 HIS HB+ 29 HIS HN 6.00 (# 833:10 Unique 2.44, 2.95 A)
&rst
ixpk= 833, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 465, 466,
&end
#
# 69 THR MG2 0 AMB 10-1:837 6.00 (# 837:10 Single Ambig)
&rst
ixpk= 837, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1102,1103,1104,
igr2=1129,1141,
&end
#
# 28 LEU HB- 29 HIS HN 5.00 (# 851:10 Unique 2.46, 3.48 A)
&rst
ixpk= 851, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 446, 447,
&end
#
# 28 LEU HB+ 29 HIS HN 6.00 (# 852:10 Unique 2.46, 3.48 A)
&rst
ixpk= 852, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 446, 447,
&end
#
# 70 LEU HA 71 ASP HN 4.00 (# 871:10 Unique 2.37, 3.02 A)
&rst
ixpk= 871, nxpk= 10, iat=1112,1129, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:872 71 ASP HN 3.00 (# 872:10 Single Ambig)
&rst
ixpk= 872, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1133,1134,1081,1082,
&end
#
# 0 AMB 10-2:873 71 ASP HN 4.00 (# 873:10 Single Ambig)
&rst
ixpk= 873, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1114,1115,1117,
&end
#
# 70 LEU MDY 71 ASP HN 5.00 (# 875:10 Unique 3.29, 5.85 A)
&rst
ixpk= 875, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1119,1120,1121,1123,1124,1125,
&end
#
# 139 SER HN 138 ASP HN 6.00 (# 879:10 Unique 1.73, 1.96 A)
&rst
ixpk= 879, nxpk= 10, iat=2155,2143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 138 ASP HA 138 ASP HN 5.00 (# 880:10 Unique 2.20, 2.91 A)
&rst
ixpk= 880, nxpk= 10, iat=2145,2143, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 VAL HA 138 ASP HN 4.00 (# 881:10 Unique 2.38, 2.83 A)
&rst
ixpk= 881, nxpk= 10, iat=2129,2143, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 137 VAL MGX 138 ASP HN 5.00 (# 882:10 Unique 3.61, 5.12 A)
&rst
ixpk= 882, nxpk= 10, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2133,2134,2135,2137,2138,2139,
&end
#
# 96 VAL MGX 138 ASP HN 5.00 (# 883:10 Unique 2.52, 4.78 A)
&rst
ixpk= 883, nxpk= 10, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 71 ASP HB- 71 ASP HN 4.00 (# 886:10 Unique 2.36, 3.12 A)
&rst
ixpk= 886, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1133,1134,
&end
#
# 23 ASP HA 23 ASP HN 4.00 (# 895:10 Unique 2.15, 2.52 A)
&rst
ixpk= 895, nxpk= 10, iat= 357, 355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 PHE HB- 23 ASP HN 6.00 (# 896:10 Unique 2.56, 4.00 A)
&rst
ixpk= 896, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 339, 340,
&end
#
# 22 PHE HB+ 23 ASP HN 6.00 (# 897:10 Unique 2.56, 4.00 A)
&rst
ixpk= 897, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 339, 340,
&end
#
# 23 ASP HB+ 23 ASP HN 3.00 (# 898:10 Unique 2.21, 2.96 A)
&rst
ixpk= 898, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 359, 360,
&end
#
# 101 GLY HN 102 ASP HN 5.00 (# 899:10 Unique 1.81, 2.16 A)
&rst
ixpk= 899, nxpk= 10, iat=1608,1615, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 VAL MGX 23 ASP HN 6.00 (# 907:10 Unique 4.65, 6.99 A)
&rst
ixpk= 907, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 397, 398, 399, 401, 402, 403,
&end
#
# 0 AMB 10-2:909 102 ASP HN 6.00 (# 909:10 Single Ambig)
&rst
ixpk= 909, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1756,1576,
&end
#
# 101 GLY HA+ 102 ASP HN 4.00 (# 911:10 Preassigned 2.16, 3.27 A)
&rst
ixpk= 911, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1610,1611,
&end
#
# 99 ILE HG1- 102 ASP HN 4.00 (# 912:10 Preassigned 2.63, 4.99 A)
&rst
ixpk= 912, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1584,1585,
&end
#
# 99 ILE QD1 102 ASP HN 5.00 (# 913:10 Unique 2.22, 3.36 A)
&rst
ixpk= 913, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1587,1588,1589,
&end
#
# 45 ILE QD1 46 GLN HN 5.00 (# 925:10 Unique 2.33, 3.89 A)
&rst
ixpk= 925, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 724, 725, 726,
&end
#
# 14 ASP HA 15 ILE HN 3.00 (# 943:10 Unique 2.24, 2.38 A)
&rst
ixpk= 943, nxpk= 10, iat= 214, 224, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 ASP HB+ 15 ILE HN 5.00 (# 945:10 Unique 2.70, 3.50 A)
&rst
ixpk= 945, nxpk= 10, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 216, 217,
&end
#
# 14 ASP HB- 15 ILE HN 5.00 (# 946:10 Unique 2.70, 3.50 A)
&rst
ixpk= 946, nxpk= 10, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 216, 217,
&end
#
# 15 ILE HB 15 ILE HN 4.00 (# 947:10 Unique 2.69, 2.85 A)
&rst
ixpk= 947, nxpk= 10, iat= 228, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:948 15 ILE HN 5.00 (# 948:10 Single Ambig)
&rst
ixpk= 948, nxpk= 10, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 234, 235, 446, 447,
&end
#
# 15 ILE QG2 15 ILE HN 4.00 (# 949:10 Unique 4.30, 4.77 A)
&rst
ixpk= 949, nxpk= 10, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 230, 231, 232,
&end
#
# 44 ASN HA 46 GLN HN 6.00 (# 954:10 Unique 3.50, 3.76 A)
&rst
ixpk= 954, nxpk= 10, iat= 699, 730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 ILE HN 46 GLN HN 4.00 (# 957:10 Preassigned 2.46, 2.67 A)
&rst
ixpk= 957, nxpk= 10, iat= 747, 730, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:958 80 ASP HN 5.00 (# 958:10 Single Ambig)
&rst
ixpk= 958, nxpk= 10, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1228,1220,
&end
#
# 0 AMB 10-2:959 46 GLN HN 3.00 (# 959:10 Single Ambig)
&rst
ixpk= 959, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 732, 713, 369,
&end
#
# 46 GLN HG+ 46 GLN HN 5.00 (# 960:10 Unique 1.80, 2.40 A)
&rst
ixpk= 960, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 737, 738,
&end
#
# 0 AMB 10-2:961 0 AMB 10-1:961 4.00 (# 961:10 Double Ambig)
&rst
ixpk= 961, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 737, 738,1364,1365, 734, 735,
igr2= 730,1250,
&end
#
# 46 GLN HB+ 46 GLN HN 4.00 (# 962:10 Unique 2.72, 3.28 A)
&rst
ixpk= 962, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 734, 735,
&end
#
# 0 AMB 10-2:963 0 AMB 10-1:963 6.00 (# 963:10 Double Ambig)
&rst
ixpk= 963, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 757, 758,1230,1231,1232,
igr2= 730,1250,
&end
#
# 73 GLY HN 74 GLU HN 3.00 (# 968:10 Unique 1.73, 2.43 A)
&rst
ixpk= 968, nxpk= 10, iat=1153,1160, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 ASP HA 74 GLU HN 6.00 (# 972:10 Unique 3.44, 4.51 A)
&rst
ixpk= 972, nxpk= 10, iat=1143,1160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 GLU HA 74 GLU HN 3.00 (# 973:10 Unique 2.26, 2.90 A)
&rst
ixpk= 973, nxpk= 10, iat=1162,1160, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 GLY HA+ 74 GLU HN 3.00 (# 974:10 Unique 2.32, 3.28 A)
&rst
ixpk= 974, nxpk= 10, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1155,1156,
&end
#
# 72 ASP HB+ 74 GLU HN 6.00 (# 975:10 Unique 3.01, 4.94 A)
&rst
ixpk= 975, nxpk= 10, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1145,1146,
&end
#
# 74 GLU HG- 74 GLU HN 4.00 (# 976:10 Unique 3.05, 4.31 A)
&rst
ixpk= 976, nxpk= 10, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1167,1168,
&end
#
# 0 AMB 10-2:981 123 MET HN 6.00 (# 981:10 Single Ambig)
&rst
ixpk= 981, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1903,1900,1901,
&end
#
# 0 AMB 10-2:984 80 ASP HN 3.00 (# 984:10 Single Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1262,1238,
&end
#
# 79 ASP HA 80 ASP HN 4.00 (# 985:10 Unique 2.44, 3.40 A)
&rst
ixpk= 985, nxpk= 10, iat=1240,1250, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:986 80 ASP HN 3.00 (# 986:10 Single Ambig)
&rst
ixpk= 986, nxpk= 10, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1254,1255,1242,1243,
&end
#
# 0 AMB 10-2:987 46 GLN HN 6.00 (# 987:10 Single Ambig)
&rst
ixpk= 987, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 717, 718, 719, 753, 754, 755,
&end
#
# 13 LYS HD+ 31 GLU HN 6.00 (# 994:10 Unique 2.43, 3.41 A)
&rst
ixpk= 994, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 200, 201,
&end
#
# 13 LYS HG+ 31 GLU HN 6.00 (# 995:10 Unique 2.61, 3.90 A)
&rst
ixpk= 995, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 197, 198,
&end
#
# 30 CYS HA 31 GLU HN 5.00 (# 1001:10 Unique 2.20, 2.38 A)
&rst
ixpk= 1001, nxpk= 10, iat= 480, 489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1005 123 MET HN 6.00 (# 1005:10 Single Ambig)
&rst
ixpk= 1005, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1922,1923,1798,1799,
&end
#
# 116 VAL HN 123 MET HN 5.00 (# 1006:10 Unique 2.77, 2.93 A)
&rst
ixpk= 1006, nxpk= 10, iat=1815,1915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1007 123 MET HN 5.00 (# 1007:10 Single Ambig)
&rst
ixpk= 1007, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1917,1833,
&end
#
# 122 LEU HA 123 MET HN 3.00 (# 1008:10 Unique 2.22, 2.36 A)
&rst
ixpk= 1008, nxpk= 10, iat=1898,1915, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 123 MET HB+ 123 MET HN 5.00 (# 1009:10 Unique 2.63, 3.17 A)
&rst
ixpk= 1009, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1919,1920,
&end
#
# 122 LEU HB+ 123 MET HN 5.00 (# 1010:10 Unique 2.06, 3.81 A)
&rst
ixpk= 1010, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1900,1901,
&end
#
# 122 LEU HB- 123 MET HN 6.00 (# 1011:10 Unique 2.06, 3.81 A)
&rst
ixpk= 1011, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1900,1901,
&end
#
# 122 LEU MDX 123 MET HN 5.00 (# 1017:10 Unique 1.88, 4.01 A)
&rst
ixpk= 1017, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1905,1906,1907,1909,1910,1911,
&end
#
# 132 LEU MDX 133 HIS HN 6.00 (# 1028:10 Unique 3.74, 5.65 A)
&rst
ixpk= 1028, nxpk= 10, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 132 LEU HA 133 HIS HN 4.00 (# 1029:10 Unique 2.50, 3.35 A)
&rst
ixpk= 1029, nxpk= 10, iat=2051,2068, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 132 LEU HB- 133 HIS HN 6.00 (# 1032:10 Unique 2.39, 3.66 A)
&rst
ixpk= 1032, nxpk= 10, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2053,2054,
&end
#
# 130 ASN HD2- 133 HIS HN 5.00 (# 1035:10 Unique 4.96, 6.36 A)
&rst
ixpk= 1035, nxpk= 10, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2030,2031,
&end
#
# 140 ARG HD+ 133 HIS HN 6.00 (# 1038:10 Unique 4.66, 8.08 A)
&rst
ixpk= 1038, nxpk= 10, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2176,2177,
&end
#
# 0 AMB 10-2:1039 133 HIS HN 6.00 (# 1039:10 Single Ambig)
&rst
ixpk= 1039, nxpk= 10, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2025,2026, 545, 546,
&end
#
# 132 LEU MDY 133 HIS HN 6.00 (# 1041:10 Unique 3.74, 5.65 A)
&rst
ixpk= 1041, nxpk= 10, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 34 SER HN 33 GLU HN 6.00 (# 1044:10 Unique 2.39, 3.16 A)
&rst
ixpk= 1044, nxpk= 10, iat= 530, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ILE HN 33 GLU HN 6.00 (# 1045:10 Unique 4.47, 6.00 A)
&rst
ixpk= 1045, nxpk= 10, iat= 123, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1046 33 GLU HN 6.00 (# 1046:10 Single Ambig)
&rst
ixpk= 1046, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 504, 541,
&end
#
# 33 GLU HA 33 GLU HN 5.00 (# 1049:10 Unique 2.27, 2.43 A)
&rst
ixpk= 1049, nxpk= 10, iat= 517, 515, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 SER HB- 33 GLU HN 6.00 (# 1050:10 Unique 2.39, 3.57 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 508, 509,
&end
#
# 31 GLU HG- 33 GLU HN 5.00 (# 1051:10 Unique 2.38, 3.56 A)
&rst
ixpk= 1051, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 496, 497,
&end
#
# 0 AMB 10-2:1052 33 GLU HN 5.00 (# 1052:10 Single Ambig)
&rst
ixpk= 1052, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 522, 523, 115, 116,
&end
#
# 33 GLU HB- 33 GLU HN 5.00 (# 1053:10 Unique 2.22, 3.31 A)
&rst
ixpk= 1053, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 519, 520,
&end
#
# 10 PHE HA 33 GLU HN 6.00 (# 1054:10 Unique 2.83, 4.48 A)
&rst
ixpk= 1054, nxpk= 10, iat= 144, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 GLU HB+ 33 GLU HN 5.00 (# 1055:10 Unique 2.22, 3.31 A)
&rst
ixpk= 1055, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 519, 520,
&end
#
# 0 AMB 10-2:1056 33 GLU HN 6.00 (# 1056:10 Single Ambig)
&rst
ixpk= 1056, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 590, 591, 493, 494,
&end
#
# 134 GLY HN 133 HIS HN 5.00 (# 1057:10 Unique 2.65, 3.43 A)
&rst
ixpk= 1057, nxpk= 10, iat=2085,2068, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 LEU HN 133 HIS HN 4.00 (# 1060:10 Unique 1.79, 2.57 A)
&rst
ixpk= 1060, nxpk= 10, iat=2049,2068, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 129 ALA HA 133 HIS HN 6.00 (# 1061:10 Unique 3.67, 5.07 A)
&rst
ixpk= 1061, nxpk= 10, iat=2013,2068, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 133 HIS HA 133 HIS HN 4.00 (# 1063:10 Unique 2.13, 2.55 A)
&rst
ixpk= 1063, nxpk= 10, iat=2070,2068, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 130 ASN HA 133 HIS HN 5.00 (# 1064:10 Unique 3.28, 3.94 A)
&rst
ixpk= 1064, nxpk= 10, iat=2023,2068, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 HIS HB- 133 HIS HN 3.00 (# 1065:10 Unique 2.09, 3.10 A)
&rst
ixpk= 1065, nxpk= 10, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2072,2073,
&end
#
# 58 LEU HN 8 ASP HN 5.00 (# 1069:10 Unique 2.77, 2.89 A)
&rst
ixpk= 1069, nxpk= 10, iat= 933, 111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 PHE HE 8 ASP HN 6.00 (# 1070:10 Unique 3.57, 6.01 A)
&rst
ixpk= 1070, nxpk= 10, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 86, 90,
&end
#
# 6 PHE HD 8 ASP HN 5.00 (# 1071:10 Unique 3.44, 5.77 A)
&rst
ixpk= 1071, nxpk= 10, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 84, 92,
&end
#
# 7 GLU HA 8 ASP HN 3.00 (# 1073:10 Unique 2.19, 2.29 A)
&rst
ixpk= 1073, nxpk= 10, iat= 98, 111, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1074 8 ASP HN 5.00 (# 1074:10 Single Ambig)
&rst
ixpk= 1074, nxpk= 10, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 954, 911, 125,
&end
#
# 8 ASP HB- 8 ASP HN 6.00 (# 1075:10 Unique 2.36, 3.12 A)
&rst
ixpk= 1075, nxpk= 10, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 115, 116,
&end
#
# 7 GLU HB- 8 ASP HN 5.00 (# 1076:10 Unique 4.02, 4.34 A)
&rst
ixpk= 1076, nxpk= 10, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 100, 101,
&end
#
# 59 VAL MGY 8 ASP HN 6.00 (# 1077:10 Unique 4.01, 5.63 A)
&rst
ixpk= 1077, nxpk= 10, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 958, 959, 960, 962, 963, 964,
&end
#
# 0 AMB 10-2:1078 8 ASP HN 5.00 (# 1078:10 Single Ambig)
&rst
ixpk= 1078, nxpk= 10, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 136, 137, 138, 958, 959, 960, 962, 963, 964,
&end
#
# 0 AMB 10-2:1079 8 ASP HN 5.00 (# 1079:10 Single Ambig)
&rst
ixpk= 1079, nxpk= 10, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 916, 917, 940,
&end
#
# 8 ASP HA 8 ASP HN 5.00 (# 1081:10 Unique 2.91, 2.95 A)
&rst
ixpk= 1081, nxpk= 10, iat= 113, 111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 HIS HA 135 PHE HN 5.00 (# 1082:10 Unique 3.14, 4.01 A)
&rst
ixpk= 1082, nxpk= 10, iat=2070,2092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 135 PHE HB+ 135 PHE HN 4.00 (# 1084:10 Unique 2.18, 3.16 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2096,2097,
&end
#
# 134 GLY HN 135 PHE HN 5.00 (# 1086:10 Unique 2.28, 3.13 A)
&rst
ixpk= 1086, nxpk= 10, iat=2085,2092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 GLY HA+ 135 PHE HN 4.00 (# 1089:10 Unique 1.99, 3.03 A)
&rst
ixpk= 1089, nxpk= 10, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2087,2088,
&end
#
# 67 ASP HA 67 ASP HN 4.00 (# 1093:10 Unique 2.24, 2.86 A)
&rst
ixpk= 1093, nxpk= 10, iat=1079,1077, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 66 GLU HA 67 ASP HN 4.00 (# 1094:10 Unique 2.56, 3.49 A)
&rst
ixpk= 1094, nxpk= 10, iat=1064,1077, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1095 67 ASP HN 4.00 (# 1095:10 Single Ambig)
&rst
ixpk= 1095, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1081,1082,1045,1046,
&end
#
# 0 AMB 10-2:1096 67 ASP HN 5.00 (# 1096:10 Single Ambig)
&rst
ixpk= 1096, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1081,1082,1133,1134,
&end
#
# 66 GLU HB- 67 ASP HN 6.00 (# 1097:10 Unique 1.84, 3.56 A)
&rst
ixpk= 1097, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1066,1067,
&end
#
# 66 GLU HG- 67 ASP HN 6.00 (# 1099:10 Unique 1.81, 3.66 A)
&rst
ixpk= 1099, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1069,1070,
&end
#
# 66 GLU HB+ 67 ASP HN 5.00 (# 1100:10 Unique 1.84, 3.56 A)
&rst
ixpk= 1100, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1066,1067,
&end
#
# 19 GLY HN 18 GLU HN 4.00 (# 1103:10 Unique 1.89, 2.84 A)
&rst
ixpk= 1103, nxpk= 10, iat= 284, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 PRO HA 18 GLU HN 4.00 (# 1104:10 Unique 2.17, 2.64 A)
&rst
ixpk= 1104, nxpk= 10, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 GLU HA 18 GLU HN 4.00 (# 1105:10 Unique 2.22, 2.83 A)
&rst
ixpk= 1105, nxpk= 10, iat= 271, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 GLY HA- 18 GLU HN 6.00 (# 1106:10 Unique 3.84, 4.99 A)
&rst
ixpk= 1106, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 286, 287,
&end
#
# 17 PRO HD+ 18 GLU HN 6.00 (# 1107:10 Unique 1.92, 4.81 A)
&rst
ixpk= 1107, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 256, 257,
&end
#
# 0 AMB 10-2:1108 18 GLU HN 3.00 (# 1108:10 Single Ambig)
&rst
ixpk= 1108, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 276, 277, 262, 263,
&end
#
# 18 GLU HB+ 18 GLU HN 4.00 (# 1109:10 Unique 2.11, 3.18 A)
&rst
ixpk= 1109, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 273, 274,
&end
#
# 18 GLU HB- 18 GLU HN 3.00 (# 1110:10 Unique 2.11, 3.18 A)
&rst
ixpk= 1110, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 273, 274,
&end
#
# 66 GLU HN 67 ASP HN 5.00 (# 1112:10 Unique 1.76, 2.51 A)
&rst
ixpk= 1112, nxpk= 10, iat=1062,1077, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LEU MDX 27 ARG HN 5.00 (# 1113:10 Unique 2.96, 5.37 A)
&rst
ixpk= 1113, nxpk= 10, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 451, 452, 453, 455, 456, 457,
&end
#
# 42 ASP HA 27 ARG HN 5.00 (# 1115:10 Unique 4.41, 4.51 A)
&rst
ixpk= 1115, nxpk= 10, iat= 671, 418, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 GLY HN 95 LYS HN 6.00 (# 1116:10 Unique 4.13, 4.26 A)
&rst
ixpk= 1116, nxpk= 10, iat=1484,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 SER HN 95 LYS HN 6.00 (# 1117:10 Unique 2.81, 3.23 A)
&rst
ixpk= 1117, nxpk= 10, iat=1831,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 TYR HA 117 SER HN 5.00 (# 1118:10 Unique 4.40, 4.67 A)
&rst
ixpk= 1118, nxpk= 10, iat=1844,1831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 LYS HA 95 LYS HN 6.00 (# 1119:10 Unique 2.90, 2.95 A)
&rst
ixpk= 1119, nxpk= 10, iat=1493,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 TYR HA 95 LYS HN 6.00 (# 1120:10 Unique 2.82, 3.37 A)
&rst
ixpk= 1120, nxpk= 10, iat=1844,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 VAL MGX 95 LYS HN 5.00 (# 1121:10 Unique 2.70, 5.45 A)
&rst
ixpk= 1121, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1821,1822,1823,1825,1826,1827,
&end
#
# 94 GLY HA+ 95 LYS HN 4.00 (# 1122:10 Unique 2.21, 2.64 A)
&rst
ixpk= 1122, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1486,1487,
&end
#
# 94 GLY HA- 95 LYS HN 4.00 (# 1123:10 Unique 2.21, 2.64 A)
&rst
ixpk= 1123, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1486,1487,
&end
#
# 95 LYS HB+ 95 LYS HN 5.00 (# 1124:10 Unique 2.66, 3.48 A)
&rst
ixpk= 1124, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1495,1496,
&end
#
# 95 LYS HN 117 SER HN 6.00 (# 1126:10 Unique 2.81, 3.23 A)
&rst
ixpk= 1126, nxpk= 10, iat=1491,1831, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 VAL MGY 117 SER HN 6.00 (# 1127:10 Unique 2.39, 4.16 A)
&rst
ixpk= 1127, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1821,1822,1823,1825,1826,1827,
&end
#
# 116 VAL MGX 117 SER HN 5.00 (# 1128:10 Unique 2.39, 4.16 A)
&rst
ixpk= 1128, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1821,1822,1823,1825,1826,1827,
&end
#
# 96 VAL HA 117 SER HN 6.00 (# 1129:10 Unique 3.17, 3.48 A)
&rst
ixpk= 1129, nxpk= 10, iat=1515,1831, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 TYR HD 117 SER HN 6.00 (# 1131:10 Unique 2.24, 5.70 A)
&rst
ixpk= 1131, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1537,1546,
&end
#
# 117 SER HB+ 117 SER HN 6.00 (# 1132:10 Unique 2.78, 3.53 A)
&rst
ixpk= 1132, nxpk= 10, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1835,1836,
&end
#
# 142 TYR HD 142 TYR HN 5.00 (# 1135:10 Unique 2.74, 4.29 A)
&rst
ixpk= 1135, nxpk= 10, iat= -1,2206, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2214,2223,
&end
#
# 142 TYR HA 142 TYR HN 6.00 (# 1136:10 Unique 2.89, 2.97 A)
&rst
ixpk= 1136, nxpk= 10, iat=2208,2206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1137 142 TYR HN 4.00 (# 1137:10 Single Ambig)
&rst
ixpk= 1137, nxpk= 10, iat= -1,2206, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2192,2229,
&end
#
# 142 TYR HB+ 142 TYR HN 5.00 (# 1138:10 Unique 2.26, 3.09 A)
&rst
ixpk= 1138, nxpk= 10, iat= -1,2206, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2210,2211,
&end
#
# 0 AMB 10-2:1139 142 TYR HN 5.00 (# 1139:10 Single Ambig)
&rst
ixpk= 1139, nxpk= 10, iat= -1,2206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2194, 8, 9,
&end
#
# 0 AMB 10-2:1142 142 TYR HN 4.00 (# 1142:10 Single Ambig)
&rst
ixpk= 1142, nxpk= 10, iat= -1,2206, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
&end
#
# 130 ASN HA 132 LEU HN 6.00 (# 1146:10 Unique 3.56, 4.23 A)
&rst
ixpk= 1146, nxpk= 10, iat=2023,2049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 GLY HN 132 LEU HN 6.00 (# 1147:10 Unique 4.51, 5.31 A)
&rst
ixpk= 1147, nxpk= 10, iat=2085,2049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 ASN HA 132 LEU HN 5.00 (# 1149:10 Unique 3.35, 3.51 A)
&rst
ixpk= 1149, nxpk= 10, iat=2037,2049, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1150 132 LEU HN 5.00 (# 1150:10 Single Ambig)
&rst
ixpk= 1150, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2051,1994,1995,
&end
#
# 129 ALA HA 132 LEU HN 6.00 (# 1151:10 Unique 3.04, 3.66 A)
&rst
ixpk= 1151, nxpk= 10, iat=2013,2049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1152 132 LEU HN 6.00 (# 1152:10 Single Ambig)
&rst
ixpk= 1152, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2072,2073,2072,2073,
&end
#
# 131 ASN HB+ 132 LEU HN 6.00 (# 1153:10 Unique 2.34, 3.65 A)
&rst
ixpk= 1153, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2039,2040,
&end
#
# 132 LEU HB+ 132 LEU HN 5.00 (# 1154:10 Unique 2.14, 2.59 A)
&rst
ixpk= 1154, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2053,2054,
&end
#
# 132 LEU HB- 132 LEU HN 4.00 (# 1155:10 Unique 2.14, 2.59 A)
&rst
ixpk= 1155, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2053,2054,
&end
#
# 0 AMB 10-2:1156 132 LEU HN 6.00 (# 1156:10 Single Ambig)
&rst
ixpk= 1156, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
&end
#
# 132 LEU MDY 132 LEU HN 6.00 (# 1157:10 Unique 4.33, 5.22 A)
&rst
ixpk= 1157, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 132 LEU MDX 132 LEU HN 6.00 (# 1158:10 Unique 4.33, 5.22 A)
&rst
ixpk= 1158, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 0 AMB 10-2:1160 22 PHE HN 6.00 (# 1160:10 Single Ambig)
&rst
ixpk= 1160, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 345, 349, 391,
&end
#
# 23 ASP HN 22 PHE HN 5.00 (# 1161:10 Unique 2.54, 3.31 A)
&rst
ixpk= 1161, nxpk= 10, iat= 355, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 PHE HD 22 PHE HN 5.00 (# 1163:10 Unique 2.03, 3.67 A)
&rst
ixpk= 1163, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 343, 351,
&end
#
# 21 LYS HA 22 PHE HN 4.00 (# 1165:10 Unique 3.47, 3.58 A)
&rst
ixpk= 1165, nxpk= 10, iat= 315, 335, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 PHE HB- 22 PHE HN 5.00 (# 1166:10 Unique 2.28, 3.02 A)
&rst
ixpk= 1166, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 339, 340,
&end
#
# 25 VAL HB 22 PHE HN 6.00 (# 1167:10 Unique 3.62, 4.49 A)
&rst
ixpk= 1167, nxpk= 10, iat= 395, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1168 22 PHE HN 4.00 (# 1168:10 Single Ambig)
&rst
ixpk= 1168, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 317, 318, 301, 302,
&end
#
# 21 LYS HG- 22 PHE HN 6.00 (# 1169:10 Unique 2.33, 4.57 A)
&rst
ixpk= 1169, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 320, 321,
&end
#
# 131 ASN HN 132 LEU HN 3.00 (# 1171:10 Unique 1.99, 2.54 A)
&rst
ixpk= 1171, nxpk= 10, iat=2035,2049, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 131 ASN HB- 132 LEU HN 6.00 (# 1172:10 Unique 2.34, 3.65 A)
&rst
ixpk= 1172, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2039,2040,
&end
#
# 0 AMB 10-2:1174 132 LEU HN 5.00 (# 1174:10 Single Ambig)
&rst
ixpk= 1174, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2056,1963,
&end
#
# 22 PHE HB+ 22 PHE HN 4.00 (# 1175:10 Unique 2.28, 3.02 A)
&rst
ixpk= 1175, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 339, 340,
&end
#
# 20 LYS HD+ 22 PHE HN 6.00 (# 1176:10 Unique 3.02, 4.65 A)
&rst
ixpk= 1176, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 301, 302,
&end
#
# 23 ASP HA 25 VAL HN 6.00 (# 1182:10 Unique 3.01, 3.45 A)
&rst
ixpk= 1182, nxpk= 10, iat= 357, 391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ARG HA 25 VAL HN 5.00 (# 1183:10 Unique 2.50, 2.68 A)
&rst
ixpk= 1183, nxpk= 10, iat= 369, 391, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1184 11 ASP HN 6.00 (# 1184:10 Single Ambig)
&rst
ixpk= 1184, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 146, 147, 493, 494,
&end
#
# 87 GLN HN 88 PHE HN 4.00 (# 1186:10 Unique 2.55, 2.94 A)
&rst
ixpk= 1186, nxpk= 10, iat=1357,1374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 ASP HA 88 PHE HN 5.00 (# 1188:10 Unique 3.34, 3.77 A)
&rst
ixpk= 1188, nxpk= 10, iat=1347,1374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 GLN HA 88 PHE HN 4.00 (# 1189:10 Unique 2.75, 3.41 A)
&rst
ixpk= 1189, nxpk= 10, iat=1359,1374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 ALA HA 88 PHE HN 6.00 (# 1190:10 Unique 4.24, 5.00 A)
&rst
ixpk= 1190, nxpk= 10, iat=1337,1374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 PHE HB+ 88 PHE HN 5.00 (# 1191:10 Unique 2.38, 3.33 A)
&rst
ixpk= 1191, nxpk= 10, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1378,1379,
&end
#
# 87 GLN HG+ 88 PHE HN 6.00 (# 1193:10 Unique 3.79, 5.13 A)
&rst
ixpk= 1193, nxpk= 10, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1364,1365,
&end
#
# 0 AMB 10-2:1194 88 PHE HN 5.00 (# 1194:10 Single Ambig)
&rst
ixpk= 1194, nxpk= 10, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1361,1362,2286,2287,
&end
#
# 24 ARG HN 25 VAL HN 4.00 (# 1197:10 Unique 1.97, 2.47 A)
&rst
ixpk= 1197, nxpk= 10, iat= 367, 391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 VAL HB 25 VAL HN 3.00 (# 1198:10 Unique 2.86, 2.99 A)
&rst
ixpk= 1198, nxpk= 10, iat= 395, 391, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 VAL HA 25 VAL HN 6.00 (# 1200:10 Unique 2.79, 2.85 A)
&rst
ixpk= 1200, nxpk= 10, iat= 393, 391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 VAL MGX 25 VAL HN 4.00 (# 1201:10 Unique 2.84, 4.28 A)
&rst
ixpk= 1201, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 397, 398, 399, 401, 402, 403,
&end
#
# 0 AMB 10-2:1202 11 ASP HN 6.00 (# 1202:10 Single Ambig)
&rst
ixpk= 1202, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 174, 889,
&end
#
# 11 ASP HA 11 ASP HN 6.00 (# 1204:10 Unique 2.94, 2.98 A)
&rst
ixpk= 1204, nxpk= 10, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PHE HA 11 ASP HN 5.00 (# 1206:10 Unique 2.08, 2.24 A)
&rst
ixpk= 1206, nxpk= 10, iat= 144, 162, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 CYS HB+ 11 ASP HN 6.00 (# 1207:10 Unique 2.85, 3.85 A)
&rst
ixpk= 1207, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 482, 483,
&end
#
# 11 ASP HB+ 11 ASP HN 4.00 (# 1208:10 Unique 2.26, 2.76 A)
&rst
ixpk= 1208, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 166, 167,
&end
#
# 31 GLU HB- 11 ASP HN 6.00 (# 1210:10 Unique 3.09, 4.54 A)
&rst
ixpk= 1210, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 493, 494,
&end
#
# 13 LYS HD+ 11 ASP HN 6.00 (# 1211:10 Unique 4.18, 4.87 A)
&rst
ixpk= 1211, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 200, 201,
&end
#
# 35 PHE HN 34 SER HN 6.00 (# 1229:10 Unique 2.14, 2.92 A)
&rst
ixpk= 1229, nxpk= 10, iat= 541, 530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1230 34 SER HN 6.00 (# 1230:10 Single Ambig)
&rst
ixpk= 1230, nxpk= 10, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 534, 535, 508, 509,
&end
#
# 35 PHE HD 35 PHE HN 6.00 (# 1231:10 Unique 2.73, 4.10 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 549, 557,
&end
#
# 36 LYS HA 35 PHE HN 6.00 (# 1233:10 Unique 4.16, 4.57 A)
&rst
ixpk= 1233, nxpk= 10, iat= 563, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 SER HN 35 PHE HN 6.00 (# 1235:10 Unique 2.14, 2.92 A)
&rst
ixpk= 1235, nxpk= 10, iat= 530, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 LYS HN 35 PHE HN 5.00 (# 1237:10 Unique 2.08, 2.95 A)
&rst
ixpk= 1237, nxpk= 10, iat= 561, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1238 35 PHE HN 6.00 (# 1238:10 Single Ambig)
&rst
ixpk= 1238, nxpk= 10, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 534, 535, 508, 509,
&end
#
# 34 SER HB+ 34 SER HN 6.00 (# 1239:10 Unique 2.41, 3.13 A)
&rst
ixpk= 1239, nxpk= 10, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 534, 535,
&end
#
# 24 ARG HB+ 24 ARG HN 4.00 (# 1243:10 Unique 2.95, 3.57 A)
&rst
ixpk= 1243, nxpk= 10, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 371, 372,
&end
#
# 25 VAL HN 24 ARG HN 4.00 (# 1246:10 Unique 1.97, 2.47 A)
&rst
ixpk= 1246, nxpk= 10, iat= 391, 367, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 ASP HA 24 ARG HN 4.00 (# 1247:10 Unique 2.72, 3.28 A)
&rst
ixpk= 1247, nxpk= 10, iat= 357, 367, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ARG HA 24 ARG HN 4.00 (# 1248:10 Unique 2.89, 2.97 A)
&rst
ixpk= 1248, nxpk= 10, iat= 369, 367, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ARG HD- 24 ARG HN 6.00 (# 1249:10 Unique 2.03, 3.03 A)
&rst
ixpk= 1249, nxpk= 10, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 377, 378,
&end
#
# 23 ASP HB+ 24 ARG HN 5.00 (# 1250:10 Unique 2.76, 4.03 A)
&rst
ixpk= 1250, nxpk= 10, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 359, 360,
&end
#
# 0 AMB 10-2:1251 24 ARG HN 5.00 (# 1251:10 Single Ambig)
&rst
ixpk= 1251, nxpk= 10, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 397, 398, 399, 401, 402, 403, 724, 725, 726,
&end
#
# 83 SER HB+ 83 SER HN 4.00 (# 1258:10 Unique 2.22, 2.96 A)
&rst
ixpk= 1258, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1304,1305,
&end
#
# 37 MET HG- 37 MET HN 4.00 (# 1260:10 Unique 1.94, 3.54 A)
&rst
ixpk= 1260, nxpk= 10, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 590, 591,
&end
#
# 82 PRO HA 83 SER HN 4.00 (# 1263:10 Unique 2.36, 3.06 A)
&rst
ixpk= 1263, nxpk= 10, iat=1296,1300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 82 PRO HB+ 83 SER HN 5.00 (# 1264:10 Unique 2.87, 4.16 A)
&rst
ixpk= 1264, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1293,1294,
&end
#
# 46 GLN HN 47 ILE HN 4.00 (# 1266:10 Unique 2.46, 2.67 A)
&rst
ixpk= 1266, nxpk= 10, iat= 730, 747, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 TYR HN 47 ILE HN 4.00 (# 1267:10 Unique 2.35, 2.55 A)
&rst
ixpk= 1267, nxpk= 10, iat= 766, 747, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 ILE HA 47 ILE HN 4.00 (# 1269:10 Unique 2.81, 2.86 A)
&rst
ixpk= 1269, nxpk= 10, iat= 749, 747, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1270 47 ILE HN 6.00 (# 1270:10 Single Ambig)
&rst
ixpk= 1270, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 701, 702, 377, 378,
&end
#
# 0 AMB 10-2:1271 47 ILE HN 5.00 (# 1271:10 Single Ambig)
&rst
ixpk= 1271, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 737, 738, 734, 735,
&end
#
# 0 AMB 10-2:1272 47 ILE HN 5.00 (# 1272:10 Single Ambig)
&rst
ixpk= 1272, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 734, 735, 715,
&end
#
# 47 ILE HB 47 ILE HN 4.00 (# 1273:10 Unique 2.49, 2.71 A)
&rst
ixpk= 1273, nxpk= 10, iat= 751, 747, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 ILE HG1- 47 ILE HN 5.00 (# 1274:10 Unique 1.72, 2.68 A)
&rst
ixpk= 1274, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 757, 758,
&end
#
# 47 ILE HG1+ 47 ILE HN 5.00 (# 1275:10 Unique 1.72, 2.68 A)
&rst
ixpk= 1275, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 757, 758,
&end
#
# 47 ILE QD1 47 ILE HN 4.00 (# 1276:10 Unique 1.79, 3.76 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 760, 761, 762,
&end
#
# 81 ARG HG+ 83 SER HN 6.00 (# 1284:10 Unique 3.64, 5.26 A)
&rst
ixpk= 1284, nxpk= 10, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1269,1270,
&end
#
# 104 THR HN 105 SER HN 6.00 (# 1285:10 Unique 1.78, 3.94 A)
&rst
ixpk= 1285, nxpk= 10, iat=1642,1656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1287 105 SER HN 4.00 (# 1287:10 Single Ambig)
&rst
ixpk= 1287, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1644,1658,
&end
#
# 106 THR HA 105 SER HN 4.00 (# 1288:10 Preassigned 4.23, 4.90 A)
&rst
ixpk= 1288, nxpk= 10, iat=1669,1656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 THR HB 105 SER HN 5.00 (# 1289:10 Unique 2.47, 3.56 A)
&rst
ixpk= 1289, nxpk= 10, iat=1646,1656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 SER HB- 105 SER HN 4.00 (# 1290:10 Unique 2.44, 3.32 A)
&rst
ixpk= 1290, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1660,1661,
&end
#
# 104 THR MG2 105 SER HN 6.00 (# 1291:10 Unique 2.32, 3.90 A)
&rst
ixpk= 1291, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
&end
#
# 10 PHE HN 56 PHE HN 5.00 (# 1296:10 Unique 2.72, 2.84 A)
&rst
ixpk= 1296, nxpk= 10, iat= 142, 889, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1298 56 PHE HN 6.00 (# 1298:10 Single Ambig)
&rst
ixpk= 1298, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 897, 905, 150, 158,
&end
#
# 0 AMB 10-2:1301 0 AMB 10-1:1301 4.00 (# 1301:10 Double Ambig)
&rst
ixpk= 1301, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 590, 591, 587, 588,1290,1291,
igr2= 583,1300,
&end
#
# 9 ILE QG2 56 PHE HN 6.00 (# 1306:10 Unique 3.16, 4.40 A)
&rst
ixpk= 1306, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 129, 130, 131,
&end
#
# 56 PHE HA 56 PHE HN 5.00 (# 1307:10 Unique 2.90, 2.94 A)
&rst
ixpk= 1307, nxpk= 10, iat= 891, 889, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1311 56 PHE HN 5.00 (# 1311:10 Single Ambig)
&rst
ixpk= 1311, nxpk= 10, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 871, 872, 871, 872,
&end
#
# 0 AMB 10-2:1313 37 MET HN 6.00 (# 1313:10 Single Ambig)
&rst
ixpk= 1313, nxpk= 10, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 549, 557,1743,
&end
#
# 37 MET HA 37 MET HN 6.00 (# 1314:10 Unique 2.77, 2.84 A)
&rst
ixpk= 1314, nxpk= 10, iat= 585, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 LYS HA 37 MET HN 5.00 (# 1315:10 Unique 2.39, 2.77 A)
&rst
ixpk= 1315, nxpk= 10, iat= 563, 583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1316 37 MET HN 5.00 (# 1316:10 Single Ambig)
&rst
ixpk= 1316, nxpk= 10, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 504, 541,
&end
#
# 36 LYS HN 37 MET HN 5.00 (# 1317:10 Unique 2.09, 2.96 A)
&rst
ixpk= 1317, nxpk= 10, iat= 561, 583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1319 37 MET HN 6.00 (# 1319:10 Single Ambig)
&rst
ixpk= 1319, nxpk= 10, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 571, 572,1737,1738,
&end
#
# 86 ASP HN 87 GLN HN 4.00 (# 1321:10 Unique 1.78, 2.70 A)
&rst
ixpk= 1321, nxpk= 10, iat=1345,1357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 ASP HA 87 GLN HN 5.00 (# 1324:10 Unique 3.30, 3.49 A)
&rst
ixpk= 1324, nxpk= 10, iat=1347,1357, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 GLN HA 87 GLN HN 4.00 (# 1325:10 Unique 2.16, 2.77 A)
&rst
ixpk= 1325, nxpk= 10, iat=1359,1357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 PHE HN 87 GLN HN 4.00 (# 1326:10 Unique 2.55, 2.94 A)
&rst
ixpk= 1326, nxpk= 10, iat=1374,1357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1327 87 GLN HN 5.00 (# 1327:10 Single Ambig)
&rst
ixpk= 1327, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1254,1255,1349,1350,
&end
#
# 87 GLN HG+ 87 GLN HN 4.00 (# 1328:10 Unique 1.77, 3.07 A)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1364,1365,
&end
#
# 87 GLN HB+ 87 GLN HN 3.00 (# 1329:10 Unique 2.41, 3.15 A)
&rst
ixpk= 1329, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1361,1362,
&end
#
# 35 PHE HN 36 LYS HN 3.00 (# 1331:10 Unique 2.08, 2.95 A)
&rst
ixpk= 1331, nxpk= 10, iat= 541, 561, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 MET HN 36 LYS HN 5.00 (# 1332:10 Unique 2.09, 2.96 A)
&rst
ixpk= 1332, nxpk= 10, iat= 583, 561, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1333 36 LYS HN 6.00 (# 1333:10 Single Ambig)
&rst
ixpk= 1333, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 549, 557,1743,
&end
#
# 36 LYS HA 36 LYS HN 3.00 (# 1336:10 Unique 2.22, 2.49 A)
&rst
ixpk= 1336, nxpk= 10, iat= 563, 561, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 PHE HB+ 36 LYS HN 6.00 (# 1337:10 Unique 1.75, 3.52 A)
&rst
ixpk= 1337, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 545, 546,
&end
#
# 0 AMB 10-2:1338 36 LYS HN 4.00 (# 1338:10 Single Ambig)
&rst
ixpk= 1338, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 565, 566, 587, 588,
&end
#
# 36 LYS HD+ 36 LYS HN 5.00 (# 1339:10 Unique 2.29, 4.88 A)
&rst
ixpk= 1339, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 571, 572,
&end
#
# 87 GLN HN 86 ASP HN 4.00 (# 1345:10 Unique 1.78, 2.70 A)
&rst
ixpk= 1345, nxpk= 10, iat=1357,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 ASP HA 86 ASP HN 4.00 (# 1346:10 Unique 2.26, 2.79 A)
&rst
ixpk= 1346, nxpk= 10, iat=1347,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 ALA HA 86 ASP HN 6.00 (# 1347:10 Unique 2.18, 2.86 A)
&rst
ixpk= 1347, nxpk= 10, iat=1337,1345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1348 86 ASP HN 3.00 (# 1348:10 Single Ambig)
&rst
ixpk= 1348, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1349,1350,1254,1255,
&end
#
# 85 ALA MB 86 ASP HN 5.00 (# 1349:10 Unique 2.60, 4.23 A)
&rst
ixpk= 1349, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1339,1340,1341,
&end
#
# 35 PHE HB- 36 LYS HN 6.00 (# 1351:10 Unique 1.75, 3.52 A)
&rst
ixpk= 1351, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 545, 546,
&end
#
# 0 AMB 10-2:1355 0 AMB 10-1:1355 6.00 (# 1355:10 Double Ambig)
&rst
ixpk= 1355, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2030,2031,2100,2108,
igr2=2035,2155,
&end
#
# 140 ARG HN 139 SER HN 5.00 (# 1360:10 Unique 2.18, 2.89 A)
&rst
ixpk= 1360, nxpk= 10, iat=2166,2155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 SER HA 139 SER HN 4.00 (# 1361:10 Unique 2.68, 2.87 A)
&rst
ixpk= 1361, nxpk= 10, iat=2157,2155, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 139 SER HB- 139 SER HN 4.00 (# 1362:10 Unique 2.28, 3.13 A)
&rst
ixpk= 1362, nxpk= 10, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2159,2160,
&end
#
# 137 VAL HA 139 SER HN 5.00 (# 1363:10 Unique 3.64, 4.07 A)
&rst
ixpk= 1363, nxpk= 10, iat=2129,2155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 VAL MGY 139 SER HN 5.00 (# 1364:10 Unique 2.38, 5.05 A)
&rst
ixpk= 1364, nxpk= 10, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1519,1520,1521,1523,1524,1525,
&end
#
# 0 AMB 10-2:1365 0 AMB 10-1:1365 4.00 (# 1365:10 Double Ambig)
&rst
ixpk= 1365, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1519,1520,1521,1523,1524,1525,1763,1764,1765,1767,
1768,1769,1763,1764,1765,1767,1768,1769,
igr2=2155,2035,
&end
#
# 109 ALA HA 110 THR HN 3.00 (# 1369:10 Unique 2.14, 2.41 A)
&rst
ixpk= 1369, nxpk= 10, iat=1708,1716, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1370 110 THR HN 5.00 (# 1370:10 Single Ambig)
&rst
ixpk= 1370, nxpk= 10, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1710,1711,1712,1700,1701,1702,
&end
#
# 110 THR MG2 110 THR HN 5.00 (# 1371:10 Unique 2.24, 3.91 A)
&rst
ixpk= 1371, nxpk= 10, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1722,1723,1724,
&end
#
# 111 ARG HN 110 THR HN 5.00 (# 1373:10 Unique 1.94, 2.64 A)
&rst
ixpk= 1373, nxpk= 10, iat=1730,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1376 62 SER HN 5.00 (# 1376:10 Single Ambig)
&rst
ixpk= 1376, nxpk= 10, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 989, 6,
&end
#
# 0 AMB 10-2:1378 0 AMB 10-1:1378 3.00 (# 1378:10 Double Ambig)
&rst
ixpk= 1378, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2143,2021,
igr2=2155,2035,
&end
#
# 0 AMB 10-2:1379 131 ASN HN 6.00 (# 1379:10 Single Ambig)
&rst
ixpk= 1379, nxpk= 10, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1999,2011,
&end
#
# 0 AMB 10-2:1380 131 ASN HN 3.00 (# 1380:10 Single Ambig)
&rst
ixpk= 1380, nxpk= 10, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2049,2044,2045,
&end
#
# 131 ASN HA 131 ASN HN 4.00 (# 1381:10 Unique 2.79, 2.91 A)
&rst
ixpk= 1381, nxpk= 10, iat=2037,2035, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 130 ASN HA 131 ASN HN 4.00 (# 1382:10 Unique 3.45, 3.51 A)
&rst
ixpk= 1382, nxpk= 10, iat=2023,2035, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 129 ALA HA 131 ASN HN 6.00 (# 1383:10 Unique 3.61, 3.90 A)
&rst
ixpk= 1383, nxpk= 10, iat=2013,2035, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1384 0 AMB 10-1:1384 3.00 (# 1384:10 Double Ambig)
&rst
ixpk= 1384, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2039,2040,2096,2097,
igr2=2035,2155,
&end
#
# 0 AMB 10-2:1386 131 ASN HN 5.00 (# 1386:10 Single Ambig)
&rst
ixpk= 1386, nxpk= 10, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=2053,2054,2015,2016,2017,
&end
#
# 0 AMB 10-2:1388 0 AMB 10-1:1388 6.00 (# 1388:10 Double Ambig)
&rst
ixpk= 1388, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=2053,2054,2173,2174,1761, 991, 992, 993,
igr2=2035,2155,
&end
#
# 0 AMB 10-2:1389 131 ASN HN 3.00 (# 1389:10 Single Ambig)
&rst
ixpk= 1389, nxpk= 10, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2039,2040,2025,2026,2003,2004,
&end
#
# 0 AMB 10-2:1390 0 AMB 10-1:1390 3.00 (# 1390:10 Double Ambig)
&rst
ixpk= 1390, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2039,2040,2025,2026,2003,2004,
igr2=2035,2030,2031,2030,2031,
&end
#
# 130 ASN HA 130 ASN HD2- 6.00 (# 1391:10 Unique 2.53, 4.16 A)
&rst
ixpk= 1391, nxpk= 10, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2030,2031,
&end
#
# 15 ILE HN 14 ASP HN 6.00 (# 1392:10 Unique 4.45, 4.50 A)
&rst
ixpk= 1392, nxpk= 10, iat= 224, 212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 CYS HA 14 ASP HN 6.00 (# 1393:10 Unique 3.68, 3.92 A)
&rst
ixpk= 1393, nxpk= 10, iat= 480, 212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 HIS HB- 14 ASP HN 6.00 (# 1394:10 Unique 2.28, 3.62 A)
&rst
ixpk= 1394, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 465, 466,
&end
#
# 130 ASN HN 130 ASN HD2- 6.00 (# 1398:10 Unique 2.25, 4.68 A)
&rst
ixpk= 1398, nxpk= 10, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2030,2031,
&end
#
# 0 AMB 10-2:1400 130 ASN HD2- 4.00 (# 1400:10 Single Ambig)
&rst
ixpk= 1400, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2025,2026,2039,2040,
igr2=2030,2031,
&end
#
# 0 AMB 10-2:1401 94 GLY HN 6.00 (# 1401:10 Single Ambig)
&rst
ixpk= 1401, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2214,2223,1051,1056,
&end
#
# 94 GLY HA- 94 GLY HN 6.00 (# 1402:10 Unique 2.67, 2.82 A)
&rst
ixpk= 1402, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1486,1487,
&end
#
# 0 AMB 10-2:1403 94 GLY HN 5.00 (# 1403:10 Single Ambig)
&rst
ixpk= 1403, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
&end
#
# 113 SER HB- 113 SER HN 6.00 (# 1405:10 Unique 2.87, 3.52 A)
&rst
ixpk= 1405, nxpk= 10, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1777,1778,
&end
#
# 13 LYS HN 14 ASP HN 4.00 (# 1406:10 Unique 1.78, 1.90 A)
&rst
ixpk= 1406, nxpk= 10, iat= 190, 212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 VAL HN 14 ASP HN 6.00 (# 1407:10 Unique 5.36, 5.85 A)
&rst
ixpk= 1407, nxpk= 10, iat= 174, 212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ASP HA 14 ASP HN 5.00 (# 1409:10 Unique 2.97, 2.99 A)
&rst
ixpk= 1409, nxpk= 10, iat= 214, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 LYS HA 14 ASP HN 5.00 (# 1410:10 Unique 3.36, 3.45 A)
&rst
ixpk= 1410, nxpk= 10, iat= 192, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 VAL HA 14 ASP HN 5.00 (# 1411:10 Unique 3.28, 3.52 A)
&rst
ixpk= 1411, nxpk= 10, iat= 176, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 LYS HE+ 14 ASP HN 6.00 (# 1412:10 Unique 5.45, 6.17 A)
&rst
ixpk= 1412, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 203, 204,
&end
#
# 14 ASP HB+ 14 ASP HN 5.00 (# 1413:10 Unique 2.80, 3.10 A)
&rst
ixpk= 1413, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 216, 217,
&end
#
# 14 ASP HB- 14 ASP HN 6.00 (# 1414:10 Unique 2.80, 3.10 A)
&rst
ixpk= 1414, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 216, 217,
&end
#
# 0 AMB 10-2:1415 14 ASP HN 5.00 (# 1415:10 Single Ambig)
&rst
ixpk= 1415, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 194, 195, 446, 447,
&end
#
# 0 AMB 10-2:1417 14 ASP HN 5.00 (# 1417:10 Single Ambig)
&rst
ixpk= 1417, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 197, 198, 234, 235,
&end
#
# 12 VAL MGX 14 ASP HN 4.00 (# 1418:10 Unique 2.46, 4.40 A)
&rst
ixpk= 1418, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 10-2:1419 14 ASP HN 6.00 (# 1419:10 Single Ambig)
&rst
ixpk= 1419, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 237, 238, 239, 644, 645, 646,
&end
#
# 94 GLY HN 141 VAL HN 5.00 (# 1424:10 Unique 3.38, 5.82 A)
&rst
ixpk= 1424, nxpk= 10, iat=1484,2190, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 140 ARG HA 141 VAL HN 3.00 (# 1427:10 Unique 2.11, 2.35 A)
&rst
ixpk= 1427, nxpk= 10, iat=2168,2190, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 VAL HB 141 VAL HN 6.00 (# 1428:10 Unique 2.38, 3.48 A)
&rst
ixpk= 1428, nxpk= 10, iat=2194,2190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 140 ARG HB+ 141 VAL HN 6.00 (# 1429:10 Unique 3.56, 4.48 A)
&rst
ixpk= 1429, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2170,2171,
&end
#
# 0 AMB 10-2:1430 141 VAL HN 6.00 (# 1430:10 Single Ambig)
&rst
ixpk= 1430, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2170,2171,2234,
&end
#
# 0 AMB 10-2:1431 141 VAL HN 4.00 (# 1431:10 Single Ambig)
&rst
ixpk= 1431, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2196,2197,2198,2200,2201,2202,2196,2197,2198,2200,
2201,2202,
&end
#
# 93 TYR HD 94 GLY HN 5.00 (# 1432:10 Unique 2.37, 4.21 A)
&rst
ixpk= 1432, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1471,1480,
&end
#
# 93 TYR HA 94 GLY HN 3.00 (# 1433:10 Unique 2.29, 2.38 A)
&rst
ixpk= 1433, nxpk= 10, iat=1465,1484, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 94 GLY HA+ 94 GLY HN 6.00 (# 1434:10 Unique 2.67, 2.82 A)
&rst
ixpk= 1434, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1486,1487,
&end
#
# 114 ALA HN 113 SER HN 5.00 (# 1436:10 Unique 3.97, 4.14 A)
&rst
ixpk= 1436, nxpk= 10, iat=1784,1773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 GLY HN 113 SER HN 4.00 (# 1437:10 Unique 5.00, 5.19 A)
&rst
ixpk= 1437, nxpk= 10, iat=1608,1773, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 LEU HA 113 SER HN 4.00 (# 1439:10 Unique 2.28, 2.41 A)
&rst
ixpk= 1439, nxpk= 10, iat=1756,1773, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 LEU HB+ 113 SER HN 5.00 (# 1440:10 Unique 2.54, 3.59 A)
&rst
ixpk= 1440, nxpk= 10, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1758,1759,
&end
#
# 12 VAL MGY 14 ASP HN 6.00 (# 1441:10 Unique 2.46, 4.40 A)
&rst
ixpk= 1441, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 0 AMB 10-2:1443 69 THR HN 6.00 (# 1443:10 Single Ambig)
&rst
ixpk= 1443, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1133,1134,1081,1082,1145,1146,
&end
#
# 0 AMB 10-2:1444 94 GLY HN 5.00 (# 1444:10 Single Ambig)
&rst
ixpk= 1444, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2190,1491,
&end
#
# 0 AMB 10-2:1446 69 THR HN 4.00 (# 1446:10 Single Ambig)
&rst
ixpk= 1446, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1110,1089,
&end
#
# 0 AMB 10-2:1449 69 THR HN 6.00 (# 1449:10 Single Ambig)
&rst
ixpk= 1449, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1079,1177,
&end
#
# 0 AMB 10-2:1450 69 THR HN 4.00 (# 1450:10 Single Ambig)
&rst
ixpk= 1450, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1098,1162,
&end
#
# 69 THR HB 69 THR HN 4.00 (# 1451:10 Unique 2.78, 3.19 A)
&rst
ixpk= 1451, nxpk= 10, iat=1100,1096, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 GLY HA- 69 THR HN 4.00 (# 1452:10 Unique 2.08, 2.85 A)
&rst
ixpk= 1452, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1091,1092,
&end
#
# 0 AMB 10-2:1453 69 THR HN 6.00 (# 1453:10 Single Ambig)
&rst
ixpk= 1453, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1045,1046,1081,1082,1467,1468,
&end
#
# 69 THR HG1 69 THR HN 3.00 (# 1454:10 Unique 1.69, 2.15 A)
&rst
ixpk= 1454, nxpk= 10, iat=1106,1096, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 129 ALA HN 130 ASN HN 4.00 (# 1458:10 Unique 2.86, 3.02 A)
&rst
ixpk= 1458, nxpk= 10, iat=2011,2021, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1459 130 ASN HN 4.00 (# 1459:10 Single Ambig)
&rst
ixpk= 1459, nxpk= 10, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2030,2031,2035,
&end
#
# 0 AMB 10-2:1460 130 ASN HN 6.00 (# 1460:10 Single Ambig)
&rst
ixpk= 1460, nxpk= 10, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2044,2045,2081,
&end
#
# 130 ASN HA 130 ASN HN 4.00 (# 1461:10 Unique 2.80, 2.86 A)
&rst
ixpk= 1461, nxpk= 10, iat=2023,2021, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1463 130 ASN HN 3.00 (# 1463:10 Single Ambig)
&rst
ixpk= 1463, nxpk= 10, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2025,2026,2003,2004,
&end
#
# 129 ALA MB 130 ASN HN 4.00 (# 1464:10 Unique 2.54, 3.63 A)
&rst
ixpk= 1464, nxpk= 10, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2015,2016,2017,
&end
#
# 130 ASN HD2- 130 ASN HN 6.00 (# 1467:10 Unique 2.25, 4.68 A)
&rst
ixpk= 1467, nxpk= 10, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2030,2031,
&end
#
# 128 ASP HA 130 ASN HN 6.00 (# 1471:10 Unique 4.13, 4.40 A)
&rst
ixpk= 1471, nxpk= 10, iat=2001,2021, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 SER HA 106 THR HN 4.00 (# 1475:10 Unique 2.14, 3.35 A)
&rst
ixpk= 1475, nxpk= 10, iat=1658,1667, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 THR MG2 106 THR HN 4.00 (# 1476:10 Unique 2.53, 3.93 A)
&rst
ixpk= 1476, nxpk= 10, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1673,1674,1675,
&end
#
# 0 AMB 10-2:1481 106 THR HN 4.00 (# 1481:10 Single Ambig)
&rst
ixpk= 1481, nxpk= 10, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1669,1671,
&end
#
# 0 AMB 10-2:1482 106 THR HN 5.00 (# 1482:10 Single Ambig)
&rst
ixpk= 1482, nxpk= 10, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1660,1661,1660,1661,
&end
#
# 131 ASN HA 131 ASN HD2+ 6.00 (# 1484:10 Unique 2.31, 4.31 A)
&rst
ixpk= 1484, nxpk= 10, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2044,2045,
&end
#
# 35 PHE HB+ 131 ASN HD2+ 6.00 (# 1485:10 Unique 1.85, 3.64 A)
&rst
ixpk= 1485, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 545, 546,
igr2=2044,2045,
&end
#
# 131 ASN HB- 131 ASN HD2+ 5.00 (# 1486:10 Unique 2.21, 3.32 A)
&rst
ixpk= 1486, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2039,2040,
igr2=2044,2045,
&end
#
# 36 LYS HD+ 131 ASN HD2+ 6.00 (# 1487:10 Unique 3.59, 7.87 A)
&rst
ixpk= 1487, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 571, 572,
igr2=2044,2045,
&end
#
# 128 ASP HN 131 ASN HD2+ 6.00 (# 1488:10 Unique 1.98, 3.10 A)
&rst
ixpk= 1488, nxpk= 10, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2044,2045,
&end
#
# 0 AMB 10-2:1489 0 AMB 10-1:1489 6.00 (# 1489:10 Double Ambig)
&rst
ixpk= 1489, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2035,2030,2031,
igr2=2044,2045,2044,2045,
&end
#
# 0 AMB 10-2:1491 0 AMB 10-1:1491 4.00 (# 1491:10 Double Ambig)
&rst
ixpk= 1491, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2030,2031, 561,
igr2=2044,2045,2044,2045,
&end
#
# 0 AMB 10-2:1493 0 AMB 10-1:1493 5.00 (# 1493:10 Double Ambig)
&rst
ixpk= 1493, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=2003,2004,2039,2040,
igr2=2044,2045,2044,2045,
&end
#
# 0 AMB 10-2:1494 131 ASN HD2- 5.00 (# 1494:10 Single Ambig)
&rst
ixpk= 1494, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 549, 557, 86, 90,
igr2=2044,2045,
&end
#
# 0 AMB 10-2:1496 131 ASN HD2- 5.00 (# 1496:10 Single Ambig)
&rst
ixpk= 1496, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2030,2031, 561,
igr2=2044,2045,
&end
#
# 0 AMB 10-2:1497 131 ASN HD2- 6.00 (# 1497:10 Single Ambig)
&rst
ixpk= 1497, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 545, 546,2003,2004,
igr2=2044,2045,
&end
#
# 0 AMB 10-2:1498 131 ASN HD2- 5.00 (# 1498:10 Single Ambig)
&rst
ixpk= 1498, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2003,2004,2039,2040,
igr2=2044,2045,
&end
#
# 131 ASN HB- 131 ASN HD2- 6.00 (# 1499:10 Unique 2.21, 3.32 A)
&rst
ixpk= 1499, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2039,2040,
igr2=2044,2045,
&end
#
# 105 SER HN 104 THR HN 5.00 (# 1508:10 Unique 1.78, 3.94 A)
&rst
ixpk= 1508, nxpk= 10, iat=1656,1642, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 THR HA 104 THR HN 6.00 (# 1509:10 Unique 2.12, 2.86 A)
&rst
ixpk= 1509, nxpk= 10, iat=1644,1642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 THR MG2 104 THR HN 6.00 (# 1510:10 Unique 2.21, 3.52 A)
&rst
ixpk= 1510, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
&end
#
# 103 GLU HN 104 THR HN 5.00 (# 1511:10 Unique 2.04, 2.78 A)
&rst
ixpk= 1511, nxpk= 10, iat=1627,1642, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 ALA HN 104 THR HN 5.00 (# 1513:10 Unique 3.53, 5.47 A)
&rst
ixpk= 1513, nxpk= 10, iat=1696,1642, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1515 104 THR HN 4.00 (# 1515:10 Single Ambig)
&rst
ixpk= 1515, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1629,1698,
&end
#
# 103 GLU HB+ 104 THR HN 6.00 (# 1516:10 Unique 2.92, 4.07 A)
&rst
ixpk= 1516, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1631,1632,
&end
#
# 76 ASN HB+ 76 ASN HD2+ 4.00 (# 1520:10 Unique 2.17, 3.38 A)
&rst
ixpk= 1520, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1200,1201,
igr2=1205,1206,
&end
#
# 76 ASN HB- 76 ASN HD2+ 4.00 (# 1521:10 Unique 2.17, 3.38 A)
&rst
ixpk= 1521, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1200,1201,
igr2=1205,1206,
&end
#
# 76 ASN HB+ 76 ASN HD2- 5.00 (# 1523:10 Unique 2.17, 3.38 A)
&rst
ixpk= 1523, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1200,1201,
igr2=1205,1206,
&end
#
# 76 ASN HB- 76 ASN HD2- 5.00 (# 1524:10 Unique 2.17, 3.38 A)
&rst
ixpk= 1524, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1200,1201,
igr2=1205,1206,
&end
#
# 0 AMB 10-2:1526 76 ASN HD2- 6.00 (# 1526:10 Single Ambig)
&rst
ixpk= 1526, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1240,1177,
igr2=1205,1206,
&end
#
# 0 AMB 10-2:1529 0 AMB 10-1:1529 6.00 (# 1529:10 Double Ambig)
&rst
ixpk= 1529, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1226,1708,1228,1629,
igr2=1205,1206,1987,1988,
&end
#
# 74 GLU HB- 76 ASN HD2- 6.00 (# 1530:10 Unique 2.97, 5.80 A)
&rst
ixpk= 1530, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1164,1165,
igr2=1205,1206,
&end
#
# 111 ARG HB+ 126 GLN HE2+ 6.00 (# 1535:10 Unique 1.71, 3.15 A)
&rst
ixpk= 1535, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1734,1735,
igr2=1987,1988,
&end
#
# 74 GLU HG+ 76 ASN HD2- 4.00 (# 1537:10 Unique 2.39, 5.25 A)
&rst
ixpk= 1537, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1167,1168,
igr2=1205,1206,
&end
#
# 111 ARG HB+ 126 GLN HE2- 6.00 (# 1538:10 Unique 1.71, 3.15 A)
&rst
ixpk= 1538, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1734,1735,
igr2=1987,1988,
&end
#
# 0 AMB 10-2:1544 54 ASP HN 6.00 (# 1544:10 Single Ambig)
&rst
ixpk= 1544, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 178, 859, 860,
&end
#
# 12 VAL MGX 54 ASP HN 6.00 (# 1545:10 Unique 2.03, 4.56 A)
&rst
ixpk= 1545, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 180, 181, 182, 184, 185, 186,
&end
#
# 24 ARG HD- 24 ARG HE 6.00 (# 1555:10 Unique 2.22, 2.73 A)
&rst
ixpk= 1555, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 377, 378,
&end
#
# 0 AMB 10-2:1570 46 GLN HE2- 6.00 (# 1570:10 Single Ambig)
&rst
ixpk= 1570, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 749, 732,
igr2= 742, 743,
&end
#
# 0 AMB 10-2:1571 46 GLN HE2- 6.00 (# 1571:10 Single Ambig)
&rst
ixpk= 1571, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 374, 375, 757, 758,
igr2= 742, 743,
&end
#
# 0 AMB 10-2:1576 0 AMB 10-1:1576 6.00 (# 1576:10 Double Ambig)
&rst
ixpk= 1576, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 377, 378, 377, 378,
igr2= 742, 743, 742, 743,
&end
#
# 100 GLU HA 101 GLY HN 4.00 (# 1580:10 Unique 3.27, 3.62 A)
&rst
ixpk= 1580, nxpk= 10, iat=1595,1608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 GLY HA+ 101 GLY HN 6.00 (# 1581:10 Unique 2.29, 2.76 A)
&rst
ixpk= 1581, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1610,1611,
&end
#
# 99 ILE QD1 101 GLY HN 6.00 (# 1582:10 Unique 1.70, 2.58 A)
&rst
ixpk= 1582, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1587,1588,1589,
&end
#
# 126 GLN HB- 127 GLY HN 6.00 (# 1590:10 Unique 2.80, 4.32 A)
&rst
ixpk= 1590, nxpk= 10, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1979,1980,
&end
#
# 113 SER HA 127 GLY HN 6.00 (# 1591:10 Unique 3.27, 3.63 A)
&rst
ixpk= 1591, nxpk= 10, iat=1775,1992, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 127 GLY HA+ 127 GLY HN 5.00 (# 1592:10 Unique 2.66, 2.83 A)
&rst
ixpk= 1592, nxpk= 10, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1994,1995,
&end
#
# 127 GLY HA- 127 GLY HN 6.00 (# 1593:10 Unique 2.66, 2.83 A)
&rst
ixpk= 1593, nxpk= 10, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1994,1995,
&end
#
# 126 GLN HB+ 127 GLY HN 5.00 (# 1594:10 Unique 2.80, 4.32 A)
&rst
ixpk= 1594, nxpk= 10, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1979,1980,
&end
#
# 126 GLN HG+ 127 GLY HN 6.00 (# 1595:10 Unique 2.74, 4.16 A)
&rst
ixpk= 1595, nxpk= 10, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1982,1983,
&end
#
# 112 LEU HB+ 127 GLY HN 6.00 (# 1596:10 Unique 2.78, 4.40 A)
&rst
ixpk= 1596, nxpk= 10, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1758,1759,
&end
#
# 132 LEU MDY 127 GLY HN 5.00 (# 1597:10 Unique 2.50, 6.98 A)
&rst
ixpk= 1597, nxpk= 10, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 46 GLN HG+ 46 GLN HE2- 5.00 (# 1601:10 Unique 2.19, 3.30 A)
&rst
ixpk= 1601, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 737, 738,
igr2= 742, 743,
&end
#
# 0 AMB 10-2:1602 46 GLN HE2- 5.00 (# 1602:10 Single Ambig)
&rst
ixpk= 1602, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 737, 738, 734, 735,
igr2= 742, 743,
&end
#
# 46 GLN HB+ 46 GLN HE2- 6.00 (# 1603:10 Unique 2.23, 4.15 A)
&rst
ixpk= 1603, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 734, 735,
igr2= 742, 743,
&end
#
# 0 AMB 10-2:1606 0 AMB 10-1:1606 6.00 (# 1606:10 Double Ambig)
&rst
ixpk= 1606, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 749, 732,
igr2= 742, 743, 742, 743,
&end
#
# 46 GLN HG+ 46 GLN HE2+ 6.00 (# 1607:10 Unique 2.19, 3.30 A)
&rst
ixpk= 1607, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 737, 738,
igr2= 742, 743,
&end
#
# 0 AMB 10-2:1608 0 AMB 10-1:1608 6.00 (# 1608:10 Double Ambig)
&rst
ixpk= 1608, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 737, 738, 734, 735,
igr2= 742, 743, 742, 743,
&end
#
# 101 GLY HA- 101 GLY HN 6.00 (# 1612:10 Unique 2.29, 2.76 A)
&rst
ixpk= 1612, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1610,1611,
&end
#
# 100 GLU HG+ 101 GLY HN 5.00 (# 1613:10 Unique 2.21, 2.87 A)
&rst
ixpk= 1613, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1600,1601,
&end
#
# 126 GLN HA 127 GLY HN 4.00 (# 1616:10 Unique 2.19, 2.28 A)
&rst
ixpk= 1616, nxpk= 10, iat=1977,1992, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 ARG HG+ 127 GLY HN 5.00 (# 1617:10 Unique 3.16, 5.20 A)
&rst
ixpk= 1617, nxpk= 10, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1737,1738,
&end
#
# 99 ILE HN 101 GLY HN 5.00 (# 1619:10 Unique 3.98, 4.54 A)
&rst
ixpk= 1619, nxpk= 10, iat=1574,1608, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 ASP HN 78 THR HN 6.00 (# 1627:10 Unique 3.77, 4.74 A)
&rst
ixpk= 1627, nxpk= 10, iat=1250,1224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1635 78 THR HN 6.00 (# 1635:10 Single Ambig)
&rst
ixpk= 1635, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1240,1177,
&end
#
# 0 AMB 10-2:1636 78 THR HN 3.00 (# 1636:10 Single Ambig)
&rst
ixpk= 1636, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1228,1220,
&end
#
# 77 PRO HD+ 78 THR HN 5.00 (# 1637:10 Unique 2.65, 3.62 A)
&rst
ixpk= 1637, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1211,1212,
&end
#
# 77 PRO HD- 78 THR HN 6.00 (# 1638:10 Unique 2.65, 3.62 A)
&rst
ixpk= 1638, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1211,1212,
&end
#
# 76 ASN HB+ 78 THR HN 6.00 (# 1639:10 Unique 2.20, 3.73 A)
&rst
ixpk= 1639, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1200,1201,
&end
#
# 76 ASN HB- 78 THR HN 6.00 (# 1640:10 Unique 2.20, 3.73 A)
&rst
ixpk= 1640, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1200,1201,
&end
#
# 77 PRO HB+ 78 THR HN 5.00 (# 1641:10 Unique 2.54, 3.90 A)
&rst
ixpk= 1641, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1217,1218,
&end
#
# 0 AMB 10-2:1642 78 THR HN 4.00 (# 1642:10 Single Ambig)
&rst
ixpk= 1642, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1214,1215,1214,1215,
&end
#
# 78 THR MG2 78 THR HN 4.00 (# 1643:10 Unique 2.46, 3.91 A)
&rst
ixpk= 1643, nxpk= 10, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1230,1231,1232,
&end
#
# 111 ARG HD+ 111 ARG HE 4.00 (# 1653:10 Unique 2.30, 2.73 A)
&rst
ixpk= 1653, nxpk= 10, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1740,1741,
&end
#
# 36 LYS HD+ 111 ARG HE 4.00 (# 1654:10 Unique 3.28, 6.53 A)
&rst
ixpk= 1654, nxpk= 10, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 571, 572,
&end
#
# 111 ARG HG- 111 ARG HE 6.00 (# 1655:10 Unique 2.33, 2.93 A)
&rst
ixpk= 1655, nxpk= 10, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1737,1738,
&end
#
# 44 ASN HB- 44 ASN HD2- 5.00 (# 1657:10 Unique 2.21, 3.26 A)
&rst
ixpk= 1657, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 701, 702,
igr2= 706, 707,
&end
#
# 47 ILE QD1 44 ASN HD2- 5.00 (# 1659:10 Unique 2.22, 4.77 A)
&rst
ixpk= 1659, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 760, 761, 762,
igr2= 706, 707,
&end
#
# 0 AMB 10-2:1660 44 ASN HD2- 6.00 (# 1660:10 Single Ambig)
&rst
ixpk= 1660, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 377, 378, 377, 378,
igr2= 706, 707,
&end
#
# 47 ILE HG1- 44 ASN HD2- 6.00 (# 1661:10 Unique 2.22, 4.19 A)
&rst
ixpk= 1661, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 757, 758,
igr2= 706, 707,
&end
#
# 44 ASN HB+ 44 ASN HD2+ 6.00 (# 1666:10 Unique 2.21, 3.26 A)
&rst
ixpk= 1666, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 701, 702,
igr2= 706, 707,
&end
#
# 44 ASN HB- 44 ASN HD2+ 6.00 (# 1667:10 Unique 2.21, 3.26 A)
&rst
ixpk= 1667, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 701, 702,
igr2= 706, 707,
&end
#
# 47 ILE QD1 44 ASN HD2+ 5.00 (# 1668:10 Unique 2.22, 4.77 A)
&rst
ixpk= 1668, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 760, 761, 762,
igr2= 706, 707,
&end
#
# 25 VAL MGX 44 ASN HD2+ 6.00 (# 1669:10 Unique 3.05, 6.40 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 397, 398, 399, 401, 402, 403,
igr2= 706, 707,
&end
#
# 87 GLN HB+ 87 GLN HE2- 5.00 (# 1710:10 Unique 2.06, 3.80 A)
&rst
ixpk= 1710, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1361,1362,
igr2=1369,1370,
&end
#
# 87 GLN HB+ 87 GLN HE2+ 5.00 (# 1717:10 Unique 2.06, 3.80 A)
&rst
ixpk= 1717, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1361,1362,
igr2=1369,1370,
&end
#
# 72 ASP HA 73 GLY HN 4.00 (# 1727:10 Unique 2.12, 3.03 A)
&rst
ixpk= 1727, nxpk= 10, iat=1143,1153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 70 LEU HA 73 GLY HN 6.00 (# 1728:10 Unique 3.47, 5.61 A)
&rst
ixpk= 1728, nxpk= 10, iat=1112,1153, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 73 GLY HA+ 73 GLY HN 3.00 (# 1729:10 Unique 2.29, 2.73 A)
&rst
ixpk= 1729, nxpk= 10, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1155,1156,
&end
#
# 0 AMB 10-2:1730 73 GLY HN 4.00 (# 1730:10 Single Ambig)
&rst
ixpk= 1730, nxpk= 10, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1145,1146,1133,1134,
&end
#
# 74 GLU HA 73 GLY HN 6.00 (# 1731:10 Unique 3.90, 4.80 A)
&rst
ixpk= 1731, nxpk= 10, iat=1162,1153, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 THR HN 68 GLY HN 4.00 (# 1736:10 Unique 2.48, 3.36 A)
&rst
ixpk= 1736, nxpk= 10, iat=1096,1089, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 ASP HA 68 GLY HN 4.00 (# 1737:10 Unique 2.56, 3.07 A)
&rst
ixpk= 1737, nxpk= 10, iat=1079,1089, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 GLY HA+ 68 GLY HN 3.00 (# 1738:10 Unique 2.58, 2.78 A)
&rst
ixpk= 1738, nxpk= 10, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1091,1092,
&end
#
# 68 GLY HA- 68 GLY HN 3.00 (# 1739:10 Unique 2.58, 2.78 A)
&rst
ixpk= 1739, nxpk= 10, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1091,1092,
&end
#
# 0 AMB 10-2:1740 68 GLY HN 5.00 (# 1740:10 Single Ambig)
&rst
ixpk= 1740, nxpk= 10, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1045,1046,1081,1082,
&end
#
# 0 AMB 10-2:1741 68 GLY HN 5.00 (# 1741:10 Single Ambig)
&rst
ixpk= 1741, nxpk= 10, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1081,1082,1133,1134,
&end
#
# 0 AMB 10-2:1742 68 GLY HN 6.00 (# 1742:10 Single Ambig)
&rst
ixpk= 1742, nxpk= 10, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1106,1014,1015,1016,
&end
#
# 133 HIS HB- 134 GLY HN 6.00 (# 1747:10 Unique 2.08, 4.06 A)
&rst
ixpk= 1747, nxpk= 10, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2072,2073,
&end
#
# 133 HIS HA 134 GLY HN 4.00 (# 1759:10 Unique 2.05, 2.67 A)
&rst
ixpk= 1759, nxpk= 10, iat=2070,2085, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 134 GLY HA+ 134 GLY HN 4.00 (# 1760:10 Unique 2.30, 2.68 A)
&rst
ixpk= 1760, nxpk= 10, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2087,2088,
&end
#
# 18 GLU HN 19 GLY HN 4.00 (# 1763:10 Unique 1.89, 2.84 A)
&rst
ixpk= 1763, nxpk= 10, iat= 269, 284, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 GLU HB- 19 GLY HN 5.00 (# 1765:10 Unique 1.96, 3.31 A)
&rst
ixpk= 1765, nxpk= 10, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 273, 274,
&end
#
# 135 PHE HN 134 GLY HN 5.00 (# 1767:10 Unique 2.28, 3.13 A)
&rst
ixpk= 1767, nxpk= 10, iat=2092,2085, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 135 PHE HB- 134 GLY HN 6.00 (# 1770:10 Unique 5.02, 5.94 A)
&rst
ixpk= 1770, nxpk= 10, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2096,2097,
&end
#
# 17 PRO HA 19 GLY HN 6.00 (# 1775:10 Preassigned 3.34, 4.52 A)
&rst
ixpk= 1775, nxpk= 10, iat= 265, 284, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 GLU HA 19 GLY HN 4.00 (# 1776:10 Unique 2.12, 3.25 A)
&rst
ixpk= 1776, nxpk= 10, iat= 271, 284, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 GLY HA+ 19 GLY HN 4.00 (# 1777:10 Unique 2.26, 2.76 A)
&rst
ixpk= 1777, nxpk= 10, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 286, 287,
&end
#
# 19 GLY HA- 19 GLY HN 3.00 (# 1778:10 Unique 2.26, 2.76 A)
&rst
ixpk= 1778, nxpk= 10, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 286, 287,
&end
#
# 18 GLU HG+ 19 GLY HN 5.00 (# 1780:10 Unique 1.90, 4.48 A)
&rst
ixpk= 1780, nxpk= 10, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 276, 277,
&end
#
# 31 GLU HN 30 CYS HN 6.00 (# 1789:10 Unique 4.32, 4.37 A)
&rst
ixpk= 1789, nxpk= 10, iat= 489, 478, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1793 30 CYS HN 6.00 (# 1793:10 Single Ambig)
&rst
ixpk= 1793, nxpk= 10, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 146, 147, 590, 591, 587, 588, 425, 426, 422, 423,
&end
#
# 0 AMB 10-2:1794 30 CYS HN 6.00 (# 1794:10 Single Ambig)
&rst
ixpk= 1794, nxpk= 10, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 194, 195, 493, 494, 590, 591,
&end
#
# 39 LEU HG 30 CYS HN 6.00 (# 1796:10 Unique 4.90, 5.23 A)
&rst
ixpk= 1796, nxpk= 10, iat= 619, 478, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 GLU HN 34 SER HN 6.00 (# 1797:10 Unique 2.39, 3.16 A)
&rst
ixpk= 1797, nxpk= 10, iat= 515, 530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 SER HA 34 SER HN 6.00 (# 1799:10 Unique 2.73, 2.85 A)
&rst
ixpk= 1799, nxpk= 10, iat= 532, 530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 ASP HN 9 ILE HN 6.00 (# 1800:10 Unique 4.21, 4.40 A)
&rst
ixpk= 1800, nxpk= 10, iat= 111, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1803 28 LEU HN 6.00 (# 1803:10 Single Ambig)
&rst
ixpk= 1803, nxpk= 10, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 673, 674, 428, 429,
&end
#
# 9 ILE HA 57 ARG HN 6.00 (# 1811:10 Unique 4.47, 4.62 A)
&rst
ixpk= 1811, nxpk= 10, iat= 125, 909, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 ARG HB+ 57 ARG HN 5.00 (# 1812:10 Unique 2.44, 3.26 A)
&rst
ixpk= 1812, nxpk= 10, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 913, 914,
&end
#
# 56 PHE HA 10 PHE HN 6.00 (# 1818:10 Unique 4.61, 4.72 A)
&rst
ixpk= 1818, nxpk= 10, iat= 891, 142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PHE HA 10 PHE HN 6.00 (# 1819:10 Unique 2.84, 2.91 A)
&rst
ixpk= 1819, nxpk= 10, iat= 144, 142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1828 16 ASP HN 6.00 (# 1828:10 Single Ambig)
&rst
ixpk= 1828, nxpk= 10, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 259, 260, 425, 426, 446, 447,
&end
#
# 39 LEU HA 126 GLN HN 6.00 (# 1832:10 Unique 3.46, 3.65 A)
&rst
ixpk= 1832, nxpk= 10, iat= 614,1975, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 MET HA 126 GLN HN 6.00 (# 1833:10 Unique 3.76, 4.38 A)
&rst
ixpk= 1833, nxpk= 10, iat= 585,1975, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 LEU HA 58 LEU HN 6.00 (# 1844:10 Unique 2.93, 2.96 A)
&rst
ixpk= 1844, nxpk= 10, iat= 935, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 PHE HB- 35 PHE HN 6.00 (# 1865:10 Unique 2.47, 3.28 A)
&rst
ixpk= 1865, nxpk= 10, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 545, 546,
&end
#
# 92 MET HA 143 LEU HN 6.00 (# 1869:10 Unique 4.59, 4.91 A)
&rst
ixpk= 1869, nxpk= 10, iat=1448,2227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 MET HN 32 SER HN 5.00 (# 1872:10 Unique 2.10, 3.09 A)
&rst
ixpk= 1872, nxpk= 10, iat= 583, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1873 32 SER HN 6.00 (# 1873:10 Single Ambig)
&rst
ixpk= 1873, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 506, 585,
&end
#
# 32 SER HB- 32 SER HN 6.00 (# 1875:10 Unique 2.10, 3.21 A)
&rst
ixpk= 1875, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 508, 509,
&end
#
# 109 ALA HN 110 THR HN 6.00 (# 1877:10 Unique 2.69, 4.51 A)
&rst
ixpk= 1877, nxpk= 10, iat=1706,1716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 ARG HB+ 110 THR HN 6.00 (# 1878:10 Unique 3.54, 5.40 A)
&rst
ixpk= 1878, nxpk= 10, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1734,1735,
&end
#
# 30 CYS HN 29 HIS HN 6.00 (# 1883:10 Unique 4.36, 4.50 A)
&rst
ixpk= 1883, nxpk= 10, iat= 478, 461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 HIS HB- 29 HIS HN 6.00 (# 1885:10 Unique 2.44, 2.95 A)
&rst
ixpk= 1885, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 465, 466,
&end
#
# 0 AMB 10-2:1889 114 ALA HN 5.00 (# 1889:10 Single Ambig)
&rst
ixpk= 1889, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1773,1794,
&end
#
# 125 LEU HB+ 114 ALA HN 6.00 (# 1895:10 Unique 2.78, 4.91 A)
&rst
ixpk= 1895, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1960,1961,
&end
#
# 42 ASP HN 41 LEU HN 6.00 (# 1897:10 Unique 4.31, 4.37 A)
&rst
ixpk= 1897, nxpk= 10, iat= 669, 650, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1910 0 AMB 10-1:1910 5.00 (# 1910:10 Double Ambig)
&rst
ixpk= 1910, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1463,1999,
igr2=1484,2021,
&end
#
# 0 AMB 10-2:1925 39 LEU HN 6.00 (# 1925:10 Single Ambig)
&rst
ixpk= 1925, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 587, 588, 590, 591, 146, 147,
&end
#
# 39 LEU MDX 39 LEU HN 5.00 (# 1926:10 Unique 4.14, 5.38 A)
&rst
ixpk= 1926, nxpk= 10, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 621, 622, 623, 625, 626, 627,
&end
#
# 13 LYS HD+ 13 LYS HN 5.00 (# 1958:10 Unique 2.65, 3.46 A)
&rst
ixpk= 1958, nxpk= 10, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 200, 201,
&end
#
# 0 AMB 10-2:1979 123 MET HN 5.00 (# 1979:10 Single Ambig)
&rst
ixpk= 1979, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 652,1796,
&end
#
# 132 LEU MDX 125 LEU HN 6.00 (# 1991:10 Unique 3.73, 6.94 A)
&rst
ixpk= 1991, nxpk= 10, iat= -1,1956, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 129 ALA HA 130 ASN HN 6.00 (# 1994:10 Unique 3.53, 3.57 A)
&rst
ixpk= 1994, nxpk= 10, iat=2013,2021, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 GLY HA- 94 GLY HN 6.00 (# 1995:10 Unique 2.67, 2.82 A)
&rst
ixpk= 1995, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1486,1487,
&end
#
# 0 AMB 10-2:1996 130 ASN HN 6.00 (# 1996:10 Single Ambig)
&rst
ixpk= 1996, nxpk= 10, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1763,1764,1765,1767,1768,1769,1763,1764,1765,1767,
1768,1769,
&end
#
# 146 LYS HA 146 LYS HN 6.00 (# 2000:10 Unique 2.86, 2.90 A)
&rst
ixpk= 2000, nxpk= 10, iat=2284,2282, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2003 103 GLU HN 6.00 (# 2003:10 Single Ambig)
&rst
ixpk= 2003, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1706,1656,
&end
#
# 101 GLY HA- 103 GLU HN 5.00 (# 2005:10 Unique 5.28, 6.74 A)
&rst
ixpk= 2005, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1610,1611,
&end
#
# 0 AMB 10-2:2011 101 GLY HN 6.00 (# 2011:10 Single Ambig)
&rst
ixpk= 2011, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1597,1598,1631,1632,
&end
#
# 67 ASP HA 66 GLU HN 6.00 (# 2014:10 Unique 3.83, 4.65 A)
&rst
ixpk= 2014, nxpk= 10, iat=1079,1062, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 133 HIS HB+ 134 GLY HN 6.00 (# 2015:10 Unique 2.08, 4.06 A)
&rst
ixpk= 2015, nxpk= 10, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2072,2073,
&end
#
# 9 ILE HN 8 ASP HN 6.00 (# 2016:10 Unique 4.21, 4.40 A)
&rst
ixpk= 2016, nxpk= 10, iat= 123, 111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2018 0 AMB 10-1:2018 5.00 (# 2018:10 Double Ambig)
&rst
ixpk= 2018, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 273, 274, 103, 104,
igr2= 269, 111,
&end
#
# 7 GLU HG- 8 ASP HN 5.00 (# 2019:10 Unique 2.79, 3.25 A)
&rst
ixpk= 2019, nxpk= 10, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 103, 104,
&end
#
# 0 AMB 10-2:2021 26 SER HN 6.00 (# 2021:10 Single Ambig)
&rst
ixpk= 2021, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 369, 713,
&end
#
# 25 VAL HB 26 SER HN 5.00 (# 2024:10 Unique 4.18, 4.31 A)
&rst
ixpk= 2024, nxpk= 10, iat= 395, 407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LEU MDX 26 SER HN 5.00 (# 2025:10 Unique 3.32, 5.50 A)
&rst
ixpk= 2025, nxpk= 10, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 451, 452, 453, 455, 456, 457,
&end
#
# 98 ARG HE 115 TYR HN 6.00 (# 2026:10 Unique 2.53, 5.40 A)
&rst
ixpk= 2026, nxpk= 10, iat=1563,1794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 ALA MB 115 TYR HN 6.00 (# 2028:10 Unique 2.06, 3.21 A)
&rst
ixpk= 2028, nxpk= 10, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1788,1789,1790,
&end
#
# 128 ASP HB+ 112 LEU HN 6.00 (# 2034:10 Unique 5.21, 5.95 A)
&rst
ixpk= 2034, nxpk= 10, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2003,2004,
&end
#
# 37 MET HG- 37 MET HN 5.00 (# 2038:10 Unique 1.94, 3.54 A)
&rst
ixpk= 2038, nxpk= 10, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 590, 591,
&end
#
# 36 LYS HA 37 MET HN 6.00 (# 2042:10 Unique 2.39, 2.77 A)
&rst
ixpk= 2042, nxpk= 10, iat= 563, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 ASN HN 128 ASP HN 6.00 (# 2043:10 Unique 3.89, 4.41 A)
&rst
ixpk= 2043, nxpk= 10, iat=2035,1999, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 ASN HD2- 128 ASP HN 6.00 (# 2044:10 Unique 1.98, 3.10 A)
&rst
ixpk= 2044, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2044,2045,
&end
#
# 129 ALA MB 128 ASP HN 6.00 (# 2046:10 Unique 6.79, 7.16 A)
&rst
ixpk= 2046, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2015,2016,2017,
&end
#
# 104 THR HB 104 THR HN 6.00 (# 2048:10 Unique 2.30, 3.37 A)
&rst
ixpk= 2048, nxpk= 10, iat=1646,1642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 ASP HB+ 104 THR HN 6.00 (# 2049:10 Unique 2.80, 4.37 A)
&rst
ixpk= 2049, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1619,1620,
&end
#
# 0 AMB 10-2:2050 104 THR HN 6.00 (# 2050:10 Single Ambig)
&rst
ixpk= 2050, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1600,1601,1600,1601,1634,1635,
&end
#
# 103 GLU HB- 104 THR HN 6.00 (# 2051:10 Unique 2.92, 4.07 A)
&rst
ixpk= 2051, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1631,1632,
&end
#
# 147 LYS HN 148 LEU HN 6.00 (# 2053:10 Unique 4.52, 4.62 A)
&rst
ixpk= 2053, nxpk= 10, iat=2304,2326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 ARG HA 111 ARG HN 5.00 (# 2054:10 Unique 2.87, 2.97 A)
&rst
ixpk= 2054, nxpk= 10, iat=1732,1730, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 THR HB 111 ARG HN 5.00 (# 2055:10 Unique 2.36, 3.22 A)
&rst
ixpk= 2055, nxpk= 10, iat=1720,1730, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 ASP HN 33 GLU HN 6.00 (# 2056:10 Unique 3.58, 5.05 A)
&rst
ixpk= 2056, nxpk= 10, iat= 162, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 SER HB+ 33 GLU HN 6.00 (# 2057:10 Unique 2.39, 3.57 A)
&rst
ixpk= 2057, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 508, 509,
&end
#
# 0 AMB 10-2:2058 33 GLU HN 6.00 (# 2058:10 Single Ambig)
&rst
ixpk= 2058, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 568, 569, 127, 616, 617,
&end
#
# 9 ILE QG2 33 GLU HN 6.00 (# 2060:10 Unique 4.81, 6.54 A)
&rst
ixpk= 2060, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 129, 130, 131,
&end
#
# 24 ARG HE 23 ASP HN 6.00 (# 2061:10 Unique 2.89, 5.76 A)
&rst
ixpk= 2061, nxpk= 10, iat= 380, 355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2064 23 ASP HN 6.00 (# 2064:10 Single Ambig)
&rst
ixpk= 2064, nxpk= 10, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 374, 375, 323, 324, 317, 318,
&end
#
# 112 LEU HN 127 GLY HN 4.00 (# 2065:10 Unique 2.93, 3.21 A)
&rst
ixpk= 2065, nxpk= 10, iat=1754,1992, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 126 GLN HN 127 GLY HN 6.00 (# 2066:10 Unique 4.03, 4.20 A)
&rst
ixpk= 2066, nxpk= 10, iat=1975,1992, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 PHE HB- 24 ARG HN 6.00 (# 2070:10 Unique 2.72, 3.77 A)
&rst
ixpk= 2070, nxpk= 10, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 339, 340,
&end
#
# 0 AMB 10-2:2077 76 ASN HN 6.00 (# 2077:10 Single Ambig)
&rst
ixpk= 2077, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1238,1224,
&end
#
# 76 ASN HD2+ 76 ASN HN 6.00 (# 2080:10 Unique 2.53, 4.06 A)
&rst
ixpk= 2080, nxpk= 10, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1205,1206,
&end
#
# 0 AMB 10-2:2084 2 ALA HN 4.00 (# 2084:10 Single Ambig)
&rst
ixpk= 2084, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 6,1010,
&end
#
# 68 GLY HA- 70 LEU HN 6.00 (# 2085:10 Unique 2.90, 4.40 A)
&rst
ixpk= 2085, nxpk= 10, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1091,1092,
&end
#
# 69 THR HB 68 GLY HN 6.00 (# 2093:10 Unique 5.07, 6.02 A)
&rst
ixpk= 2093, nxpk= 10, iat=1100,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 GLU HG- 68 GLY HN 6.00 (# 2094:10 Unique 3.27, 4.96 A)
&rst
ixpk= 2094, nxpk= 10, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1069,1070,
&end
#
# 0 AMB 10-2:2097 0 AMB 10-1:2097 4.00 (# 2097:10 Double Ambig)
&rst
ixpk= 2097, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1254,1255,1242,1243,1619,1620,
igr2=1250,1615,
&end
#
# 81 ARG HG+ 80 ASP HN 5.00 (# 2098:10 Unique 2.08, 4.63 A)
&rst
ixpk= 2098, nxpk= 10, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1269,1270,
&end
#
# 45 ILE HG1- 46 GLN HN 5.00 (# 2099:10 Unique 3.28, 4.22 A)
&rst
ixpk= 2099, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 721, 722,
&end
#
# 29 HIS HN 14 ASP HN 5.00 (# 2101:10 Unique 2.59, 2.77 A)
&rst
ixpk= 2101, nxpk= 10, iat= 461, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2104 14 ASP HN 6.00 (# 2104:10 Single Ambig)
&rst
ixpk= 2104, nxpk= 10, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
igr1= 451, 452, 453, 455, 456, 457, 449, 621, 622, 623,
625, 626, 627,
&end
#
# 0 AMB 10-2:2109 11 ASP HN 6.00 (# 2109:10 Single Ambig)
&rst
ixpk= 2109, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 150, 158, 897, 905,
&end
#
# 31 GLU HG- 11 ASP HN 6.00 (# 2110:10 Unique 3.01, 5.02 A)
&rst
ixpk= 2110, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 496, 497,
&end
#
# 71 ASP HA 71 ASP HN 3.00 (# 2114:10 Unique 2.19, 2.34 A)
&rst
ixpk= 2114, nxpk= 10, iat=1131,1129, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:2122 106 THR HN 6.00 (# 2122:10 Single Ambig)
&rst
ixpk= 2122, nxpk= 10, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1688,1689,1600,1601,1634,1635,
&end
#
# 0 AMB 10-2:2123 0 AMB 10-1:2123 3.00 (# 2123:10 Double Ambig)
&rst
ixpk= 2123, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 293,1162,
igr2= 313,1175,
&end
#
# 21 LYS HE- 21 LYS HN 6.00 (# 2124:10 Unique 4.32, 5.19 A)
&rst
ixpk= 2124, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 326, 327,
&end
#
# 74 GLU HB- 75 TYR HN 5.00 (# 2129:10 Unique 2.21, 3.88 A)
&rst
ixpk= 2129, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1164,1165,
&end
#
# 142 TYR HN 141 VAL HN 6.00 (# 2139:10 Unique 2.03, 2.50 A)
&rst
ixpk= 2139, nxpk= 10, iat=2206,2190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 140 ARG HN 141 VAL HN 6.00 (# 2141:10 Unique 3.01, 3.90 A)
&rst
ixpk= 2141, nxpk= 10, iat=2166,2190, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2149 54 ASP HN 5.00 (# 2149:10 Single Ambig)
&rst
ixpk= 2149, nxpk= 10, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 850, 851, 850, 851,
&end
#
# 95 LYS HB- 95 LYS HN 4.00 (# 2152:10 Unique 2.66, 3.48 A)
&rst
ixpk= 2152, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1495,1496,
&end
#
# 95 LYS HG+ 95 LYS HN 6.00 (# 2153:10 Unique 2.46, 3.95 A)
&rst
ixpk= 2153, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1498,1499,
&end
#
# 116 VAL MGY 95 LYS HN 6.00 (# 2154:10 Unique 2.70, 5.45 A)
&rst
ixpk= 2154, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1821,1822,1823,1825,1826,1827,
&end
#
# 20 LYS HA 22 PHE HN 5.00 (# 2156:10 Unique 3.46, 3.93 A)
&rst
ixpk= 2156, nxpk= 10, iat= 293, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 ASP HB+ 22 PHE HN 6.00 (# 2157:10 Unique 4.70, 5.69 A)
&rst
ixpk= 2157, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 359, 360,
&end
#
# 20 LYS HG+ 22 PHE HN 6.00 (# 2158:10 Unique 1.85, 3.35 A)
&rst
ixpk= 2158, nxpk= 10, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 298, 299,
&end
#
# 20 LYS HD+ 20 LYS HN 5.00 (# 2162:10 Unique 1.89, 4.69 A)
&rst
ixpk= 2162, nxpk= 10, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 301, 302,
&end
#
# 20 LYS HB- 20 LYS HN 4.00 (# 2163:10 Unique 2.02, 2.60 A)
&rst
ixpk= 2163, nxpk= 10, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 295, 296,
&end
#
# 48 TYR HD 48 TYR HN 6.00 (# 2171:10 Unique 1.97, 3.69 A)
&rst
ixpk= 2171, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 774, 783,
&end
#
# 20 LYS HN 19 GLY HN 3.00 (# 2174:10 Unique 1.76, 1.99 A)
&rst
ixpk= 2174, nxpk= 10, iat= 291, 284, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 LYS HB+ 19 GLY HN 6.00 (# 2175:10 Unique 2.23, 3.91 A)
&rst
ixpk= 2175, nxpk= 10, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 295, 296,
&end
#
# 0 AMB 10-2:2177 45 ILE HN 6.00 (# 2177:10 Single Ambig)
&rst
ixpk= 2177, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 747, 380,
&end
#
# 25 VAL HA 45 ILE HN 5.00 (# 2178:10 Unique 2.33, 2.67 A)
&rst
ixpk= 2178, nxpk= 10, iat= 393, 711, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 ARG HB+ 81 ARG HN 3.00 (# 2188:10 Unique 2.02, 3.24 A)
&rst
ixpk= 2188, nxpk= 10, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1266,1267,
&end
#
# 78 THR MG2 81 ARG HN 6.00 (# 2189:10 Unique 4.35, 6.06 A)
&rst
ixpk= 2189, nxpk= 10, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1230,1231,1232,
&end
#
# 80 ASP HN 79 ASP HN 4.00 (# 2196:10 Unique 2.06, 2.86 A)
&rst
ixpk= 2196, nxpk= 10, iat=1250,1238, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 ASP HA 79 ASP HN 3.00 (# 2199:10 Unique 2.18, 2.73 A)
&rst
ixpk= 2199, nxpk= 10, iat=1240,1238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 79 ASP HB+ 79 ASP HN 4.00 (# 2200:10 Unique 2.37, 2.67 A)
&rst
ixpk= 2200, nxpk= 10, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1242,1243,
&end
#
# 0 AMB 10-2:2201 69 THR HN 6.00 (# 2201:10 Single Ambig)
&rst
ixpk= 2201, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1117,1114,1115,
&end
#
# 68 GLY HA+ 69 THR HN 4.00 (# 2202:10 Unique 2.08, 2.85 A)
&rst
ixpk= 2202, nxpk= 10, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1091,1092,
&end
#
# 130 ASN HN 130 ASN HD2+ 5.00 (# 2209:10 Unique 2.25, 4.68 A)
&rst
ixpk= 2209, nxpk= 10, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2030,2031,
&end
#
# 130 ASN HA 130 ASN HD2+ 6.00 (# 2211:10 Unique 2.53, 4.16 A)
&rst
ixpk= 2211, nxpk= 10, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2030,2031,
&end
#
# 131 ASN HA 130 ASN HD2+ 6.00 (# 2212:10 Unique 2.85, 4.46 A)
&rst
ixpk= 2212, nxpk= 10, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2030,2031,
&end
#
# 0 AMB 10-2:2213 0 AMB 10-1:2213 3.00 (# 2213:10 Double Ambig)
&rst
ixpk= 2213, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2025,2026,2003,2004,2039,2040,
igr2=2030,2031,2030,2031,2030,2031,
&end
#
# 129 ALA MB 130 ASN HD2+ 6.00 (# 2214:10 Unique 5.04, 7.88 A)
&rst
ixpk= 2214, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2015,2016,2017,
igr2=2030,2031,
&end
#
# 0 AMB 10-2:2215 130 ASN HD2- 6.00 (# 2215:10 Single Ambig)
&rst
ixpk= 2215, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2015,2016,2017,2053,2054,
igr2=2030,2031,
&end
#
# 87 GLN HA 86 ASP HN 6.00 (# 2226:10 Unique 4.34, 5.22 A)
&rst
ixpk= 2226, nxpk= 10, iat=1359,1345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 87 GLN HG+ 86 ASP HN 6.00 (# 2227:10 Unique 3.70, 5.20 A)
&rst
ixpk= 2227, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1364,1365,
&end
#
# 47 ILE HG1- 44 ASN HD2+ 6.00 (# 2230:10 Unique 2.22, 4.19 A)
&rst
ixpk= 2230, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 757, 758,
igr2= 706, 707,
&end
#
# 25 VAL MGX 44 ASN HD2- 6.00 (# 2232:10 Unique 3.05, 6.40 A)
&rst
ixpk= 2232, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 397, 398, 399, 401, 402, 403,
igr2= 706, 707,
&end
#
# 149 ALA HN 150 PHE HN 4.00 (# 2233:10 Unique 2.29, 3.47 A)
&rst
ixpk= 2233, nxpk= 10, iat=2345,2355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:2236 150 PHE HN 6.00 (# 2236:10 Single Ambig)
&rst
ixpk= 2236, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2311,2312,2292,2293,2314,2315,
&end
#
# 0 AMB 10-2:2239 0 AMB 10-1:2239 6.00 (# 2239:10 Double Ambig)
&rst
ixpk= 2239, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1196,1153,
igr2=1205,1206,1205,1206,
&end
#
# 0 AMB 10-2:2243 0 AMB 10-1:2243 6.00 (# 2243:10 Double Ambig)
&rst
ixpk= 2243, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1240,1177,
igr2=1205,1206,1205,1206,
&end
#
# 74 GLU HB+ 76 ASN HD2+ 6.00 (# 2244:10 Unique 2.97, 5.80 A)
&rst
ixpk= 2244, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1164,1165,
igr2=1205,1206,
&end
#
# 0 AMB 10-2:2245 0 AMB 10-1:2245 6.00 (# 2245:10 Double Ambig)
&rst
ixpk= 2245, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1979,1980,1164,1165,1164,1165,
igr2=1987,1988,1205,1206,
&end
#
# 135 PHE HD 135 PHE HN 3.00 (# 2251:10 Unique 2.43, 3.70 A)
&rst
ixpk= 2251, nxpk= 10, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2100,2108,
&end
#
# 136 GLU HG+ 135 PHE HN 6.00 (# 2254:10 Unique 4.44, 6.09 A)
&rst
ixpk= 2254, nxpk= 10, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2119,2120,
&end
#
# 132 LEU MDY 135 PHE HN 6.00 (# 2256:10 Unique 4.55, 7.41 A)
&rst
ixpk= 2256, nxpk= 10, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 85 ALA HA 87 GLN HN 6.00 (# 2260:10 Unique 3.27, 3.70 A)
&rst
ixpk= 2260, nxpk= 10, iat=1337,1357, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 PHE HB+ 87 GLN HN 6.00 (# 2261:10 Unique 4.53, 5.77 A)
&rst
ixpk= 2261, nxpk= 10, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1378,1379,
&end
#
# 24 ARG HB+ 46 GLN HE2- 6.00 (# 2269:10 Unique 3.16, 5.82 A)
&rst
ixpk= 2269, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 371, 372,
igr2= 742, 743,
&end
#
# 0 AMB 10-2:2271 46 GLN HE2- 6.00 (# 2271:10 Single Ambig)
&rst
ixpk= 2271, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 397, 398, 399, 401, 402, 403, 724, 725, 726,
igr2= 742, 743,
&end
#
# 6 PHE HD 7 GLU HN 4.00 (# 2278:10 Unique 3.08, 4.04 A)
&rst
ixpk= 2278, nxpk= 10, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 84, 92,
&end
#
# 7 GLU HG+ 7 GLU HN 6.00 (# 2283:10 Unique 4.15, 4.57 A)
&rst
ixpk= 2283, nxpk= 10, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 103, 104,
&end
#
# 24 ARG HG- 25 VAL HN 6.00 (# 2286:10 Unique 4.31, 5.16 A)
&rst
ixpk= 2286, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 374, 375,
&end
#
# 22 PHE HB+ 25 VAL HN 6.00 (# 2288:10 Unique 3.03, 4.07 A)
&rst
ixpk= 2288, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 339, 340,
&end
#
# 22 PHE HB- 25 VAL HN 6.00 (# 2289:10 Unique 3.03, 4.07 A)
&rst
ixpk= 2289, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 339, 340,
&end
#
# 26 SER HN 25 VAL HN 6.00 (# 2295:10 Unique 3.48, 3.71 A)
&rst
ixpk= 2295, nxpk= 10, iat= 407, 391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 133 HIS HN 132 LEU HN 4.00 (# 2309:10 Unique 1.79, 2.57 A)
&rst
ixpk= 2309, nxpk= 10, iat=2068,2049, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:2310 132 LEU HN 6.00 (# 2310:10 Single Ambig)
&rst
ixpk= 2310, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2030,2031,2100,2108,
&end
#
# 0 AMB 10-2:2311 132 LEU HN 6.00 (# 2311:10 Single Ambig)
&rst
ixpk= 2311, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2070,2001,
&end
#
# 0 AMB 10-2:2312 0 AMB 10-1:2312 5.00 (# 2312:10 Double Ambig)
&rst
ixpk= 2312, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 549, 557, 86, 90,
igr2=2044,2045,2044,2045,
&end
#
# 0 AMB 10-2:2317 0 AMB 10-1:2317 5.00 (# 2317:10 Double Ambig)
&rst
ixpk= 2317, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 545, 546,2003,2004,
igr2=2044,2045,2044,2045,
&end
#
# 115 TYR HN 98 ARG HN 6.00 (# 2319:10 Unique 2.95, 4.75 A)
&rst
ixpk= 2319, nxpk= 10, iat=1794,1550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 TYR HB+ 98 ARG HN 6.00 (# 2323:10 Unique 3.34, 6.01 A)
&rst
ixpk= 2323, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1798,1799,
&end
#
# 115 TYR HB- 98 ARG HN 6.00 (# 2324:10 Unique 3.34, 6.01 A)
&rst
ixpk= 2324, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1798,1799,
&end
#
# 45 ILE HN 47 ILE HN 5.00 (# 2335:10 Unique 4.00, 4.41 A)
&rst
ixpk= 2335, nxpk= 10, iat= 711, 747, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2357 0 AMB 10-1:2357 6.00 (# 2357:10 Double Ambig)
&rst
ixpk= 2357, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1994,1995,2051,
igr2=2035,2155,
&end
#
# 138 ASP HB+ 139 SER HN 6.00 (# 2359:10 Unique 2.55, 3.88 A)
&rst
ixpk= 2359, nxpk= 10, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2147,2148,
&end
#
# 138 ASP HB- 139 SER HN 6.00 (# 2360:10 Unique 2.55, 3.88 A)
&rst
ixpk= 2360, nxpk= 10, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2147,2148,
&end
#
# 44 ASN HA 46 GLN HN 6.00 (# 2366:10 Unique 3.50, 3.76 A)
&rst
ixpk= 2366, nxpk= 10, iat= 699, 730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 ARG HG+ 80 ASP HN 5.00 (# 2367:10 Unique 2.08, 4.63 A)
&rst
ixpk= 2367, nxpk= 10, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1269,1270,
&end
#
# 0 AMB 10-2:2368 112 LEU HN 5.00 (# 2368:10 Single Ambig)
&rst
ixpk= 2368, nxpk= 10, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=2053,2054,2015,2016,2017,
&end
#
# 122 LEU MDX 122 LEU HN 4.00 (# 2378:10 Unique 2.68, 5.09 A)
&rst
ixpk= 2378, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1905,1906,1907,1909,1910,1911,
&end
#
# 116 VAL HB 123 MET HN 6.00 (# 2379:10 Unique 3.15, 4.16 A)
&rst
ixpk= 2379, nxpk= 10, iat=1819,1915, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 SER HN 31 GLU HN 6.00 (# 2380:10 Unique 4.04, 4.28 A)
&rst
ixpk= 2380, nxpk= 10, iat= 504, 489, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 GLU HA 31 GLU HN 5.00 (# 2381:10 Unique 2.95, 2.97 A)
&rst
ixpk= 2381, nxpk= 10, iat= 491, 489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 CYS HB+ 31 GLU HN 6.00 (# 2382:10 Unique 2.33, 2.91 A)
&rst
ixpk= 2382, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 482, 483,
&end
#
# 0 AMB 10-2:2383 0 AMB 10-1:2383 5.00 (# 2383:10 Double Ambig)
&rst
ixpk= 2383, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 493, 494,1164,1165,
igr2= 489,1160,
&end
#
# 0 AMB 10-2:2384 31 GLU HN 5.00 (# 2384:10 Single Ambig)
&rst
ixpk= 2384, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 493, 494, 146, 147,
&end
#
# 136 GLU HB- 137 VAL HN 5.00 (# 2386:10 Unique 2.06, 3.54 A)
&rst
ixpk= 2386, nxpk= 10, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2116,2117,
&end
#
# 2 ALA MB 2 ALA HN 4.00 (# 2389:10 Unique 2.39, 3.04 A)
&rst
ixpk= 2389, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 25, 26, 27,
&end
#
# 0 AMB 10-2:2391 70 LEU HN 5.00 (# 2391:10 Single Ambig)
&rst
ixpk= 2391, nxpk= 10, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1106,1014,1015,1016,
&end
#
# 70 LEU MDY 70 LEU HN 6.00 (# 2393:10 Unique 2.17, 4.48 A)
&rst
ixpk= 2393, nxpk= 10, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1119,1120,1121,1123,1124,1125,
&end
#
# 15 ILE HB 16 ASP HN 6.00 (# 2405:10 Unique 3.93, 4.11 A)
&rst
ixpk= 2405, nxpk= 10, iat= 228, 243, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2406 16 ASP HN 4.00 (# 2406:10 Single Ambig)
&rst
ixpk= 2406, nxpk= 10, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 451, 452, 453, 455, 456, 457, 644, 645, 646,
&end
#
# 0 AMB 10-2:2416 0 AMB 10-1:2416 6.00 (# 2416:10 Double Ambig)
&rst
ixpk= 2416, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 291,1491,
igr2= 269,1831,
&end
#
# 21 LYS HN 19 GLY HN 5.00 (# 2417:10 Unique 4.44, 5.13 A)
&rst
ixpk= 2417, nxpk= 10, iat= 313, 284, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 LYS HA 21 LYS HN 3.00 (# 2418:10 Unique 2.22, 2.75 A)
&rst
ixpk= 2418, nxpk= 10, iat= 315, 313, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 VAL HN 26 SER HN 6.00 (# 2419:10 Unique 3.48, 3.71 A)
&rst
ixpk= 2419, nxpk= 10, iat= 391, 407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 LEU HB+ 40 ILE HN 6.00 (# 2420:10 Unique 2.89, 3.87 A)
&rst
ixpk= 2420, nxpk= 10, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 616, 617,
&end
#
# 24 ARG HG+ 24 ARG HE 6.00 (# 2423:10 Unique 2.37, 3.04 A)
&rst
ixpk= 2423, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 374, 375,
&end
#
# 24 ARG HG- 24 ARG HE 6.00 (# 2424:10 Unique 2.37, 3.04 A)
&rst
ixpk= 2424, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 374, 375,
&end
#
# 128 ASP HB+ 130 ASN HN 5.00 (# 2427:10 Unique 3.23, 4.17 A)
&rst
ixpk= 2427, nxpk= 10, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2003,2004,
&end
#
# 116 VAL MGX 96 VAL HN 6.00 (# 2428:10 Unique 3.47, 5.52 A)
&rst
ixpk= 2428, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1821,1822,1823,1825,1826,1827,
&end
#
# 0 AMB 10-2:2429 98 ARG HN 5.00 (# 2429:10 Single Ambig)
&rst
ixpk= 2429, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1537,1546,1802,1811,
&end
#
# 100 GLU HN 99 ILE HN 6.00 (# 2430:10 Unique 4.14, 4.44 A)
&rst
ixpk= 2430, nxpk= 10, iat=1593,1574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2431 99 ILE HN 6.00 (# 2431:10 Single Ambig)
&rst
ixpk= 2431, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1608,1529,
&end
#
# 100 GLU HA 99 ILE HN 6.00 (# 2432:10 Unique 5.22, 5.82 A)
&rst
ixpk= 2432, nxpk= 10, iat=1595,1574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2433 99 ILE HN 6.00 (# 2433:10 Single Ambig)
&rst
ixpk= 2433, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1798,1799,1634,1635,1600,1601,
&end
#
# 98 ARG HB+ 98 ARG HN 6.00 (# 2434:10 Unique 2.17, 3.19 A)
&rst
ixpk= 2434, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1554,1555,
&end
#
# 100 GLU HB+ 100 GLU HN 6.00 (# 2435:10 Unique 2.29, 2.98 A)
&rst
ixpk= 2435, nxpk= 10, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1597,1598,
&end
#
# 102 ASP HN 101 GLY HN 6.00 (# 2437:10 Unique 1.81, 2.16 A)
&rst
ixpk= 2437, nxpk= 10, iat=1615,1608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2438 0 AMB 10-1:2438 6.00 (# 2438:10 Double Ambig)
&rst
ixpk= 2438, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1300,1574,
igr2=1250,1615,
&end
#
# 101 GLY HA- 102 ASP HN 4.00 (# 2440:10 Unique 2.16, 3.27 A)
&rst
ixpk= 2440, nxpk= 10, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1610,1611,
&end
#
# 102 ASP HN 104 THR HN 6.00 (# 2441:10 Unique 2.04, 4.27 A)
&rst
ixpk= 2441, nxpk= 10, iat=1615,1642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 THR HA 103 GLU HN 6.00 (# 2442:10 Unique 4.12, 5.05 A)
&rst
ixpk= 2442, nxpk= 10, iat=1644,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 ALA MB 104 THR HN 6.00 (# 2444:10 Unique 2.40, 4.58 A)
&rst
ixpk= 2444, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1710,1711,1712,
&end
#
# 108 ALA HN 105 SER HN 4.00 (# 2445:10 Unique 2.68, 4.45 A)
&rst
ixpk= 2445, nxpk= 10, iat=1696,1656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 ALA HN 106 THR HN 3.00 (# 2446:10 Unique 2.60, 3.90 A)
&rst
ixpk= 2446, nxpk= 10, iat=1696,1667, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 ALA HN 107 GLU HN 4.00 (# 2447:10 Unique 1.70, 2.52 A)
&rst
ixpk= 2447, nxpk= 10, iat=1696,1681, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:2449 107 GLU HN 6.00 (# 2449:10 Single Ambig)
&rst
ixpk= 2449, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1658,1644,
&end
#
# 0 AMB 10-2:2452 109 ALA HN 6.00 (# 2452:10 Single Ambig)
&rst
ixpk= 2452, nxpk= 10, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1688,1689,1634,1635,
&end
#
# 104 THR MG2 109 ALA HN 6.00 (# 2453:10 Unique 1.96, 3.80 A)
&rst
ixpk= 2453, nxpk= 10, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
&end
#
# 104 THR HN 109 ALA HN 6.00 (# 2454:10 Unique 2.95, 4.05 A)
&rst
ixpk= 2454, nxpk= 10, iat=1642,1706, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2455 109 ALA HN 4.00 (# 2455:10 Single Ambig)
&rst
ixpk= 2455, nxpk= 10, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1708,1629,1683,
&end
#
# 110 THR HB 110 THR HN 4.00 (# 2458:10 Unique 2.47, 3.13 A)
&rst
ixpk= 2458, nxpk= 10, iat=1720,1716, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:2459 111 ARG HN 4.00 (# 2459:10 Single Ambig)
&rst
ixpk= 2459, nxpk= 10, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1710,1711,1712,1737,1738,
&end
#
# 138 ASP HA 140 ARG HN 5.00 (# 2461:10 Preassigned 3.58, 4.34 A)
&rst
ixpk= 2461, nxpk= 10, iat=2145,2166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2462 112 LEU HN 4.00 (# 2462:10 Single Ambig)
&rst
ixpk= 2462, nxpk= 10, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1992,2011,
&end
#
# 113 SER HA 113 SER HN 5.00 (# 2466:10 Unique 2.87, 2.94 A)
&rst
ixpk= 2466, nxpk= 10, iat=1775,1773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 SER HB+ 113 SER HN 6.00 (# 2467:10 Unique 2.87, 3.52 A)
&rst
ixpk= 2467, nxpk= 10, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1777,1778,
&end
#
# 112 LEU HG 113 SER HN 6.00 (# 2468:10 Unique 2.35, 3.78 A)
&rst
ixpk= 2468, nxpk= 10, iat=1761,1773, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 ARG HA 124 ARG HN 6.00 (# 2469:10 Unique 2.95, 2.97 A)
&rst
ixpk= 2469, nxpk= 10, iat=1934,1932, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2470 124 ARG HN 6.00 (# 2470:10 Single Ambig)
&rst
ixpk= 2470, nxpk= 10, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 652,1796,1958,
&end
#
# 0 AMB 10-2:2472 127 GLY HN 6.00 (# 2472:10 Single Ambig)
&rst
ixpk= 2472, nxpk= 10, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1784,1956,
&end
#
# 48 TYR HN 46 GLN HN 4.00 (# 2473:10 Preassigned 4.01, 4.23 A)
&rst
ixpk= 2473, nxpk= 10, iat= 766, 730, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:2475 130 ASN HN 6.00 (# 2475:10 Single Ambig)
&rst
ixpk= 2475, nxpk= 10, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2037,1732,
&end
#
# 132 LEU MDY 128 ASP HN 6.00 (# 2476:10 Unique 5.58, 9.22 A)
&rst
ixpk= 2476, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 132 LEU MDY 129 ALA HN 6.00 (# 2477:10 Unique 5.69, 8.72 A)
&rst
ixpk= 2477, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2058,2059,2060,2062,2063,2064,
&end
#
# 112 LEU HN 129 ALA HN 4.00 (# 2479:10 Unique 3.71, 4.02 A)
&rst
ixpk= 2479, nxpk= 10, iat=1754,2011, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 131 ASN HB- 130 ASN HN 6.00 (# 2481:10 Unique 4.59, 5.64 A)
&rst
ixpk= 2481, nxpk= 10, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2039,2040,
&end
#
# 132 LEU HN 130 ASN HN 6.00 (# 2482:10 Preassigned 3.95, 4.41 A)
&rst
ixpk= 2482, nxpk= 10, iat=2049,2021, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:2483 132 LEU HN 6.00 (# 2483:10 Single Ambig)
&rst
ixpk= 2483, nxpk= 10, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1999,2011,
&end
#
# 132 LEU MDY 0 AMB 10-1:2485 6.00 (# 2485:10 Single Ambig)
&rst
ixpk= 2485, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2058,2059,2060,2062,2063,2064,
igr2=2155,2035,
&end
#
# 133 HIS HN 131 ASN HN 4.00 (# 2488:10 Preassigned 3.34, 4.22 A)
&rst
ixpk= 2488, nxpk= 10, iat=2068,2035, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 133 HIS HN 134 GLY HN 6.00 (# 2489:10 Unique 2.65, 3.43 A)
&rst
ixpk= 2489, nxpk= 10, iat=2068,2085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 PHE HN 133 HIS HN 6.00 (# 2490:10 Preassigned 4.65, 5.68 A)
&rst
ixpk= 2490, nxpk= 10, iat=2092,2068, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 PHE HD 134 GLY HN 6.00 (# 2491:10 Unique 4.25, 5.81 A)
&rst
ixpk= 2491, nxpk= 10, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2100,2108,
&end
#
# 0 AMB 10-2:2492 136 GLU HN 6.00 (# 2492:10 Single Ambig)
&rst
ixpk= 2492, nxpk= 10, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2127,2143,
&end
#
# 136 GLU HB- 136 GLU HN 5.00 (# 2494:10 Unique 2.40, 3.33 A)
&rst
ixpk= 2494, nxpk= 10, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2116,2117,
&end
#
# 136 GLU HN 137 VAL HN 6.00 (# 2495:10 Unique 2.29, 3.76 A)
&rst
ixpk= 2495, nxpk= 10, iat=2112,2127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 138 ASP HN 137 VAL HN 4.00 (# 2497:10 Preassigned 2.17, 3.11 A)
&rst
ixpk= 2497, nxpk= 10, iat=2143,2127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 141 VAL HN 140 ARG HN 6.00 (# 2498:10 Preassigned 3.01, 3.90 A)
&rst
ixpk= 2498, nxpk= 10, iat=2190,2166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 144 LEU HA 144 LEU HN 5.00 (# 2499:10 Preassigned 2.95, 3.00 A)
&rst
ixpk= 2499, nxpk= 10, iat=2248,2246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
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