NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
611041 |
2n9x   |
25919 | cing | 1-original | 5 | AMBER | distance | NOE | simple |
#
# 129 TYR HA 130 GLU HN 6.00 (# 1:9 Unique 2.17, 2.41 A)
&rst
ixpk= 1, nxpk= 9, iat=2122,2141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 GLU HA 125 ASP HN 6.00 (# 2:9 Unique 4.88, 5.36 A)
&rst
ixpk= 2, nxpk= 9, iat=2049,2073, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 130 GLU HB- 130 GLU HG+ 4.50 (# 3:9 Unique 2.21, 2.65 A)
&rst
ixpk= 3, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2145,2146,
igr2=2148,2149,
&end
#
# 130 GLU HG+ 130 GLU HB- 6.00 (# 4:9 Unique 2.21, 2.65 A)
&rst
ixpk= 4, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2148,2149,
igr2=2145,2146,
&end
#
# 130 GLU HB+ 130 GLU HG+ 2.60 (# 5:9 Unique 2.21, 2.65 A)
&rst
ixpk= 5, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=2145,2146,
igr2=2148,2149,
&end
#
# 130 GLU HA 130 GLU HG+ 6.00 (# 6:9 Unique 2.19, 2.95 A)
&rst
ixpk= 6, nxpk= 9, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2148,2149,
&end
#
# 137 TYR HA 137 TYR HB+ 4.50 (# 8:9 Unique 2.33, 2.43 A)
&rst
ixpk= 8, nxpk= 9, iat=2253, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2255,2256,
&end
#
# 137 TYR HA 137 TYR HB- 4.50 (# 9:9 Unique 2.33, 2.43 A)
&rst
ixpk= 9, nxpk= 9, iat=2253, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2255,2256,
&end
#
# 137 TYR HD 137 TYR HB+ 4.50 (# 10:9 Unique 2.33, 3.06 A)
&rst
ixpk= 10, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2259,2268,
igr2=2255,2256,
&end
#
# 137 TYR HD 137 TYR HB- 4.50 (# 11:9 Unique 2.33, 3.06 A)
&rst
ixpk= 11, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2259,2268,
igr2=2255,2256,
&end
#
# 127 ASP HA 127 ASP HN 6.00 (# 12:9 Unique 2.29, 2.30 A)
&rst
ixpk= 12, nxpk= 9, iat=2099,2097, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 9-2:13 126 ASP HN 6.00 (# 13:9 Single Ambig)
&rst
ixpk= 13, nxpk= 9, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2089,2090,2101,2102,
&end
#
# 126 ASP HN 0 AMB 9-1:18 8.00 (# 18:9 Single Ambig)
&rst
ixpk= 18, nxpk= 9, iat=2085, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=2089,2090,2101,2102,
&end
#
# 129 TYR HB- 125 ASP HB- 6.00 (# 20:9 Unique 3.91, 5.15 A)
&rst
ixpk= 20, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2124,2125,
igr2=2077,2078,
&end
#
# 125 ASP HA 125 ASP HB- 4.50 (# 21:9 Unique 2.28, 2.45 A)
&rst
ixpk= 21, nxpk= 9, iat=2075, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2077,2078,
&end
#
# 129 TYR HB- 129 TYR HD 4.50 (# 22:9 Unique 2.32, 3.07 A)
&rst
ixpk= 22, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2124,2125,
igr2=2128,2137,
&end
#
# 129 TYR HA 129 TYR HD 4.50 (# 23:9 Unique 3.49, 4.18 A)
&rst
ixpk= 23, nxpk= 9, iat=2122, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2128,2137,
&end
#
# 129 TYR HE 129 TYR HD 2.60 (# 24:9 Unique 2.46, 3.69 A)
&rst
ixpk= 24, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=2130,2135,
igr2=2128,2137,
&end
#
# 129 TYR HD 129 TYR HE 2.60 (# 25:9 Unique 2.46, 3.69 A)
&rst
ixpk= 25, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=2128,2137,
igr2=2130,2135,
&end
#
# 125 ASP HB- 129 TYR HB- 4.50 (# 26:9 Unique 3.91, 5.15 A)
&rst
ixpk= 26, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2077,2078,
igr2=2124,2125,
&end
#
# 129 TYR HA 129 TYR HB+ 6.00 (# 28:9 Unique 2.34, 2.43 A)
&rst
ixpk= 28, nxpk= 9, iat=2122, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2124,2125,
&end
#
# 129 TYR HA 129 TYR HB- 4.50 (# 29:9 Unique 2.34, 2.43 A)
&rst
ixpk= 29, nxpk= 9, iat=2122, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2124,2125,
&end
#
# 129 TYR HD 129 TYR HB+ 4.50 (# 30:9 Unique 2.32, 3.07 A)
&rst
ixpk= 30, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2128,2137,
igr2=2124,2125,
&end
#
# 129 TYR HD 129 TYR HB- 4.50 (# 31:9 Unique 2.32, 3.07 A)
&rst
ixpk= 31, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2128,2137,
igr2=2124,2125,
&end
#
# 130 GLU HA 0 AMB 9-1:32 8.00 (# 32:9 Single Ambig)
&rst
ixpk= 32, nxpk= 9, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=2026,2047,
&end
#
# 0 AMB 9-2:34 0 AMB 9-1:34 3.50 (# 34:9 Double Ambig)
&rst
ixpk= 34, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2158,2174,
igr2=2162,2163,2164,2166,2167,2168,2181,2182,2183,2185,
2186,2187,
&end
#
# 0 AMB 9-2:35 0 AMB 9-1:35 4.50 (# 35:9 Double Ambig)
&rst
ixpk= 35, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
igr2=2073,2141,
&end
#
# 0 AMB 9-2:36 130 GLU HN 8.00 (# 36:9 Single Ambig)
&rst
ixpk= 36, nxpk= 9, iat= -1,2141, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=2210,2176,2177,
&end
#
# 131 VAL HA 125 ASP HN 6.00 (# 37:9 Unique 4.43, 5.17 A)
&rst
ixpk= 37, nxpk= 9, iat=2158,2073, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 9-2:38 131 VAL HN 4.50 (# 38:9 Single Ambig)
&rst
ixpk= 38, nxpk= 9, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
&end
#
# 123 GLU HA 131 VAL HN 6.00 (# 39:9 Unique 2.40, 4.19 A)
&rst
ixpk= 39, nxpk= 9, iat=2049,2156, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 9-2:40 0 AMB 9-1:40 2.60 (# 40:9 Double Ambig)
&rst
ixpk= 40, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
igr2=2054,2055,2054,2055,2160,
&end
#
# 123 GLU HA 123 GLU HG+ 4.50 (# 42:9 Unique 2.25, 3.10 A)
&rst
ixpk= 42, nxpk= 9, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2054,2055,
&end
#
# 131 VAL HN 131 VAL HB 4.50 (# 43:9 Unique 2.82, 3.24 A)
&rst
ixpk= 43, nxpk= 9, iat=2156,2160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 9-2:44 0 AMB 9-1:44 2.60 (# 44:9 Double Ambig)
&rst
ixpk= 44, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2054,2055,2054,2055,2160,
igr2=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
&end
#
# 0 AMB 9-2:45 0 AMB 9-1:45 6.00 (# 45:9 Double Ambig)
&rst
ixpk= 45, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2051,2052,2195,2196,
igr2=2062,2191,
&end
#
# 0 AMB 9-2:46 0 AMB 9-1:46 8.00 (# 46:9 Double Ambig)
&rst
ixpk= 46, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=2195,2196,2195,2196,
igr2=2191,2222,
&end
#
# 123 GLU HA 133 ASP HN 3.50 (# 47:9 Unique 4.10, 4.47 A)
&rst
ixpk= 47, nxpk= 9, iat=2049,2191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 LEU MDX 0 AMB 9-1:50 3.50 (# 50:9 Single Ambig)
&rst
ixpk= 50, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2212,2213,2214,2216,2217,2218,
igr2=2176,2177,2210,
&end
#
# 135 THR MG2 136 GLU HN 8.00 (# 51:9 Unique 2.36, 4.45 A)
&rst
ixpk= 51, nxpk= 9, iat= -1,2236, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=2228,2229,2230,
&end
#
# 0 AMB 9-2:52 136 GLU HN 6.00 (# 52:9 Single Ambig)
&rst
ixpk= 52, nxpk= 9, iat= -1,2236, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2224,2238,
&end
#
# 135 THR MG2 135 THR HB 4.50 (# 53:9 Unique 2.45, 2.65 A)
&rst
ixpk= 53, nxpk= 9, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2228,2229,2230,
&end
#
# 0 AMB 9-2:54 135 THR MG2 4.50 (# 54:9 Single Ambig)
&rst
ixpk= 54, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2224,2238,
igr2=2228,2229,2230,
&end
#
# 136 GLU HB- 136 GLU HA 6.00 (# 55:9 Unique 2.32, 2.43 A)
&rst
ixpk= 55, nxpk= 9, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2240,2241,
&end
#
# 136 GLU HB+ 136 GLU HA 6.00 (# 56:9 Unique 2.32, 2.43 A)
&rst
ixpk= 56, nxpk= 9, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2240,2241,
&end
#
# 134 LEU MDX 136 GLU HG- 6.00 (# 57:9 Unique 3.08, 6.57 A)
&rst
ixpk= 57, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2212,2213,2214,2216,2217,2218,
igr2=2243,2244,
&end
#
# 136 GLU HB- 136 GLU HG+ 4.50 (# 59:9 Unique 2.20, 2.63 A)
&rst
ixpk= 59, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2240,2241,
igr2=2243,2244,
&end
#
# 136 GLU HB- 136 GLU HG- 4.50 (# 60:9 Unique 2.20, 2.63 A)
&rst
ixpk= 60, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2240,2241,
igr2=2243,2244,
&end
#
# 136 GLU HB+ 136 GLU HG+ 3.50 (# 61:9 Unique 2.20, 2.63 A)
&rst
ixpk= 61, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2240,2241,
igr2=2243,2244,
&end
#
# 0 AMB 9-2:62 136 GLU HG- 2.60 (# 62:9 Single Ambig)
&rst
ixpk= 62, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=2240,2241,2145,2146,
igr2=2243,2244,
&end
#
# 0 AMB 9-2:64 0 AMB 9-1:64 6.00 (# 64:9 Double Ambig)
&rst
ixpk= 64, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=2238,2224,2143,
igr2=2243,2244,2243,2244,2243,2244,
&end
#
# 0 AMB 9-2:65 136 GLU HG- 6.00 (# 65:9 Single Ambig)
&rst
ixpk= 65, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2238,2224,2143,
igr2=2243,2244,
&end
#
# 136 GLU HG+ 136 GLU HB+ 3.50 (# 67:9 Unique 2.20, 2.63 A)
&rst
ixpk= 67, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2243,2244,
igr2=2240,2241,
&end
#
# 136 GLU HA 136 GLU HB+ 4.50 (# 68:9 Unique 2.32, 2.43 A)
&rst
ixpk= 68, nxpk= 9, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2240,2241,
&end
#
# 136 GLU HA 136 GLU HB- 4.50 (# 69:9 Unique 2.32, 2.43 A)
&rst
ixpk= 69, nxpk= 9, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2240,2241,
&end
#
# 137 TYR HB- 137 TYR HN 6.00 (# 70:9 Unique 2.32, 3.34 A)
&rst
ixpk= 70, nxpk= 9, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2255,2256,
&end
#
# 0 AMB 9-2:71 137 TYR HN 3.50 (# 71:9 Single Ambig)
&rst
ixpk= 71, nxpk= 9, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2238,2224,
&end
#
# 137 TYR HA 137 TYR HN 4.50 (# 72:9 Unique 2.78, 2.88 A)
&rst
ixpk= 72, nxpk= 9, iat=2253,2251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 TYR HD 137 TYR HN 6.00 (# 73:9 Unique 1.95, 3.56 A)
&rst
ixpk= 73, nxpk= 9, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2259,2268,
&end
#
# 131 VAL MGY 129 TYR HH 6.00 (# 74:9 Unique 4.40, 7.43 A)
&rst
ixpk= 74, nxpk= 9, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2162,2163,2164,2166,2167,2168,
&end
#
# 137 TYR HB- 137 TYR HD 4.50 (# 75:9 Unique 2.33, 3.06 A)
&rst
ixpk= 75, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2255,2256,
igr2=2259,2268,
&end
#
# 137 TYR HE 137 TYR HD 2.60 (# 76:9 Unique 2.46, 3.69 A)
&rst
ixpk= 76, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=2261,2266,
igr2=2259,2268,
&end
#
# 137 TYR HD 137 TYR HE 2.60 (# 77:9 Unique 2.46, 3.69 A)
&rst
ixpk= 77, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=2259,2268,
igr2=2261,2266,
&end
#
# 132 LEU HB- 132 LEU HN 6.00 (# 78:9 Unique 2.89, 3.27 A)
&rst
ixpk= 78, nxpk= 9, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2176,2177,
&end
#
# 0 AMB 9-2:79 132 LEU HN 6.00 (# 79:9 Single Ambig)
&rst
ixpk= 79, nxpk= 9, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2174,2158,
&end
#
# 122 TYR HE 122 TYR HD 4.50 (# 80:9 Unique 2.46, 3.69 A)
&rst
ixpk= 80, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2036,2041,
igr2=2034,2043,
&end
#
# 122 TYR HD 122 TYR HE 4.50 (# 81:9 Unique 2.46, 3.69 A)
&rst
ixpk= 81, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2034,2043,
igr2=2036,2041,
&end
#
# 0 AMB 9-2:82 0 AMB 9-1:82 4.50 (# 82:9 Double Ambig)
&rst
ixpk= 82, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2075,2099,
igr2=2077,2078,2101,2102,
&end
#
# 132 LEU HA 132 LEU HB+ 4.50 (# 83:9 Unique 2.26, 2.43 A)
&rst
ixpk= 83, nxpk= 9, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2176,2177,
&end
#
# 132 LEU HA 132 LEU HB- 4.50 (# 84:9 Unique 2.26, 2.43 A)
&rst
ixpk= 84, nxpk= 9, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2176,2177,
&end
#
# 132 LEU MDY 0 AMB 9-1:85 3.50 (# 85:9 Single Ambig)
&rst
ixpk= 85, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2181,2182,2183,2185,2186,2187,
igr2=2210,2176,2177,
&end
#
# 132 LEU MDX 0 AMB 9-1:86 3.50 (# 86:9 Single Ambig)
&rst
ixpk= 86, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2181,2182,2183,2185,2186,2187,
igr2=2210,2176,2177,
&end
#
# 0 AMB 9-2:87 132 LEU HB- 4.50 (# 87:9 Single Ambig)
&rst
ixpk= 87, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2181,2182,2183,2185,2186,2187,2162,2163,2164,2166,
2167,2168,
igr2=2176,2177,
&end
#
# 132 LEU MDX 132 LEU HB- 3.50 (# 88:9 Unique 2.33, 3.31 A)
&rst
ixpk= 88, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2181,2182,2183,2185,2186,2187,
igr2=2176,2177,
&end
#
# 0 AMB 9-2:94 134 LEU MDX 3.50 (# 94:9 Single Ambig)
&rst
ixpk= 94, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2176,2177,2210,
igr2=2212,2213,2214,2216,2217,2218,
&end
#
# 123 GLU HA 131 VAL MGX 3.50 (# 95:9 Unique 1.96, 4.01 A)
&rst
ixpk= 95, nxpk= 9, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2162,2163,2164,2166,2167,2168,
&end
#
# 0 AMB 9-2:98 126 ASP HN 6.00 (# 98:9 Single Ambig)
&rst
ixpk= 98, nxpk= 9, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2066,2067,2066,2067,
&end
#
# 0 AMB 9-2:99 0 AMB 9-1:99 6.00 (# 99:9 Double Ambig)
&rst
ixpk= 99, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=2162,2163,2164,2166,2167,2168,2212,2213,2214,2216,
2217,2218,
igr2=2062,2222,
&end
#
# 0 AMB 9-2:100 0 AMB 9-1:100 8.00 (# 100:9 Double Ambig)
&rst
ixpk= 100, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=2210,2176,2177,
igr2=2222,2191,
&end
#
# 135 THR HA 135 THR HN 8.00 (# 101:9 Unique 2.29, 2.74 A)
&rst
ixpk= 101, nxpk= 9, iat=2224,2222, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 9-2:102 0 AMB 9-1:102 6.00 (# 102:9 Double Ambig)
&rst
ixpk= 102, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2158,2174,
igr2=2062,2191,
&end
#
# 0 AMB 9-2:103 124 SER HN 6.00 (# 103:9 Single Ambig)
&rst
ixpk= 103, nxpk= 9, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=2066,2067,2066,2067,2064,
&end
#
# 0 AMB 9-2:106 134 LEU MDY 4.50 (# 106:9 Single Ambig)
&rst
ixpk= 106, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2176,2177,2210,
igr2=2212,2213,2214,2216,2217,2218,
&end
#
# 125 ASP HB+ 122 TYR HE 6.00 (# 118:9 Unique 1.92, 4.62 A)
&rst
ixpk= 118, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2077,2078,
igr2=2036,2041,
&end
#
# 0 AMB 9-2:121 129 TYR HE 6.00 (# 121:9 Single Ambig)
&rst
ixpk= 121, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2064,2066,2067,2066,2067,
igr2=2130,2135,
&end
#
# 0 AMB 9-2:122 129 TYR HE 6.00 (# 122:9 Single Ambig)
&rst
ixpk= 122, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
igr2=2130,2135,
&end
#
# 130 GLU HA 130 GLU HB+ 4.50 (# 123:9 Unique 2.33, 2.71 A)
&rst
ixpk= 123, nxpk= 9, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2145,2146,
&end
#
# 130 GLU HG+ 130 GLU HB+ 3.50 (# 124:9 Unique 2.21, 2.65 A)
&rst
ixpk= 124, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2148,2149,
igr2=2145,2146,
&end
#
# 0 AMB 9-2:127 132 LEU HG 6.00 (# 127:9 Single Ambig)
&rst
ixpk= 127, nxpk= 9, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2174,2158,
&end
#
# 0 AMB 9-2:128 131 VAL MGX 3.50 (# 128:9 Single Ambig)
&rst
ixpk= 128, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2158,2174,
igr2=2162,2163,2164,2166,2167,2168,
&end
#
# 0 AMB 9-2:129 132 LEU HG 4.50 (# 129:9 Single Ambig)
&rst
ixpk= 129, nxpk= 9, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2181,2182,2183,2185,2186,2187,2162,2163,2164,2166,
2167,2168,
&end
#
# 132 LEU MDX 132 LEU HG 3.50 (# 130:9 Unique 2.44, 2.64 A)
&rst
ixpk= 130, nxpk= 9, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2181,2182,2183,2185,2186,2187,
&end
#
# 133 ASP HA 132 LEU HN 4.50 (# 131:9 Unique 4.56, 4.93 A)
&rst
ixpk= 131, nxpk= 9, iat=2193,2172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LEU HB+ 132 LEU HN 6.00 (# 132:9 Unique 2.89, 3.27 A)
&rst
ixpk= 132, nxpk= 9, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2176,2177,
&end
#
# 135 THR MG2 0 AMB 9-1:133 6.00 (# 133:9 Single Ambig)
&rst
ixpk= 133, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2228,2229,2230,
igr2=2224,2238,
&end
#
# 136 GLU HG+ 136 GLU HB- 8.00 (# 134:9 Unique 2.20, 2.63 A)
&rst
ixpk= 134, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=2243,2244,
igr2=2240,2241,
&end
#
# 136 GLU HG- 136 GLU HB- 6.00 (# 135:9 Unique 2.20, 2.63 A)
&rst
ixpk= 135, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2243,2244,
igr2=2240,2241,
&end
#
# 137 TYR HA 137 TYR HD 4.50 (# 136:9 Unique 4.04, 4.19 A)
&rst
ixpk= 136, nxpk= 9, iat=2253, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2259,2268,
&end
#
# 0 AMB 9-2:138 131 VAL MGX 2.60 (# 138:9 Single Ambig)
&rst
ixpk= 138, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=2054,2055,2160,
igr2=2162,2163,2164,2166,2167,2168,
&end
#
# 129 TYR HB+ 129 TYR HD 4.50 (# 141:9 Unique 2.32, 3.07 A)
&rst
ixpk= 141, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2124,2125,
igr2=2128,2137,
&end
#
# 137 TYR HB+ 137 TYR HD 4.50 (# 142:9 Unique 2.33, 3.06 A)
&rst
ixpk= 142, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2255,2256,
igr2=2259,2268,
&end
#
# 137 TYR HB+ 137 TYR HN 6.00 (# 143:9 Unique 2.32, 3.34 A)
&rst
ixpk= 143, nxpk= 9, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2255,2256,
&end
#
# 132 LEU HG 132 LEU HN 6.00 (# 145:9 Unique 1.89, 2.07 A)
&rst
ixpk= 145, nxpk= 9, iat=2179,2172, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 TYR HD 122 TYR HD 3.50 (# 146:9 Unique 3.81, 7.61 A)
&rst
ixpk= 146, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2128,2137,
igr2=2034,2043,
&end
#
# 135 THR HB 135 THR HN 8.00 (# 150:9 Unique 2.59, 3.00 A)
&rst
ixpk= 150, nxpk= 9, iat=2226,2222, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 9-2:152 129 TYR HH 6.00 (# 152:9 Single Ambig)
&rst
ixpk= 152, nxpk= 9, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=2066,2067,2066,2067,2064,
&end
#
# 133 ASP HA 133 ASP HB- 3.50 (# 153:9 Unique 2.29, 2.44 A)
&rst
ixpk= 153, nxpk= 9, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2195,2196,
&end
#
# 133 ASP HA 133 ASP HB+ 4.50 (# 154:9 Unique 2.29, 2.44 A)
&rst
ixpk= 154, nxpk= 9, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2195,2196,
&end
#
# 129 TYR HE 122 TYR HD 6.00 (# 155:9 Unique 5.13, 8.96 A)
&rst
ixpk= 155, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2130,2135,
igr2=2034,2043,
&end
#
# 122 TYR HE 129 TYR HD 6.00 (# 156:9 Unique 4.80, 8.53 A)
&rst
ixpk= 156, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2036,2041,
igr2=2128,2137,
&end
#
# 0 AMB 9-2:158 132 LEU MDX 6.00 (# 158:9 Single Ambig)
&rst
ixpk= 158, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2174,2158,
igr2=2181,2182,2183,2185,2186,2187,
&end
#
# 0 AMB 9-2:159 132 LEU HN 8.00 (# 159:9 Single Ambig)
&rst
ixpk= 159, nxpk= 9, iat= -1,2172, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=2162,2163,2164,2166,2167,2168,2181,2182,2183,2185,
2186,2187,
&end
#
# 134 LEU MDY 0 AMB 9-1:160 4.50 (# 160:9 Single Ambig)
&rst
ixpk= 160, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2212,2213,2214,2216,2217,2218,
igr2=2176,2177,2210,
&end
#
# 135 THR MG2 135 THR HN 6.00 (# 161:9 Unique 4.28, 4.66 A)
&rst
ixpk= 161, nxpk= 9, iat= -1,2222, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2228,2229,2230,
&end
#
# 135 THR HB 135 THR MG2 3.50 (# 162:9 Unique 2.45, 2.65 A)
&rst
ixpk= 162, nxpk= 9, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2228,2229,2230,
&end
#
# 130 GLU HA 130 GLU HB- 6.00 (# 164:9 Unique 2.33, 2.71 A)
&rst
ixpk= 164, nxpk= 9, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2145,2146,
&end
#
# 0 AMB 9-2:165 0 AMB 9-1:165 6.00 (# 165:9 Double Ambig)
&rst
ixpk= 165, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2158,2174,
igr2=2160,2054,2055,2054,2055,
&end
#
# 0 AMB 9-2:166 131 VAL HN 8.00 (# 166:9 Single Ambig)
&rst
ixpk= 166, nxpk= 9, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=2143,2158,
&end
#
# 132 LEU MDY 136 GLU HB- 6.00 (# 167:9 Unique 4.94, 7.85 A)
&rst
ixpk= 167, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2181,2182,2183,2185,2186,2187,
igr2=2240,2241,
&end
#
# 0 AMB 9-2:168 132 LEU MDY 4.50 (# 168:9 Single Ambig)
&rst
ixpk= 168, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2210,2176,2177,
igr2=2181,2182,2183,2185,2186,2187,
&end
#
# 0 AMB 9-2:170 132 LEU MDX 4.50 (# 170:9 Single Ambig)
&rst
ixpk= 170, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2210,2176,2177,
igr2=2181,2182,2183,2185,2186,2187,
&end
#
# 132 LEU HG 0 AMB 9-1:171 4.50 (# 171:9 Single Ambig)
&rst
ixpk= 171, nxpk= 9, iat=2179, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2181,2182,2183,2185,2186,2187,2162,2163,2164,2166,
2167,2168,
&end
#
# 132 LEU HG 132 LEU MDX 4.50 (# 172:9 Unique 2.44, 2.64 A)
&rst
ixpk= 172, nxpk= 9, iat=2179, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2181,2182,2183,2185,2186,2187,
&end
#
# 132 LEU HB- 132 LEU MDX 6.00 (# 173:9 Unique 2.33, 3.31 A)
&rst
ixpk= 173, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2176,2177,
igr2=2181,2182,2183,2185,2186,2187,
&end
#
# 132 LEU HB- 0 AMB 9-1:174 6.00 (# 174:9 Single Ambig)
&rst
ixpk= 174, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=2176,2177,
igr2=2181,2182,2183,2185,2186,2187,2162,2163,2164,2166,
2167,2168,
&end
#
# 123 GLU HA 0 AMB 9-1:175 4.50 (# 175:9 Single Ambig)
&rst
ixpk= 175, nxpk= 9, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
&end
#
# 123 GLU HB+ 133 ASP HB+ 2.60 (# 181:9 Unique 7.14, 9.13 A)
&rst
ixpk= 181, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=2051,2052,
igr2=2195,2196,
&end
#
# 0 AMB 9-2:188 132 LEU HG 2.60 (# 188:9 Single Ambig)
&rst
ixpk= 188, nxpk= 9, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=2210,2176,2177,
&end
#
# 132 LEU HG 0 AMB 9-1:189 2.60 (# 189:9 Single Ambig)
&rst
ixpk= 189, nxpk= 9, iat=2179, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=2210,2176,2177,
&end
#
# 131 VAL HB 131 VAL HN 4.50 (# 191:9 Unique 2.82, 3.24 A)
&rst
ixpk= 191, nxpk= 9, iat=2160,2156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 TYR HN 137 TYR HD 8.00 (# 192:9 Unique 1.95, 3.56 A)
&rst
ixpk= 192, nxpk= 9, iat=2251, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=2259,2268,
&end
#
# 133 ASP HN 132 LEU HN 8.00 (# 194:9 Unique 2.47, 3.12 A)
&rst
ixpk= 194, nxpk= 9, iat=2191,2172, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 131 VAL HN 0 AMB 9-1:195 6.00 (# 195:9 Single Ambig)
&rst
ixpk= 195, nxpk= 9, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2210,2176,2177,
&end
#
# 132 LEU HN 132 LEU HB+ 8.00 (# 196:9 Unique 2.89, 3.27 A)
&rst
ixpk= 196, nxpk= 9, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=2176,2177,
&end
#
# 132 LEU HN 132 LEU HG 6.00 (# 197:9 Unique 1.89, 2.07 A)
&rst
ixpk= 197, nxpk= 9, iat=2172,2179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 9-2:198 0 AMB 9-1:198 8.00 (# 198:9 Double Ambig)
&rst
ixpk= 198, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=2222,2191,
igr2=2210,2176,2177,
&end
#
# 131 VAL HN 0 AMB 9-1:199 4.50 (# 199:9 Single Ambig)
&rst
ixpk= 199, nxpk= 9, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
&end
#
# 0 AMB 9-2:200 131 VAL MGX 6.00 (# 200:9 Single Ambig)
&rst
ixpk= 200, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2073,2141,
igr2=2162,2163,2164,2166,2167,2168,
&end
#
# 135 THR HN 134 LEU MDX 6.00 (# 201:9 Unique 2.01, 4.74 A)
&rst
ixpk= 201, nxpk= 9, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2212,2213,2214,2216,2217,2218,
&end
#
# 0 AMB 9-2:202 0 AMB 9-1:202 6.00 (# 202:9 Double Ambig)
&rst
ixpk= 202, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2191,2222,
igr2=2195,2196,2195,2196,
&end
#
# 0 AMB 9-2:203 133 ASP HB- 8.00 (# 203:9 Single Ambig)
&rst
ixpk= 203, nxpk= 9, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=2191,2222,
igr2=2195,2196,
&end
#
# 137 TYR HN 137 TYR HB+ 6.00 (# 204:9 Unique 2.32, 3.34 A)
&rst
ixpk= 204, nxpk= 9, iat=2251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2255,2256,
&end
#
# 137 TYR HN 137 TYR HB- 6.00 (# 205:9 Unique 2.32, 3.34 A)
&rst
ixpk= 205, nxpk= 9, iat=2251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2255,2256,
&end
#
# 123 GLU HA 0 AMB 9-1:206 6.00 (# 206:9 Single Ambig)
&rst
ixpk= 206, nxpk= 9, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2176,2177,2210,
&end
#
# 0 AMB 25-2:0 99 TYR HD 4.50 (# 0:25 Single Ambig)
&rst
ixpk= 0, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1827,1828,1830,
igr2=1681,1690,
&end
#
# 7 PHE HB- 7 PHE HD 10.00 (# 1:25 Unique 2.31, 3.05 A)
&rst
ixpk= 1, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
igr1= 101, 102,
igr2= 105, 113,
&end
#
# 0 AMB 25-2:2 7 PHE HD 10.00 (# 2:25 Single Ambig)
&rst
ixpk= 2, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.14, r4=14.64,
igr1= 280, 281, 101, 102,
igr2= 105, 113,
&end
#
# 13 PHE HB+ 13 PHE HD 10.00 (# 3:25 Unique 2.30, 3.04 A)
&rst
ixpk= 3, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
igr1= 222, 223,
igr2= 226, 234,
&end
#
# 13 PHE HB- 13 PHE HD 6.00 (# 4:25 Unique 2.30, 3.04 A)
&rst
ixpk= 4, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 222, 223,
igr2= 226, 234,
&end
#
# 52 PHE HB- 52 PHE HD 4.50 (# 5:25 Unique 2.30, 3.04 A)
&rst
ixpk= 5, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 911, 912,
igr2= 915, 923,
&end
#
# 52 PHE HB+ 52 PHE HD 4.50 (# 6:25 Unique 2.30, 3.04 A)
&rst
ixpk= 6, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 911, 912,
igr2= 915, 923,
&end
#
# 52 PHE HE 52 PHE HD 3.50 (# 7:25 Unique 2.46, 3.69 A)
&rst
ixpk= 7, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 917, 921,
igr2= 915, 923,
&end
#
# 0 AMB 25-2:8 0 AMB 25-1:8 3.50 (# 8:25 Double Ambig)
&rst
ixpk= 8, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1399,1403, 919,
igr2=1397,1405, 917, 921,
&end
#
# 0 AMB 25-2:9 0 AMB 25-1:9 4.50 (# 9:25 Double Ambig)
&rst
ixpk= 9, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1397,1405, 917, 921,
igr2=1399,1403, 919,
&end
#
# 79 PHE HB- 79 PHE HD 6.00 (# 10:25 Unique 2.30, 3.04 A)
&rst
ixpk= 10, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1373,1374,
igr2=1377,1385,
&end
#
# 0 AMB 25-2:11 79 PHE HD 6.00 (# 11:25 Single Ambig)
&rst
ixpk= 11, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1187,1188,1373,1374,
igr2=1377,1385,
&end
#
# 79 PHE HZ 79 PHE HD 10.00 (# 12:25 Unique 4.27, 4.27 A)
&rst
ixpk= 12, nxpk= 25, iat=1381, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2=1377,1385,
&end
#
# 79 PHE HZ 79 PHE HE 6.00 (# 15:25 Unique 2.47, 2.47 A)
&rst
ixpk= 15, nxpk= 25, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1379,1383,
&end
#
# 79 PHE HE 79 PHE HZ 3.50 (# 16:25 Unique 2.47, 2.47 A)
&rst
ixpk= 16, nxpk= 25, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1379,1383,
&end
#
# 81 LEU HB- 79 PHE HZ 10.00 (# 17:25 Unique 1.92, 4.68 A)
&rst
ixpk= 17, nxpk= 25, iat= -1,1381, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1413,1414,
&end
#
# 0 AMB 25-2:18 79 PHE HZ 6.00 (# 18:25 Single Ambig)
&rst
ixpk= 18, nxpk= 25, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
1423,1424,
&end
#
# 67 ILE QG2 79 PHE HZ 6.00 (# 19:25 Unique 2.23, 3.78 A)
&rst
ixpk= 19, nxpk= 25, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1164,1165,1166,
&end
#
# 0 AMB 25-2:20 7 PHE HD 3.50 (# 20:25 Single Ambig)
&rst
ixpk= 20, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 180, 139,
igr2= 105, 113,
&end
#
# 13 PHE HA 13 PHE HD 10.00 (# 21:25 Unique 2.40, 3.42 A)
&rst
ixpk= 21, nxpk= 25, iat= 220, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2= 226, 234,
&end
#
# 63 LEU MDY 52 PHE HD 6.00 (# 26:25 Unique 1.74, 5.86 A)
&rst
ixpk= 26, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1088,1089,1090,1092,1093,1094,
igr2= 915, 923,
&end
#
# 0 AMB 25-2:27 52 PHE HD 4.50 (# 27:25 Single Ambig)
&rst
ixpk= 27, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 578, 579, 580, 582, 583, 584, 952, 953, 954, 956,
957, 958,2162,2163,2164,2166,2167,2168,2181,2182,
2183,2185,2186,2187,
igr2= 915, 923,
&end
#
# 0 AMB 25-2:28 52 PHE HD 6.00 (# 28:25 Single Ambig)
&rst
ixpk= 28, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 952, 953, 954, 956, 957, 958,1168,1169,
igr2= 915, 923,
&end
#
# 81 LEU HG 52 PHE HD 10.00 (# 29:25 Unique 5.19, 7.93 A)
&rst
ixpk= 29, nxpk= 25, iat=1416, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2= 915, 923,
&end
#
# 0 AMB 25-2:30 52 PHE HD 6.00 (# 30:25 Single Ambig)
&rst
ixpk= 30, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2176,2177, 617, 618,1162,
igr2= 915, 923,
&end
#
# 35 ILE HB 52 PHE HD 6.00 (# 31:25 Unique 1.79, 4.33 A)
&rst
ixpk= 31, nxpk= 25, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 915, 923,
&end
#
# 0 AMB 25-2:32 52 PHE HD 6.00 (# 32:25 Single Ambig)
&rst
ixpk= 32, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 950,1867,1868,1867,1868,
igr2= 915, 923,
&end
#
# 63 LEU HB+ 52 PHE HD 10.00 (# 33:25 Unique 3.09, 5.76 A)
&rst
ixpk= 33, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
igr1=1083,1084,
igr2= 915, 923,
&end
#
# 49 LYS HE+ 52 PHE HD 10.00 (# 34:25 Unique 4.26, 6.80 A)
&rst
ixpk= 34, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
igr1= 862, 863,
igr2= 915, 923,
&end
#
# 80 PHE HB- 80 PHE HD 6.00 (# 38:25 Unique 2.31, 3.05 A)
&rst
ixpk= 38, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1393,1394,
igr2=1397,1405,
&end
#
# 80 PHE HB+ 80 PHE HD 4.50 (# 39:25 Unique 2.31, 3.05 A)
&rst
ixpk= 39, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1393,1394,
igr2=1397,1405,
&end
#
# 117 GLU HA 80 PHE HD 10.00 (# 40:25 Unique 3.38, 5.80 A)
&rst
ixpk= 40, nxpk= 25, iat=1957, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2=1397,1405,
&end
#
# 0 AMB 25-2:41 80 PHE HD 4.50 (# 41:25 Single Ambig)
&rst
ixpk= 41, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1940,1371,
igr2=1397,1405,
&end
#
# 79 PHE HE 79 PHE HD 4.50 (# 42:25 Unique 2.46, 3.69 A)
&rst
ixpk= 42, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1379,1383,
igr2=1377,1385,
&end
#
# 80 PHE HN 80 PHE HD 10.00 (# 43:25 Unique 2.69, 4.35 A)
&rst
ixpk= 43, nxpk= 25, iat=1389, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2=1397,1405,
&end
#
# 117 GLU HB- 80 PHE HE 10.00 (# 44:25 Unique 2.78, 6.79 A)
&rst
ixpk= 44, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
igr1=1959,1960,
igr2=1399,1403,
&end
#
# 78 ALA MB 80 PHE HE 6.00 (# 45:25 Unique 2.26, 5.70 A)
&rst
ixpk= 45, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1363,1364,1365,
igr2=1399,1403,
&end
#
# 0 AMB 25-2:46 0 AMB 25-1:46 6.00 (# 46:25 Double Ambig)
&rst
ixpk= 46, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1940,1371,1038,1449,
igr2=1399,1403, 919,
&end
#
# 117 GLU HN 80 PHE HE 10.00 (# 47:25 Unique 3.45, 5.89 A)
&rst
ixpk= 47, nxpk= 25, iat=1955, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2=1399,1403,
&end
#
# 0 AMB 25-2:48 79 PHE HD 10.00 (# 48:25 Single Ambig)
&rst
ixpk= 48, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.19, r4=16.69,
igr1=1294,1295,1296,1298,1299,1300,1164,1165,1166,
igr2=1377,1385,
&end
#
# 64 ILE QG2 79 PHE HD 6.00 (# 49:25 Unique 2.69, 6.36 A)
&rst
ixpk= 49, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1104,1105,1106,
igr2=1377,1385,
&end
#
# 80 PHE HD 80 PHE HZ 10.00 (# 51:25 Unique 4.27, 4.27 A)
&rst
ixpk= 51, nxpk= 25, iat= -1,1401, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1397,1405,
&end
#
# 33 VAL HA 108 PHE HD 10.00 (# 54:25 Unique 2.19, 5.79 A)
&rst
ixpk= 54, nxpk= 25, iat= 574, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2=1811,1819,
&end
#
# 0 AMB 25-2:55 108 PHE HD 4.50 (# 55:25 Single Ambig)
&rst
ixpk= 55, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 283,1813,1817,
igr2=1811,1819,
&end
#
# 107 GLY HN 108 PHE HD 10.00 (# 56:25 Unique 4.66, 6.20 A)
&rst
ixpk= 56, nxpk= 25, iat=1796, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2=1811,1819,
&end
#
# 119 PHE HB- 119 PHE HD 6.00 (# 59:25 Unique 2.30, 3.05 A)
&rst
ixpk= 59, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1988,1989,
igr2=1992,2000,
&end
#
# 53 LEU MDY 27 HIS HD2 6.00 (# 66:25 Unique 5.22, 7.34 A)
&rst
ixpk= 66, nxpk= 25, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 936, 937, 938, 940, 941, 942,
&end
#
# 23 ILE HG1- 27 HIS HD2 10.00 (# 69:25 Unique 2.00, 3.38 A)
&rst
ixpk= 69, nxpk= 25, iat= -1, 485, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 406, 407,
&end
#
# 26 GLN HG- 27 HIS HD2 10.00 (# 70:25 Unique 1.91, 3.81 A)
&rst
ixpk= 70, nxpk= 25, iat= -1, 485, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 461, 462,
&end
#
# 38 TYR HD 38 TYR HE 3.50 (# 75:25 Unique 2.46, 3.69 A)
&rst
ixpk= 75, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 673, 682,
igr2= 675, 680,
&end
#
# 43 GLN HN 38 TYR HE 10.00 (# 76:25 Unique 2.08, 5.39 A)
&rst
ixpk= 76, nxpk= 25, iat= 752, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2= 675, 680,
&end
#
# 31 ILE QD1 99 TYR HD 4.50 (# 77:25 Unique 1.85, 4.60 A)
&rst
ixpk= 77, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 552, 553, 554,
igr2=1681,1690,
&end
#
# 109 LEU MDX 99 TYR HD 6.00 (# 78:25 Unique 2.20, 5.71 A)
&rst
ixpk= 78, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1832,1833,1834,1836,1837,1838,
igr2=1681,1690,
&end
#
# 109 LEU MDY 99 TYR HD 6.00 (# 79:25 Unique 2.20, 5.71 A)
&rst
ixpk= 79, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1832,1833,1834,1836,1837,1838,
igr2=1681,1690,
&end
#
# 103 LYS HD+ 99 TYR HD 6.00 (# 80:25 Unique 2.98, 5.99 A)
&rst
ixpk= 80, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1745,1746,
igr2=1681,1690,
&end
#
# 109 LEU HB+ 99 TYR HD 6.00 (# 81:25 Unique 1.98, 5.59 A)
&rst
ixpk= 81, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1827,1828,
igr2=1681,1690,
&end
#
# 99 TYR HB- 99 TYR HD 6.00 (# 82:25 Unique 2.32, 3.06 A)
&rst
ixpk= 82, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1677,1678,
igr2=1681,1690,
&end
#
# 99 TYR HB+ 99 TYR HD 4.50 (# 83:25 Unique 2.32, 3.06 A)
&rst
ixpk= 83, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1677,1678,
igr2=1681,1690,
&end
#
# 0 AMB 25-2:84 99 TYR HD 4.50 (# 84:25 Single Ambig)
&rst
ixpk= 84, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1675,1633,
igr2=1681,1690,
&end
#
# 103 LYS HA 99 TYR HD 10.00 (# 85:25 Unique 2.48, 4.85 A)
&rst
ixpk= 85, nxpk= 25, iat=1737, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2=1681,1690,
&end
#
# 99 TYR HE 99 TYR HD 3.50 (# 86:25 Unique 2.46, 3.69 A)
&rst
ixpk= 86, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1683,1688,
igr2=1681,1690,
&end
#
# 0 AMB 25-2:87 99 TYR HD 6.00 (# 87:25 Single Ambig)
&rst
ixpk= 87, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1673,1757,
igr2=1681,1690,
&end
#
# 31 ILE QD1 99 TYR HE 6.00 (# 88:25 Unique 3.33, 5.53 A)
&rst
ixpk= 88, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 552, 553, 554,
igr2=1683,1688,
&end
#
# 31 ILE QG2 99 TYR HE 6.00 (# 89:25 Unique 3.23, 5.66 A)
&rst
ixpk= 89, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 545, 546, 547,
igr2=1683,1688,
&end
#
# 0 AMB 25-2:91 99 TYR HE 4.50 (# 91:25 Single Ambig)
&rst
ixpk= 91, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1811,1819,1681,1690,
igr2=1683,1688,
&end
#
# 34 ILE QG2 110 TYR HD 6.00 (# 92:25 Unique 3.69, 6.41 A)
&rst
ixpk= 92, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 594, 595, 596,
igr2=1850,1859,
&end
#
# 34 ILE HB 110 TYR HD 6.00 (# 93:25 Unique 3.11, 4.86 A)
&rst
ixpk= 93, nxpk= 25, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1850,1859,
&end
#
# 110 TYR HB- 110 TYR HD 6.00 (# 94:25 Unique 2.32, 3.06 A)
&rst
ixpk= 94, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1846,1847,
igr2=1850,1859,
&end
#
# 110 TYR HB+ 110 TYR HD 6.00 (# 95:25 Unique 2.32, 3.06 A)
&rst
ixpk= 95, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1846,1847,
igr2=1850,1859,
&end
#
# 104 ASP HB- 110 TYR HD 6.00 (# 96:25 Unique 2.91, 5.70 A)
&rst
ixpk= 96, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1761,1762,
igr2=1850,1859,
&end
#
# 104 ASP HB+ 110 TYR HD 6.00 (# 97:25 Unique 2.91, 5.70 A)
&rst
ixpk= 97, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1761,1762,
igr2=1850,1859,
&end
#
# 34 ILE HA 110 TYR HD 6.00 (# 98:25 Unique 5.83, 7.59 A)
&rst
ixpk= 98, nxpk= 25, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1850,1859,
&end
#
# 110 TYR HA 110 TYR HD 10.00 (# 99:25 Unique 2.30, 3.54 A)
&rst
ixpk= 99, nxpk= 25, iat=1844, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2=1850,1859,
&end
#
# 110 TYR HE 110 TYR HD 2.80 (# 100:25 Unique 2.46, 3.69 A)
&rst
ixpk= 100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1852,1857,
igr2=1850,1859,
&end
#
# 110 TYR HN 110 TYR HD 6.00 (# 102:25 Unique 1.92, 4.12 A)
&rst
ixpk= 102, nxpk= 25, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1850,1859,
&end
#
# 104 ASP HN 110 TYR HD 6.00 (# 103:25 Unique 4.72, 7.67 A)
&rst
ixpk= 103, nxpk= 25, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1850,1859,
&end
#
# 35 ILE HG1+ 113 TYR HD 4.50 (# 105:25 Unique 1.94, 4.29 A)
&rst
ixpk= 105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 617, 618,
igr2=1904,1913,
&end
#
# 0 AMB 25-2:106 113 TYR HD 6.00 (# 106:25 Single Ambig)
&rst
ixpk= 106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
1423,1424,
igr2=1904,1913,
&end
#
# 44 LEU MDX 113 TYR HD 4.50 (# 107:25 Unique 1.84, 5.91 A)
&rst
ixpk= 107, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1904,1913,
&end
#
# 35 ILE HB 113 TYR HD 10.00 (# 108:25 Unique 4.11, 6.41 A)
&rst
ixpk= 108, nxpk= 25, iat= 611, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2=1904,1913,
&end
#
# 0 AMB 25-2:109 113 TYR HD 10.00 (# 109:25 Single Ambig)
&rst
ixpk= 109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.14, r4=14.64,
igr1=1867,1868,1867,1868,
igr2=1904,1913,
&end
#
# 113 TYR HB- 113 TYR HD 6.00 (# 110:25 Unique 2.32, 3.07 A)
&rst
ixpk= 110, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1900,1901,
igr2=1904,1913,
&end
#
# 113 TYR HB+ 113 TYR HD 6.00 (# 111:25 Unique 2.32, 3.07 A)
&rst
ixpk= 111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1900,1901,
igr2=1904,1913,
&end
#
# 113 TYR HA 113 TYR HD 6.00 (# 112:25 Unique 1.86, 3.63 A)
&rst
ixpk= 112, nxpk= 25, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1904,1913,
&end
#
# 113 TYR HE 113 TYR HD 3.50 (# 113:25 Unique 2.46, 3.69 A)
&rst
ixpk= 113, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1906,1911,
igr2=1904,1913,
&end
#
# 113 TYR HN 113 TYR HD 6.00 (# 115:25 Unique 2.59, 4.47 A)
&rst
ixpk= 115, nxpk= 25, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1904,1913,
&end
#
# 113 TYR HD 113 TYR HE 4.50 (# 118:25 Unique 2.46, 3.69 A)
&rst
ixpk= 118, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1904,1913,
igr2=1906,1911,
&end
#
# 0 AMB 25-2:119 38 TYR HD 4.50 (# 119:25 Single Ambig)
&rst
ixpk= 119, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
igr2= 673, 682,
&end
#
# 0 AMB 25-2:120 38 TYR HD 4.50 (# 120:25 Single Ambig)
&rst
ixpk= 120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 645, 646, 690, 691,
igr2= 673, 682,
&end
#
# 39 LYS HG+ 38 TYR HD 6.00 (# 121:25 Unique 5.34, 7.59 A)
&rst
ixpk= 121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 693, 694,
igr2= 673, 682,
&end
#
# 0 AMB 25-2:122 38 TYR HD 6.00 (# 122:25 Single Ambig)
&rst
ixpk= 122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 719, 720, 759, 760, 722, 723,1900,1901,
igr2= 673, 682,
&end
#
# 38 TYR HB- 38 TYR HD 4.50 (# 123:25 Unique 2.32, 3.07 A)
&rst
ixpk= 123, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 669, 670,
igr2= 673, 682,
&end
#
# 38 TYR HB+ 38 TYR HD 6.00 (# 124:25 Unique 2.32, 3.07 A)
&rst
ixpk= 124, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 669, 670,
igr2= 673, 682,
&end
#
# 40 GLY HA- 38 TYR HD 6.00 (# 125:25 Unique 1.99, 5.96 A)
&rst
ixpk= 125, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 710, 711,
igr2= 673, 682,
&end
#
# 38 TYR HA 38 TYR HD 4.50 (# 126:25 Unique 3.57, 4.17 A)
&rst
ixpk= 126, nxpk= 25, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 673, 682,
&end
#
# 38 TYR HE 38 TYR HD 3.50 (# 127:25 Unique 2.46, 3.69 A)
&rst
ixpk= 127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 675, 680,
igr2= 673, 682,
&end
#
# 116 GLN HN 38 TYR HD 6.00 (# 129:25 Unique 5.39, 7.19 A)
&rst
ixpk= 129, nxpk= 25, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 673, 682,
&end
#
# 39 LYS HN 38 TYR HD 6.00 (# 130:25 Unique 3.58, 5.07 A)
&rst
ixpk= 130, nxpk= 25, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 673, 682,
&end
#
# 7 PHE HA 7 PHE HE 10.00 (# 131:25 Unique 4.29, 6.06 A)
&rst
ixpk= 131, nxpk= 25, iat= 99, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2= 107, 111,
&end
#
# 7 PHE HB- 7 PHE HE 10.00 (# 132:25 Unique 4.61, 5.05 A)
&rst
ixpk= 132, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
igr1= 101, 102,
igr2= 107, 111,
&end
#
# 0 AMB 25-2:133 0 AMB 25-1:133 6.00 (# 133:25 Double Ambig)
&rst
ixpk= 133, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1389, 607,
igr2=1397,1405, 917, 921,
&end
#
# 44 LEU MDY 79 PHE HD 6.00 (# 134:25 Unique 2.53, 6.71 A)
&rst
ixpk= 134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1377,1385,
&end
#
# 81 LEU HB+ 79 PHE HZ 10.00 (# 135:25 Unique 1.92, 4.68 A)
&rst
ixpk= 135, nxpk= 25, iat= -1,1381, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1413,1414,
&end
#
# 71 LEU HB+ 79 PHE HZ 10.00 (# 136:25 Unique 3.50, 6.46 A)
&rst
ixpk= 136, nxpk= 25, iat= -1,1381, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1253,1254,
&end
#
# 119 PHE HA 119 PHE HD 6.00 (# 139:25 Unique 2.06, 3.78 A)
&rst
ixpk= 139, nxpk= 25, iat=1986, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1992,2000,
&end
#
# 118 THR HN 119 PHE HD 6.00 (# 142:25 Unique 5.04, 6.97 A)
&rst
ixpk= 142, nxpk= 25, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1992,2000,
&end
#
# 27 HIS HB- 27 HIS HD2 10.00 (# 144:25 Unique 2.70, 3.12 A)
&rst
ixpk= 144, nxpk= 25, iat= -1, 485, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 475, 476,
&end
#
# 0 AMB 25-2:145 27 HIS HD2 6.00 (# 145:25 Single Ambig)
&rst
ixpk= 145, nxpk= 25, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 475, 476, 530, 531,
&end
#
# 0 AMB 25-2:146 27 HIS HD2 6.00 (# 146:25 Single Ambig)
&rst
ixpk= 146, nxpk= 25, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 458, 459, 400,
&end
#
# 26 GLN HB+ 27 HIS HD2 6.00 (# 147:25 Unique 3.58, 5.74 A)
&rst
ixpk= 147, nxpk= 25, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 458, 459,
&end
#
# 23 ILE QD1 27 HIS HD2 4.50 (# 148:25 Unique 2.26, 3.94 A)
&rst
ixpk= 148, nxpk= 25, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 409, 410, 411,
&end
#
# 37 ARG HG+ 38 TYR HD 10.00 (# 149:25 Unique 2.33, 5.82 A)
&rst
ixpk= 149, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
igr1= 648, 649,
igr2= 673, 682,
&end
#
# 40 GLY HA- 38 TYR HD 6.00 (# 150:25 Unique 1.99, 5.96 A)
&rst
ixpk= 150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 710, 711,
igr2= 673, 682,
&end
#
# 38 TYR HN 38 TYR HD 10.00 (# 152:25 Unique 1.77, 3.41 A)
&rst
ixpk= 152, nxpk= 25, iat= 665, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr2= 673, 682,
&end
#
# 20 VAL MGX 20 VAL HA 4.50 (# 0:20 Unique 2.38, 3.13 A)
&rst
ixpk= 0, nxpk= 20, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:1 0 AMB 20-1:1 3.50 (# 1:20 Double Ambig)
&rst
ixpk= 1, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 343, 344, 345, 347, 348, 349, 936, 937, 938, 940,
941, 942,
igr2= 565, 566, 341,
&end
#
# 0 AMB 20-2:3 23 ILE QG2 6.00 (# 3:20 Single Ambig)
&rst
ixpk= 3, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 936, 937, 938, 940, 941, 942, 343, 344, 345, 347,
348, 349,
igr2= 402, 403, 404,
&end
#
# 34 ILE HG1+ 34 ILE QG2 6.00 (# 4:20 Unique 2.31, 3.38 A)
&rst
ixpk= 4, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 598, 599,
igr2= 594, 595, 596,
&end
#
# 34 ILE QD1 34 ILE QG2 4.50 (# 5:20 Unique 1.95, 3.96 A)
&rst
ixpk= 5, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 601, 602, 603,
igr2= 594, 595, 596,
&end
#
# 71 LEU MDX 68 ARG HA 6.00 (# 6:20 Unique 2.42, 5.61 A)
&rst
ixpk= 6, nxpk= 20, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1258,1259,1260,1262,1263,1264,
&end
#
# 71 LEU MDX 71 LEU HB+ 6.00 (# 7:20 Unique 2.32, 3.32 A)
&rst
ixpk= 7, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1258,1259,1260,1262,1263,1264,
igr2=1253,1254,
&end
#
# 35 ILE QD1 35 ILE HB 4.50 (# 8:20 Unique 2.45, 3.11 A)
&rst
ixpk= 8, nxpk= 20, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 620, 621, 622,
&end
#
# 31 ILE QD1 99 TYR HB+ 6.00 (# 9:20 Unique 1.94, 3.99 A)
&rst
ixpk= 9, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 552, 553, 554,
igr2=1677,1678,
&end
#
# 35 ILE QD1 35 ILE HG1- 4.50 (# 11:20 Unique 2.44, 2.64 A)
&rst
ixpk= 11, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 620, 621, 622,
igr2= 617, 618,
&end
#
# 0 AMB 20-2:12 0 AMB 20-1:12 2.80 (# 12:20 Double Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1171,1172,1173, 552, 553, 554,
igr2=1168,1169, 549, 550,
&end
#
# 35 ILE QD1 35 ILE HG1+ 4.50 (# 13:20 Unique 2.44, 2.64 A)
&rst
ixpk= 13, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 620, 621, 622,
igr2= 617, 618,
&end
#
# 71 LEU MDX 71 LEU HG 4.50 (# 14:20 Unique 2.44, 2.64 A)
&rst
ixpk= 14, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1258,1259,1260,1262,1263,1264,
&end
#
# 67 ILE QD1 0 AMB 20-1:16 4.50 (# 16:20 Single Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1171,1172,1173,
igr2=1145,1146,1147, 613, 614, 615,
&end
#
# 0 AMB 20-2:17 50 THR HB 3.50 (# 17:20 Single Ambig)
&rst
ixpk= 17, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 877, 878, 879, 889, 890,
&end
#
# 91 VAL MGY 93 THR HB 3.50 (# 18:20 Unique 2.48, 4.43 A)
&rst
ixpk= 18, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1563,1564,1565,1567,1568,1569,
&end
#
# 23 ILE QG2 20 VAL HA 3.50 (# 19:20 Unique 1.77, 2.36 A)
&rst
ixpk= 19, nxpk= 20, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 402, 403, 404,
&end
#
# 20 VAL MGY 20 VAL HA 4.50 (# 20:20 Unique 2.38, 3.13 A)
&rst
ixpk= 20, nxpk= 20, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:21 98 VAL HA 2.80 (# 21:20 Single Ambig)
&rst
ixpk= 21, nxpk= 20, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1663,1664,1665,1667,1668,1669,1663,1664,1665,1667,
1668,1669,
&end
#
# 17 VAL MGX 17 VAL HA 3.50 (# 22:20 Unique 2.37, 3.13 A)
&rst
ixpk= 22, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 17 VAL MGY 17 VAL HA 3.50 (# 23:20 Unique 2.37, 3.13 A)
&rst
ixpk= 23, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 66 ILE HG1+ 66 ILE HA 3.50 (# 24:20 Unique 2.17, 2.99 A)
&rst
ixpk= 24, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1149,1150,
&end
#
# 0 AMB 20-2:25 95 ILE HA 4.50 (# 25:20 Single Ambig)
&rst
ixpk= 25, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1618,1619,1620, 578, 579, 580, 582, 583, 584,
&end
#
# 95 ILE HG1+ 95 ILE HA 6.00 (# 26:20 Unique 2.29, 2.60 A)
&rst
ixpk= 26, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1622,1623,
&end
#
# 98 VAL MGY 95 ILE HA 3.50 (# 27:20 Unique 2.61, 4.25 A)
&rst
ixpk= 27, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1663,1664,1665,1667,1668,1669,
&end
#
# 0 AMB 20-2:28 95 ILE HA 4.50 (# 28:20 Single Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1618,1619,1620, 578, 579, 580, 582, 583, 584,
&end
#
# 95 ILE QD1 95 ILE HA 6.00 (# 29:20 Unique 1.85, 4.40 A)
&rst
ixpk= 29, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1625,1626,1627,
&end
#
# 67 ILE QG2 67 ILE HA 3.50 (# 30:20 Unique 2.57, 3.53 A)
&rst
ixpk= 30, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1164,1165,1166,
&end
#
# 44 LEU MDX 115 SER HB+ 6.00 (# 31:20 Unique 1.63, 3.94 A)
&rst
ixpk= 31, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1931,1932,
&end
#
# 0 AMB 20-2:32 90 SER HB- 4.50 (# 32:20 Single Ambig)
&rst
ixpk= 32, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
igr2=1550,1551,
&end
#
# 0 AMB 20-2:33 0 AMB 20-1:33 2.80 (# 33:20 Double Ambig)
&rst
ixpk= 33, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1832,1833,1834,1836,1837,1838, 808, 809, 810, 812,
813, 814,
igr2=1675, 804,
&end
#
# 0 AMB 20-2:34 12 THR HA 2.80 (# 34:20 Single Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 210, 211, 212, 127, 128,
&end
#
# 0 AMB 20-2:35 83 VAL HA 4.50 (# 35:20 Single Ambig)
&rst
ixpk= 35, nxpk= 20, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,1832,1833,1834,1836,1837,1838,
&end
#
# 6 THR MG2 6 THR HA 3.50 (# 36:20 Unique 2.36, 2.82 A)
&rst
ixpk= 36, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 89, 90, 91,
&end
#
# 17 VAL MGX 14 GLU HA 6.00 (# 37:20 Unique 3.61, 5.14 A)
&rst
ixpk= 37, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 64 ILE QG2 65 LYS HA 6.00 (# 38:20 Unique 2.90, 4.14 A)
&rst
ixpk= 38, nxpk= 20, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1104,1105,1106,
&end
#
# 0 AMB 20-2:39 38 TYR HA 3.50 (# 39:20 Single Ambig)
&rst
ixpk= 39, nxpk= 20, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
&end
#
# 0 AMB 20-2:40 71 LEU HA 3.50 (# 40:20 Single Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1253,1254, 853, 854,
&end
#
# 71 LEU MDY 71 LEU HA 2.80 (# 41:20 Unique 1.78, 3.78 A)
&rst
ixpk= 41, nxpk= 20, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:42 84 ASN HA 4.50 (# 42:20 Single Ambig)
&rst
ixpk= 42, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,1432,1433,
&end
#
# 31 ILE QD1 31 ILE HA 3.50 (# 43:20 Unique 1.98, 3.52 A)
&rst
ixpk= 43, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 552, 553, 554,
&end
#
# 44 LEU MDY 45 PRO HD+ 4.50 (# 46:20 Unique 2.84, 5.39 A)
&rst
ixpk= 46, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 778, 779, 780, 782, 783, 784,
igr2= 789, 790,
&end
#
# 73 LEU MDY 45 PRO HD+ 4.50 (# 47:20 Unique 1.52, 5.94 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 789, 790,
&end
#
# 44 LEU MDY 45 PRO HD- 4.50 (# 48:20 Unique 2.84, 5.39 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 778, 779, 780, 782, 783, 784,
igr2= 789, 790,
&end
#
# 73 LEU MDY 45 PRO HD- 4.50 (# 49:20 Unique 1.52, 5.94 A)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 789, 790,
&end
#
# 31 ILE QG2 32 PRO HD- 4.50 (# 50:20 Unique 2.39, 4.23 A)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 545, 546, 547,
igr2= 559, 560,
&end
#
# 0 AMB 20-2:51 0 AMB 20-1:51 2.80 (# 51:20 Double Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
igr2=1827,1828,1827,1828,
&end
#
# 0 AMB 20-2:52 0 AMB 20-1:52 6.00 (# 52:20 Double Ambig)
&rst
ixpk= 52, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 778, 779, 780, 782, 783, 784, 648, 649,
igr2= 651, 652, 651, 652,
&end
#
# 81 LEU MDY 113 TYR HB- 4.50 (# 53:20 Unique 1.75, 5.69 A)
&rst
ixpk= 53, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1418,1419,1420,1422,1423,1424,
igr2=1900,1901,
&end
#
# 0 AMB 20-2:54 52 PHE HB- 3.50 (# 54:20 Single Ambig)
&rst
ixpk= 54, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2181,2182,2183,2185,2186,2187, 578, 579, 580, 582,
583, 584, 578, 579, 580, 582, 583, 584,
igr2= 911, 912,
&end
#
# 0 AMB 20-2:55 0 AMB 20-1:55 3.50 (# 55:20 Double Ambig)
&rst
ixpk= 55, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 187, 188, 187, 188,
igr2= 190, 191, 190, 191,
&end
#
# 11 ARG HG- 0 AMB 20-1:56 4.50 (# 56:20 Single Ambig)
&rst
ixpk= 56, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 187, 188,
igr2= 190, 191, 190, 191,
&end
#
# 103 LYS HD+ 103 LYS HE+ 3.50 (# 57:20 Unique 2.22, 2.66 A)
&rst
ixpk= 57, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1745,1746,
igr2=1748,1749,
&end
#
# 103 LYS HD- 103 LYS HE- 3.50 (# 58:20 Unique 2.22, 2.66 A)
&rst
ixpk= 58, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1745,1746,
igr2=1748,1749,
&end
#
# 103 LYS HD+ 103 LYS HE- 3.50 (# 59:20 Unique 2.22, 2.66 A)
&rst
ixpk= 59, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1745,1746,
igr2=1748,1749,
&end
#
# 0 AMB 20-2:60 0 AMB 20-1:60 2.80 (# 60:20 Double Ambig)
&rst
ixpk= 60, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 856, 857, 856, 857,
igr2= 862, 863, 862, 863,
&end
#
# 0 AMB 20-2:61 0 AMB 20-1:61 4.50 (# 61:20 Double Ambig)
&rst
ixpk= 61, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2181,2182,2183,2185,2186,2187,1104,1105,1106,
igr2= 530, 531, 530, 531, 862, 863,1130,1131,1130,1131,
&end
#
# 22 LEU MDX 22 LEU HB+ 3.50 (# 62:20 Unique 2.32, 3.38 A)
&rst
ixpk= 62, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 386, 387, 388, 390, 391, 392,
igr2= 381, 382,
&end
#
# 8 LYS HD+ 8 LYS HE- 4.50 (# 63:20 Unique 2.22, 2.65 A)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 127, 128,
igr2= 130, 131,
&end
#
# 0 AMB 20-2:65 0 AMB 20-1:65 3.50 (# 65:20 Double Ambig)
&rst
ixpk= 65, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1088,1089,1090,1092,1093,1094,2212,2213,2214,2216,
2217,2218,
igr2=1083,1084,1083,1084,
&end
#
# 0 AMB 20-2:66 0 AMB 20-1:66 4.50 (# 66:20 Double Ambig)
&rst
ixpk= 66, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
igr2= 669, 670, 669, 670,
&end
#
# 31 ILE QD1 99 TYR HB- 6.00 (# 67:20 Unique 1.94, 3.99 A)
&rst
ixpk= 67, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 552, 553, 554,
igr2=1677,1678,
&end
#
# 0 AMB 20-2:68 84 ASN HB- 6.00 (# 68:20 Single Ambig)
&rst
ixpk= 68, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,1832,1833,1834,1836,1837,1838,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:69 0 AMB 20-1:69 4.50 (# 69:20 Double Ambig)
&rst
ixpk= 69, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,1432,1433,
igr2=1867,1868,1867,1868,1867,1868,1867,1868,
&end
#
# 0 AMB 20-2:70 0 AMB 20-1:70 3.50 (# 70:20 Double Ambig)
&rst
ixpk= 70, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 617, 618, 617, 618, 613, 614, 615,
igr2=1867,1868,1867,1868,1867,1868,
&end
#
# 0 AMB 20-2:71 112 VAL HB 2.80 (# 71:20 Single Ambig)
&rst
ixpk= 71, nxpk= 20, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1432,1433,1886,1887,1888,1890,1891,1892,1886,1887,
1888,1890,1891,1892,
&end
#
# 44 LEU MDY 77 GLN HG+ 4.50 (# 72:20 Unique 2.62, 5.92 A)
&rst
ixpk= 72, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1349,1350,
&end
#
# 73 LEU MDY 77 GLN HG+ 6.00 (# 73:20 Unique 1.56, 4.36 A)
&rst
ixpk= 73, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1349,1350,
&end
#
# 0 AMB 20-2:74 83 VAL HB 2.80 (# 74:20 Single Ambig)
&rst
ixpk= 74, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 20-2:75 0 AMB 20-1:75 2.80 (# 75:20 Double Ambig)
&rst
ixpk= 75, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,1832,1833,1834,1836,1837,1838,
igr2=1870,1871,1870,1871,1870,1871,1870,1871,
&end
#
# 0 AMB 20-2:76 46 VAL HB 2.80 (# 76:20 Single Ambig)
&rst
ixpk= 76, nxpk= 20, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 808, 809, 810, 812, 813, 814, 808, 809, 810, 812,
813, 814,
&end
#
# 0 AMB 20-2:77 0 AMB 20-1:77 2.80 (# 77:20 Double Ambig)
&rst
ixpk= 77, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1563,1564,1565,1567,1568,1569,1453,1454,1455,1457,
1458,1459,
igr2=1520,1521,1520,1521,1520,1521,
&end
#
# 0 AMB 20-2:78 0 AMB 20-1:78 6.00 (# 78:20 Double Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.85, r4=11.35,
igr1= 509, 510, 511, 187, 188,1622,1623,
igr2= 496, 497, 8, 9,1010,
&end
#
# 0 AMB 20-2:79 60 MET HG- 3.50 (# 79:20 Single Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
1668,1669,1663,1664,1665,1667,1668,1669,
igr2=1043,1044,
&end
#
# 0 AMB 20-2:80 0 AMB 20-1:80 6.00 (# 80:20 Double Ambig)
&rst
ixpk= 80, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1289,1290, 778, 779, 780, 782, 783, 784,
igr2=1346,1347, 756, 757,
&end
#
# 0 AMB 20-2:81 0 AMB 20-1:81 6.00 (# 81:20 Double Ambig)
&rst
ixpk= 81, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 343, 344, 345, 347, 348, 349, 409, 410, 411,
igr2= 357, 358, 458, 459,
&end
#
# 0 AMB 20-2:82 60 MET HB- 4.50 (# 82:20 Single Ambig)
&rst
ixpk= 82, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,
igr2=1040,1041,
&end
#
# 0 AMB 20-2:83 62 GLU HB- 2.80 (# 83:20 Single Ambig)
&rst
ixpk= 83, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1012,1013,1014,1016,1017,1018,2212,2213,2214,2216,
2217,2218,
igr2=1068,1069,
&end
#
# 0 AMB 20-2:84 0 AMB 20-1:84 3.50 (# 84:20 Double Ambig)
&rst
ixpk= 84, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1012,1013,1014,1016,1017,1018,2212,2213,2214,2216,
2217,2218,
igr2=1068,1069,1068,1069,
&end
#
# 73 LEU MDY 45 PRO HG+ 4.50 (# 85:20 Unique 1.85, 6.13 A)
&rst
ixpk= 85, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:86 0 AMB 20-1:86 3.50 (# 86:20 Double Ambig)
&rst
ixpk= 86, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
igr2= 792, 793, 825,
&end
#
# 0 AMB 20-2:88 60 MET ME 2.80 (# 88:20 Single Ambig)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1111,1112,1113,1453,1454,1455,1457,1458,1459,
igr2=1047,1048,1049,
&end
#
# 81 LEU MDX 60 MET ME 2.80 (# 89:20 Unique 2.65, 5.53 A)
&rst
ixpk= 89, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1418,1419,1420,1422,1423,1424,
igr2=1047,1048,1049,
&end
#
# 93 THR MG2 93 THR HB 2.80 (# 90:20 Unique 2.45, 2.65 A)
&rst
ixpk= 90, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1590,1591,1592,
&end
#
# 0 AMB 20-2:91 20 VAL HA 4.50 (# 91:20 Single Ambig)
&rst
ixpk= 91, nxpk= 20, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 341, 565, 566,
&end
#
# 0 AMB 20-2:92 98 VAL HA 4.50 (# 92:20 Single Ambig)
&rst
ixpk= 92, nxpk= 20, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1661,1646,1647,1524,1525,1526,
&end
#
# 16 ARG HB- 17 VAL HA 4.50 (# 93:20 Unique 3.78, 4.72 A)
&rst
ixpk= 93, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 274, 275,
&end
#
# 0 AMB 20-2:94 66 ILE HA 3.50 (# 94:20 Single Ambig)
&rst
ixpk= 94, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1143,1205,1206,
&end
#
# 0 AMB 20-2:95 0 AMB 20-1:95 6.00 (# 95:20 Double Ambig)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1698,1699,1698,1699,1698,1699,1661,1646,1647,
igr2=1713,1714,1713,1714,1713,1714,1713,1714,1713,1714,
&end
#
# 98 VAL HB 95 ILE HA 3.50 (# 96:20 Unique 2.51, 2.83 A)
&rst
ixpk= 96, nxpk= 20, iat=1661,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 ILE HB 95 ILE HA 4.50 (# 97:20 Unique 2.52, 2.58 A)
&rst
ixpk= 97, nxpk= 20, iat=1616,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:98 67 ILE HA 4.50 (# 98:20 Single Ambig)
&rst
ixpk= 98, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1229,1230,1229,1230,
&end
#
# 0 AMB 20-2:99 67 ILE HA 4.50 (# 99:20 Single Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1162,2176,2177,1232,1233,
&end
#
# 0 AMB 20-2:100 0 AMB 20-1:100 6.00 (# 100:20 Double Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 776,1945,1946,
igr2=1931,1932,1931,1932,
&end
#
# 78 ALA MB 115 SER HB+ 6.00 (# 101:20 Unique 1.62, 5.03 A)
&rst
ixpk= 101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1363,1364,1365,
igr2=1931,1932,
&end
#
# 0 AMB 20-2:102 0 AMB 20-1:102 4.50 (# 102:20 Double Ambig)
&rst
ixpk= 102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 776,1451, 25, 26, 25, 26, 8, 9,1945,1946,
igr2=1931,1932,1506,1507,1506,1507, 39, 40, 39, 40,
39, 40,
&end
#
# 0 AMB 20-2:103 0 AMB 20-1:103 6.00 (# 103:20 Double Ambig)
&rst
ixpk= 103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1010,1517,1518,
igr2=1008,1057,1058,
&end
#
# 14 GLU HB+ 14 GLU HA 4.50 (# 104:20 Unique 2.48, 2.76 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 242, 243,
&end
#
# 0 AMB 20-2:105 65 LYS HA 2.80 (# 105:20 Single Ambig)
&rst
ixpk= 105, nxpk= 20, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1121,1122,1121,1122,
&end
#
# 0 AMB 20-2:106 21 ARG HA 2.80 (# 106:20 Single Ambig)
&rst
ixpk= 106, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 357, 358, 419, 420,
&end
#
# 0 AMB 20-2:107 0 AMB 20-1:107 2.80 (# 107:20 Double Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 360, 361, 124, 125, 121, 122, 121, 122,
igr2= 355, 119,
&end
#
# 0 AMB 20-2:108 0 AMB 20-1:108 6.00 (# 108:20 Double Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 127, 128, 360, 361,
igr2= 119, 355,
&end
#
# 0 AMB 20-2:109 105 GLU HA 2.80 (# 109:20 Single Ambig)
&rst
ixpk= 109, nxpk= 20, iat= -1,1771, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1773,1774,1773,1774,
&end
#
# 0 AMB 20-2:110 100 GLU HA 2.80 (# 110:20 Single Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1698,1699,1698,1699,
&end
#
# 0 AMB 20-2:111 25 GLU HA 2.80 (# 111:20 Single Ambig)
&rst
ixpk= 111, nxpk= 20, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 443, 444, 443, 444,
&end
#
# 0 AMB 20-2:112 15 GLN HA 2.80 (# 112:20 Single Ambig)
&rst
ixpk= 112, nxpk= 20, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 314, 315, 314, 315,
&end
#
# 0 AMB 20-2:113 70 ARG HA 2.80 (# 113:20 Single Ambig)
&rst
ixpk= 113, nxpk= 20, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1229,1230,1229,1230,
&end
#
# 0 AMB 20-2:114 38 TYR HA 6.00 (# 114:20 Single Ambig)
&rst
ixpk= 114, nxpk= 20, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 690, 691, 645, 646,1921,1922,1923,1432,1433,
&end
#
# 0 AMB 20-2:115 24 ARG HA 3.50 (# 115:20 Single Ambig)
&rst
ixpk= 115, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 422, 423, 419, 420,
&end
#
# 24 ARG HG- 24 ARG HA 4.50 (# 116:20 Unique 2.27, 3.09 A)
&rst
ixpk= 116, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 422, 423,
&end
#
# 0 AMB 20-2:117 26 GLN HA 3.50 (# 117:20 Single Ambig)
&rst
ixpk= 117, nxpk= 20, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 461, 462, 443, 444, 443, 444,
&end
#
# 0 AMB 20-2:118 0 AMB 20-1:118 2.80 (# 118:20 Double Ambig)
&rst
ixpk= 118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 458, 459,1143,
igr2= 456,1081,
&end
#
# 10 ARG HB+ 10 ARG HA 6.00 (# 119:20 Unique 2.27, 2.44 A)
&rst
ixpk= 119, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 160, 161,
&end
#
# 0 AMB 20-2:120 10 ARG HA 4.50 (# 120:20 Single Ambig)
&rst
ixpk= 120, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 163, 164, 65, 66, 65, 66,
&end
#
# 10 ARG HB- 10 ARG HA 4.50 (# 121:20 Unique 2.27, 2.44 A)
&rst
ixpk= 121, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 160, 161,
&end
#
# 10 ARG HG- 10 ARG HA 4.50 (# 122:20 Unique 3.51, 3.72 A)
&rst
ixpk= 122, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 163, 164,
&end
#
# 117 GLU HG+ 117 GLU HA 6.00 (# 123:20 Unique 2.15, 3.35 A)
&rst
ixpk= 123, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1962,1963,
&end
#
# 0 AMB 20-2:124 0 AMB 20-1:124 6.00 (# 124:20 Double Ambig)
&rst
ixpk= 124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1108,1109, 381, 382,
igr2=1391, 327,
&end
#
# 4 GLU HG- 4 GLU HA 4.50 (# 125:20 Unique 2.07, 2.92 A)
&rst
ixpk= 125, nxpk= 20, iat= -1, 48, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 53, 54,
&end
#
# 0 AMB 20-2:126 4 GLU HA 2.80 (# 126:20 Single Ambig)
&rst
ixpk= 126, nxpk= 20, iat= -1, 48, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 50, 51, 806,
&end
#
# 0 AMB 20-2:127 4 GLU HA 3.50 (# 127:20 Single Ambig)
&rst
ixpk= 127, nxpk= 20, iat= -1, 48, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 50, 51, 8, 9,
&end
#
# 0 AMB 20-2:128 72 GLN HA 2.80 (# 128:20 Single Ambig)
&rst
ixpk= 128, nxpk= 20, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1275,1276,1275,1276,1272,1273,
&end
#
# 0 AMB 20-2:129 71 LEU HA 4.50 (# 129:20 Single Ambig)
&rst
ixpk= 129, nxpk= 20, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1253,1254, 859, 860, 853, 854,
&end
#
# 78 ALA MB 78 ALA HA 2.80 (# 131:20 Unique 2.44, 2.64 A)
&rst
ixpk= 131, nxpk= 20, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1363,1364,1365,
&end
#
# 0 AMB 20-2:132 0 AMB 20-1:132 2.80 (# 132:20 Double Ambig)
&rst
ixpk= 132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1602,1603, 966, 967,1605,1606,2243,2244,1646,1647,
igr2=1599,1600, 963, 964,1599,1600, 963, 964,1599,1600,
&end
#
# 93 THR MG2 94 PRO HD+ 4.50 (# 133:20 Unique 2.25, 4.24 A)
&rst
ixpk= 133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1590,1591,1592,
igr2=1599,1600,
&end
#
# 0 AMB 20-2:134 94 PRO HD- 2.80 (# 134:20 Single Ambig)
&rst
ixpk= 134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1602,1603,1602,1603,1605,1606,1646,1647,
igr2=1599,1600,
&end
#
# 93 THR MG2 94 PRO HD- 4.50 (# 135:20 Unique 2.25, 4.24 A)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1590,1591,1592,
igr2=1599,1600,
&end
#
# 0 AMB 20-2:136 0 AMB 20-1:136 3.50 (# 136:20 Double Ambig)
&rst
ixpk= 136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 25, 26, 25, 26,
igr2= 22, 23, 22, 23,
&end
#
# 0 AMB 20-2:137 0 AMB 20-1:137 4.50 (# 137:20 Double Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 792, 793,1346,1347,
igr2= 789, 790, 789, 790,
&end
#
# 0 AMB 20-2:138 45 PRO HD- 4.50 (# 138:20 Single Ambig)
&rst
ixpk= 138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 792, 793,1346,1347,
igr2= 789, 790,
&end
#
# 45 PRO HG- 45 PRO HD- 3.50 (# 139:20 Unique 2.31, 2.57 A)
&rst
ixpk= 139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 792, 793,
igr2= 789, 790,
&end
#
# 44 LEU HB- 45 PRO HD- 4.50 (# 140:20 Unique 2.00, 3.78 A)
&rst
ixpk= 140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 773, 774,
igr2= 789, 790,
&end
#
# 28 PRO HB- 28 PRO HD+ 4.50 (# 141:20 Unique 2.98, 3.70 A)
&rst
ixpk= 141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 496, 497,
igr2= 490, 491,
&end
#
# 0 AMB 20-2:142 0 AMB 20-1:142 3.50 (# 142:20 Double Ambig)
&rst
ixpk= 142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 493, 494, 493, 494,
igr2= 490, 491, 490, 491,
&end
#
# 0 AMB 20-2:143 32 PRO HD- 6.00 (# 143:20 Single Ambig)
&rst
ixpk= 143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 562, 563, 422, 423,
igr2= 559, 560,
&end
#
# 28 PRO HB- 28 PRO HD- 3.50 (# 144:20 Unique 2.98, 3.70 A)
&rst
ixpk= 144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 496, 497,
igr2= 490, 491,
&end
#
# 0 AMB 20-2:145 28 PRO HD- 4.50 (# 145:20 Single Ambig)
&rst
ixpk= 145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 493, 494, 493, 494,
igr2= 490, 491,
&end
#
# 37 ARG HG+ 37 ARG HD+ 4.50 (# 146:20 Unique 2.22, 2.63 A)
&rst
ixpk= 146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 648, 649,
igr2= 651, 652,
&end
#
# 37 ARG HB+ 37 ARG HD- 4.50 (# 147:20 Unique 2.02, 3.13 A)
&rst
ixpk= 147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 645, 646,
igr2= 651, 652,
&end
#
# 21 ARG HB- 21 ARG HD+ 4.50 (# 148:20 Unique 2.01, 3.13 A)
&rst
ixpk= 148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 357, 358,
igr2= 363, 364,
&end
#
# 21 ARG HG- 21 ARG HD+ 4.50 (# 149:20 Unique 2.22, 2.67 A)
&rst
ixpk= 149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 360, 361,
igr2= 363, 364,
&end
#
# 0 AMB 20-2:150 0 AMB 20-1:150 2.80 (# 150:20 Double Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 740, 741, 740, 741, 740, 741,
igr2= 743, 744, 743, 744, 743, 744,
&end
#
# 0 AMB 20-2:151 0 AMB 20-1:151 6.00 (# 151:20 Double Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1253,1254,1416,
igr2=1373,1374,1373,1374,
&end
#
# 0 AMB 20-2:153 0 AMB 20-1:153 4.50 (# 153:20 Double Ambig)
&rst
ixpk= 153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1921,1922,1923,1432,1433,
igr2= 669, 670, 669, 670,
&end
#
# 0 AMB 20-2:154 38 TYR HB- 6.00 (# 154:20 Single Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1921,1922,1923,1432,1433,
igr2= 669, 670,
&end
#
# 88 MET HB- 0 AMB 20-1:155 2.80 (# 155:20 Single Ambig)
&rst
ixpk= 155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1517,1518,
igr2=1043,1044,1043,1044,
&end
#
# 94 PRO HB+ 94 PRO HA 4.50 (# 156:20 Unique 2.31, 2.52 A)
&rst
ixpk= 156, nxpk= 20, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1605,1606,
&end
#
# 13 PHE HB- 13 PHE HA 6.00 (# 157:20 Unique 2.34, 2.78 A)
&rst
ixpk= 157, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 222, 223,
&end
#
# 0 AMB 20-2:158 16 ARG HA 6.00 (# 158:20 Single Ambig)
&rst
ixpk= 158, nxpk= 20, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 329, 330, 329, 330,
&end
#
# 0 AMB 20-2:159 0 AMB 20-1:159 6.00 (# 159:20 Double Ambig)
&rst
ixpk= 159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 980, 981, 980, 981, 980, 981,
igr2=1635,1636,1635,1636,1633,
&end
#
# 14 GLU HG+ 14 GLU HA 6.00 (# 160:20 Unique 2.31, 2.96 A)
&rst
ixpk= 160, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 245, 246,
&end
#
# 14 GLU HG- 14 GLU HA 4.50 (# 161:20 Unique 2.31, 2.96 A)
&rst
ixpk= 161, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 245, 246,
&end
#
# 0 AMB 20-2:162 105 GLU HA 4.50 (# 162:20 Single Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1,1771, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1776,1777,1776,1777,
&end
#
# 103 LYS HE+ 100 GLU HA 4.50 (# 163:20 Unique 2.90, 5.19 A)
&rst
ixpk= 163, nxpk= 20, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1748,1749,
&end
#
# 0 AMB 20-2:164 100 GLU HA 4.50 (# 164:20 Single Ambig)
&rst
ixpk= 164, nxpk= 20, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1701,1702,1701,1702,
&end
#
# 0 AMB 20-2:165 0 AMB 20-1:165 2.80 (# 165:20 Double Ambig)
&rst
ixpk= 165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 446, 447, 257, 258,
igr2= 441, 255,
&end
#
# 68 ARG HA 70 ARG HA 8.00 (# 167:20 Unique 6.56, 6.80 A)
&rst
ixpk= 167, nxpk= 20, iat=1179,1227, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 38 TYR HB- 38 TYR HA 4.50 (# 168:20 Unique 2.29, 2.43 A)
&rst
ixpk= 168, nxpk= 20, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 669, 670,
&end
#
# 119 PHE HB+ 119 PHE HA 3.50 (# 169:20 Unique 2.37, 2.60 A)
&rst
ixpk= 169, nxpk= 20, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1988,1989,
&end
#
# 0 AMB 20-2:170 0 AMB 20-1:170 4.50 (# 170:20 Double Ambig)
&rst
ixpk= 170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1393,1394,2089,2090,2101,2102,
igr2=1391, 327,
&end
#
# 119 PHE HB- 119 PHE HA 4.50 (# 171:20 Unique 2.37, 2.60 A)
&rst
ixpk= 171, nxpk= 20, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1988,1989,
&end
#
# 80 PHE HB- 80 PHE HA 6.00 (# 172:20 Unique 2.37, 2.77 A)
&rst
ixpk= 172, nxpk= 20, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1393,1394,
&end
#
# 0 AMB 20-2:173 41 GLU HA 3.50 (# 173:20 Single Ambig)
&rst
ixpk= 173, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 719, 720, 722, 723,
&end
#
# 32 PRO HD- 31 ILE HA 4.50 (# 174:20 Unique 1.91, 2.15 A)
&rst
ixpk= 174, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 559, 560,
&end
#
# 32 PRO HG+ 32 PRO HD- 6.00 (# 177:20 Unique 2.31, 2.57 A)
&rst
ixpk= 177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 562, 563,
igr2= 559, 560,
&end
#
# 0 AMB 20-2:178 28 PRO HD- 6.00 (# 178:20 Single Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 496, 497, 446, 447,
igr2= 490, 491,
&end
#
# 63 LEU HG 63 LEU HB+ 4.50 (# 180:20 Unique 2.30, 2.78 A)
&rst
ixpk= 180, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1083,1084,
&end
#
# 73 LEU HB+ 77 GLN HG+ 6.00 (# 181:20 Unique 1.93, 3.84 A)
&rst
ixpk= 181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1289,1290,
igr2=1349,1350,
&end
#
# 93 THR MG2 97 GLU HB- 3.50 (# 182:20 Unique 2.31, 4.23 A)
&rst
ixpk= 182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1590,1591,1592,
igr2=1646,1647,
&end
#
# 0 AMB 20-2:183 0 AMB 20-1:183 3.50 (# 183:20 Double Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1432,1433,1432,1433,
&end
#
# 0 AMB 20-2:184 0 AMB 20-1:184 4.50 (# 184:20 Double Ambig)
&rst
ixpk= 184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1294,1295,1296,1298,1299,1300,1258,1259,1260,1262,
1263,1264,
igr2=1253,1254,1253,1254,
&end
#
# 0 AMB 20-2:185 71 LEU HB- 4.50 (# 185:20 Single Ambig)
&rst
ixpk= 185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1294,1295,1296,1298,1299,1300,1258,1259,1260,1262,
1263,1264,
igr2=1253,1254,
&end
#
# 0 AMB 20-2:186 63 LEU HB- 2.80 (# 186:20 Single Ambig)
&rst
ixpk= 186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1088,1089,1090,1092,1093,1094,2212,2213,2214,2216,
2217,2218,
igr2=1083,1084,
&end
#
# 31 ILE QG2 31 ILE HB 3.50 (# 187:20 Unique 2.44, 2.65 A)
&rst
ixpk= 187, nxpk= 20, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 545, 546, 547,
&end
#
# 34 ILE QG2 34 ILE HB 6.00 (# 188:20 Unique 2.44, 2.64 A)
&rst
ixpk= 188, nxpk= 20, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 594, 595, 596,
&end
#
# 17 VAL MGX 17 VAL HB 2.80 (# 189:20 Unique 2.44, 2.64 A)
&rst
ixpk= 189, nxpk= 20, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 17 VAL MGY 17 VAL HB 3.50 (# 190:20 Unique 2.44, 2.64 A)
&rst
ixpk= 190, nxpk= 20, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 20 VAL MGY 0 AMB 20-1:191 3.50 (# 191:20 Single Ambig)
&rst
ixpk= 191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 565, 566, 341,
&end
#
# 0 AMB 20-2:194 0 AMB 20-1:194 3.50 (# 194:20 Double Ambig)
&rst
ixpk= 194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 343, 344, 345, 347, 348, 349,1152,1153,1154,
igr2= 562, 563,1232,1233, 422, 423,
&end
#
# 71 LEU MDY 71 LEU HG 3.50 (# 195:20 Unique 2.44, 2.64 A)
&rst
ixpk= 195, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1258,1259,1260,1262,1263,1264,
&end
#
# 73 LEU MDY 73 LEU HG 4.50 (# 196:20 Unique 2.44, 2.64 A)
&rst
ixpk= 196, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 20-2:197 114 ALA MB 4.50 (# 197:20 Single Ambig)
&rst
ixpk= 197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1921,1922,1923,
&end
#
# 131 VAL MGY 0 AMB 20-1:198 6.00 (# 198:20 Single Ambig)
&rst
ixpk= 198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=2162,2163,2164,2166,2167,2168,
igr2= 856, 857, 856, 857,
&end
#
# 31 ILE QG2 111 MET ME 6.00 (# 200:20 Unique 5.42, 7.37 A)
&rst
ixpk= 200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 545, 546, 547,
igr2=1874,1875,1876,
&end
#
# 0 AMB 20-2:201 111 MET ME 2.80 (# 201:20 Single Ambig)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,1832,1833,1834,1836,1837,1838,
igr2=1874,1875,1876,
&end
#
# 0 AMB 20-2:202 0 AMB 20-1:202 3.50 (# 202:20 Double Ambig)
&rst
ixpk= 202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
1423,1424,
igr2=1413,1414,1413,1414,
&end
#
# 22 LEU MDY 22 LEU HB- 2.80 (# 205:20 Unique 2.32, 3.38 A)
&rst
ixpk= 205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 386, 387, 388, 390, 391, 392,
igr2= 381, 382,
&end
#
# 109 LEU MDY 102 GLU HB- 2.80 (# 208:20 Unique 1.61, 4.03 A)
&rst
ixpk= 208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1832,1833,1834,1836,1837,1838,
igr2=1724,1725,
&end
#
# 81 LEU MDY 35 ILE HG1- 2.80 (# 209:20 Unique 2.13, 5.10 A)
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1418,1419,1420,1422,1423,1424,
igr2= 617, 618,
&end
#
# 22 LEU MDX 22 LEU HG 2.80 (# 211:20 Unique 2.44, 2.64 A)
&rst
ixpk= 211, nxpk= 20, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 386, 387, 388, 390, 391, 392,
&end
#
# 0 AMB 20-2:212 114 ALA MB 6.00 (# 212:20 Single Ambig)
&rst
ixpk= 212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1=1432,1433,1886,1887,1888,1890,1891,1892,1886,1887,
1888,1890,1891,1892,
igr2=1921,1922,1923,
&end
#
# 63 LEU MDY 111 MET ME 2.80 (# 213:20 Unique 1.99, 4.87 A)
&rst
ixpk= 213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1088,1089,1090,1092,1093,1094,
igr2=1874,1875,1876,
&end
#
# 44 LEU MDX 44 LEU HB+ 4.50 (# 214:20 Unique 2.32, 3.26 A)
&rst
ixpk= 214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 778, 779, 780, 782, 783, 784,
igr2= 773, 774,
&end
#
# 98 VAL MGY 95 ILE HB 4.50 (# 215:20 Unique 5.05, 6.33 A)
&rst
ixpk= 215, nxpk= 20, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1663,1664,1665,1667,1668,1669,
&end
#
# 117 GLU HB- 117 GLU HG+ 4.50 (# 216:20 Unique 2.21, 2.69 A)
&rst
ixpk= 216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1959,1960,
igr2=1962,1963,
&end
#
# 95 ILE HG1+ 111 MET ME 6.00 (# 217:20 Unique 2.71, 4.21 A)
&rst
ixpk= 217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1622,1623,
igr2=1874,1875,1876,
&end
#
# 32 PRO HD+ 31 ILE HA 3.50 (# 218:20 Unique 1.91, 2.15 A)
&rst
ixpk= 218, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 559, 560,
&end
#
# 94 PRO HD+ 93 THR HA 6.00 (# 221:20 Unique 2.20, 2.29 A)
&rst
ixpk= 221, nxpk= 20, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1599,1600,
&end
#
# 63 LEU HA 63 LEU HB- 6.00 (# 223:20 Unique 2.29, 2.51 A)
&rst
ixpk= 223, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1083,1084,
&end
#
# 0 AMB 20-2:226 0 AMB 20-1:226 4.50 (# 226:20 Double Ambig)
&rst
ixpk= 226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1373,1374,1187,1188,1748,1749,
igr2=1184,1185,1745,1746,
&end
#
# 66 ILE HA 66 ILE HG1+ 6.00 (# 227:20 Unique 2.17, 2.99 A)
&rst
ixpk= 227, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:228 0 AMB 20-1:228 4.50 (# 228:20 Double Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1143,1205,1206,
igr2=1149,1150,1149,1150,
&end
#
# 0 AMB 20-2:229 44 LEU MDX 6.00 (# 229:20 Single Ambig)
&rst
ixpk= 229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 759, 760,1900,1901,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 44 LEU HG 44 LEU MDX 4.50 (# 230:20 Unique 2.44, 2.64 A)
&rst
ixpk= 230, nxpk= 20, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 63 LEU HA 63 LEU MDX 6.00 (# 231:20 Unique 1.74, 4.55 A)
&rst
ixpk= 231, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 63 LEU HB+ 63 LEU MDX 4.50 (# 232:20 Unique 2.32, 3.24 A)
&rst
ixpk= 232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1083,1084,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 60 MET ME 63 LEU MDX 3.50 (# 233:20 Unique 1.86, 4.48 A)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1047,1048,1049,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 20-2:235 0 AMB 20-1:235 4.50 (# 235:20 Double Ambig)
&rst
ixpk= 235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 190, 191, 190, 191,
igr2= 187, 188, 187, 188,
&end
#
# 68 ARG HA 73 LEU MDX 6.00 (# 236:20 Unique 2.15, 5.88 A)
&rst
ixpk= 236, nxpk= 20, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 20-2:237 73 LEU MDX 6.00 (# 237:20 Single Ambig)
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1373,1374,1187,1188,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 113 TYR HB- 81 LEU MDX 6.00 (# 238:20 Unique 1.75, 5.69 A)
&rst
ixpk= 238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1900,1901,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 0 AMB 20-2:239 81 LEU MDX 2.80 (# 239:20 Single Ambig)
&rst
ixpk= 239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1867,1868,1867,1868,1047,1048,1049,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 0 AMB 20-2:240 0 AMB 20-1:240 4.50 (# 240:20 Double Ambig)
&rst
ixpk= 240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 74, 75, 74, 75,1130,1131,1130,1131,
igr2= 68, 69,1124,1125,
&end
#
# 0 AMB 20-2:241 22 LEU MDX 2.80 (# 241:20 Single Ambig)
&rst
ixpk= 241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 314, 315, 314, 315,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 22 LEU HB+ 22 LEU MDX 2.80 (# 242:20 Unique 2.32, 3.38 A)
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 381, 382,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 0 AMB 20-2:243 0 AMB 20-1:243 6.00 (# 243:20 Double Ambig)
&rst
ixpk= 243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1=1900,1901, 841, 842,
igr2=1418,1419,1420,1422,1423,1424, 827, 828, 829, 831,
832, 833, 827, 828, 829, 831, 832, 833,
&end
#
# 0 AMB 20-2:244 0 AMB 20-1:244 3.50 (# 244:20 Double Ambig)
&rst
ixpk= 244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 862, 863, 862, 863, 862, 863, 651, 652,
igr2= 856, 857, 856, 857, 856, 857, 778, 779, 780, 782,
783, 784,
&end
#
# 43 GLN HB- 44 LEU MDY 6.00 (# 245:20 Unique 2.92, 5.59 A)
&rst
ixpk= 245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 756, 757,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:246 71 LEU MDY 2.80 (# 246:20 Single Ambig)
&rst
ixpk= 246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 825, 822, 823,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 106 ASP HB+ 17 VAL MGY 6.00 (# 247:20 Unique 1.85, 5.24 A)
&rst
ixpk= 247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1788,1789,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 17 VAL HA 17 VAL MGY 2.80 (# 248:20 Unique 2.37, 3.13 A)
&rst
ixpk= 248, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 50 THR HB 50 THR MG2 4.50 (# 249:20 Unique 2.45, 2.65 A)
&rst
ixpk= 249, nxpk= 20, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 877, 878, 879,
&end
#
# 103 LYS HE- 0 AMB 20-1:250 4.50 (# 250:20 Single Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1748,1749,
igr2=1742,1743,1742,1743,
&end
#
# 98 VAL HA 98 VAL MGY 2.80 (# 251:20 Unique 2.45, 3.12 A)
&rst
ixpk= 251, nxpk= 20, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 0 AMB 20-2:252 98 VAL MGY 2.80 (# 252:20 Single Ambig)
&rst
ixpk= 252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1661,1524,1525,1526,1646,1647,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 0 AMB 20-2:254 98 VAL MGY 2.80 (# 254:20 Single Ambig)
&rst
ixpk= 254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1043,1044,1043,1044,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 38 TYR HB+ 112 VAL MGY 4.50 (# 255:20 Unique 2.44, 4.42 A)
&rst
ixpk= 255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 669, 670,
igr2=1886,1887,1888,1890,1891,1892,
&end
#
# 0 AMB 20-2:256 6 THR MG2 6.00 (# 256:20 Single Ambig)
&rst
ixpk= 256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 633, 634, 633, 634,
igr2= 89, 90, 91,
&end
#
# 0 AMB 20-2:257 0 AMB 20-1:257 2.80 (# 257:20 Double Ambig)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1659,1588,
igr2=1663,1664,1665,1667,1668,1669,1563,1564,1565,1567,
1568,1569,
&end
#
# 0 AMB 20-2:258 0 AMB 20-1:258 2.80 (# 258:20 Double Ambig)
&rst
ixpk= 258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1524,1525,1526,1517,1518,1661,
igr2=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
1668,1669,
&end
#
# 0 AMB 20-2:260 0 AMB 20-1:260 2.80 (# 260:20 Double Ambig)
&rst
ixpk= 260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1727,1728,1724,1725,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 107 GLY HA- 20 VAL MGY 4.50 (# 261:20 Unique 2.51, 5.86 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1798,1799,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 32 PRO HG+ 20 VAL MGY 6.00 (# 262:20 Unique 1.60, 4.04 A)
&rst
ixpk= 262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 562, 563,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:263 20 VAL MGY 6.00 (# 263:20 Single Ambig)
&rst
ixpk= 263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 419, 420, 357, 358,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 107 GLY HA- 20 VAL MGX 6.00 (# 264:20 Unique 2.51, 5.86 A)
&rst
ixpk= 264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1798,1799,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:265 20 VAL MGX 3.50 (# 265:20 Single Ambig)
&rst
ixpk= 265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 339, 329, 330, 329, 330,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 32 PRO HG+ 20 VAL MGX 6.00 (# 266:20 Unique 1.60, 4.04 A)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 562, 563,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:267 0 AMB 20-1:267 2.80 (# 267:20 Double Ambig)
&rst
ixpk= 267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1040,1041,1727,1728,1561,1724,1725,
igr2=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
1668,1669,
&end
#
# 0 AMB 20-2:268 58 VAL MGY 2.80 (# 268:20 Single Ambig)
&rst
ixpk= 268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1008,1081,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 58 VAL HB 58 VAL MGY 2.80 (# 269:20 Unique 2.44, 2.64 A)
&rst
ixpk= 269, nxpk= 20, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 28 PRO HB+ 29 THR MG2 6.00 (# 271:20 Unique 3.87, 5.65 A)
&rst
ixpk= 271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 496, 497,
igr2= 509, 510, 511,
&end
#
# 28 PRO HB- 29 THR MG2 4.50 (# 272:20 Unique 3.87, 5.65 A)
&rst
ixpk= 272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 496, 497,
igr2= 509, 510, 511,
&end
#
# 0 AMB 20-2:273 29 THR MG2 4.50 (# 273:20 Single Ambig)
&rst
ixpk= 273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 493, 494, 493, 494,
igr2= 509, 510, 511,
&end
#
# 0 AMB 20-2:275 0 AMB 20-1:275 2.80 (# 275:20 Double Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1083,1084, 806,
igr2= 952, 953, 954, 956, 957, 958, 808, 809, 810, 812,
813, 814,
&end
#
# 89 VAL HB 0 AMB 20-1:276 2.80 (# 276:20 Single Ambig)
&rst
ixpk= 276, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 17 VAL HA 17 VAL MGX 2.80 (# 277:20 Unique 2.37, 3.13 A)
&rst
ixpk= 277, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 46 VAL HB 46 VAL MGX 2.80 (# 278:20 Unique 2.44, 2.64 A)
&rst
ixpk= 278, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 0 AMB 20-2:279 91 VAL MGX 4.50 (# 279:20 Single Ambig)
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1524,1525,1526,1517,1518,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 0 AMB 20-2:280 91 VAL MGX 2.80 (# 280:20 Single Ambig)
&rst
ixpk= 280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1040,1041,1561,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 0 AMB 20-2:284 75 ALA MB 6.00 (# 284:20 Single Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1308,1309,1332,1333,1332,1333,
igr2=1322,1323,1324,
&end
#
# 67 ILE HA 67 ILE QG2 4.50 (# 285:20 Unique 2.57, 3.53 A)
&rst
ixpk= 285, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1164,1165,1166,
&end
#
# 56 ASP HA 95 ILE QG2 3.50 (# 286:20 Unique 2.68, 3.45 A)
&rst
ixpk= 286, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1618,1619,1620,
&end
#
# 64 ILE HA 64 ILE QG2 4.50 (# 287:20 Unique 2.54, 3.30 A)
&rst
ixpk= 287, nxpk= 20, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1104,1105,1106,
&end
#
# 68 ARG HD+ 64 ILE QG2 6.00 (# 288:20 Unique 3.65, 6.62 A)
&rst
ixpk= 288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1187,1188,
igr2=1104,1105,1106,
&end
#
# 0 AMB 20-2:289 64 ILE QG2 2.80 (# 289:20 Single Ambig)
&rst
ixpk= 289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1102,1121,1122,
igr2=1104,1105,1106,
&end
#
# 0 AMB 20-2:290 31 ILE QG2 6.00 (# 290:20 Single Ambig)
&rst
ixpk= 290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 559, 560,1807,1808,
igr2= 545, 546, 547,
&end
#
# 32 PRO HD- 31 ILE QG2 6.00 (# 291:20 Unique 2.39, 4.23 A)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 559, 560,
igr2= 545, 546, 547,
&end
#
# 99 TYR HB+ 31 ILE QG2 6.00 (# 292:20 Unique 1.86, 3.43 A)
&rst
ixpk= 292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1677,1678,
igr2= 545, 546, 547,
&end
#
# 99 TYR HB- 31 ILE QG2 6.00 (# 293:20 Unique 1.86, 3.43 A)
&rst
ixpk= 293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1677,1678,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:295 34 ILE QG2 4.50 (# 295:20 Single Ambig)
&rst
ixpk= 295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 633, 634, 633, 634,
igr2= 594, 595, 596,
&end
#
# 0 AMB 20-2:297 95 ILE QD1 3.50 (# 297:20 Single Ambig)
&rst
ixpk= 297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 950,1047,1048,1049,
igr2=1625,1626,1627,
&end
#
# 64 ILE HA 64 ILE QD1 6.00 (# 298:20 Unique 3.15, 4.51 A)
&rst
ixpk= 298, nxpk= 20, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1111,1112,1113,
&end
#
# 88 MET HB+ 64 ILE QD1 6.00 (# 299:20 Unique 2.14, 4.63 A)
&rst
ixpk= 299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1517,1518,
igr2=1111,1112,1113,
&end
#
# 0 AMB 20-2:300 64 ILE QD1 2.80 (# 300:20 Single Ambig)
&rst
ixpk= 300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1047,1048,1049,1102,1108,1109,
igr2=1111,1112,1113,
&end
#
# 66 ILE HB 66 ILE QD1 3.50 (# 301:20 Unique 2.42, 3.79 A)
&rst
ixpk= 301, nxpk= 20, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1152,1153,1154,
&end
#
# 66 ILE HA 66 ILE QD1 6.00 (# 302:20 Unique 3.31, 4.27 A)
&rst
ixpk= 302, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1152,1153,1154,
&end
#
# 99 TYR HB+ 31 ILE QD1 6.00 (# 303:20 Unique 1.94, 3.99 A)
&rst
ixpk= 303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1677,1678,
igr2= 552, 553, 554,
&end
#
# 99 TYR HB- 31 ILE QD1 6.00 (# 304:20 Unique 1.94, 3.99 A)
&rst
ixpk= 304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1677,1678,
igr2= 552, 553, 554,
&end
#
# 56 ASP HB+ 31 ILE QD1 6.00 (# 305:20 Unique 2.46, 4.55 A)
&rst
ixpk= 305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 980, 981,
igr2= 552, 553, 554,
&end
#
# 56 ASP HB- 31 ILE QD1 6.00 (# 306:20 Unique 2.46, 4.55 A)
&rst
ixpk= 306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 980, 981,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:307 82 LEU HB- 6.00 (# 307:20 Single Ambig)
&rst
ixpk= 307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1477,1447,
igr2=1432,1433,
&end
#
# 82 LEU HA 82 LEU HB- 6.00 (# 308:20 Unique 2.20, 2.65 A)
&rst
ixpk= 308, nxpk= 20, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1432,1433,
&end
#
# 71 LEU HA 71 LEU HB- 6.00 (# 309:20 Unique 2.26, 2.69 A)
&rst
ixpk= 309, nxpk= 20, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1253,1254,
&end
#
# 73 LEU HA 73 LEU HB+ 6.00 (# 310:20 Unique 2.30, 2.71 A)
&rst
ixpk= 310, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1289,1290,
&end
#
# 73 LEU HN 73 LEU HB- 6.00 (# 311:20 Unique 2.39, 3.14 A)
&rst
ixpk= 311, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1289,1290,
&end
#
# 64 ILE HN 63 LEU HB- 4.50 (# 312:20 Unique 2.31, 3.58 A)
&rst
ixpk= 312, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1083,1084,
&end
#
# 49 LYS HA 49 LYS HB- 6.00 (# 313:20 Unique 2.29, 2.76 A)
&rst
ixpk= 313, nxpk= 20, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:314 44 LEU MDX 6.00 (# 314:20 Single Ambig)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1919, 771,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 79 PHE HE 71 LEU MDX 4.50 (# 315:20 Unique 1.95, 6.77 A)
&rst
ixpk= 315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1379,1383,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 99 TYR HD 109 LEU MDX 6.00 (# 316:20 Unique 2.20, 5.71 A)
&rst
ixpk= 316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1681,1690,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 99 TYR HA 109 LEU MDX 6.00 (# 317:20 Unique 1.60, 3.34 A)
&rst
ixpk= 317, nxpk= 20, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 71 LEU HN 71 LEU HG 6.00 (# 318:20 Unique 1.93, 2.61 A)
&rst
ixpk= 318, nxpk= 20, iat=1249,1256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 79 PHE HD 73 LEU MDX 6.00 (# 319:20 Unique 1.80, 5.19 A)
&rst
ixpk= 319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1377,1385,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 81 LEU HA 81 LEU MDX 6.00 (# 320:20 Unique 1.80, 3.69 A)
&rst
ixpk= 320, nxpk= 20, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 5 LYS HA 5 LYS HG- 6.00 (# 321:20 Unique 2.02, 2.92 A)
&rst
ixpk= 321, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 68, 69,
&end
#
# 19 ASP HA 22 LEU MDX 6.00 (# 322:20 Unique 1.72, 3.53 A)
&rst
ixpk= 322, nxpk= 20, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 0 AMB 20-2:324 0 AMB 20-1:324 4.50 (# 324:20 Double Ambig)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1904,1913,1280,1281,
igr2=1418,1419,1420,1422,1423,1424, 827, 828, 829, 831,
832, 833, 827, 828, 829, 831, 832, 833,
&end
#
# 82 LEU HN 0 AMB 20-1:327 6.00 (# 327:20 Single Ambig)
&rst
ixpk= 327, nxpk= 20, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 49 LYS HA 0 AMB 20-1:329 4.50 (# 329:20 Single Ambig)
&rst
ixpk= 329, nxpk= 20, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 856, 857, 856, 857,
&end
#
# 63 LEU HA 63 LEU MDY 2.80 (# 330:20 Unique 1.74, 4.55 A)
&rst
ixpk= 330, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 20-2:331 71 LEU MDY 6.00 (# 331:20 Single Ambig)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1249,1268,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 47 LEU HA 71 LEU MDY 6.00 (# 332:20 Unique 4.44, 6.93 A)
&rst
ixpk= 332, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 71 LEU HA 71 LEU MDY 2.80 (# 333:20 Unique 1.78, 3.78 A)
&rst
ixpk= 333, nxpk= 20, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:334 33 VAL MGY 3.50 (# 334:20 Single Ambig)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 574, 568,
igr2= 578, 579, 580, 582, 583, 584,
&end
#
# 17 VAL HN 17 VAL MGY 4.50 (# 335:20 Unique 2.16, 3.89 A)
&rst
ixpk= 335, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 18 GLU HN 17 VAL MGY 6.00 (# 336:20 Unique 2.49, 4.22 A)
&rst
ixpk= 336, nxpk= 20, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 13 PHE HE 17 VAL MGY 4.50 (# 337:20 Unique 2.03, 6.32 A)
&rst
ixpk= 337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 228, 232,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 20-2:338 17 VAL MGY 3.50 (# 338:20 Single Ambig)
&rst
ixpk= 338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 312,1786,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 13 PHE HA 17 VAL MGY 6.00 (# 339:20 Unique 2.77, 5.64 A)
&rst
ixpk= 339, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 20-2:340 50 THR MG2 4.50 (# 340:20 Single Ambig)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 628, 6,
igr2= 877, 878, 879,
&end
#
# 34 ILE HN 0 AMB 20-1:341 6.00 (# 341:20 Single Ambig)
&rst
ixpk= 341, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
&end
#
# 74 ASN HN 73 LEU MDY 6.00 (# 343:20 Unique 3.48, 5.67 A)
&rst
ixpk= 343, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 73 LEU HN 73 LEU MDY 6.00 (# 344:20 Unique 1.62, 4.32 A)
&rst
ixpk= 344, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 44 LEU HA 73 LEU MDY 6.00 (# 345:20 Unique 2.57, 6.28 A)
&rst
ixpk= 345, nxpk= 20, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 20-2:346 0 AMB 20-1:346 3.50 (# 346:20 Double Ambig)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1287,2238,
igr2=1294,1295,1296,1298,1299,1300,1012,1013,1014,1016,
1017,1018,
&end
#
# 99 TYR HN 98 VAL MGY 6.00 (# 348:20 Unique 3.26, 4.53 A)
&rst
ixpk= 348, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 0 AMB 20-2:349 98 VAL MGY 3.50 (# 349:20 Single Ambig)
&rst
ixpk= 349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1614,1713,1714,1713,1714,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 13 PHE HN 12 THR MG2 6.00 (# 350:20 Unique 3.41, 4.09 A)
&rst
ixpk= 350, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 210, 211, 212,
&end
#
# 12 THR HN 12 THR MG2 3.50 (# 351:20 Unique 2.47, 3.70 A)
&rst
ixpk= 351, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 210, 211, 212,
&end
#
# 12 THR HB 12 THR MG2 2.80 (# 352:20 Unique 2.45, 2.65 A)
&rst
ixpk= 352, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 210, 211, 212,
&end
#
# 12 THR HA 12 THR MG2 3.50 (# 353:20 Unique 2.37, 2.95 A)
&rst
ixpk= 353, nxpk= 20, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 210, 211, 212,
&end
#
# 38 TYR HD 112 VAL MGY 6.00 (# 354:20 Unique 4.27, 6.42 A)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 673, 682,
igr2=1886,1887,1888,1890,1891,1892,
&end
#
# 7 PHE HN 6 THR MG2 6.00 (# 355:20 Unique 1.69, 2.97 A)
&rst
ixpk= 355, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 89, 90, 91,
&end
#
# 6 THR HA 6 THR MG2 3.50 (# 356:20 Unique 2.36, 2.82 A)
&rst
ixpk= 356, nxpk= 20, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 89, 90, 91,
&end
#
# 85 GLY HN 112 VAL MGY 4.50 (# 357:20 Unique 1.77, 3.74 A)
&rst
ixpk= 357, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1886,1887,1888,1890,1891,1892,
&end
#
# 112 VAL HA 112 VAL MGY 4.50 (# 358:20 Unique 2.35, 3.44 A)
&rst
ixpk= 358, nxpk= 20, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1886,1887,1888,1890,1891,1892,
&end
#
# 0 AMB 20-2:359 98 VAL MGX 3.50 (# 359:20 Single Ambig)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1614,1713,1714,1713,1714,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 83 VAL HN 0 AMB 20-1:360 3.50 (# 360:20 Single Ambig)
&rst
ixpk= 360, nxpk= 20, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 84 ASN HN 0 AMB 20-1:361 4.50 (# 361:20 Single Ambig)
&rst
ixpk= 361, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 0 AMB 20-2:362 0 AMB 20-1:362 6.00 (# 362:20 Double Ambig)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
igr1=1472,1473,1472,1473,1720,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 20 VAL HN 20 VAL MGY 6.00 (# 363:20 Unique 2.09, 3.89 A)
&rst
ixpk= 363, nxpk= 20, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:364 20 VAL MGX 6.00 (# 364:20 Single Ambig)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 325,1823,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 20 VAL HN 20 VAL MGX 3.50 (# 365:20 Unique 2.09, 3.89 A)
&rst
ixpk= 365, nxpk= 20, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 108 PHE HD 20 VAL MGX 6.00 (# 367:20 Unique 1.62, 5.19 A)
&rst
ixpk= 367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1811,1819,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 107 GLY HA+ 20 VAL MGX 6.00 (# 368:20 Unique 2.51, 5.86 A)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1798,1799,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:369 91 VAL MGY 4.50 (# 369:20 Single Ambig)
&rst
ixpk= 369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1557,1036,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 59 ASN HN 58 VAL MGY 4.50 (# 370:20 Unique 2.44, 3.76 A)
&rst
ixpk= 370, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 64 ILE HN 58 VAL MGY 6.00 (# 371:20 Unique 4.88, 6.50 A)
&rst
ixpk= 371, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 29 THR HN 29 THR MG2 6.00 (# 372:20 Unique 2.31, 3.56 A)
&rst
ixpk= 372, nxpk= 20, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 509, 510, 511,
&end
#
# 29 THR HA 29 THR MG2 3.50 (# 373:20 Unique 2.35, 3.01 A)
&rst
ixpk= 373, nxpk= 20, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 509, 510, 511,
&end
#
# 0 AMB 20-2:374 0 AMB 20-1:374 2.80 (# 374:20 Double Ambig)
&rst
ixpk= 374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1479,1480, 804,
igr2=1886,1887,1888,1890,1891,1892, 808, 809, 810, 812,
813, 814,
&end
#
# 90 SER HN 0 AMB 20-1:375 4.50 (# 375:20 Single Ambig)
&rst
ixpk= 375, nxpk= 20, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 0 AMB 20-2:376 0 AMB 20-1:376 2.80 (# 376:20 Double Ambig)
&rst
ixpk= 376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1530,1409,
igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 0 AMB 20-2:377 0 AMB 20-1:377 6.00 (# 377:20 Double Ambig)
&rst
ixpk= 377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1391,1504,
igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 0 AMB 20-2:378 0 AMB 20-1:378 2.80 (# 378:20 Double Ambig)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1532,1550,1551,1550,1551,
igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 17 VAL HN 17 VAL MGX 6.00 (# 380:20 Unique 2.16, 3.89 A)
&rst
ixpk= 380, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 20-2:381 17 VAL MGX 6.00 (# 381:20 Single Ambig)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 312,1786,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 46 VAL HN 46 VAL MGX 3.50 (# 382:20 Unique 1.70, 3.57 A)
&rst
ixpk= 382, nxpk= 20, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 45 PRO HA 46 VAL MGX 6.00 (# 383:20 Unique 3.50, 5.51 A)
&rst
ixpk= 383, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 46 VAL HA 46 VAL MGX 4.50 (# 384:20 Unique 2.38, 3.42 A)
&rst
ixpk= 384, nxpk= 20, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 92 SER HN 91 VAL MGX 6.00 (# 385:20 Unique 1.72, 3.56 A)
&rst
ixpk= 385, nxpk= 20, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 0 AMB 20-2:386 91 VAL MGX 4.50 (# 386:20 Single Ambig)
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1557,1036,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 88 MET HA 91 VAL MGX 6.00 (# 387:20 Unique 3.87, 5.51 A)
&rst
ixpk= 387, nxpk= 20, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 90 SER HA 91 VAL MGX 6.00 (# 388:20 Unique 3.69, 5.99 A)
&rst
ixpk= 388, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 75 ALA HA 75 ALA MB 2.80 (# 391:20 Unique 2.44, 2.64 A)
&rst
ixpk= 391, nxpk= 20, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1322,1323,1324,
&end
#
# 95 ILE HN 95 ILE QG2 3.50 (# 392:20 Unique 2.16, 3.36 A)
&rst
ixpk= 392, nxpk= 20, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1618,1619,1620,
&end
#
# 96 SER HN 95 ILE QG2 4.50 (# 393:20 Unique 2.45, 3.34 A)
&rst
ixpk= 393, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1618,1619,1620,
&end
#
# 100 GLU HN 95 ILE QG2 8.00 (# 394:20 Unique 5.96, 7.33 A)
&rst
ixpk= 394, nxpk= 20, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1618,1619,1620,
&end
#
# 0 AMB 20-2:395 95 ILE QG2 3.50 (# 395:20 Single Ambig)
&rst
ixpk= 395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1633,1614,1635,1636,1635,1636,
igr2=1618,1619,1620,
&end
#
# 0 AMB 20-2:396 64 ILE QG2 4.50 (# 396:20 Single Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1098,1177,1158,
igr2=1104,1105,1106,
&end
#
# 79 PHE HD 64 ILE QG2 4.50 (# 397:20 Unique 2.69, 6.36 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1377,1385,
igr2=1104,1105,1106,
&end
#
# 79 PHE HE 64 ILE QG2 6.00 (# 398:20 Unique 1.71, 5.16 A)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1379,1383,
igr2=1104,1105,1106,
&end
#
# 31 ILE HN 31 ILE QG2 6.00 (# 399:20 Unique 4.08, 4.73 A)
&rst
ixpk= 399, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:400 31 ILE QG2 4.50 (# 400:20 Single Ambig)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1681,1690,1811,1819,
igr2= 545, 546, 547,
&end
#
# 31 ILE HA 31 ILE QG2 4.50 (# 401:20 Unique 2.48, 3.16 A)
&rst
ixpk= 401, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:402 31 ILE QG2 6.00 (# 402:20 Single Ambig)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1633,1675,1614,1635,1636,
igr2= 545, 546, 547,
&end
#
# 35 ILE HN 34 ILE QG2 6.00 (# 403:20 Unique 2.25, 3.81 A)
&rst
ixpk= 403, nxpk= 20, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 594, 595, 596,
&end
#
# 110 TYR HD 34 ILE QG2 4.50 (# 404:20 Unique 3.69, 6.41 A)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1850,1859,
igr2= 594, 595, 596,
&end
#
# 7 PHE HD 34 ILE QG2 6.00 (# 405:20 Unique 2.18, 5.38 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 105, 113,
igr2= 594, 595, 596,
&end
#
# 34 ILE HA 34 ILE QG2 4.50 (# 406:20 Unique 2.38, 3.08 A)
&rst
ixpk= 406, nxpk= 20, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 594, 595, 596,
&end
#
# 95 ILE HA 95 ILE QD1 4.50 (# 407:20 Unique 1.85, 4.40 A)
&rst
ixpk= 407, nxpk= 20, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1625,1626,1627,
&end
#
# 64 ILE HN 64 ILE QD1 4.50 (# 408:20 Unique 2.67, 4.21 A)
&rst
ixpk= 408, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1111,1112,1113,
&end
#
# 61 SER HA 64 ILE QD1 3.50 (# 409:20 Unique 2.01, 3.64 A)
&rst
ixpk= 409, nxpk= 20, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1111,1112,1113,
&end
#
# 66 ILE HN 66 ILE QD1 6.00 (# 410:20 Unique 4.19, 5.15 A)
&rst
ixpk= 410, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1152,1153,1154,
&end
#
# 63 LEU HA 66 ILE QD1 4.50 (# 411:20 Unique 2.77, 4.89 A)
&rst
ixpk= 411, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1152,1153,1154,
&end
#
# 99 TYR HD 31 ILE QD1 6.00 (# 412:20 Unique 1.85, 4.60 A)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1681,1690,
igr2= 552, 553, 554,
&end
#
# 31 ILE HA 31 ILE QD1 4.50 (# 413:20 Unique 1.98, 3.52 A)
&rst
ixpk= 413, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:414 31 ILE QD1 3.50 (# 414:20 Single Ambig)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1633,1635,1636,1635,1636,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:415 67 ILE HA 6.00 (# 415:20 Single Ambig)
&rst
ixpk= 415, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1158,1177,
&end
#
# 117 GLU HN 117 GLU HA 4.50 (# 416:20 Unique 2.77, 2.91 A)
&rst
ixpk= 416, nxpk= 20, iat=1955,1957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 THR HN 117 GLU HA 4.50 (# 417:20 Unique 3.42, 3.50 A)
&rst
ixpk= 417, nxpk= 20, iat=1970,1957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU HA 45 PRO HD- 3.50 (# 418:20 Unique 1.92, 2.21 A)
&rst
ixpk= 418, nxpk= 20, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 789, 790,
&end
#
# 27 HIS HA 28 PRO HD+ 3.50 (# 420:20 Unique 1.91, 2.45 A)
&rst
ixpk= 420, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 490, 491,
&end
#
# 31 ILE HA 32 PRO HD+ 3.50 (# 421:20 Unique 1.91, 2.15 A)
&rst
ixpk= 421, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 559, 560,
&end
#
# 31 ILE HA 32 PRO HD- 4.50 (# 422:20 Unique 1.91, 2.15 A)
&rst
ixpk= 422, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 559, 560,
&end
#
# 27 HIS HA 28 PRO HD- 4.50 (# 423:20 Unique 1.91, 2.45 A)
&rst
ixpk= 423, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 490, 491,
&end
#
# 85 GLY HN 85 GLY HA- 3.50 (# 424:20 Unique 2.43, 2.70 A)
&rst
ixpk= 424, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1479,1480,
&end
#
# 40 GLY HN 40 GLY HA- 4.50 (# 426:20 Unique 2.30, 2.63 A)
&rst
ixpk= 426, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 47 LEU HA 47 LEU HB+ 6.00 (# 428:20 Unique 2.29, 2.67 A)
&rst
ixpk= 428, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 822, 823,
&end
#
# 113 TYR HD 113 TYR HB+ 4.50 (# 429:20 Unique 2.32, 3.07 A)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1904,1913,
igr2=1900,1901,
&end
#
# 113 TYR HA 113 TYR HB+ 6.00 (# 430:20 Unique 2.26, 2.66 A)
&rst
ixpk= 430, nxpk= 20, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1900,1901,
&end
#
# 113 TYR HD 113 TYR HB- 4.50 (# 431:20 Unique 2.32, 3.07 A)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1904,1913,
igr2=1900,1901,
&end
#
# 113 TYR HA 113 TYR HB- 4.50 (# 432:20 Unique 2.26, 2.66 A)
&rst
ixpk= 432, nxpk= 20, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1900,1901,
&end
#
# 104 ASP HN 104 ASP HB- 4.50 (# 433:20 Unique 2.45, 2.94 A)
&rst
ixpk= 433, nxpk= 20, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1761,1762,
&end
#
# 110 TYR HD 104 ASP HB- 3.50 (# 434:20 Unique 2.91, 5.70 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1850,1859,
igr2=1761,1762,
&end
#
# 52 PHE HD 52 PHE HB- 4.50 (# 437:20 Unique 2.30, 3.04 A)
&rst
ixpk= 437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 915, 923,
igr2= 911, 912,
&end
#
# 0 AMB 20-2:438 0 AMB 20-1:438 4.50 (# 438:20 Double Ambig)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2075, 182,
igr2= 190, 191, 190, 191, 190, 191,
&end
#
# 22 LEU HA 22 LEU HB+ 4.50 (# 440:20 Unique 2.24, 2.43 A)
&rst
ixpk= 440, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 381, 382,
&end
#
# 0 AMB 20-2:441 0 AMB 20-1:441 6.00 (# 441:20 Double Ambig)
&rst
ixpk= 441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 396,2097,
igr2= 381, 382, 381, 382,
&end
#
# 22 LEU HN 22 LEU HB+ 4.50 (# 442:20 Unique 2.23, 3.11 A)
&rst
ixpk= 442, nxpk= 20, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 381, 382,
&end
#
# 22 LEU HN 22 LEU HB- 6.00 (# 443:20 Unique 2.23, 3.11 A)
&rst
ixpk= 443, nxpk= 20, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 381, 382,
&end
#
# 22 LEU HA 22 LEU HB- 4.50 (# 444:20 Unique 2.24, 2.43 A)
&rst
ixpk= 444, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 381, 382,
&end
#
# 0 AMB 20-2:445 0 AMB 20-1:445 4.50 (# 445:20 Double Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1371,1940,
igr2=1373,1374,1393,1394,
&end
#
# 0 AMB 20-2:446 0 AMB 20-1:446 2.80 (# 446:20 Double Ambig)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1683,1688,1377,1385,1397,1405,
igr2=1748,1749,1373,1374,1393,1394,
&end
#
# 64 ILE HN 63 LEU HB+ 4.50 (# 447:20 Unique 2.31, 3.58 A)
&rst
ixpk= 447, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1083,1084,
&end
#
# 48 ASP HN 48 ASP HB+ 6.00 (# 448:20 Unique 2.25, 3.24 A)
&rst
ixpk= 448, nxpk= 20, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 841, 842,
&end
#
# 48 ASP HA 48 ASP HB+ 2.80 (# 449:20 Unique 2.30, 2.59 A)
&rst
ixpk= 449, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 841, 842,
&end
#
# 106 ASP HA 106 ASP HB+ 4.50 (# 450:20 Unique 2.27, 2.62 A)
&rst
ixpk= 450, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1788,1789,
&end
#
# 106 ASP HA 106 ASP HB- 6.00 (# 451:20 Unique 2.27, 2.62 A)
&rst
ixpk= 451, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1788,1789,
&end
#
# 60 MET HN 59 ASN HB+ 6.00 (# 452:20 Unique 1.91, 2.76 A)
&rst
ixpk= 452, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1026,1027,
&end
#
# 59 ASN HD2+ 59 ASN HB+ 6.00 (# 453:20 Unique 2.15, 3.30 A)
&rst
ixpk= 453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1031,1032,
igr2=1026,1027,
&end
#
# 59 ASN HA 59 ASN HB+ 4.50 (# 454:20 Unique 2.29, 2.50 A)
&rst
ixpk= 454, nxpk= 20, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1026,1027,
&end
#
# 0 AMB 20-2:455 59 ASN HB- 6.00 (# 455:20 Single Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1036,1064,
igr2=1026,1027,
&end
#
# 59 ASN HD2+ 59 ASN HB- 4.50 (# 456:20 Unique 2.15, 3.30 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1031,1032,
igr2=1026,1027,
&end
#
# 13 PHE HN 13 PHE HB+ 4.50 (# 457:20 Unique 2.06, 2.64 A)
&rst
ixpk= 457, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 222, 223,
&end
#
# 13 PHE HD 13 PHE HB+ 6.00 (# 458:20 Unique 2.30, 3.04 A)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 226, 234,
igr2= 222, 223,
&end
#
# 13 PHE HA 13 PHE HB+ 6.00 (# 459:20 Unique 2.34, 2.78 A)
&rst
ixpk= 459, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 222, 223,
&end
#
# 7 PHE HD 7 PHE HB+ 3.50 (# 460:20 Unique 2.31, 3.05 A)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 105, 113,
igr2= 101, 102,
&end
#
# 38 TYR HD 38 TYR HB+ 4.50 (# 461:20 Unique 2.32, 3.07 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 673, 682,
igr2= 669, 670,
&end
#
# 38 TYR HD 38 TYR HB- 4.50 (# 462:20 Unique 2.32, 3.07 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 673, 682,
igr2= 669, 670,
&end
#
# 119 PHE HD 119 PHE HB+ 4.50 (# 463:20 Unique 2.30, 3.05 A)
&rst
ixpk= 463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1992,2000,
igr2=1988,1989,
&end
#
# 119 PHE HN 119 PHE HB- 4.50 (# 464:20 Unique 2.18, 3.19 A)
&rst
ixpk= 464, nxpk= 20, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1988,1989,
&end
#
# 119 PHE HD 119 PHE HB- 4.50 (# 465:20 Unique 2.30, 3.05 A)
&rst
ixpk= 465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1992,2000,
igr2=1988,1989,
&end
#
# 119 PHE HA 119 PHE HB- 4.50 (# 466:20 Unique 2.37, 2.60 A)
&rst
ixpk= 466, nxpk= 20, iat=1986, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1988,1989,
&end
#
# 52 PHE HD 35 ILE HB 4.50 (# 467:20 Unique 1.79, 4.33 A)
&rst
ixpk= 467, nxpk= 20, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 915, 923,
&end
#
# 99 TYR HN 99 TYR HB+ 4.50 (# 468:20 Unique 2.07, 2.56 A)
&rst
ixpk= 468, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1677,1678,
&end
#
# 99 TYR HN 99 TYR HB- 6.00 (# 469:20 Unique 2.07, 2.56 A)
&rst
ixpk= 469, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1677,1678,
&end
#
# 99 TYR HD 99 TYR HB- 6.00 (# 470:20 Unique 2.32, 3.06 A)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1681,1690,
igr2=1677,1678,
&end
#
# 0 AMB 20-2:471 0 AMB 20-1:471 4.50 (# 471:20 Double Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1342,1337,1338,1337,1338,
igr2=1332,1333,1332,1333,1332,1333,
&end
#
# 76 ASN HA 0 AMB 20-1:472 2.80 (# 472:20 Single Ambig)
&rst
ixpk= 472, nxpk= 20, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1332,1333,1332,1333,
&end
#
# 31 ILE HN 31 ILE HB 4.50 (# 473:20 Unique 2.38, 2.79 A)
&rst
ixpk= 473, nxpk= 20, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:474 23 ILE HB 4.50 (# 474:20 Single Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 396,2097,
&end
#
# 84 ASN HA 84 ASN HB+ 4.50 (# 475:20 Unique 2.50, 2.80 A)
&rst
ixpk= 475, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1467,1468,
&end
#
# 14 GLU HN 14 GLU HG- 6.00 (# 476:20 Unique 2.32, 2.97 A)
&rst
ixpk= 476, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 245, 246,
&end
#
# 111 MET HA 0 AMB 20-1:477 4.50 (# 477:20 Single Ambig)
&rst
ixpk= 477, nxpk= 20, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1867,1868,1867,1868,
&end
#
# 0 AMB 20-2:478 0 AMB 20-1:478 4.50 (# 478:20 Double Ambig)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1642,1117,
igr2=1649,1650,1071,1072,
&end
#
# 62 GLU HN 62 GLU HG+ 4.50 (# 479:20 Unique 4.05, 4.47 A)
&rst
ixpk= 479, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1071,1072,
&end
#
# 117 GLU HN 117 GLU HG+ 6.00 (# 480:20 Unique 2.25, 3.65 A)
&rst
ixpk= 480, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1962,1963,
&end
#
# 117 GLU HN 117 GLU HG- 6.00 (# 481:20 Unique 2.25, 3.65 A)
&rst
ixpk= 481, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1962,1963,
&end
#
# 112 VAL HN 112 VAL HB 4.50 (# 482:20 Unique 3.02, 3.62 A)
&rst
ixpk= 482, nxpk= 20, iat=1880,1884, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 VAL HA 112 VAL HB 6.00 (# 483:20 Unique 2.42, 2.52 A)
&rst
ixpk= 483, nxpk= 20, iat=1882,1884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 VAL HN 33 VAL HB 4.50 (# 484:20 Unique 2.66, 2.97 A)
&rst
ixpk= 484, nxpk= 20, iat= 572, 576, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:485 33 VAL HB 6.00 (# 485:20 Single Ambig)
&rst
ixpk= 485, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 574, 568,
&end
#
# 100 GLU HN 0 AMB 20-1:486 3.50 (# 486:20 Single Ambig)
&rst
ixpk= 486, nxpk= 20, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1701,1702,1701,1702,
&end
#
# 97 GLU HA 0 AMB 20-1:487 6.00 (# 487:20 Single Ambig)
&rst
ixpk= 487, nxpk= 20, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1701,1702,1701,1702,
&end
#
# 49 LYS HA 49 LYS HB+ 6.00 (# 488:20 Unique 2.29, 2.76 A)
&rst
ixpk= 488, nxpk= 20, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 853, 854,
&end
#
# 102 GLU HN 102 GLU HG+ 4.50 (# 489:20 Unique 2.39, 3.57 A)
&rst
ixpk= 489, nxpk= 20, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1727,1728,
&end
#
# 77 GLN HE2+ 77 GLN HG+ 4.50 (# 490:20 Unique 2.15, 3.36 A)
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1354,1355,
igr2=1349,1350,
&end
#
# 0 AMB 20-2:491 0 AMB 20-1:491 4.50 (# 491:20 Double Ambig)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1342,1285,
igr2=1349,1350,1349,1350,
&end
#
# 77 GLN HE2- 77 GLN HG+ 6.00 (# 492:20 Unique 2.15, 3.36 A)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1354,1355,
igr2=1349,1350,
&end
#
# 0 AMB 20-2:493 0 AMB 20-1:493 3.50 (# 493:20 Double Ambig)
&rst
ixpk= 493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1713,1714,1713,1714, 789, 790,
igr2=1727,1728,1727,1728,1349,1350,
&end
#
# 102 GLU HA 102 GLU HG- 6.00 (# 494:20 Unique 2.77, 3.35 A)
&rst
ixpk= 494, nxpk= 20, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1727,1728,
&end
#
# 0 AMB 20-2:495 102 GLU HG- 6.00 (# 495:20 Single Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1713,1714,1713,1714,
igr2=1727,1728,
&end
#
# 15 GLN HN 15 GLN HG+ 4.50 (# 496:20 Unique 2.21, 3.00 A)
&rst
ixpk= 496, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 260, 261,
&end
#
# 15 GLN HA 15 GLN HG+ 6.00 (# 497:20 Unique 2.18, 2.76 A)
&rst
ixpk= 497, nxpk= 20, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 260, 261,
&end
#
# 102 GLU HN 102 GLU HG- 6.00 (# 499:20 Unique 2.39, 3.57 A)
&rst
ixpk= 499, nxpk= 20, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1727,1728,
&end
#
# 43 GLN HN 43 GLN HG+ 6.00 (# 500:20 Unique 1.77, 2.79 A)
&rst
ixpk= 500, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 759, 760,
&end
#
# 43 GLN HA 43 GLN HG+ 4.50 (# 501:20 Unique 2.32, 3.26 A)
&rst
ixpk= 501, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 759, 760,
&end
#
# 43 GLN HA 43 GLN HG- 4.50 (# 502:20 Unique 2.32, 3.26 A)
&rst
ixpk= 502, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 759, 760,
&end
#
# 0 AMB 20-2:503 0 AMB 20-1:503 6.00 (# 503:20 Double Ambig)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1227,1251,
igr2=1275,1276,1275,1276,1275,1276,
&end
#
# 26 GLN HN 26 GLN HG+ 4.50 (# 504:20 Unique 1.86, 2.73 A)
&rst
ixpk= 504, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 461, 462,
&end
#
# 23 ILE HA 26 GLN HG+ 6.00 (# 505:20 Unique 1.97, 2.77 A)
&rst
ixpk= 505, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 461, 462,
&end
#
# 26 GLN HN 26 GLN HG- 4.50 (# 506:20 Unique 1.86, 2.73 A)
&rst
ixpk= 506, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 461, 462,
&end
#
# 83 VAL HN 83 VAL HB 4.50 (# 507:20 Unique 2.76, 2.93 A)
&rst
ixpk= 507, nxpk= 20, iat=1447,1451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 MET HA 0 AMB 20-1:508 4.50 (# 508:20 Single Ambig)
&rst
ixpk= 508, nxpk= 20, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1870,1871,1870,1871,
&end
#
# 116 GLN HN 116 GLN HG+ 6.00 (# 509:20 Unique 2.63, 3.70 A)
&rst
ixpk= 509, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1945,1946,
&end
#
# 116 GLN HE2+ 116 GLN HG- 6.00 (# 510:20 Unique 2.15, 3.27 A)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1950,1951,
igr2=1945,1946,
&end
#
# 116 GLN HA 116 GLN HG- 6.00 (# 511:20 Unique 2.30, 3.72 A)
&rst
ixpk= 511, nxpk= 20, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1945,1946,
&end
#
# 0 AMB 20-2:512 0 AMB 20-1:512 6.00 (# 512:20 Double Ambig)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1530,1409,
igr2=1517,1518,1517,1518,
&end
#
# 45 PRO HA 45 PRO HB+ 2.80 (# 513:20 Unique 2.31, 2.52 A)
&rst
ixpk= 513, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 795, 796,
&end
#
# 46 VAL HN 45 PRO HB+ 6.00 (# 514:20 Unique 2.07, 3.36 A)
&rst
ixpk= 514, nxpk= 20, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 795, 796,
&end
#
# 0 AMB 20-2:515 0 AMB 20-1:515 4.50 (# 515:20 Double Ambig)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 802, 35,
igr2= 795, 796, 8, 9,
&end
#
# 45 PRO HA 45 PRO HB- 3.50 (# 516:20 Unique 2.31, 2.52 A)
&rst
ixpk= 516, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 795, 796,
&end
#
# 88 MET HA 0 AMB 20-1:517 4.50 (# 517:20 Single Ambig)
&rst
ixpk= 517, nxpk= 20, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1520,1521,1520,1521,
&end
#
# 28 PRO HA 28 PRO HB+ 2.80 (# 518:20 Unique 2.31, 2.52 A)
&rst
ixpk= 518, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 496, 497,
&end
#
# 89 VAL HN 89 VAL HB 4.50 (# 519:20 Unique 2.53, 2.95 A)
&rst
ixpk= 519, nxpk= 20, iat=1530,1534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 MET HN 60 MET HG- 4.50 (# 521:20 Unique 1.92, 3.05 A)
&rst
ixpk= 521, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1043,1044,
&end
#
# 99 TYR HN 98 VAL HB 4.50 (# 522:20 Unique 2.32, 2.63 A)
&rst
ixpk= 522, nxpk= 20, iat=1673,1661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 GLU HN 116 GLN HB+ 6.00 (# 523:20 Unique 2.04, 2.99 A)
&rst
ixpk= 523, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1942,1943,
&end
#
# 117 GLU HN 116 GLN HB- 4.50 (# 524:20 Unique 2.04, 2.99 A)
&rst
ixpk= 524, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1942,1943,
&end
#
# 116 GLN HN 116 GLN HB- 6.00 (# 525:20 Unique 2.77, 3.66 A)
&rst
ixpk= 525, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1942,1943,
&end
#
# 116 GLN HA 116 GLN HB- 4.50 (# 526:20 Unique 2.32, 2.48 A)
&rst
ixpk= 526, nxpk= 20, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1942,1943,
&end
#
# 64 ILE HN 64 ILE HG1- 4.50 (# 527:20 Unique 2.20, 3.20 A)
&rst
ixpk= 527, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1108,1109,
&end
#
# 41 GLU HN 41 GLU HB- 4.50 (# 528:20 Unique 2.49, 2.94 A)
&rst
ixpk= 528, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 719, 720,
&end
#
# 21 ARG HN 20 VAL HB 4.50 (# 529:20 Unique 2.81, 3.15 A)
&rst
ixpk= 529, nxpk= 20, iat= 353, 341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 VAL HN 20 VAL HB 4.50 (# 530:20 Unique 2.29, 2.39 A)
&rst
ixpk= 530, nxpk= 20, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 HIS HA 86 HIS HB+ 3.50 (# 531:20 Unique 2.37, 2.74 A)
&rst
ixpk= 531, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1488,1489,
&end
#
# 32 PRO HA 32 PRO HB- 6.00 (# 532:20 Unique 2.31, 2.52 A)
&rst
ixpk= 532, nxpk= 20, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 565, 566,
&end
#
# 26 GLN HA 26 GLN HB+ 3.50 (# 533:20 Unique 2.30, 2.43 A)
&rst
ixpk= 533, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 458, 459,
&end
#
# 26 GLN HN 26 GLN HB- 4.50 (# 534:20 Unique 2.40, 3.13 A)
&rst
ixpk= 534, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 458, 459,
&end
#
# 0 AMB 20-2:535 77 GLN HB- 2.80 (# 535:20 Single Ambig)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1344,1287,
igr2=1346,1347,
&end
#
# 60 MET HA 60 MET HB+ 4.50 (# 536:20 Unique 2.38, 2.75 A)
&rst
ixpk= 536, nxpk= 20, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 0 AMB 20-2:537 0 AMB 20-1:537 4.50 (# 537:20 Double Ambig)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 158,1559, 48,
igr2= 143, 144,1040,1041, 143, 144,
&end
#
# 105 GLU HN 0 AMB 20-1:538 2.80 (# 538:20 Single Ambig)
&rst
ixpk= 538, nxpk= 20, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1773,1774,1773,1774,
&end
#
# 13 PHE HE 0 AMB 20-1:539 2.80 (# 539:20 Single Ambig)
&rst
ixpk= 539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 228, 232,
igr2=1773,1774,1773,1774,
&end
#
# 0 AMB 20-2:540 0 AMB 20-1:540 4.50 (# 540:20 Double Ambig)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 141,1055,
igr2= 143, 144,1040,1041,
&end
#
# 0 AMB 20-2:541 21 ARG HB- 2.80 (# 541:20 Single Ambig)
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 377, 353,
igr2= 357, 358,
&end
#
# 71 LEU HN 0 AMB 20-1:542 4.50 (# 542:20 Single Ambig)
&rst
ixpk= 542, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1229,1230,1229,1230,
&end
#
# 69 ARG HA 69 ARG HB+ 2.80 (# 543:20 Unique 2.28, 2.75 A)
&rst
ixpk= 543, nxpk= 20, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1205,1206,
&end
#
# 62 GLU HN 62 GLU HB+ 4.50 (# 544:20 Unique 2.06, 2.54 A)
&rst
ixpk= 544, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1068,1069,
&end
#
# 14 GLU HN 14 GLU HB+ 4.50 (# 546:20 Unique 2.27, 2.99 A)
&rst
ixpk= 546, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 242, 243,
&end
#
# 14 GLU HN 14 GLU HB- 6.00 (# 547:20 Unique 2.27, 2.99 A)
&rst
ixpk= 547, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 242, 243,
&end
#
# 0 AMB 20-2:548 24 ARG HB- 3.50 (# 548:20 Single Ambig)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 417, 441,
igr2= 419, 420,
&end
#
# 42 LYS HA 42 LYS HD- 4.50 (# 549:20 Unique 2.14, 3.18 A)
&rst
ixpk= 549, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 740, 741,
&end
#
# 0 AMB 20-2:550 0 AMB 20-1:550 6.00 (# 550:20 Double Ambig)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 798, 771,
igr2= 792, 793, 792, 793,
&end
#
# 45 PRO HD+ 45 PRO HG+ 4.50 (# 551:20 Unique 2.31, 2.57 A)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 789, 790,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:552 0 AMB 20-1:552 4.50 (# 552:20 Double Ambig)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 789, 790, 804,
igr2= 792, 793, 825,
&end
#
# 0 AMB 20-2:553 0 AMB 20-1:553 6.00 (# 553:20 Double Ambig)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 771,1919, 798,
igr2= 776, 792, 793,
&end
#
# 0 AMB 20-2:554 0 AMB 20-1:554 4.50 (# 554:20 Double Ambig)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 353, 377,
igr2= 360, 361, 360, 361,
&end
#
# 69 ARG HA 69 ARG HG+ 3.50 (# 555:20 Unique 2.06, 2.84 A)
&rst
ixpk= 555, nxpk= 20, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1208,1209,
&end
#
# 73 LEU HN 73 LEU HG 6.00 (# 557:20 Unique 1.81, 2.78 A)
&rst
ixpk= 557, nxpk= 20, iat=1285,1292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 SER HN 114 ALA MB 3.50 (# 559:20 Unique 1.86, 2.87 A)
&rst
ixpk= 559, nxpk= 20, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1921,1922,1923,
&end
#
# 114 ALA HN 114 ALA MB 4.50 (# 560:20 Unique 2.84, 3.55 A)
&rst
ixpk= 560, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1921,1922,1923,
&end
#
# 116 GLN HN 114 ALA MB 3.50 (# 561:20 Unique 2.48, 3.19 A)
&rst
ixpk= 561, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1921,1922,1923,
&end
#
# 38 TYR HD 114 ALA MB 4.50 (# 562:20 Unique 1.65, 4.58 A)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 673, 682,
igr2=1921,1922,1923,
&end
#
# 116 GLN HE2- 114 ALA MB 4.50 (# 563:20 Unique 1.57, 3.80 A)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1950,1951,
igr2=1921,1922,1923,
&end
#
# 114 ALA HA 114 ALA MB 2.80 (# 564:20 Unique 2.44, 2.64 A)
&rst
ixpk= 564, nxpk= 20, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1921,1922,1923,
&end
#
# 0 AMB 20-2:565 114 ALA MB 6.00 (# 565:20 Single Ambig)
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1940,1371,
igr2=1921,1922,1923,
&end
#
# 0 AMB 20-2:566 0 AMB 20-1:566 6.00 (# 566:20 Double Ambig)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1931,1932, 667,
igr2=1921,1922,1923, 737, 738,
&end
#
# 93 THR HN 93 THR MG2 4.50 (# 567:20 Unique 2.36, 3.81 A)
&rst
ixpk= 567, nxpk= 20, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1590,1591,1592,
&end
#
# 78 ALA HN 78 ALA MB 2.80 (# 568:20 Unique 2.48, 3.07 A)
&rst
ixpk= 568, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1363,1364,1365,
&end
#
# 79 PHE HN 78 ALA MB 3.50 (# 569:20 Unique 2.40, 3.51 A)
&rst
ixpk= 569, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1363,1364,1365,
&end
#
# 80 PHE HE 78 ALA MB 3.50 (# 570:20 Unique 2.26, 5.70 A)
&rst
ixpk= 570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1399,1403,
igr2=1363,1364,1365,
&end
#
# 80 PHE HD 78 ALA MB 6.00 (# 571:20 Unique 2.65, 6.24 A)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1397,1405,
igr2=1363,1364,1365,
&end
#
# 0 AMB 20-2:572 78 ALA MB 4.50 (# 572:20 Single Ambig)
&rst
ixpk= 572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1929,1371,
igr2=1363,1364,1365,
&end
#
# 78 ALA HA 78 ALA MB 2.80 (# 573:20 Unique 2.44, 2.64 A)
&rst
ixpk= 573, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1363,1364,1365,
&end
#
# 115 SER HB+ 78 ALA MB 4.50 (# 574:20 Unique 1.62, 5.03 A)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1931,1932,
igr2=1363,1364,1365,
&end
#
# 60 MET HA 60 MET ME 4.50 (# 575:20 Unique 1.74, 3.14 A)
&rst
ixpk= 575, nxpk= 20, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1047,1048,1049,
&end
#
# 0 AMB 20-2:576 60 MET ME 6.00 (# 576:20 Single Ambig)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1614,1081,
igr2=1047,1048,1049,
&end
#
# 50 THR HN 50 THR HB 6.00 (# 577:20 Unique 2.42, 3.06 A)
&rst
ixpk= 577, nxpk= 20, iat= 871, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 THR HN 93 THR HB 4.50 (# 578:20 Unique 2.25, 2.82 A)
&rst
ixpk= 578, nxpk= 20, iat=1584,1588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 ILE HN 95 ILE HA 6.00 (# 579:20 Unique 2.78, 2.85 A)
&rst
ixpk= 579, nxpk= 20, iat=1612,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 90 SER HN 90 SER HB- 3.50 (# 580:20 Unique 2.54, 3.04 A)
&rst
ixpk= 580, nxpk= 20, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1550,1551,
&end
#
# 95 ILE HN 94 PRO HA 4.50 (# 581:20 Unique 2.22, 2.33 A)
&rst
ixpk= 581, nxpk= 20, iat=1612,1608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ASN HA 94 PRO HA 3.50 (# 582:20 Unique 2.00, 2.46 A)
&rst
ixpk= 582, nxpk= 20, iat=1024,1608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 PHE HN 13 PHE HA 6.00 (# 583:20 Unique 2.64, 2.74 A)
&rst
ixpk= 583, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:584 13 PHE HA 6.00 (# 584:20 Single Ambig)
&rst
ixpk= 584, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 226, 234, 283,
&end
#
# 13 PHE HN 12 THR HA 3.50 (# 585:20 Unique 2.41, 2.55 A)
&rst
ixpk= 585, nxpk= 20, iat= 218, 206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 THR HB 12 THR HA 3.50 (# 586:20 Unique 2.48, 2.58 A)
&rst
ixpk= 586, nxpk= 20, iat= 208, 206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 SER HN 0 AMB 20-1:587 3.50 (# 587:20 Single Ambig)
&rst
ixpk= 587, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1635,1636,1635,1636,1633,
&end
#
# 84 ASN HN 83 VAL HA 4.50 (# 588:20 Unique 2.16, 2.23 A)
&rst
ixpk= 588, nxpk= 20, iat=1463,1449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 GLU HN 14 GLU HA 4.50 (# 589:20 Unique 2.76, 2.81 A)
&rst
ixpk= 589, nxpk= 20, iat= 238, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LYS HN 65 LYS HA 4.50 (# 590:20 Unique 2.79, 2.85 A)
&rst
ixpk= 590, nxpk= 20, iat=1117,1119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:591 21 ARG HA 4.50 (# 591:20 Single Ambig)
&rst
ixpk= 591, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 353, 377,
&end
#
# 105 GLU HN 105 GLU HA 4.50 (# 592:20 Unique 2.77, 2.79 A)
&rst
ixpk= 592, nxpk= 20, iat=1769,1771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 GLU HN 100 GLU HA 3.50 (# 593:20 Unique 2.85, 2.91 A)
&rst
ixpk= 593, nxpk= 20, iat=1694,1696, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 GLU HN 25 GLU HA 4.50 (# 594:20 Unique 2.78, 2.88 A)
&rst
ixpk= 594, nxpk= 20, iat= 439, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:595 0 AMB 20-1:595 4.50 (# 595:20 Double Ambig)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 310, 454,
igr2= 255, 441,
&end
#
# 15 GLN HN 15 GLN HA 6.00 (# 596:20 Unique 2.74, 2.78 A)
&rst
ixpk= 596, nxpk= 20, iat= 253, 255, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 ARG HN 70 ARG HA 4.50 (# 597:20 Unique 2.78, 2.87 A)
&rst
ixpk= 597, nxpk= 20, iat=1225,1227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 TYR HN 38 TYR HA 6.00 (# 598:20 Unique 2.77, 2.79 A)
&rst
ixpk= 598, nxpk= 20, iat= 665, 667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 LYS HN 38 TYR HA 3.50 (# 599:20 Unique 2.13, 2.15 A)
&rst
ixpk= 599, nxpk= 20, iat= 686, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 TYR HD 38 TYR HA 3.50 (# 600:20 Unique 3.57, 4.17 A)
&rst
ixpk= 600, nxpk= 20, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 673, 682,
&end
#
# 24 ARG HN 24 ARG HA 6.00 (# 601:20 Unique 2.86, 2.88 A)
&rst
ixpk= 601, nxpk= 20, iat= 415, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 GLN HN 26 GLN HA 4.50 (# 602:20 Unique 2.81, 2.91 A)
&rst
ixpk= 602, nxpk= 20, iat= 454, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 PHE HD 80 PHE HA 4.50 (# 603:20 Unique 1.96, 3.41 A)
&rst
ixpk= 603, nxpk= 20, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1397,1405,
&end
#
# 119 PHE HD 119 PHE HA 4.50 (# 604:20 Unique 2.06, 3.78 A)
&rst
ixpk= 604, nxpk= 20, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1992,2000,
&end
#
# 81 LEU HN 80 PHE HA 2.80 (# 605:20 Unique 2.13, 2.18 A)
&rst
ixpk= 605, nxpk= 20, iat=1409,1391, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 LYS HN 4 GLU HA 3.50 (# 607:20 Unique 2.47, 2.80 A)
&rst
ixpk= 607, nxpk= 20, iat= 61, 48, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 LYS HN 41 GLU HA 2.80 (# 608:20 Unique 2.13, 2.18 A)
&rst
ixpk= 608, nxpk= 20, iat= 730, 717, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 GLU HN 41 GLU HA 4.50 (# 609:20 Unique 2.97, 2.97 A)
&rst
ixpk= 609, nxpk= 20, iat= 715, 717, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 TYR HD 41 GLU HA 6.00 (# 610:20 Unique 4.89, 6.58 A)
&rst
ixpk= 610, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 673, 682,
&end
#
# 72 GLN HN 72 GLN HA 2.80 (# 612:20 Unique 2.44, 2.67 A)
&rst
ixpk= 612, nxpk= 20, iat=1268,1270, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 LEU HN 72 GLN HA 3.50 (# 613:20 Unique 2.14, 2.62 A)
&rst
ixpk= 613, nxpk= 20, iat=1285,1270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:614 77 GLN HA 4.50 (# 614:20 Single Ambig)
&rst
ixpk= 614, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1342,1337,1338,
&end
#
# 0 AMB 20-2:615 71 LEU HA 4.50 (# 615:20 Single Ambig)
&rst
ixpk= 615, nxpk= 20, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1249,1268,
&end
#
# 75 ALA HN 75 ALA HA 6.00 (# 616:20 Unique 2.79, 2.84 A)
&rst
ixpk= 616, nxpk= 20, iat=1318,1320, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 THR HN 49 LYS HA 6.00 (# 617:20 Unique 2.14, 2.72 A)
&rst
ixpk= 617, nxpk= 20, iat= 871, 851, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 ALA HN 78 ALA HA 4.50 (# 620:20 Unique 2.94, 2.96 A)
&rst
ixpk= 620, nxpk= 20, iat=1359,1361, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 PHE HN 78 ALA HA 2.80 (# 621:20 Unique 2.15, 2.30 A)
&rst
ixpk= 621, nxpk= 20, iat=1369,1361, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 LEU HA 45 PRO HD+ 3.50 (# 623:20 Unique 1.92, 2.21 A)
&rst
ixpk= 623, nxpk= 20, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 789, 790,
&end
#
# 85 GLY HN 85 GLY HA+ 3.50 (# 624:20 Unique 2.43, 2.70 A)
&rst
ixpk= 624, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1479,1480,
&end
#
# 86 HIS HN 85 GLY HA+ 6.00 (# 625:20 Unique 2.90, 3.22 A)
&rst
ixpk= 625, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1479,1480,
&end
#
# 40 GLY HN 40 GLY HA+ 4.50 (# 626:20 Unique 2.30, 2.63 A)
&rst
ixpk= 626, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 104 ASP HN 104 ASP HB+ 6.00 (# 627:20 Unique 2.45, 2.94 A)
&rst
ixpk= 627, nxpk= 20, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1761,1762,
&end
#
# 110 TYR HD 104 ASP HB+ 4.50 (# 628:20 Unique 2.91, 5.70 A)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1850,1859,
igr2=1761,1762,
&end
#
# 117 GLU HA 117 GLU HG- 4.50 (# 630:20 Unique 2.15, 3.35 A)
&rst
ixpk= 630, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1962,1963,
&end
#
# 26 GLN HA 26 GLN HG+ 4.50 (# 631:20 Unique 3.52, 3.73 A)
&rst
ixpk= 631, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 461, 462,
&end
#
# 26 GLN HA 26 GLN HG- 4.50 (# 632:20 Unique 3.52, 3.73 A)
&rst
ixpk= 632, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 461, 462,
&end
#
# 7 PHE HA 1 MET HB+ 3.50 (# 633:20 Unique 1.94, 4.65 A)
&rst
ixpk= 633, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 8, 9,
&end
#
# 98 VAL HA 98 VAL HB 6.00 (# 634:20 Unique 3.00, 3.00 A)
&rst
ixpk= 634, nxpk= 20, iat=1659,1661, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:635 17 VAL HB 3.50 (# 635:20 Single Ambig)
&rst
ixpk= 635, nxpk= 20, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 240, 296,
&end
#
# 39 LYS HA 39 LYS HB- 3.50 (# 636:20 Unique 2.39, 2.74 A)
&rst
ixpk= 636, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 690, 691,
&end
#
# 0 AMB 20-2:637 0 AMB 20-1:637 4.50 (# 637:20 Double Ambig)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr1= 339, 329, 330, 329, 330, 329, 330,
igr2= 341, 565, 566, 274, 275,
&end
#
# 21 ARG HA 21 ARG HB- 4.50 (# 638:20 Unique 2.69, 2.82 A)
&rst
ixpk= 638, nxpk= 20, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 357, 358,
&end
#
# 21 ARG HD+ 21 ARG HB- 3.50 (# 639:20 Unique 2.01, 3.13 A)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 363, 364,
igr2= 357, 358,
&end
#
# 0 AMB 20-2:640 0 AMB 20-1:640 4.50 (# 640:20 Double Ambig)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1211,1212,1211,1212,1235,1236,
igr2=1205,1206,1205,1206,1205,1206,
&end
#
# 0 AMB 20-2:641 0 AMB 20-1:641 3.50 (# 641:20 Double Ambig)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1066,1081,
igr2=1068,1069,1068,1069,
&end
#
# 0 AMB 20-2:642 0 AMB 20-1:642 3.50 (# 642:20 Double Ambig)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 240, 355,
igr2= 242, 243, 419, 420,
&end
#
# 0 AMB 20-2:643 0 AMB 20-1:643 4.50 (# 643:20 Double Ambig)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 22, 23, 39, 40,
igr2= 25, 26, 25, 26,
&end
#
# 2 PRO HD- 2 PRO HG+ 4.50 (# 644:20 Unique 2.31, 2.57 A)
&rst
ixpk= 644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 22, 23,
igr2= 25, 26,
&end
#
# 0 AMB 20-2:646 2 PRO HG- 4.50 (# 646:20 Single Ambig)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 22, 23, 39, 40,
igr2= 25, 26,
&end
#
# 2 PRO HD- 2 PRO HG- 6.00 (# 647:20 Unique 2.31, 2.57 A)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 22, 23,
igr2= 25, 26,
&end
#
# 45 PRO HD- 45 PRO HG+ 4.50 (# 648:20 Unique 2.31, 2.57 A)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 789, 790,
igr2= 792, 793,
&end
#
# 45 PRO HD- 45 PRO HG- 4.50 (# 649:20 Unique 2.31, 2.57 A)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 789, 790,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:650 0 AMB 20-1:650 6.00 (# 650:20 Double Ambig)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1807,1808, 559, 560, 559, 560,
igr2= 562, 563, 422, 423,
&end
#
# 0 AMB 20-2:651 0 AMB 20-1:651 2.80 (# 651:20 Double Ambig)
&rst
ixpk= 651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1235,1236,1211,1212,1211,1212,
igr2=1232,1233,1208,1209,
&end
#
# 72 GLN HA 72 GLN HB+ 3.50 (# 652:20 Unique 2.26, 2.70 A)
&rst
ixpk= 652, nxpk= 20, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1272,1273,
&end
#
# 72 GLN HA 72 GLN HB- 3.50 (# 653:20 Unique 2.26, 2.70 A)
&rst
ixpk= 653, nxpk= 20, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1272,1273,
&end
#
# 115 SER HB- 78 ALA MB 6.00 (# 654:20 Unique 1.62, 5.03 A)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1931,1932,
igr2=1363,1364,1365,
&end
#
# 0 AMB 20-2:659 0 AMB 20-1:659 6.00 (# 659:20 Double Ambig)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1696,1270,
igr2=1748,1749,1373,1374,
&end
#
# 100 GLU HA 103 LYS HE- 6.00 (# 660:20 Unique 2.90, 5.19 A)
&rst
ixpk= 660, nxpk= 20, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1748,1749,
&end
#
# 23 ILE QD1 23 ILE HG1+ 4.50 (# 661:20 Unique 2.44, 2.64 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 409, 410, 411,
igr2= 406, 407,
&end
#
# 23 ILE QG2 23 ILE HG1+ 6.00 (# 663:20 Unique 2.31, 3.48 A)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 402, 403, 404,
igr2= 406, 407,
&end
#
# 0 AMB 20-2:664 20 VAL MGX 2.80 (# 664:20 Single Ambig)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 565, 566, 341,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 23 ILE QG2 20 VAL MGX 6.00 (# 665:20 Unique 3.20, 4.78 A)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 402, 403, 404,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 17 VAL MGY 20 VAL MGX 6.00 (# 667:20 Unique 4.71, 7.35 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 300, 301, 302, 304, 305, 306,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 35 ILE HB 35 ILE QD1 3.50 (# 668:20 Unique 2.45, 3.11 A)
&rst
ixpk= 668, nxpk= 20, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 620, 621, 622,
&end
#
# 35 ILE HG1- 35 ILE QD1 3.50 (# 669:20 Unique 2.44, 2.64 A)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 617, 618,
igr2= 620, 621, 622,
&end
#
# 81 LEU MDY 35 ILE QD1 2.80 (# 670:20 Unique 1.25, 4.21 A)
&rst
ixpk= 670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1418,1419,1420,1422,1423,1424,
igr2= 620, 621, 622,
&end
#
# 0 AMB 20-2:671 35 ILE QD1 2.80 (# 671:20 Single Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 613, 614, 615, 617, 618,
igr2= 620, 621, 622,
&end
#
# 73 LEU HG 73 LEU MDX 3.50 (# 673:20 Unique 2.44, 2.64 A)
&rst
ixpk= 673, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 20-2:674 71 LEU MDY 2.80 (# 674:20 Single Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 853, 854,1256,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:675 17 VAL MGY 2.80 (# 675:20 Single Ambig)
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 298, 360, 361,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 31 ILE HB 31 ILE QG2 3.50 (# 677:20 Unique 2.44, 2.65 A)
&rst
ixpk= 677, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:678 31 ILE QG2 6.00 (# 678:20 Single Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1830,1827,1828,
igr2= 545, 546, 547,
&end
#
# 95 ILE HG1- 31 ILE QG2 6.00 (# 679:20 Unique 2.38, 4.90 A)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1622,1623,
igr2= 545, 546, 547,
&end
#
# 34 ILE HB 34 ILE QG2 4.50 (# 680:20 Unique 2.44, 2.64 A)
&rst
ixpk= 680, nxpk= 20, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 594, 595, 596,
&end
#
# 0 AMB 20-2:681 95 ILE QD1 2.80 (# 681:20 Single Ambig)
&rst
ixpk= 681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1874,1875,1876,1616, 543,
igr2=1625,1626,1627,
&end
#
# 95 ILE HG1- 95 ILE QD1 2.80 (# 682:20 Unique 2.44, 2.64 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1622,1623,
igr2=1625,1626,1627,
&end
#
# 0 AMB 20-2:683 66 ILE QD1 2.80 (# 683:20 Single Ambig)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1149,1150,2210,
igr2=1152,1153,1154,
&end
#
# 0 AMB 20-2:684 66 ILE QD1 3.50 (# 684:20 Single Ambig)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2179,1162, 859, 860,
igr2=1152,1153,1154,
&end
#
# 31 ILE HB 31 ILE QD1 6.00 (# 685:20 Unique 2.58, 3.67 A)
&rst
ixpk= 685, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 552, 553, 554,
&end
#
# 31 ILE HG1- 31 ILE QD1 4.50 (# 686:20 Unique 2.44, 2.64 A)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 549, 550,
igr2= 552, 553, 554,
&end
#
# 34 ILE HA 34 ILE QD1 4.50 (# 687:20 Unique 2.28, 4.17 A)
&rst
ixpk= 687, nxpk= 20, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 601, 602, 603,
&end
#
# 51 LYS HB+ 34 ILE QD1 6.00 (# 688:20 Unique 2.19, 6.36 A)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 889, 890,
igr2= 601, 602, 603,
&end
#
# 34 ILE QG2 34 ILE QD1 3.50 (# 689:20 Unique 1.95, 3.96 A)
&rst
ixpk= 689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 594, 595, 596,
igr2= 601, 602, 603,
&end
#
# 34 ILE HG1+ 34 ILE QD1 6.00 (# 690:20 Unique 2.44, 2.64 A)
&rst
ixpk= 690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 598, 599,
igr2= 601, 602, 603,
&end
#
# 1 MET HA 1 MET HB+ 3.50 (# 691:20 Unique 2.21, 2.68 A)
&rst
ixpk= 691, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB- 6.00 (# 692:20 Unique 2.21, 2.68 A)
&rst
ixpk= 692, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:693 2 PRO HB- 4.50 (# 693:20 Single Ambig)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 31,2028,
igr2= 28, 29,
&end
#
# 62 GLU HA 65 LYS HB+ 4.50 (# 694:20 Unique 2.32, 3.79 A)
&rst
ixpk= 694, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1121,1122,
&end
#
# 0 AMB 20-2:695 0 AMB 20-1:695 3.50 (# 695:20 Double Ambig)
&rst
ixpk= 695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 22, 23,1119,
igr2= 8, 9,1121,1122,
&end
#
# 1 MET HG+ 1 MET HB+ 3.50 (# 696:20 Unique 2.21, 2.65 A)
&rst
ixpk= 696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 123 GLU HB+ 2 PRO HB- 4.50 (# 697:20 Unique 2.71, 4.73 A)
&rst
ixpk= 697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2051,2052,
igr2= 28, 29,
&end
#
# 0 AMB 20-2:698 0 AMB 20-1:698 4.50 (# 698:20 Double Ambig)
&rst
ixpk= 698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1124,1125, 68, 69,
igr2=1121,1122, 8, 9,
&end
#
# 2 PRO HD- 1 MET HB+ 6.00 (# 699:20 Unique 1.84, 4.06 A)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 22, 23,
igr2= 8, 9,
&end
#
# 3 SER HN 2 PRO HA 4.50 (# 700:20 Unique 2.27, 2.67 A)
&rst
ixpk= 700, nxpk= 20, iat= 35, 31, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:701 2 PRO HA 6.00 (# 701:20 Single Ambig)
&rst
ixpk= 701, nxpk= 20, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 28, 29, 8, 9,
&end
#
# 3 SER HB- 2 PRO HB- 6.00 (# 702:20 Unique 3.82, 5.93 A)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 39, 40,
igr2= 28, 29,
&end
#
# 64 ILE HA 64 ILE HG1- 6.00 (# 703:20 Unique 2.06, 2.61 A)
&rst
ixpk= 703, nxpk= 20, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1108,1109,
&end
#
# 64 ILE QD1 64 ILE HG1- 2.80 (# 704:20 Unique 2.44, 2.64 A)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1111,1112,1113,
igr2=1108,1109,
&end
#
# 0 AMB 20-2:706 44 LEU HG 8.00 (# 706:20 Single Ambig)
&rst
ixpk= 706, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 764, 765,1950,1951,
&end
#
# 123 GLU HA 2 PRO HG+ 6.00 (# 707:20 Unique 5.99, 7.08 A)
&rst
ixpk= 707, nxpk= 20, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 25, 26,
&end
#
# 115 SER HB+ 44 LEU HG 6.00 (# 708:20 Unique 2.72, 3.74 A)
&rst
ixpk= 708, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1931,1932,
&end
#
# 0 AMB 20-2:710 0 AMB 20-1:710 3.50 (# 710:20 Double Ambig)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 795, 796, 795, 796,
igr2= 792, 793, 825,
&end
#
# 1 MET HA 2 PRO HD- 4.50 (# 713:20 Unique 1.92, 2.84 A)
&rst
ixpk= 713, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 22, 23,
&end
#
# 2 PRO HB+ 2 PRO HD+ 6.00 (# 716:20 Unique 2.98, 3.70 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 28, 29,
igr2= 22, 23,
&end
#
# 2 PRO HB+ 2 PRO HD- 8.00 (# 717:20 Unique 2.98, 3.70 A)
&rst
ixpk= 717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 28, 29,
igr2= 22, 23,
&end
#
# 0 AMB 20-2:718 2 PRO HD- 3.50 (# 718:20 Single Ambig)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 8, 9, 25, 26,
igr2= 22, 23,
&end
#
# 0 AMB 20-2:719 2 PRO HD- 4.50 (# 719:20 Single Ambig)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 8, 9, 28, 29,
igr2= 22, 23,
&end
#
# 4 GLU HN 3 SER HA 4.50 (# 720:20 Unique 2.99, 3.49 A)
&rst
ixpk= 720, nxpk= 20, iat= 46, 37, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 LEU HB- 87 SER HA 8.00 (# 721:20 Unique 2.74, 4.21 A)
&rst
ixpk= 721, nxpk= 20, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1432,1433,
&end
#
# 44 LEU HN 115 SER HB- 4.50 (# 722:20 Unique 4.41, 5.49 A)
&rst
ixpk= 722, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1931,1932,
&end
#
# 87 SER HN 0 AMB 20-1:723 3.50 (# 723:20 Single Ambig)
&rst
ixpk= 723, nxpk= 20, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1506,1507,1506,1507,
&end
#
# 0 AMB 20-2:724 0 AMB 20-1:724 6.00 (# 724:20 Double Ambig)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1573,1389,
igr2=1577,1578,1931,1932,
&end
#
# 3 SER HN 3 SER HB+ 6.00 (# 725:20 Unique 2.45, 3.34 A)
&rst
ixpk= 725, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 39, 40,
&end
#
# 86 HIS HA 0 AMB 20-1:726 6.00 (# 726:20 Single Ambig)
&rst
ixpk= 726, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1506,1507,1506,1507,
&end
#
# 1 MET HA 3 SER HB- 6.00 (# 730:20 Unique 4.31, 5.73 A)
&rst
ixpk= 730, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 39, 40,
&end
#
# 3 SER HA 3 SER HB- 3.50 (# 732:20 Unique 2.23, 2.68 A)
&rst
ixpk= 732, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 39, 40,
&end
#
# 0 AMB 20-2:733 0 AMB 20-1:733 6.00 (# 733:20 Double Ambig)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1962,1963,1962,1963,
igr2=1506,1507,1506,1507,
&end
#
# 0 AMB 20-2:734 0 AMB 20-1:734 4.50 (# 734:20 Double Ambig)
&rst
ixpk= 734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1363,1364,1365,1962,1963,
igr2=1931,1932,1506,1507,1506,1507,
&end
#
# 0 AMB 20-2:735 0 AMB 20-1:735 4.50 (# 735:20 Double Ambig)
&rst
ixpk= 735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1432,1433,1563,1564,1565,1567,1568,1569,1563,1564,
1565,1567,1568,1569,
igr2=1506,1507,1506,1507,1577,1578,
&end
#
# 0 AMB 20-2:736 0 AMB 20-1:736 3.50 (# 736:20 Double Ambig)
&rst
ixpk= 736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 778, 779, 780, 782, 783, 784,1435,
igr2=1931,1932,1506,1507,1506,1507,
&end
#
# 4 GLU HN 4 GLU HB+ 6.00 (# 737:20 Unique 2.62, 3.38 A)
&rst
ixpk= 737, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 50, 51,
&end
#
# 5 LYS HN 4 GLU HB+ 6.00 (# 738:20 Unique 1.85, 4.03 A)
&rst
ixpk= 738, nxpk= 20, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 50, 51,
&end
#
# 4 GLU HA 4 GLU HB+ 2.80 (# 739:20 Unique 2.34, 2.74 A)
&rst
ixpk= 739, nxpk= 20, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 50, 51,
&end
#
# 4 GLU HA 4 GLU HB- 3.50 (# 740:20 Unique 2.34, 2.74 A)
&rst
ixpk= 740, nxpk= 20, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 50, 51,
&end
#
# 62 GLU HN 62 GLU HG- 6.00 (# 742:20 Unique 4.05, 4.47 A)
&rst
ixpk= 742, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1071,1072,
&end
#
# 6 THR HN 5 LYS HA 4.50 (# 745:20 Unique 2.21, 2.56 A)
&rst
ixpk= 745, nxpk= 20, iat= 83, 63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 LYS HN 5 LYS HA 6.00 (# 746:20 Unique 2.81, 2.87 A)
&rst
ixpk= 746, nxpk= 20, iat= 61, 63, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:747 5 LYS HA 4.50 (# 747:20 Single Ambig)
&rst
ixpk= 747, nxpk= 20, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 65, 66, 65, 66,
&end
#
# 0 AMB 20-2:748 5 LYS HA 6.00 (# 748:20 Single Ambig)
&rst
ixpk= 748, nxpk= 20, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 71, 72, 68, 69,
&end
#
# 5 LYS HG- 5 LYS HA 6.00 (# 749:20 Unique 2.02, 2.92 A)
&rst
ixpk= 749, nxpk= 20, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 68, 69,
&end
#
# 0 AMB 20-2:750 0 AMB 20-1:750 3.50 (# 750:20 Double Ambig)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 143, 144, 143, 144,
igr2= 65, 66, 65, 66,
&end
#
# 5 LYS HN 5 LYS HG+ 6.00 (# 751:20 Unique 2.31, 4.38 A)
&rst
ixpk= 751, nxpk= 20, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 68, 69,
&end
#
# 5 LYS HN 5 LYS HG- 6.00 (# 752:20 Unique 2.31, 4.38 A)
&rst
ixpk= 752, nxpk= 20, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 68, 69,
&end
#
# 6 THR HN 5 LYS HG- 8.00 (# 753:20 Unique 1.95, 3.54 A)
&rst
ixpk= 753, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 68, 69,
&end
#
# 30 LYS HA 30 LYS HG+ 6.00 (# 754:20 Unique 2.08, 2.79 A)
&rst
ixpk= 754, nxpk= 20, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 5 LYS HA 5 LYS HG+ 6.00 (# 755:20 Unique 2.02, 2.92 A)
&rst
ixpk= 755, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 68, 69,
&end
#
# 0 AMB 20-2:756 0 AMB 20-1:756 4.50 (# 756:20 Double Ambig)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 74, 75, 74, 75,
igr2= 68, 69, 68, 69,
&end
#
# 0 AMB 20-2:758 0 AMB 20-1:758 3.50 (# 758:20 Double Ambig)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1121,1122,1121,1122, 50, 51,
igr2=1124,1125, 68, 69,
&end
#
# 0 AMB 20-2:759 0 AMB 20-1:759 2.80 (# 759:20 Double Ambig)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 65, 66, 65, 66,
igr2= 68, 69, 68, 69,
&end
#
# 0 AMB 20-2:760 65 LYS HG- 2.80 (# 760:20 Single Ambig)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1127,1128,1127,1128,
igr2=1124,1125,
&end
#
# 5 LYS HA 0 AMB 20-1:761 6.00 (# 761:20 Single Ambig)
&rst
ixpk= 761, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 71, 72, 71, 72,
&end
#
# 0 AMB 20-2:762 0 AMB 20-1:762 6.00 (# 762:20 Double Ambig)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 39, 40, 688,
igr2= 71, 72, 696, 697, 696, 697,
&end
#
# 65 LYS HA 0 AMB 20-1:763 6.00 (# 763:20 Single Ambig)
&rst
ixpk= 763, nxpk= 20, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1127,1128,1127,1128,
&end
#
# 0 AMB 20-2:764 0 AMB 20-1:764 2.80 (# 764:20 Double Ambig)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 530, 531, 530, 531, 530, 531,1130,1131,1130,1131,
1130,1131, 475, 476,
igr2= 527, 528, 527, 528, 527, 528,1127,1128,1127,1128,
1127,1128, 527, 528,
&end
#
# 0 AMB 20-2:765 0 AMB 20-1:765 2.80 (# 765:20 Double Ambig)
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 74, 75, 74, 75, 699, 700, 699, 700, 699, 700,
igr2= 71, 72, 71, 72, 696, 697, 696, 697, 696, 697,
&end
#
# 7 PHE HN 6 THR HA 4.50 (# 766:20 Unique 2.27, 2.57 A)
&rst
ixpk= 766, nxpk= 20, iat= 97, 85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 THR HN 6 THR HA 6.00 (# 768:20 Unique 2.82, 2.87 A)
&rst
ixpk= 768, nxpk= 20, iat= 83, 85, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 THR HB 6 THR HA 3.50 (# 769:20 Unique 2.79, 2.89 A)
&rst
ixpk= 769, nxpk= 20, iat= 87, 85, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:771 6 THR HA 8.00 (# 771:20 Single Ambig)
&rst
ixpk= 771, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 633, 634, 633, 634,
&end
#
# 7 PHE HN 6 THR HB 6.00 (# 773:20 Unique 2.19, 2.51 A)
&rst
ixpk= 773, nxpk= 20, iat= 97, 87, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:774 6 THR HB 8.00 (# 774:20 Single Ambig)
&rst
ixpk= 774, nxpk= 20, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 6, 628,
&end
#
# 6 THR HA 6 THR HB 6.00 (# 775:20 Unique 2.79, 2.89 A)
&rst
ixpk= 775, nxpk= 20, iat= 85, 87, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 THR MG2 6 THR HB 4.50 (# 776:20 Unique 2.45, 2.65 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 89, 90, 91,
&end
#
# 8 LYS HN 6 THR MG2 8.00 (# 777:20 Unique 3.28, 4.22 A)
&rst
ixpk= 777, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 89, 90, 91,
&end
#
# 6 THR HN 6 THR MG2 3.50 (# 779:20 Unique 3.44, 4.33 A)
&rst
ixpk= 779, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 89, 90, 91,
&end
#
# 6 THR HB 6 THR MG2 3.50 (# 781:20 Unique 2.45, 2.65 A)
&rst
ixpk= 781, nxpk= 20, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 89, 90, 91,
&end
#
# 36 GLU HA 6 THR MG2 6.00 (# 782:20 Unique 4.85, 5.72 A)
&rst
ixpk= 782, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 89, 90, 91,
&end
#
# 0 AMB 20-2:783 6 THR MG2 6.00 (# 783:20 Single Ambig)
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 699, 700, 699, 700,
igr2= 89, 90, 91,
&end
#
# 0 AMB 20-2:785 6 THR MG2 6.00 (# 785:20 Single Ambig)
&rst
ixpk= 785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 124, 125, 121, 122, 740, 741, 65, 66,
igr2= 89, 90, 91,
&end
#
# 7 PHE HN 7 PHE HB+ 6.00 (# 789:20 Unique 2.07, 2.82 A)
&rst
ixpk= 789, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 101, 102,
&end
#
# 7 PHE HN 7 PHE HB- 6.00 (# 790:20 Unique 2.07, 2.82 A)
&rst
ixpk= 790, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 101, 102,
&end
#
# 13 PHE HN 13 PHE HB- 6.00 (# 791:20 Unique 2.06, 2.64 A)
&rst
ixpk= 791, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 222, 223,
&end
#
# 0 AMB 20-2:792 7 PHE HB- 3.50 (# 792:20 Single Ambig)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 105, 113, 885,
igr2= 101, 102,
&end
#
# 0 AMB 20-2:793 0 AMB 20-1:793 2.80 (# 793:20 Double Ambig)
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 226, 234, 180,
igr2= 222, 223, 101, 102,
&end
#
# 84 ASN HA 110 TYR HB+ 6.00 (# 794:20 Unique 2.50, 4.82 A)
&rst
ixpk= 794, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1846,1847,
&end
#
# 119 PHE HA 119 PHE HB+ 3.50 (# 795:20 Unique 2.37, 2.60 A)
&rst
ixpk= 795, nxpk= 20, iat=1986, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1988,1989,
&end
#
# 7 PHE HA 7 PHE HB+ 4.50 (# 796:20 Unique 2.21, 2.50 A)
&rst
ixpk= 796, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 101, 102,
&end
#
# 0 AMB 20-2:797 0 AMB 20-1:797 6.00 (# 797:20 Double Ambig)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 99,1974,
igr2= 101, 102,1988,1989,
&end
#
# 50 THR MG2 7 PHE HB+ 6.00 (# 798:20 Unique 1.73, 3.20 A)
&rst
ixpk= 798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 877, 878, 879,
igr2= 101, 102,
&end
#
# 50 THR MG2 7 PHE HB- 6.00 (# 799:20 Unique 1.73, 3.20 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 877, 878, 879,
igr2= 101, 102,
&end
#
# 34 ILE QG2 0 AMB 20-1:800 6.00 (# 800:20 Single Ambig)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 594, 595, 596,
igr2= 101, 102,1846,1847,
&end
#
# 0 AMB 20-2:801 8 LYS HA 8.00 (# 801:20 Single Ambig)
&rst
ixpk= 801, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 139, 180,
&end
#
# 21 ARG HD- 21 ARG HA 6.00 (# 802:20 Unique 2.38, 3.72 A)
&rst
ixpk= 802, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 363, 364,
&end
#
# 8 LYS HE- 8 LYS HA 6.00 (# 803:20 Unique 2.59, 4.25 A)
&rst
ixpk= 803, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 130, 131,
&end
#
# 0 AMB 20-2:804 8 LYS HA 6.00 (# 804:20 Single Ambig)
&rst
ixpk= 804, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 124, 125, 210, 211, 212,
&end
#
# 0 AMB 20-2:805 0 AMB 20-1:805 8.00 (# 805:20 Double Ambig)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.39, r4=13.89,
igr1= 184, 185, 402, 403, 404, 386, 387, 388, 390, 391,
392,
igr2= 119, 355,
&end
#
# 20 VAL MGY 21 ARG HA 6.00 (# 806:20 Unique 3.10, 5.54 A)
&rst
ixpk= 806, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 8 LYS HN 0 AMB 20-1:807 6.00 (# 807:20 Single Ambig)
&rst
ixpk= 807, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 121, 122, 121, 122,
&end
#
# 8 LYS HN 0 AMB 20-1:808 6.00 (# 808:20 Single Ambig)
&rst
ixpk= 808, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 121, 122, 121, 122,
&end
#
# 9 GLN HN 0 AMB 20-1:809 6.00 (# 809:20 Single Ambig)
&rst
ixpk= 809, nxpk= 20, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 121, 122, 121, 122,
&end
#
# 8 LYS HA 0 AMB 20-1:810 6.00 (# 810:20 Single Ambig)
&rst
ixpk= 810, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 121, 122, 121, 122,
&end
#
# 8 LYS HE- 8 LYS HB+ 6.00 (# 811:20 Unique 2.12, 4.35 A)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 130, 131,
igr2= 121, 122,
&end
#
# 8 LYS HE- 0 AMB 20-1:812 6.00 (# 812:20 Single Ambig)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 130, 131,
igr2= 121, 122, 121, 122,
&end
#
# 0 AMB 20-2:813 0 AMB 20-1:813 3.50 (# 813:20 Double Ambig)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 127, 128, 127, 128,
igr2= 121, 122, 121, 122,
&end
#
# 0 AMB 20-2:814 0 AMB 20-1:814 3.50 (# 814:20 Double Ambig)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 127, 128, 127, 128,
igr2= 121, 122, 121, 122,
&end
#
# 0 AMB 20-2:815 0 AMB 20-1:815 3.50 (# 815:20 Double Ambig)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 127, 128, 210, 211, 212,
igr2= 121, 122, 121, 122, 121, 122,
&end
#
# 0 AMB 20-2:816 0 AMB 20-1:816 3.50 (# 816:20 Double Ambig)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 127, 128, 210, 211, 212,
igr2= 121, 122, 121, 122, 121, 122,
&end
#
# 8 LYS HN 8 LYS HG+ 6.00 (# 817:20 Unique 2.63, 3.92 A)
&rst
ixpk= 817, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 124, 125,
&end
#
# 9 GLN HN 8 LYS HG+ 6.00 (# 818:20 Unique 2.79, 5.11 A)
&rst
ixpk= 818, nxpk= 20, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 124, 125,
&end
#
# 0 AMB 20-2:819 0 AMB 20-1:819 6.00 (# 819:20 Double Ambig)
&rst
ixpk= 819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 355, 119,
igr2= 360, 361, 124, 125,
&end
#
# 8 LYS HE+ 8 LYS HG+ 6.00 (# 820:20 Unique 2.03, 3.12 A)
&rst
ixpk= 820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 130, 131,
igr2= 124, 125,
&end
#
# 12 THR HB 8 LYS HD+ 6.00 (# 822:20 Unique 4.35, 6.44 A)
&rst
ixpk= 822, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 127, 128,
&end
#
# 12 THR HB 8 LYS HD- 6.00 (# 823:20 Unique 4.35, 6.44 A)
&rst
ixpk= 823, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 127, 128,
&end
#
# 8 LYS HA 8 LYS HD- 8.00 (# 824:20 Unique 1.97, 3.58 A)
&rst
ixpk= 824, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 127, 128,
&end
#
# 8 LYS HE+ 8 LYS HD+ 6.00 (# 825:20 Unique 2.22, 2.65 A)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 130, 131,
igr2= 127, 128,
&end
#
# 8 LYS HE+ 8 LYS HD- 6.00 (# 826:20 Unique 2.22, 2.65 A)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 130, 131,
igr2= 127, 128,
&end
#
# 8 LYS HE- 8 LYS HD+ 6.00 (# 827:20 Unique 2.22, 2.65 A)
&rst
ixpk= 827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 130, 131,
igr2= 127, 128,
&end
#
# 8 LYS HE- 8 LYS HD- 6.00 (# 828:20 Unique 2.22, 2.65 A)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 130, 131,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:829 0 AMB 20-1:829 2.80 (# 829:20 Double Ambig)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 121, 122, 121, 122, 124, 125,
igr2= 127, 128, 127, 128, 127, 128,
&end
#
# 0 AMB 20-2:830 8 LYS HD- 2.80 (# 830:20 Single Ambig)
&rst
ixpk= 830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 121, 122, 121, 122, 124, 125,
igr2= 127, 128,
&end
#
# 0 AMB 20-2:834 0 AMB 20-1:834 6.00 (# 834:20 Double Ambig)
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 226, 234, 139,
igr2= 130, 131, 130, 131,
&end
#
# 0 AMB 20-2:835 8 LYS HE- 6.00 (# 835:20 Single Ambig)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 226, 234, 139,
igr2= 130, 131,
&end
#
# 12 THR HB 8 LYS HE+ 6.00 (# 836:20 Unique 3.91, 5.35 A)
&rst
ixpk= 836, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 130, 131,
&end
#
# 12 THR HB 8 LYS HE- 6.00 (# 837:20 Unique 3.91, 5.35 A)
&rst
ixpk= 837, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 130, 131,
&end
#
# 0 AMB 20-2:839 0 AMB 20-1:839 4.50 (# 839:20 Double Ambig)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 124, 125, 121, 122, 121, 122,
igr2= 130, 131, 130, 131, 130, 131,
&end
#
# 0 AMB 20-2:840 8 LYS HE- 4.50 (# 840:20 Single Ambig)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 124, 125, 121, 122,
igr2= 130, 131,
&end
#
# 0 AMB 20-2:841 8 LYS HE- 3.50 (# 841:20 Single Ambig)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 127, 128, 210, 211, 212,
igr2= 130, 131,
&end
#
# 8 LYS HD+ 8 LYS HE+ 4.50 (# 842:20 Unique 2.22, 2.65 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 127, 128,
igr2= 130, 131,
&end
#
# 12 THR MG2 8 LYS HE+ 3.50 (# 843:20 Unique 2.61, 4.85 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 210, 211, 212,
igr2= 130, 131,
&end
#
# 39 LYS HN 39 LYS HB+ 4.50 (# 845:20 Unique 2.08, 3.02 A)
&rst
ixpk= 845, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 690, 691,
&end
#
# 10 ARG HN 10 ARG HB+ 6.00 (# 846:20 Unique 2.65, 3.42 A)
&rst
ixpk= 846, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 160, 161,
&end
#
# 38 TYR HD 39 LYS HB+ 8.00 (# 848:20 Unique 4.24, 6.89 A)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 673, 682,
igr2= 690, 691,
&end
#
# 10 ARG HA 10 ARG HB+ 6.00 (# 849:20 Unique 2.27, 2.44 A)
&rst
ixpk= 849, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 160, 161,
&end
#
# 10 ARG HN 10 ARG HG- 6.00 (# 852:20 Unique 1.74, 2.51 A)
&rst
ixpk= 852, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 163, 164,
&end
#
# 10 ARG HA 10 ARG HG+ 6.00 (# 853:20 Unique 3.51, 3.72 A)
&rst
ixpk= 853, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 163, 164,
&end
#
# 10 ARG HA 10 ARG HG- 6.00 (# 854:20 Unique 3.51, 3.72 A)
&rst
ixpk= 854, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 163, 164,
&end
#
# 0 AMB 20-2:855 0 AMB 20-1:855 2.80 (# 855:20 Double Ambig)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 425, 426, 425, 426, 363, 364,
igr2= 562, 563, 422, 423, 360, 361,
&end
#
# 0 AMB 20-2:856 0 AMB 20-1:856 2.80 (# 856:20 Double Ambig)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1235,1236,1211,1212,1211,1212,
igr2=1232,1233,1208,1209,1208,1209,1208,1209,
&end
#
# 7 PHE HB+ 10 ARG HG- 6.00 (# 857:20 Unique 3.01, 4.99 A)
&rst
ixpk= 857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 101, 102,
igr2= 163, 164,
&end
#
# 0 AMB 20-2:858 10 ARG HG- 6.00 (# 858:20 Single Ambig)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 166, 167, 166, 167,
igr2= 163, 164,
&end
#
# 21 ARG HE 21 ARG HD- 6.00 (# 860:20 Unique 2.29, 2.73 A)
&rst
ixpk= 860, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 18 GLU HA 21 ARG HD- 6.00 (# 862:20 Unique 3.27, 5.01 A)
&rst
ixpk= 862, nxpk= 20, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 21 ARG HB+ 21 ARG HD- 3.50 (# 863:20 Unique 2.01, 3.13 A)
&rst
ixpk= 863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 357, 358,
igr2= 363, 364,
&end
#
# 21 ARG HB- 21 ARG HD- 3.50 (# 864:20 Unique 2.01, 3.13 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 357, 358,
igr2= 363, 364,
&end
#
# 21 ARG HG+ 21 ARG HD- 2.80 (# 865:20 Unique 2.22, 2.67 A)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 360, 361,
igr2= 363, 364,
&end
#
# 21 ARG HG- 21 ARG HD- 3.50 (# 866:20 Unique 2.22, 2.67 A)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 360, 361,
igr2= 363, 364,
&end
#
# 17 VAL MGX 21 ARG HD- 6.00 (# 867:20 Unique 3.91, 7.30 A)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 300, 301, 302, 304, 305, 306,
igr2= 363, 364,
&end
#
# 0 AMB 20-2:869 21 ARG HD- 6.00 (# 869:20 Single Ambig)
&rst
ixpk= 869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 377, 353,
igr2= 363, 364,
&end
#
# 14 GLU HN 13 PHE HA 8.00 (# 870:20 Unique 3.51, 3.54 A)
&rst
ixpk= 870, nxpk= 20, iat= 238, 220, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 91 VAL HB 90 SER HB+ 6.00 (# 873:20 Unique 4.92, 5.67 A)
&rst
ixpk= 873, nxpk= 20, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1550,1551,
&end
#
# 14 GLU HN 13 PHE HB+ 6.00 (# 874:20 Unique 1.99, 3.04 A)
&rst
ixpk= 874, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 222, 223,
&end
#
# 12 THR HB 13 PHE HB+ 8.00 (# 875:20 Unique 3.36, 4.03 A)
&rst
ixpk= 875, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 222, 223,
&end
#
# 12 THR HA 13 PHE HB+ 8.00 (# 876:20 Unique 4.53, 5.10 A)
&rst
ixpk= 876, nxpk= 20, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 222, 223,
&end
#
# 13 PHE HA 13 PHE HB- 4.50 (# 877:20 Unique 2.34, 2.78 A)
&rst
ixpk= 877, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 222, 223,
&end
#
# 0 AMB 20-2:881 0 AMB 20-1:881 6.00 (# 881:20 Double Ambig)
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 208, 628,1919, 6,
igr2= 222, 223, 101, 102, 669, 670,
&end
#
# 17 VAL HN 14 GLU HA 6.00 (# 882:20 Unique 3.51, 3.93 A)
&rst
ixpk= 882, nxpk= 20, iat= 294, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 GLN HN 14 GLU HA 8.00 (# 883:20 Unique 3.55, 3.56 A)
&rst
ixpk= 883, nxpk= 20, iat= 253, 240, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 18 GLU HN 14 GLU HA 8.00 (# 884:20 Unique 3.98, 4.20 A)
&rst
ixpk= 884, nxpk= 20, iat= 310, 240, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 13 PHE HD 14 GLU HA 6.00 (# 885:20 Unique 2.90, 5.51 A)
&rst
ixpk= 885, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 226, 234,
&end
#
# 14 GLU HB- 14 GLU HA 3.50 (# 886:20 Unique 2.48, 2.76 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 242, 243,
&end
#
# 17 VAL MGY 14 GLU HA 4.50 (# 887:20 Unique 3.61, 5.14 A)
&rst
ixpk= 887, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 15 GLN HN 14 GLU HB+ 6.00 (# 888:20 Unique 1.95, 2.40 A)
&rst
ixpk= 888, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 242, 243,
&end
#
# 15 GLN HN 14 GLU HB- 6.00 (# 889:20 Unique 1.95, 2.40 A)
&rst
ixpk= 889, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 242, 243,
&end
#
# 14 GLU HA 14 GLU HB+ 3.50 (# 890:20 Unique 2.48, 2.76 A)
&rst
ixpk= 890, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 242, 243,
&end
#
# 14 GLU HG+ 14 GLU HB- 3.50 (# 891:20 Unique 2.20, 2.66 A)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 245, 246,
igr2= 242, 243,
&end
#
# 14 GLU HN 14 GLU HG+ 6.00 (# 894:20 Unique 2.32, 2.97 A)
&rst
ixpk= 894, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 245, 246,
&end
#
# 15 GLN HN 14 GLU HG+ 8.00 (# 895:20 Unique 4.12, 4.39 A)
&rst
ixpk= 895, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 245, 246,
&end
#
# 13 PHE HD 14 GLU HG- 6.00 (# 897:20 Unique 2.56, 6.34 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 226, 234,
igr2= 245, 246,
&end
#
# 14 GLU HA 14 GLU HG+ 6.00 (# 898:20 Unique 2.31, 2.96 A)
&rst
ixpk= 898, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 245, 246,
&end
#
# 14 GLU HA 14 GLU HG- 3.50 (# 899:20 Unique 2.31, 2.96 A)
&rst
ixpk= 899, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 245, 246,
&end
#
# 13 PHE HB- 14 GLU HG- 6.00 (# 902:20 Unique 3.27, 4.87 A)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 222, 223,
igr2= 245, 246,
&end
#
# 14 GLU HB+ 14 GLU HG+ 3.50 (# 907:20 Unique 2.20, 2.66 A)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 242, 243,
igr2= 245, 246,
&end
#
# 14 GLU HB+ 14 GLU HG- 2.80 (# 908:20 Unique 2.20, 2.66 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 242, 243,
igr2= 245, 246,
&end
#
# 14 GLU HB- 14 GLU HG+ 3.50 (# 909:20 Unique 2.20, 2.66 A)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 242, 243,
igr2= 245, 246,
&end
#
# 14 GLU HB- 14 GLU HG- 3.50 (# 910:20 Unique 2.20, 2.66 A)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 242, 243,
igr2= 245, 246,
&end
#
# 0 AMB 20-2:912 18 GLU HA 4.50 (# 912:20 Single Ambig)
&rst
ixpk= 912, nxpk= 20, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 353, 377,
&end
#
# 0 AMB 20-2:913 18 GLU HA 6.00 (# 913:20 Single Ambig)
&rst
ixpk= 913, nxpk= 20, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 366, 337,
&end
#
# 18 GLU HN 18 GLU HA 4.50 (# 914:20 Unique 2.75, 2.78 A)
&rst
ixpk= 914, nxpk= 20, iat= 310, 312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:915 18 GLU HA 6.00 (# 915:20 Single Ambig)
&rst
ixpk= 915, nxpk= 20, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 363, 364, 329, 330, 329, 330,
&end
#
# 21 ARG HD- 18 GLU HA 8.00 (# 916:20 Unique 3.27, 5.01 A)
&rst
ixpk= 916, nxpk= 20, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 363, 364,
&end
#
# 0 AMB 20-2:917 18 GLU HA 4.50 (# 917:20 Single Ambig)
&rst
ixpk= 917, nxpk= 20, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 317, 318, 317, 318,
&end
#
# 0 AMB 20-2:918 18 GLU HA 2.80 (# 918:20 Single Ambig)
&rst
ixpk= 918, nxpk= 20, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 314, 315, 314, 315,
&end
#
# 22 LEU MDX 18 GLU HA 6.00 (# 920:20 Unique 2.95, 5.39 A)
&rst
ixpk= 920, nxpk= 20, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 386, 387, 388, 390, 391, 392,
&end
#
# 17 VAL MGX 18 GLU HA 6.00 (# 921:20 Unique 2.79, 5.25 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 19 ASP HN 0 AMB 20-1:922 4.50 (# 922:20 Single Ambig)
&rst
ixpk= 922, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 314, 315, 314, 315,
&end
#
# 18 GLU HN 0 AMB 20-1:923 2.80 (# 923:20 Single Ambig)
&rst
ixpk= 923, nxpk= 20, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 314, 315, 314, 315,
&end
#
# 18 GLU HA 0 AMB 20-1:924 2.80 (# 924:20 Single Ambig)
&rst
ixpk= 924, nxpk= 20, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 314, 315, 314, 315,
&end
#
# 19 ASP HA 0 AMB 20-1:925 6.00 (# 925:20 Single Ambig)
&rst
ixpk= 925, nxpk= 20, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 314, 315, 314, 315,
&end
#
# 0 AMB 20-2:927 0 AMB 20-1:927 2.80 (# 927:20 Double Ambig)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 317, 318, 317, 318, 317, 318,
igr2= 314, 315, 314, 315, 314, 315,
&end
#
# 17 VAL MGX 0 AMB 20-1:928 6.00 (# 928:20 Single Ambig)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 300, 301, 302, 304, 305, 306,
igr2= 314, 315, 314, 315,
&end
#
# 17 VAL MGY 0 AMB 20-1:929 8.00 (# 929:20 Single Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1= 300, 301, 302, 304, 305, 306,
igr2= 314, 315, 314, 315,
&end
#
# 16 ARG HN 16 ARG HA 6.00 (# 930:20 Unique 2.68, 2.78 A)
&rst
ixpk= 930, nxpk= 20, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 ARG HN 16 ARG HA 8.00 (# 932:20 Unique 5.63, 6.29 A)
&rst
ixpk= 932, nxpk= 20, iat= 180, 272, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 43 GLN HA 43 GLN HB+ 3.50 (# 936:20 Unique 2.25, 2.65 A)
&rst
ixpk= 936, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 756, 757,
&end
#
# 109 LEU MDY 102 GLU HB+ 2.80 (# 938:20 Unique 1.61, 4.03 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1832,1833,1834,1836,1837,1838,
igr2=1724,1725,
&end
#
# 69 ARG HN 0 AMB 20-1:939 6.00 (# 939:20 Single Ambig)
&rst
ixpk= 939, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1208,1209,1232,1233,
&end
#
# 49 LYS HE+ 70 ARG HG+ 8.00 (# 940:20 Unique 2.00, 4.98 A)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 862, 863,
igr2=1232,1233,
&end
#
# 68 ARG HD- 69 ARG HG+ 8.00 (# 941:20 Unique 4.08, 6.69 A)
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1187,1188,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:944 0 AMB 20-1:944 6.00 (# 944:20 Double Ambig)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 274, 275, 274, 275, 565, 566,
igr2= 277, 278, 277, 278, 562, 563,
&end
#
# 20 VAL MGX 0 AMB 20-1:945 6.00 (# 945:20 Single Ambig)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 562, 563, 422, 423, 277, 278,
&end
#
# 17 VAL HN 17 VAL HA 6.00 (# 946:20 Unique 2.80, 2.81 A)
&rst
ixpk= 946, nxpk= 20, iat= 294, 296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 ARG HN 17 VAL HA 8.00 (# 947:20 Unique 4.07, 4.37 A)
&rst
ixpk= 947, nxpk= 20, iat= 353, 296, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 18 GLU HN 17 VAL HA 6.00 (# 948:20 Unique 3.54, 3.56 A)
&rst
ixpk= 948, nxpk= 20, iat= 310, 296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 VAL MGX 17 VAL HA 6.00 (# 951:20 Unique 3.63, 4.94 A)
&rst
ixpk= 951, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 17 VAL HN 17 VAL HB 4.50 (# 953:20 Unique 2.30, 2.37 A)
&rst
ixpk= 953, nxpk= 20, iat= 294, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLU HN 17 VAL HB 4.50 (# 954:20 Unique 2.32, 2.43 A)
&rst
ixpk= 954, nxpk= 20, iat= 310, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:956 17 VAL HB 8.00 (# 956:20 Single Ambig)
&rst
ixpk= 956, nxpk= 20, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 312,1786,
&end
#
# 106 ASP HB- 17 VAL MGY 6.00 (# 958:20 Unique 1.85, 5.24 A)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1788,1789,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 20-2:960 17 VAL MGY 6.00 (# 960:20 Single Ambig)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 314, 315, 314, 315,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 21 ARG HN 17 VAL MGX 6.00 (# 963:20 Unique 4.36, 6.10 A)
&rst
ixpk= 963, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 18 GLU HN 17 VAL MGX 4.50 (# 964:20 Unique 2.49, 4.22 A)
&rst
ixpk= 964, nxpk= 20, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 20-2:965 17 VAL MGX 8.00 (# 965:20 Single Ambig)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1= 226, 234, 283,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 13 PHE HE 17 VAL MGX 6.00 (# 966:20 Unique 2.03, 6.32 A)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 228, 232,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 20-2:967 17 VAL MGX 6.00 (# 967:20 Single Ambig)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 317, 318, 317, 318,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 20-2:968 17 VAL MGX 4.50 (# 968:20 Single Ambig)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 314, 315, 314, 315,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 20-2:970 17 VAL MGX 2.80 (# 970:20 Single Ambig)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 298, 360, 361,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 99 TYR HN 0 AMB 20-1:972 6.00 (# 972:20 Single Ambig)
&rst
ixpk= 972, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1698,1699,1698,1699,
&end
#
# 99 TYR HD 0 AMB 20-1:974 6.00 (# 974:20 Single Ambig)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1681,1690,
igr2=1698,1699,1698,1699,
&end
#
# 101 SER HA 0 AMB 20-1:975 6.00 (# 975:20 Single Ambig)
&rst
ixpk= 975, nxpk= 20, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1698,1699,1698,1699,
&end
#
# 0 AMB 20-2:976 0 AMB 20-1:976 2.80 (# 976:20 Double Ambig)
&rst
ixpk= 976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1701,1702,1701,1702,1701,1702,
igr2=1698,1699,1698,1699,1698,1699,
&end
#
# 0 AMB 20-2:977 0 AMB 20-1:977 6.00 (# 977:20 Double Ambig)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 386, 387, 388, 390, 391, 392, 402, 403, 404,
igr2= 443, 444, 443, 444, 443, 444,
&end
#
# 18 GLU HN 0 AMB 20-1:978 4.50 (# 978:20 Single Ambig)
&rst
ixpk= 978, nxpk= 20, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 20-2:979 0 AMB 20-1:979 8.00 (# 979:20 Double Ambig)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 377, 353,
igr2= 317, 318, 317, 318, 317, 318,
&end
#
# 99 TYR HD 0 AMB 20-1:980 6.00 (# 980:20 Single Ambig)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1681,1690,
igr2=1701,1702,1701,1702,
&end
#
# 100 GLU HA 0 AMB 20-1:981 3.50 (# 981:20 Single Ambig)
&rst
ixpk= 981, nxpk= 20, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1701,1702,1701,1702,
&end
#
# 0 AMB 20-2:983 0 AMB 20-1:983 2.80 (# 983:20 Double Ambig)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1698,1699,1698,1699,1698,1699,
igr2=1701,1702,1701,1702,1701,1702,
&end
#
# 0 AMB 20-2:984 0 AMB 20-1:984 2.80 (# 984:20 Double Ambig)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 314, 315, 314, 315, 314, 315,1346,1347,
igr2= 317, 318, 317, 318, 317, 318,1349,1350,
&end
#
# 0 AMB 20-2:985 0 AMB 20-1:985 4.50 (# 985:20 Double Ambig)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 298, 384, 274, 275,
igr2= 317, 318, 317, 318, 317, 318, 317, 318,
&end
#
# 22 LEU MDX 0 AMB 20-1:986 3.50 (# 986:20 Single Ambig)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 386, 387, 388, 390, 391, 392,
igr2= 317, 318, 317, 318,
&end
#
# 17 VAL MGX 0 AMB 20-1:987 6.00 (# 987:20 Single Ambig)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 300, 301, 302, 304, 305, 306,
igr2= 317, 318, 317, 318,
&end
#
# 103 LYS HD- 0 AMB 20-1:988 8.00 (# 988:20 Single Ambig)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1745,1746,
igr2=1701,1702,1701,1702,
&end
#
# 127 ASP HN 19 ASP HA 6.00 (# 990:20 Unique 2.79, 3.83 A)
&rst
ixpk= 990, nxpk= 20, iat=2097, 327, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:993 19 ASP HA 3.50 (# 993:20 Single Ambig)
&rst
ixpk= 993, nxpk= 20, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 329, 330, 329, 330,
&end
#
# 0 AMB 20-2:994 19 ASP HA 6.00 (# 994:20 Single Ambig)
&rst
ixpk= 994, nxpk= 20, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 384, 400,
&end
#
# 22 LEU HB- 19 ASP HA 6.00 (# 995:20 Unique 4.46, 5.33 A)
&rst
ixpk= 995, nxpk= 20, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 381, 382,
&end
#
# 22 LEU MDX 19 ASP HA 4.50 (# 996:20 Unique 1.72, 3.53 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 386, 387, 388, 390, 391, 392,
&end
#
# 19 ASP HN 0 AMB 20-1:997 3.50 (# 997:20 Single Ambig)
&rst
ixpk= 997, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 329, 330, 329, 330,
&end
#
# 20 VAL HN 0 AMB 20-1:998 4.50 (# 998:20 Single Ambig)
&rst
ixpk= 998, nxpk= 20, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 329, 330, 329, 330,
&end
#
# 18 GLU HN 0 AMB 20-1:999 6.00 (# 999:20 Single Ambig)
&rst
ixpk= 999, nxpk= 20, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 329, 330, 329, 330,
&end
#
# 19 ASP HA 0 AMB 20-1:1001 4.50 (# 1001:20 Single Ambig)
&rst
ixpk= 1001, nxpk= 20, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 329, 330, 329, 330,
&end
#
# 16 ARG HA 0 AMB 20-1:1002 6.00 (# 1002:20 Single Ambig)
&rst
ixpk= 1002, nxpk= 20, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 329, 330, 329, 330,
&end
#
# 0 AMB 20-2:1004 0 AMB 20-1:1004 6.00 (# 1004:20 Double Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 314, 315, 314, 315, 314, 315,
igr2= 329, 330, 329, 330, 329, 330,
&end
#
# 20 VAL MGX 0 AMB 20-1:1005 6.00 (# 1005:20 Single Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 329, 330, 329, 330,
&end
#
# 24 ARG HN 20 VAL HA 8.00 (# 1006:20 Unique 3.63, 3.76 A)
&rst
ixpk= 1006, nxpk= 20, iat= 415, 339, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:1007 20 VAL HA 6.00 (# 1007:20 Single Ambig)
&rst
ixpk= 1007, nxpk= 20, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 353, 377,
&end
#
# 20 VAL HN 20 VAL HA 6.00 (# 1008:20 Unique 2.76, 2.84 A)
&rst
ixpk= 1008, nxpk= 20, iat= 337, 339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 VAL HA 0 AMB 20-1:1010 6.00 (# 1010:20 Single Ambig)
&rst
ixpk= 1010, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 341, 274, 275,
&end
#
# 108 PHE HN 20 VAL MGX 6.00 (# 1011:20 Unique 3.43, 5.85 A)
&rst
ixpk= 1011, nxpk= 20, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 24 ARG HN 20 VAL MGY 6.00 (# 1012:20 Unique 4.21, 5.77 A)
&rst
ixpk= 1012, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 23 ILE HN 20 VAL MGY 8.00 (# 1013:20 Unique 5.29, 6.47 A)
&rst
ixpk= 1013, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 21 ARG HN 20 VAL MGY 6.00 (# 1015:20 Unique 3.21, 4.78 A)
&rst
ixpk= 1015, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 129 TYR HH 20 VAL MGX 8.00 (# 1017:20 Unique 3.37, 5.76 A)
&rst
ixpk= 1017, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 108 PHE HA 20 VAL MGX 6.00 (# 1019:20 Unique 3.49, 5.75 A)
&rst
ixpk= 1019, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 107 GLY HA+ 20 VAL MGY 4.50 (# 1020:20 Unique 2.51, 5.86 A)
&rst
ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1798,1799,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:1021 20 VAL MGX 8.00 (# 1021:20 Single Ambig)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1786, 312,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 17 VAL HA 20 VAL MGX 6.00 (# 1022:20 Unique 3.63, 4.94 A)
&rst
ixpk= 1022, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 21 ARG HA 20 VAL MGY 6.00 (# 1023:20 Unique 3.10, 5.54 A)
&rst
ixpk= 1023, nxpk= 20, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 32 PRO HD+ 20 VAL MGX 8.00 (# 1024:20 Unique 3.29, 5.59 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 559, 560,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:1025 20 VAL MGY 3.50 (# 1025:20 Single Ambig)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 339, 329, 330, 329, 330,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 16 ARG HD- 20 VAL MGY 6.00 (# 1026:20 Unique 2.05, 5.83 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 280, 281,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 32 PRO HB+ 20 VAL MGX 6.00 (# 1027:20 Unique 1.77, 3.66 A)
&rst
ixpk= 1027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 565, 566,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:1028 20 VAL MGX 6.00 (# 1028:20 Single Ambig)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 419, 420, 357, 358,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:1029 20 VAL MGX 4.50 (# 1029:20 Single Ambig)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 562, 563, 422, 423,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:1030 20 VAL MGY 2.80 (# 1030:20 Single Ambig)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 565, 566, 341,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 20-2:1031 20 VAL MGY 3.50 (# 1031:20 Single Ambig)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 562, 563, 422, 423,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 4 GLU HN 4 GLU HB- 6.00 (# 1034:20 Unique 2.62, 3.38 A)
&rst
ixpk= 1034, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 50, 51,
&end
#
# 70 ARG HN 0 AMB 20-1:1035 2.80 (# 1035:20 Single Ambig)
&rst
ixpk= 1035, nxpk= 20, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1229,1230,1229,1230,1205,1206,
&end
#
# 0 AMB 20-2:1036 0 AMB 20-1:1036 6.00 (# 1036:20 Double Ambig)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 300, 301, 302, 304, 305, 306,1164,1165,1166,
igr2= 357, 358,1229,1230,1229,1230,
&end
#
# 0 AMB 20-2:1037 0 AMB 20-1:1037 8.00 (# 1037:20 Double Ambig)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1249,1268,
igr2=1232,1233,1208,1209,
&end
#
# 69 ARG HN 69 ARG HG- 6.00 (# 1039:20 Unique 2.59, 4.18 A)
&rst
ixpk= 1039, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:1040 0 AMB 20-1:1040 6.00 (# 1040:20 Double Ambig)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1238,1214,
igr2=1232,1233,1208,1209,
&end
#
# 69 ARG HA 69 ARG HG- 4.50 (# 1041:20 Unique 2.06, 2.84 A)
&rst
ixpk= 1041, nxpk= 20, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1208,1209,
&end
#
# 72 GLN HA 69 ARG HG- 8.00 (# 1042:20 Unique 4.54, 6.35 A)
&rst
ixpk= 1042, nxpk= 20, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1208,1209,
&end
#
# 66 ILE HA 0 AMB 20-1:1043 6.00 (# 1043:20 Single Ambig)
&rst
ixpk= 1043, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1208,1209,1232,1233,
&end
#
# 1 MET HA 0 AMB 20-1:1046 4.50 (# 1046:20 Single Ambig)
&rst
ixpk= 1046, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 166, 167, 166, 167,
&end
#
# 69 ARG HA 0 AMB 20-1:1048 4.50 (# 1048:20 Single Ambig)
&rst
ixpk= 1048, nxpk= 20, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1211,1212,1211,1212,
&end
#
# 0 AMB 20-2:1050 0 AMB 20-1:1050 2.80 (# 1050:20 Double Ambig)
&rst
ixpk= 1050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 898, 899, 160, 161, 160, 161,1205,1206,1229,1230,
1229,1230,
igr2= 166, 167, 166, 167, 166, 167,1211,1212,1211,1212,
1235,1236,
&end
#
# 0 AMB 20-2:1051 0 AMB 20-1:1051 2.80 (# 1051:20 Double Ambig)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 160, 161,1232,1233,1208,1209,1181,1182,
igr2= 166, 167, 166, 167,1235,1236,1211,1212,1211,1212,
1211,1212,
&end
#
# 0 AMB 20-2:1052 0 AMB 20-1:1052 2.80 (# 1052:20 Double Ambig)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1232,1233,1208,1209,1208,1209,1208,1209,
igr2=1235,1236,1211,1212,1211,1212,
&end
#
# 23 ILE HN 22 LEU HA 6.00 (# 1053:20 Unique 3.39, 3.48 A)
&rst
ixpk= 1053, nxpk= 20, iat= 396, 379, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 LEU HN 22 LEU HA 4.50 (# 1054:20 Unique 2.78, 2.81 A)
&rst
ixpk= 1054, nxpk= 20, iat= 377, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLU HN 22 LEU HA 6.00 (# 1055:20 Unique 3.11, 3.40 A)
&rst
ixpk= 1055, nxpk= 20, iat= 439, 379, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1056 22 LEU HA 4.50 (# 1056:20 Single Ambig)
&rst
ixpk= 1056, nxpk= 20, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 443, 444, 443, 444,
&end
#
# 0 AMB 20-2:1057 22 LEU HA 3.50 (# 1057:20 Single Ambig)
&rst
ixpk= 1057, nxpk= 20, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 386, 387, 388, 390, 391, 392, 402, 403, 404,
&end
#
# 0 AMB 20-2:1058 22 LEU HB- 6.00 (# 1058:20 Single Ambig)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 396,2097,
igr2= 381, 382,
&end
#
# 26 GLN HE2- 22 LEU HB- 8.00 (# 1059:20 Unique 3.00, 5.75 A)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 466, 467,
igr2= 381, 382,
&end
#
# 19 ASP HA 22 LEU HB+ 6.00 (# 1060:20 Unique 4.46, 5.33 A)
&rst
ixpk= 1060, nxpk= 20, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 381, 382,
&end
#
# 19 ASP HA 22 LEU HB- 6.00 (# 1061:20 Unique 4.46, 5.33 A)
&rst
ixpk= 1061, nxpk= 20, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 381, 382,
&end
#
# 0 AMB 20-2:1062 22 LEU HB- 6.00 (# 1062:20 Single Ambig)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 443, 444, 443, 444,
igr2= 381, 382,
&end
#
# 22 LEU HG 22 LEU HB+ 3.50 (# 1064:20 Unique 2.26, 2.57 A)
&rst
ixpk= 1064, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 381, 382,
&end
#
# 22 LEU HG 22 LEU HB- 2.80 (# 1065:20 Unique 2.26, 2.57 A)
&rst
ixpk= 1065, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 381, 382,
&end
#
# 23 ILE HN 22 LEU HG 8.00 (# 1066:20 Unique 1.99, 3.45 A)
&rst
ixpk= 1066, nxpk= 20, iat= 396, 384, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 22 LEU HN 22 LEU HG 3.50 (# 1067:20 Unique 1.88, 3.02 A)
&rst
ixpk= 1067, nxpk= 20, iat= 377, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1068 0 AMB 20-1:1068 8.00 (# 1068:20 Double Ambig)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 327, 206,
igr2= 384, 124, 125,
&end
#
# 0 AMB 20-2:1069 22 LEU HG 4.50 (# 1069:20 Single Ambig)
&rst
ixpk= 1069, nxpk= 20, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 379, 398,
&end
#
# 26 GLN HG+ 22 LEU HG 6.00 (# 1070:20 Unique 5.12, 6.67 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 461, 462,
&end
#
# 0 AMB 20-2:1071 22 LEU HG 6.00 (# 1071:20 Single Ambig)
&rst
ixpk= 1071, nxpk= 20, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 317, 318, 317, 318,
&end
#
# 22 LEU HB+ 22 LEU HG 2.80 (# 1072:20 Unique 2.26, 2.57 A)
&rst
ixpk= 1072, nxpk= 20, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 381, 382,
&end
#
# 22 LEU HN 22 LEU MDX 6.00 (# 1073:20 Unique 1.40, 3.34 A)
&rst
ixpk= 1073, nxpk= 20, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 26 GLN HE2+ 22 LEU MDX 6.00 (# 1074:20 Unique 2.25, 6.07 A)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 466, 467,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 0 AMB 20-2:1078 22 LEU MDX 3.50 (# 1078:20 Single Ambig)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 317, 318, 317, 318,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 0 AMB 20-2:1080 22 LEU MDX 2.80 (# 1080:20 Single Ambig)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 384, 400,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 22 LEU HB- 22 LEU MDX 2.80 (# 1081:20 Unique 2.32, 3.38 A)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 381, 382,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 22 LEU HA 22 LEU MDY 4.50 (# 1082:20 Unique 3.54, 4.43 A)
&rst
ixpk= 1082, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 0 AMB 20-2:1083 22 LEU MDY 4.50 (# 1083:20 Single Ambig)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 357, 358, 381, 382,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 22 LEU HB- 22 LEU MDY 3.50 (# 1084:20 Unique 2.32, 3.38 A)
&rst
ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 381, 382,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 24 ARG HN 23 ILE HA 6.00 (# 1085:20 Unique 3.52, 3.53 A)
&rst
ixpk= 1085, nxpk= 20, iat= 415, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1086 0 AMB 20-1:1086 6.00 (# 1086:20 Double Ambig)
&rst
ixpk= 1086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 454,1031,1032,
igr2= 398,1055,
&end
#
# 27 HIS HD2 23 ILE HA 6.00 (# 1087:20 Unique 3.46, 4.08 A)
&rst
ixpk= 1087, nxpk= 20, iat= 485, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 GLN HG- 23 ILE HA 6.00 (# 1088:20 Unique 1.97, 2.77 A)
&rst
ixpk= 1088, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 461, 462,
&end
#
# 0 AMB 20-2:1089 61 SER HA 6.00 (# 1089:20 Single Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1040,1041,1561,
&end
#
# 64 ILE HB 61 SER HA 3.50 (# 1090:20 Unique 2.19, 2.60 A)
&rst
ixpk= 1090, nxpk= 20, iat=1102,1055, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1091 23 ILE HA 4.50 (# 1091:20 Single Ambig)
&rst
ixpk= 1091, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 400, 458, 459,
&end
#
# 0 AMB 20-2:1092 0 AMB 20-1:1092 6.00 (# 1092:20 Double Ambig)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1124,1125, 381, 382,
igr2=1055, 398,
&end
#
# 23 ILE HG1- 23 ILE HA 6.00 (# 1093:20 Unique 2.05, 2.73 A)
&rst
ixpk= 1093, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 406, 407,
&end
#
# 0 AMB 20-2:1094 0 AMB 20-1:1094 3.50 (# 1094:20 Double Ambig)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 386, 387, 388, 390, 391, 392,1104,1105,1106,
igr2= 398,1055,
&end
#
# 23 ILE QD1 23 ILE HA 3.50 (# 1095:20 Unique 2.15, 3.95 A)
&rst
ixpk= 1095, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 409, 410, 411,
&end
#
# 23 ILE HG1+ 23 ILE HA 6.00 (# 1096:20 Unique 2.05, 2.73 A)
&rst
ixpk= 1096, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 406, 407,
&end
#
# 0 AMB 20-2:1098 0 AMB 20-1:1098 6.00 (# 1098:20 Double Ambig)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1631, 471,1079,
igr2=1616, 543, 400,
&end
#
# 97 GLU HN 95 ILE HB 8.00 (# 1099:20 Unique 5.91, 6.24 A)
&rst
ixpk= 1099, nxpk= 20, iat=1642,1616, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:1100 0 AMB 20-1:1100 6.00 (# 1100:20 Double Ambig)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1038,1608, 972,
igr2=1616, 543,
&end
#
# 23 ILE HA 23 ILE HB 4.50 (# 1101:20 Unique 2.57, 2.60 A)
&rst
ixpk= 1101, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1102 0 AMB 20-1:1102 8.00 (# 1102:20 Double Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 980, 981, 461, 462,
igr2= 543, 400,
&end
#
# 0 AMB 20-2:1103 0 AMB 20-1:1103 3.50 (# 1103:20 Double Ambig)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 950, 381, 382,
igr2= 543,1616, 400,
&end
#
# 0 AMB 20-2:1104 0 AMB 20-1:1104 4.50 (# 1104:20 Double Ambig)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1622,1623,1622,1623,
igr2=1616, 543,
&end
#
# 0 AMB 20-2:1105 0 AMB 20-1:1105 2.80 (# 1105:20 Double Ambig)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1618,1619,1620, 402, 403, 404, 386, 387, 388, 390,
391, 392,
igr2= 543,1616, 400,
&end
#
# 0 AMB 20-2:1106 0 AMB 20-1:1106 2.80 (# 1106:20 Double Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1088,1089,1090,1092,1093,1094, 409, 410, 411,1625,
1626,1627,1012,1013,1014,1016,1017,1018,
igr2=1616, 400, 543,
&end
#
# 23 ILE HA 23 ILE HG1+ 6.00 (# 1107:20 Unique 2.05, 2.73 A)
&rst
ixpk= 1107, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 406, 407,
&end
#
# 23 ILE HB 23 ILE HG1+ 6.00 (# 1108:20 Unique 2.21, 2.60 A)
&rst
ixpk= 1108, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 406, 407,
&end
#
# 53 LEU MDX 23 ILE HG1+ 6.00 (# 1111:20 Unique 2.52, 5.70 A)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 406, 407,
&end
#
# 24 ARG HN 23 ILE QD1 8.00 (# 1112:20 Unique 4.21, 5.35 A)
&rst
ixpk= 1112, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 409, 410, 411,
&end
#
# 0 AMB 20-2:1113 23 ILE QD1 6.00 (# 1113:20 Single Ambig)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2097, 396,
igr2= 409, 410, 411,
&end
#
# 26 GLN HN 23 ILE QD1 6.00 (# 1114:20 Unique 5.06, 6.87 A)
&rst
ixpk= 1114, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 409, 410, 411,
&end
#
# 25 GLU HN 23 ILE QD1 8.00 (# 1115:20 Unique 5.42, 6.99 A)
&rst
ixpk= 1115, nxpk= 20, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 409, 410, 411,
&end
#
# 0 AMB 20-2:1117 23 ILE QD1 4.50 (# 1117:20 Single Ambig)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 466, 467,2133,
igr2= 409, 410, 411,
&end
#
# 27 HIS HD2 23 ILE QD1 4.50 (# 1118:20 Unique 2.26, 3.94 A)
&rst
ixpk= 1118, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 409, 410, 411,
&end
#
# 23 ILE HA 23 ILE QD1 3.50 (# 1120:20 Unique 2.15, 3.95 A)
&rst
ixpk= 1120, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 409, 410, 411,
&end
#
# 0 AMB 20-2:1121 23 ILE QD1 6.00 (# 1121:20 Single Ambig)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 339, 329, 330, 329, 330,
igr2= 409, 410, 411,
&end
#
# 26 GLN HG- 23 ILE QD1 6.00 (# 1123:20 Unique 3.29, 5.63 A)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 461, 462,
igr2= 409, 410, 411,
&end
#
# 0 AMB 20-2:1124 23 ILE QD1 6.00 (# 1124:20 Single Ambig)
&rst
ixpk= 1124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 458, 459, 419, 420,
igr2= 409, 410, 411,
&end
#
# 0 AMB 20-2:1125 23 ILE QD1 3.50 (# 1125:20 Single Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 400, 565, 566,
igr2= 409, 410, 411,
&end
#
# 23 ILE HG1+ 23 ILE QD1 2.80 (# 1126:20 Unique 2.44, 2.64 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 406, 407,
igr2= 409, 410, 411,
&end
#
# 53 LEU MDX 23 ILE QD1 4.50 (# 1127:20 Unique 2.34, 4.94 A)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 409, 410, 411,
&end
#
# 24 ARG HN 23 ILE QG2 4.50 (# 1128:20 Unique 2.04, 2.78 A)
&rst
ixpk= 1128, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 402, 403, 404,
&end
#
# 23 ILE HN 23 ILE QG2 4.50 (# 1129:20 Unique 2.39, 3.39 A)
&rst
ixpk= 1129, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 402, 403, 404,
&end
#
# 0 AMB 20-2:1130 23 ILE QG2 6.00 (# 1130:20 Single Ambig)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 353, 377,
igr2= 402, 403, 404,
&end
#
# 25 GLU HN 23 ILE QG2 6.00 (# 1131:20 Unique 4.42, 5.09 A)
&rst
ixpk= 1131, nxpk= 20, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 402, 403, 404,
&end
#
# 129 TYR HH 23 ILE QG2 6.00 (# 1132:20 Unique 2.36, 4.44 A)
&rst
ixpk= 1132, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 402, 403, 404,
&end
#
# 0 AMB 20-2:1133 23 ILE QG2 6.00 (# 1133:20 Single Ambig)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 398, 379, 541,
igr2= 402, 403, 404,
&end
#
# 32 PRO HD+ 23 ILE QG2 8.00 (# 1134:20 Unique 4.04, 6.04 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 559, 560,
igr2= 402, 403, 404,
&end
#
# 20 VAL HA 23 ILE QG2 3.50 (# 1135:20 Unique 1.77, 2.36 A)
&rst
ixpk= 1135, nxpk= 20, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 402, 403, 404,
&end
#
# 24 ARG HD- 23 ILE QG2 8.00 (# 1136:20 Unique 3.36, 5.10 A)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 425, 426,
igr2= 402, 403, 404,
&end
#
# 23 ILE QD1 23 ILE QG2 3.50 (# 1137:20 Unique 1.95, 3.66 A)
&rst
ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 409, 410, 411,
igr2= 402, 403, 404,
&end
#
# 53 LEU MDY 23 ILE QG2 3.50 (# 1138:20 Unique 2.77, 5.49 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 402, 403, 404,
&end
#
# 23 ILE HN 24 ARG HA 6.00 (# 1139:20 Unique 5.03, 5.22 A)
&rst
ixpk= 1139, nxpk= 20, iat= 396, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 HIS HN 24 ARG HA 6.00 (# 1140:20 Unique 2.91, 3.49 A)
&rst
ixpk= 1140, nxpk= 20, iat= 471, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 GLU HN 24 ARG HA 6.00 (# 1141:20 Unique 3.41, 3.48 A)
&rst
ixpk= 1141, nxpk= 20, iat= 439, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ARG HD+ 24 ARG HA 4.50 (# 1142:20 Unique 1.95, 3.04 A)
&rst
ixpk= 1142, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 426,
&end
#
# 24 ARG HD- 24 ARG HA 6.00 (# 1143:20 Unique 1.95, 3.04 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 425, 426,
&end
#
# 27 HIS HB+ 24 ARG HA 8.00 (# 1144:20 Unique 3.08, 4.66 A)
&rst
ixpk= 1144, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 475, 476,
&end
#
# 24 ARG HB+ 24 ARG HA 3.50 (# 1145:20 Unique 2.55, 2.79 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 419, 420,
&end
#
# 23 ILE QG2 24 ARG HA 6.00 (# 1146:20 Unique 2.94, 3.94 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 402, 403, 404,
&end
#
# 24 ARG HN 24 ARG HB+ 6.00 (# 1147:20 Unique 2.19, 2.88 A)
&rst
ixpk= 1147, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 419, 420,
&end
#
# 24 ARG HN 24 ARG HB- 6.00 (# 1148:20 Unique 2.19, 2.88 A)
&rst
ixpk= 1148, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 419, 420,
&end
#
# 25 GLU HN 24 ARG HB+ 6.00 (# 1149:20 Unique 2.60, 3.31 A)
&rst
ixpk= 1149, nxpk= 20, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 419, 420,
&end
#
# 28 PRO HA 24 ARG HB- 8.00 (# 1150:20 Unique 3.57, 4.82 A)
&rst
ixpk= 1150, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 419, 420,
&end
#
# 0 AMB 20-2:1151 0 AMB 20-1:1151 4.50 (# 1151:20 Double Ambig)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 417, 255, 441,
igr2= 419, 420, 242, 243, 419, 420,
&end
#
# 24 ARG HD+ 24 ARG HB- 6.00 (# 1152:20 Unique 1.99, 3.46 A)
&rst
ixpk= 1152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 425, 426,
igr2= 419, 420,
&end
#
# 24 ARG HD+ 24 ARG HB+ 8.00 (# 1153:20 Unique 1.99, 3.46 A)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 425, 426,
igr2= 419, 420,
&end
#
# 24 ARG HD- 24 ARG HB+ 6.00 (# 1154:20 Unique 1.99, 3.46 A)
&rst
ixpk= 1154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 425, 426,
igr2= 419, 420,
&end
#
# 24 ARG HD- 24 ARG HB- 6.00 (# 1155:20 Unique 1.99, 3.46 A)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 425, 426,
igr2= 419, 420,
&end
#
# 24 ARG HG- 24 ARG HB+ 4.50 (# 1158:20 Unique 2.22, 2.61 A)
&rst
ixpk= 1158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 422, 423,
igr2= 419, 420,
&end
#
# 66 ILE QG2 66 ILE HG1- 4.50 (# 1161:20 Unique 2.31, 3.58 A)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1145,1146,1147,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:1162 0 AMB 20-1:1162 2.80 (# 1162:20 Double Ambig)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1152,1153,1154, 343, 344, 345, 347, 348, 349,
igr2=1149,1150, 419, 420,
&end
#
# 24 ARG HN 24 ARG HG+ 6.00 (# 1163:20 Unique 2.74, 3.31 A)
&rst
ixpk= 1163, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 422, 423,
&end
#
# 24 ARG HA 24 ARG HG+ 6.00 (# 1165:20 Unique 2.27, 3.09 A)
&rst
ixpk= 1165, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 422, 423,
&end
#
# 0 AMB 20-2:1166 0 AMB 20-1:1166 6.00 (# 1166:20 Double Ambig)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 425, 426, 559, 560,
igr2= 422, 423, 422, 423,
&end
#
# 24 ARG HD- 24 ARG HG+ 6.00 (# 1167:20 Unique 2.22, 2.61 A)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 425, 426,
igr2= 422, 423,
&end
#
# 23 ILE QG2 24 ARG HG+ 6.00 (# 1169:20 Unique 2.18, 3.68 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 402, 403, 404,
igr2= 422, 423,
&end
#
# 20 VAL MGY 24 ARG HG+ 6.00 (# 1170:20 Unique 2.11, 4.41 A)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 422, 423,
&end
#
# 0 AMB 20-2:1174 0 AMB 20-1:1174 2.80 (# 1174:20 Double Ambig)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 439,1642,
igr2= 443, 444, 443, 444,1646,1647,1646,1647,
&end
#
# 97 GLU HA 0 AMB 20-1:1175 2.80 (# 1175:20 Single Ambig)
&rst
ixpk= 1175, nxpk= 20, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1698,1699,1698,1699,1646,1647,
&end
#
# 0 AMB 20-2:1176 0 AMB 20-1:1176 2.80 (# 1176:20 Double Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 441,1635,1636,1635,1636,
igr2= 443, 444, 443, 444,1646,1647,1646,1647,
&end
#
# 100 GLU HA 0 AMB 20-1:1177 2.80 (# 1177:20 Single Ambig)
&rst
ixpk= 1177, nxpk= 20, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1698,1699,1698,1699,
&end
#
# 93 THR MG2 97 GLU HB+ 2.80 (# 1179:20 Unique 2.31, 4.23 A)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1590,1591,1592,
igr2=1646,1647,
&end
#
# 98 VAL MGY 0 AMB 20-1:1180 4.50 (# 1180:20 Single Ambig)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1663,1664,1665,1667,1668,1669,
igr2=1646,1647,1646,1647,
&end
#
# 0 AMB 20-2:1183 0 AMB 20-1:1183 8.00 (# 1183:20 Double Ambig)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1= 471,1098,1158,
igr2= 446, 447,1071,1072,1071,1072,
&end
#
# 0 AMB 20-2:1184 0 AMB 20-1:1184 6.00 (# 1184:20 Double Ambig)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 439,1117,1006,
igr2= 446, 447,1071,1072,1071,1072,
&end
#
# 97 GLU HN 97 GLU HG+ 4.50 (# 1185:20 Unique 4.40, 4.47 A)
&rst
ixpk= 1185, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1649,1650,
&end
#
# 97 GLU HA 97 GLU HG+ 4.50 (# 1186:20 Unique 2.43, 3.12 A)
&rst
ixpk= 1186, nxpk= 20, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1649,1650,
&end
#
# 94 PRO HD+ 97 GLU HG+ 6.00 (# 1187:20 Unique 4.51, 7.01 A)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1599,1600,
igr2=1649,1650,
&end
#
# 0 AMB 20-2:1189 0 AMB 20-1:1189 6.00 (# 1189:20 Double Ambig)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1659,1599,1600,1588,
igr2=1649,1650,1649,1650,1649,1650,
&end
#
# 0 AMB 20-2:1190 0 AMB 20-1:1190 2.80 (# 1190:20 Double Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1646,1647,1646,1647,1698,1699,
igr2=1649,1650,1649,1650,1649,1650,
&end
#
# 93 THR MG2 97 GLU HG+ 6.00 (# 1192:20 Unique 2.92, 5.20 A)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1590,1591,1592,
igr2=1649,1650,
&end
#
# 0 AMB 20-2:1194 0 AMB 20-1:1194 6.00 (# 1194:20 Double Ambig)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187,
igr2=1071,1072,1071,1072,
&end
#
# 0 AMB 20-2:1195 0 AMB 20-1:1195 3.50 (# 1195:20 Double Ambig)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 471,1098,
igr2= 456,1081,
&end
#
# 66 ILE HN 63 LEU HA 6.00 (# 1196:20 Unique 3.53, 3.80 A)
&rst
ixpk= 1196, nxpk= 20, iat=1139,1081, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1197 0 AMB 20-1:1197 6.00 (# 1197:20 Double Ambig)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1117, 439,
igr2=1081, 456,
&end
#
# 27 HIS HD2 26 GLN HA 8.00 (# 1198:20 Unique 5.28, 6.72 A)
&rst
ixpk= 1198, nxpk= 20, iat= 485, 456, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 28 PRO HD- 26 GLN HA 6.00 (# 1201:20 Unique 3.54, 4.29 A)
&rst
ixpk= 1201, nxpk= 20, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 490, 491,
&end
#
# 0 AMB 20-2:1202 0 AMB 20-1:1202 4.50 (# 1202:20 Double Ambig)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1071,1072, 461, 462, 446, 447,
igr2=1081, 456,
&end
#
# 62 GLU HG- 63 LEU HA 6.00 (# 1203:20 Unique 3.32, 4.37 A)
&rst
ixpk= 1203, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1071,1072,
&end
#
# 26 GLN HB- 26 GLN HA 2.80 (# 1204:20 Unique 2.30, 2.43 A)
&rst
ixpk= 1204, nxpk= 20, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 458, 459,
&end
#
# 0 AMB 20-2:1205 63 LEU HA 6.00 (# 1205:20 Single Ambig)
&rst
ixpk= 1205, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1162,2176,2177,1124,1125,
&end
#
# 63 LEU HG 63 LEU HA 6.00 (# 1206:20 Unique 2.39, 3.40 A)
&rst
ixpk= 1206, nxpk= 20, iat=1086,1081, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1207 63 LEU HA 4.50 (# 1207:20 Single Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1083,1084,1168,1169,
&end
#
# 0 AMB 20-2:1208 63 LEU HA 6.00 (# 1208:20 Single Ambig)
&rst
ixpk= 1208, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1149,1150,2181,2182,2183,2185,2186,2187,
&end
#
# 0 AMB 20-2:1209 63 LEU HA 2.80 (# 1209:20 Single Ambig)
&rst
ixpk= 1209, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1145,1146,1147,1012,1013,1014,1016,1017,1018,
&end
#
# 0 AMB 20-2:1210 63 LEU HA 2.80 (# 1210:20 Single Ambig)
&rst
ixpk= 1210, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1088,1089,1090,1092,1093,1094,1152,1153,1154,1012,
1013,1014,1016,1017,1018,
&end
#
# 67 ILE QG2 63 LEU HA 8.00 (# 1211:20 Unique 4.65, 6.32 A)
&rst
ixpk= 1211, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1164,1165,1166,
&end
#
# 77 GLN HE2+ 77 GLN HB- 4.50 (# 1212:20 Unique 2.03, 3.94 A)
&rst
ixpk= 1212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1354,1355,
igr2=1346,1347,
&end
#
# 27 HIS HN 26 GLN HB- 6.00 (# 1213:20 Unique 3.17, 3.96 A)
&rst
ixpk= 1213, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 458, 459,
&end
#
# 0 AMB 20-2:1214 0 AMB 20-1:1214 6.00 (# 1214:20 Double Ambig)
&rst
ixpk= 1214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 366, 337,
igr2= 357, 358, 357, 358,
&end
#
# 26 GLN HN 26 GLN HB+ 3.50 (# 1215:20 Unique 2.40, 3.13 A)
&rst
ixpk= 1215, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 458, 459,
&end
#
# 27 HIS HD2 26 GLN HB- 6.00 (# 1216:20 Unique 3.58, 5.74 A)
&rst
ixpk= 1216, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 458, 459,
&end
#
# 26 GLN HA 26 GLN HB+ 3.50 (# 1217:20 Unique 2.30, 2.43 A)
&rst
ixpk= 1217, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 458, 459,
&end
#
# 26 GLN HA 26 GLN HB- 3.50 (# 1218:20 Unique 2.30, 2.43 A)
&rst
ixpk= 1218, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 458, 459,
&end
#
# 23 ILE QD1 26 GLN HB- 6.00 (# 1220:20 Unique 5.41, 7.81 A)
&rst
ixpk= 1220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 409, 410, 411,
igr2= 458, 459,
&end
#
# 27 HIS HN 26 GLN HG- 8.00 (# 1221:20 Unique 1.85, 2.71 A)
&rst
ixpk= 1221, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 461, 462,
&end
#
# 26 GLN HE2- 26 GLN HG- 6.00 (# 1222:20 Unique 2.16, 3.22 A)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 466, 467,
igr2= 461, 462,
&end
#
# 27 HIS HD2 26 GLN HG- 8.00 (# 1223:20 Unique 1.91, 3.81 A)
&rst
ixpk= 1223, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 461, 462,
&end
#
# 26 GLN HB+ 26 GLN HG- 2.80 (# 1224:20 Unique 2.20, 2.71 A)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 458, 459,
igr2= 461, 462,
&end
#
# 26 GLN HB- 26 GLN HG- 3.50 (# 1225:20 Unique 2.20, 2.71 A)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 458, 459,
igr2= 461, 462,
&end
#
# 27 HIS HN 27 HIS HB+ 6.00 (# 1227:20 Unique 2.63, 3.30 A)
&rst
ixpk= 1227, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 475, 476,
&end
#
# 27 HIS HN 27 HIS HB- 6.00 (# 1228:20 Unique 2.63, 3.30 A)
&rst
ixpk= 1228, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 475, 476,
&end
#
# 27 HIS HD2 27 HIS HB+ 8.00 (# 1229:20 Unique 2.70, 3.12 A)
&rst
ixpk= 1229, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 475, 476,
&end
#
# 27 HIS HD2 27 HIS HB- 8.00 (# 1230:20 Unique 2.70, 3.12 A)
&rst
ixpk= 1230, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 475, 476,
&end
#
# 27 HIS HA 27 HIS HB+ 6.00 (# 1231:20 Unique 2.33, 2.68 A)
&rst
ixpk= 1231, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 475, 476,
&end
#
# 27 HIS HA 27 HIS HB- 6.00 (# 1232:20 Unique 2.33, 2.68 A)
&rst
ixpk= 1232, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 475, 476,
&end
#
# 28 PRO HD+ 27 HIS HB- 8.00 (# 1233:20 Unique 3.60, 4.71 A)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 490, 491,
igr2= 475, 476,
&end
#
# 30 LYS HB+ 27 HIS HB- 6.00 (# 1238:20 Unique 2.63, 4.08 A)
&rst
ixpk= 1238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 521, 522,
igr2= 475, 476,
&end
#
# 29 THR MG2 27 HIS HB+ 6.00 (# 1239:20 Unique 4.61, 7.16 A)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 509, 510, 511,
igr2= 475, 476,
&end
#
# 30 LYS HB- 27 HIS HB- 6.00 (# 1240:20 Unique 2.63, 4.08 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 521, 522,
igr2= 475, 476,
&end
#
# 23 ILE QG2 27 HIS HB+ 8.00 (# 1241:20 Unique 4.00, 6.21 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 402, 403, 404,
igr2= 475, 476,
&end
#
# 23 ILE QG2 27 HIS HB- 8.00 (# 1242:20 Unique 4.00, 6.21 A)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 402, 403, 404,
igr2= 475, 476,
&end
#
# 53 LEU MDY 27 HIS HB+ 8.00 (# 1243:20 Unique 5.48, 7.76 A)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 475, 476,
&end
#
# 53 LEU MDY 27 HIS HB- 8.00 (# 1244:20 Unique 5.48, 7.76 A)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 475, 476,
&end
#
# 28 PRO HB+ 28 PRO HA 6.00 (# 1245:20 Unique 2.31, 2.52 A)
&rst
ixpk= 1245, nxpk= 20, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 496, 497,
&end
#
# 28 PRO HB- 28 PRO HA 6.00 (# 1246:20 Unique 2.31, 2.52 A)
&rst
ixpk= 1246, nxpk= 20, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 496, 497,
&end
#
# 0 AMB 20-2:1247 58 VAL HB 6.00 (# 1247:20 Single Ambig)
&rst
ixpk= 1247, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1022, 946,
&end
#
# 0 AMB 20-2:1248 0 AMB 20-1:1248 6.00 (# 1248:20 Double Ambig)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 180, 139,
igr2= 8, 9, 8, 9,
&end
#
# 59 ASN HA 94 PRO HB+ 6.00 (# 1249:20 Unique 3.99, 4.67 A)
&rst
ixpk= 1249, nxpk= 20, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1605,1606,
&end
#
# 28 PRO HA 28 PRO HB- 3.50 (# 1250:20 Unique 2.31, 2.52 A)
&rst
ixpk= 1250, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 496, 497,
&end
#
# 0 AMB 20-2:1251 0 AMB 20-1:1251 4.50 (# 1251:20 Double Ambig)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1=1635,1636,1635,1636, 789, 790, 441,
igr2=1605,1606,1605,1606, 795, 796, 496, 497,
&end
#
# 0 AMB 20-2:1252 0 AMB 20-1:1252 4.50 (# 1252:20 Double Ambig)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 804,1066,
igr2= 795, 796,1010,
&end
#
# 28 PRO HD+ 28 PRO HB+ 6.00 (# 1253:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 490, 491,
igr2= 496, 497,
&end
#
# 28 PRO HD+ 28 PRO HB- 6.00 (# 1254:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 490, 491,
igr2= 496, 497,
&end
#
# 28 PRO HD- 28 PRO HB+ 6.00 (# 1255:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 490, 491,
igr2= 496, 497,
&end
#
# 28 PRO HD- 28 PRO HB- 6.00 (# 1256:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 490, 491,
igr2= 496, 497,
&end
#
# 0 AMB 20-2:1259 0 AMB 20-1:1259 2.80 (# 1259:20 Double Ambig)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 493, 494, 493, 494,
igr2= 496, 497, 496, 497,
&end
#
# 24 ARG HG- 28 PRO HB+ 6.00 (# 1260:20 Unique 6.93, 7.82 A)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 422, 423,
igr2= 496, 497,
&end
#
# 95 ILE HG1- 94 PRO HB+ 8.00 (# 1261:20 Unique 6.25, 7.24 A)
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1622,1623,
igr2=1605,1606,
&end
#
# 29 THR MG2 28 PRO HB+ 6.00 (# 1262:20 Unique 3.87, 5.65 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 509, 510, 511,
igr2= 496, 497,
&end
#
# 30 LYS HG+ 58 VAL HB 8.00 (# 1263:20 Unique 6.81, 7.95 A)
&rst
ixpk= 1263, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 524, 525,
&end
#
# 46 VAL MGX 45 PRO HB+ 6.00 (# 1265:20 Unique 3.86, 6.50 A)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 808, 809, 810, 812, 813, 814,
igr2= 795, 796,
&end
#
# 54 VAL MGX 58 VAL HB 2.80 (# 1266:20 Unique 1.81, 3.01 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 29 THR HN 0 AMB 20-1:1267 6.00 (# 1267:20 Single Ambig)
&rst
ixpk= 1267, nxpk= 20, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 493, 494, 493, 494,
&end
#
# 27 HIS HA 0 AMB 20-1:1268 6.00 (# 1268:20 Single Ambig)
&rst
ixpk= 1268, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 493, 494, 493, 494,
&end
#
# 28 PRO HA 0 AMB 20-1:1269 6.00 (# 1269:20 Single Ambig)
&rst
ixpk= 1269, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 493, 494, 493, 494,
&end
#
# 0 AMB 20-2:1270 0 AMB 20-1:1270 4.50 (# 1270:20 Double Ambig)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 490, 491, 490, 491,
igr2= 493, 494, 493, 494,
&end
#
# 28 PRO HD- 0 AMB 20-1:1271 6.00 (# 1271:20 Single Ambig)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 490, 491,
igr2= 493, 494, 493, 494,
&end
#
# 0 AMB 20-2:1272 0 AMB 20-1:1272 4.50 (# 1272:20 Double Ambig)
&rst
ixpk= 1272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 496, 497, 496, 497,
igr2= 493, 494, 493, 494,
&end
#
# 28 PRO HB- 0 AMB 20-1:1273 2.80 (# 1273:20 Single Ambig)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 496, 497,
igr2= 493, 494, 493, 494,
&end
#
# 29 THR MG2 0 AMB 20-1:1274 6.00 (# 1274:20 Single Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 509, 510, 511,
igr2= 493, 494, 493, 494,
&end
#
# 27 HIS HN 28 PRO HD+ 6.00 (# 1275:20 Unique 2.76, 3.67 A)
&rst
ixpk= 1275, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 490, 491,
&end
#
# 27 HIS HN 28 PRO HD- 6.00 (# 1276:20 Unique 2.76, 3.67 A)
&rst
ixpk= 1276, nxpk= 20, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 490, 491,
&end
#
# 29 THR HN 28 PRO HD+ 8.00 (# 1277:20 Unique 2.66, 3.35 A)
&rst
ixpk= 1277, nxpk= 20, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 490, 491,
&end
#
# 28 PRO HA 28 PRO HD+ 6.00 (# 1278:20 Unique 3.58, 3.83 A)
&rst
ixpk= 1278, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 490, 491,
&end
#
# 28 PRO HA 28 PRO HD- 6.00 (# 1279:20 Unique 3.58, 3.83 A)
&rst
ixpk= 1279, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 490, 491,
&end
#
# 24 ARG HA 28 PRO HD- 6.00 (# 1280:20 Unique 4.89, 5.58 A)
&rst
ixpk= 1280, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 490, 491,
&end
#
# 24 ARG HD- 28 PRO HD+ 6.00 (# 1281:20 Unique 6.03, 7.56 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 425, 426,
igr2= 490, 491,
&end
#
# 24 ARG HD- 28 PRO HD- 6.00 (# 1284:20 Unique 6.03, 7.56 A)
&rst
ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 425, 426,
igr2= 490, 491,
&end
#
# 28 PRO HB+ 28 PRO HD+ 6.00 (# 1286:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 496, 497,
igr2= 490, 491,
&end
#
# 26 GLN HB- 28 PRO HD- 8.00 (# 1289:20 Unique 5.27, 5.98 A)
&rst
ixpk= 1289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 458, 459,
igr2= 490, 491,
&end
#
# 29 THR MG2 28 PRO HD+ 6.00 (# 1290:20 Unique 3.38, 5.64 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 509, 510, 511,
igr2= 490, 491,
&end
#
# 31 ILE HN 30 LYS HB- 6.00 (# 1294:20 Unique 2.18, 3.40 A)
&rst
ixpk= 1294, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 521, 522,
&end
#
# 54 VAL HN 30 LYS HB- 8.00 (# 1295:20 Unique 3.97, 5.41 A)
&rst
ixpk= 1295, nxpk= 20, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 521, 522,
&end
#
# 30 LYS HN 30 LYS HB- 6.00 (# 1296:20 Unique 2.45, 3.06 A)
&rst
ixpk= 1296, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 521, 522,
&end
#
# 31 ILE HG1- 30 LYS HB- 4.50 (# 1298:20 Unique 4.70, 6.04 A)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 549, 550,
igr2= 521, 522,
&end
#
# 0 AMB 20-2:1299 30 LYS HB- 6.00 (# 1299:20 Single Ambig)
&rst
ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 931, 932, 402, 403, 404,
igr2= 521, 522,
&end
#
# 53 LEU MDY 30 LYS HB- 6.00 (# 1300:20 Unique 1.91, 5.47 A)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 521, 522,
&end
#
# 0 AMB 20-2:1301 0 AMB 20-1:1301 8.00 (# 1301:20 Double Ambig)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 517, 988,
igr2= 524, 525, 524, 525,
&end
#
# 0 AMB 20-2:1302 30 LYS HG- 8.00 (# 1302:20 Single Ambig)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 517, 988,
igr2= 524, 525,
&end
#
# 0 AMB 20-2:1303 0 AMB 20-1:1303 6.00 (# 1303:20 Double Ambig)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 948, 6,
igr2= 524, 525, 68, 69,
&end
#
# 30 LYS HA 30 LYS HG- 6.00 (# 1304:20 Unique 2.08, 2.79 A)
&rst
ixpk= 1304, nxpk= 20, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 55 PRO HA 30 LYS HG+ 6.00 (# 1305:20 Unique 1.97, 3.22 A)
&rst
ixpk= 1305, nxpk= 20, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 55 PRO HA 30 LYS HG- 6.00 (# 1306:20 Unique 1.97, 3.22 A)
&rst
ixpk= 1306, nxpk= 20, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 524, 525,
&end
#
# 0 AMB 20-2:1307 30 LYS HG- 4.50 (# 1307:20 Single Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 530, 531, 530, 531,
igr2= 524, 525,
&end
#
# 0 AMB 20-2:1308 0 AMB 20-1:1308 6.00 (# 1308:20 Double Ambig)
&rst
ixpk= 1308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 475, 476, 11, 12,
igr2= 524, 525, 68, 69,
&end
#
# 27 HIS HB- 30 LYS HG- 8.00 (# 1309:20 Unique 3.62, 5.38 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 475, 476,
igr2= 524, 525,
&end
#
# 0 AMB 20-2:1314 0 AMB 20-1:1314 6.00 (# 1314:20 Double Ambig)
&rst
ixpk= 1314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 686, 83,
igr2= 696, 697, 696, 697, 71, 72,
&end
#
# 31 ILE HN 31 ILE HA 6.00 (# 1316:20 Unique 2.93, 2.94 A)
&rst
ixpk= 1316, nxpk= 20, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1317 31 ILE HA 6.00 (# 1317:20 Single Ambig)
&rst
ixpk= 1317, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 543, 565, 566,
&end
#
# 31 ILE HG1+ 31 ILE HA 6.00 (# 1318:20 Unique 2.34, 3.11 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 549, 550,
&end
#
# 95 ILE HN 95 ILE HB 4.50 (# 1319:20 Unique 2.16, 2.37 A)
&rst
ixpk= 1319, nxpk= 20, iat=1612,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 VAL HN 31 ILE HB 6.00 (# 1320:20 Unique 2.75, 3.31 A)
&rst
ixpk= 1320, nxpk= 20, iat= 946, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1322 0 AMB 20-1:1322 6.00 (# 1322:20 Double Ambig)
&rst
ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1024, 929,
igr2=1616, 543,
&end
#
# 95 ILE HA 95 ILE HB 3.50 (# 1323:20 Unique 2.52, 2.58 A)
&rst
ixpk= 1323, nxpk= 20, iat=1614,1616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1324 0 AMB 20-1:1324 6.00 (# 1324:20 Double Ambig)
&rst
ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=1661,1602,1603, 966, 967, 966, 967,
igr2=1616, 543,
&end
#
# 95 ILE HG1- 0 AMB 20-1:1325 3.50 (# 1325:20 Single Ambig)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1622,1623,
igr2=1616, 543,
&end
#
# 31 ILE HN 31 ILE HG1- 6.00 (# 1326:20 Unique 2.59, 3.68 A)
&rst
ixpk= 1326, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 549, 550,
&end
#
# 31 ILE HN 31 ILE HG1+ 6.00 (# 1327:20 Unique 2.59, 3.68 A)
&rst
ixpk= 1327, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 549, 550,
&end
#
# 56 ASP HN 31 ILE HG1- 6.00 (# 1328:20 Unique 2.23, 3.48 A)
&rst
ixpk= 1328, nxpk= 20, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 549, 550,
&end
#
# 56 ASP HN 31 ILE HG1+ 6.00 (# 1329:20 Unique 2.23, 3.48 A)
&rst
ixpk= 1329, nxpk= 20, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 549, 550,
&end
#
# 30 LYS HA 31 ILE HG1- 8.00 (# 1330:20 Unique 3.35, 4.29 A)
&rst
ixpk= 1330, nxpk= 20, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 549, 550,
&end
#
# 31 ILE HA 31 ILE HG1- 8.00 (# 1331:20 Unique 2.34, 3.11 A)
&rst
ixpk= 1331, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 549, 550,
&end
#
# 56 ASP HA 31 ILE HG1- 6.00 (# 1332:20 Unique 2.00, 2.75 A)
&rst
ixpk= 1332, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 549, 550,
&end
#
# 56 ASP HA 31 ILE HG1+ 6.00 (# 1333:20 Unique 2.00, 2.75 A)
&rst
ixpk= 1333, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 549, 550,
&end
#
# 0 AMB 20-2:1334 0 AMB 20-1:1334 6.00 (# 1334:20 Double Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1633,1635,1636,1635,1636,
igr2= 549, 550, 549, 550, 549, 550,
&end
#
# 56 ASP HB+ 31 ILE HG1- 8.00 (# 1335:20 Unique 1.96, 3.53 A)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 980, 981,
igr2= 549, 550,
&end
#
# 56 ASP HB- 31 ILE HG1- 8.00 (# 1336:20 Unique 1.96, 3.53 A)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 980, 981,
igr2= 549, 550,
&end
#
# 31 ILE HB 31 ILE HG1- 4.50 (# 1337:20 Unique 2.33, 2.52 A)
&rst
ixpk= 1337, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 549, 550,
&end
#
# 31 ILE HB 31 ILE HG1+ 4.50 (# 1338:20 Unique 2.33, 2.52 A)
&rst
ixpk= 1338, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 549, 550,
&end
#
# 31 ILE QD1 31 ILE HG1- 2.80 (# 1340:20 Unique 2.44, 2.64 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 552, 553, 554,
igr2= 549, 550,
&end
#
# 0 AMB 20-2:1341 31 ILE QD1 6.00 (# 1341:20 Single Ambig)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1694,1642,
igr2= 552, 553, 554,
&end
#
# 99 TYR HE 31 ILE QD1 6.00 (# 1342:20 Unique 3.33, 5.53 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1683,1688,
igr2= 552, 553, 554,
&end
#
# 56 ASP HA 31 ILE QD1 6.00 (# 1346:20 Unique 1.82, 3.93 A)
&rst
ixpk= 1346, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 552, 553, 554,
&end
#
# 32 PRO HD+ 31 ILE QD1 6.00 (# 1347:20 Unique 2.87, 5.08 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 559, 560,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1348 31 ILE QD1 6.00 (# 1348:20 Single Ambig)
&rst
ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 559, 560, 425, 426,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:1349 31 ILE QD1 3.50 (# 1349:20 Single Ambig)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1618,1619,1620, 549, 550,
igr2= 552, 553, 554,
&end
#
# 99 TYR HN 31 ILE QG2 8.00 (# 1350:20 Unique 3.69, 5.23 A)
&rst
ixpk= 1350, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 545, 546, 547,
&end
#
# 54 VAL HN 31 ILE QG2 8.00 (# 1351:20 Unique 3.85, 5.11 A)
&rst
ixpk= 1351, nxpk= 20, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 545, 546, 547,
&end
#
# 99 TYR HE 31 ILE QG2 6.00 (# 1353:20 Unique 3.23, 5.66 A)
&rst
ixpk= 1353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1683,1688,
igr2= 545, 546, 547,
&end
#
# 32 PRO HA 31 ILE QG2 8.00 (# 1354:20 Unique 4.29, 5.32 A)
&rst
ixpk= 1354, nxpk= 20, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:1355 31 ILE QG2 8.00 (# 1355:20 Single Ambig)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 978,1696,
igr2= 545, 546, 547,
&end
#
# 109 LEU HB+ 31 ILE QG2 6.00 (# 1356:20 Unique 2.55, 4.58 A)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1827,1828,
igr2= 545, 546, 547,
&end
#
# 54 VAL HB 31 ILE QG2 6.00 (# 1357:20 Unique 3.87, 5.05 A)
&rst
ixpk= 1357, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 545, 546, 547,
&end
#
# 32 PRO HG- 31 ILE QG2 6.00 (# 1358:20 Unique 3.90, 5.42 A)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 562, 563,
igr2= 545, 546, 547,
&end
#
# 95 ILE HG1+ 31 ILE QG2 6.00 (# 1359:20 Unique 2.38, 4.90 A)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1622,1623,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:1360 31 ILE QG2 2.80 (# 1360:20 Single Ambig)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,1618,1619,1620,
igr2= 545, 546, 547,
&end
#
# 95 ILE QD1 31 ILE QG2 6.00 (# 1361:20 Unique 2.17, 4.69 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1625,1626,1627,
igr2= 545, 546, 547,
&end
#
# 33 VAL HN 32 PRO HA 2.80 (# 1362:20 Unique 2.16, 2.18 A)
&rst
ixpk= 1362, nxpk= 20, iat= 572, 568, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1363 32 PRO HA 6.00 (# 1363:20 Single Ambig)
&rst
ixpk= 1363, nxpk= 20, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 576, 950,
&end
#
# 32 PRO HB- 32 PRO HA 4.50 (# 1364:20 Unique 2.31, 2.52 A)
&rst
ixpk= 1364, nxpk= 20, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 565, 566,
&end
#
# 0 AMB 20-2:1365 32 PRO HA 4.50 (# 1365:20 Single Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 931, 932, 578, 579, 580, 582, 583, 584, 578, 579,
580, 582, 583, 584,
&end
#
# 53 LEU MDY 32 PRO HA 4.50 (# 1366:20 Unique 1.57, 3.68 A)
&rst
ixpk= 1366, nxpk= 20, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 936, 937, 938, 940, 941, 942,
&end
#
# 32 PRO HB+ 32 PRO HA 6.00 (# 1367:20 Unique 2.31, 2.52 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 565, 566,
&end
#
# 0 AMB 20-2:1368 32 PRO HA 6.00 (# 1368:20 Single Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 562, 563, 527, 528, 527, 528, 422, 423,
&end
#
# 33 VAL HN 32 PRO HB+ 8.00 (# 1369:20 Unique 3.35, 3.85 A)
&rst
ixpk= 1369, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 565, 566,
&end
#
# 33 VAL HN 32 PRO HB- 8.00 (# 1370:20 Unique 3.35, 3.85 A)
&rst
ixpk= 1370, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 565, 566,
&end
#
# 0 AMB 20-2:1371 16 ARG HB- 6.00 (# 1371:20 Single Ambig)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 226, 234, 180,
igr2= 274, 275,
&end
#
# 108 PHE HD 0 AMB 20-1:1373 6.00 (# 1373:20 Single Ambig)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1811,1819,
igr2= 565, 566, 274, 275,
&end
#
# 129 TYR HH 32 PRO HB+ 6.00 (# 1374:20 Unique 4.45, 5.89 A)
&rst
ixpk= 1374, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 565, 566,
&end
#
# 129 TYR HH 0 AMB 20-1:1375 6.00 (# 1375:20 Single Ambig)
&rst
ixpk= 1375, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 565, 566, 341,
&end
#
# 32 PRO HA 32 PRO HB+ 6.00 (# 1376:20 Unique 2.31, 2.52 A)
&rst
ixpk= 1376, nxpk= 20, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 565, 566,
&end
#
# 0 AMB 20-2:1377 0 AMB 20-1:1377 8.00 (# 1377:20 Double Ambig)
&rst
ixpk= 1377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1807,1808, 559, 560,
igr2= 565, 566, 565, 566,
&end
#
# 0 AMB 20-2:1379 32 PRO HB- 8.00 (# 1379:20 Single Ambig)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1807,1808, 559, 560,
igr2= 565, 566,
&end
#
# 0 AMB 20-2:1380 0 AMB 20-1:1380 6.00 (# 1380:20 Double Ambig)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1= 280, 281, 559, 560, 425, 426, 280, 281,
igr2= 274, 275, 565, 566, 341,
&end
#
# 32 PRO HG+ 32 PRO HB+ 6.00 (# 1381:20 Unique 2.31, 2.56 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 562, 563,
igr2= 565, 566,
&end
#
# 32 PRO HG+ 32 PRO HB- 6.00 (# 1382:20 Unique 2.31, 2.56 A)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 562, 563,
igr2= 565, 566,
&end
#
# 0 AMB 20-2:1387 0 AMB 20-1:1387 4.50 (# 1387:20 Double Ambig)
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 184, 185, 402, 403, 404,
igr2= 274, 275, 565, 566,
&end
#
# 0 AMB 20-2:1388 0 AMB 20-1:1388 4.50 (# 1388:20 Double Ambig)
&rst
ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 184, 185, 402, 403, 404,
igr2= 274, 275, 565, 566,
&end
#
# 53 LEU MDY 32 PRO HB+ 6.00 (# 1389:20 Unique 1.98, 4.90 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 565, 566,
&end
#
# 53 LEU MDY 32 PRO HB- 6.00 (# 1390:20 Unique 1.98, 4.90 A)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 565, 566,
&end
#
# 0 AMB 20-2:1391 0 AMB 20-1:1391 6.00 (# 1391:20 Double Ambig)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 343, 344, 345, 347, 348, 349, 936, 937, 938, 940,
941, 942,
igr2= 565, 566, 565, 566,
&end
#
# 0 AMB 20-2:1395 0 AMB 20-1:1395 6.00 (# 1395:20 Double Ambig)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1813,1817, 283,
igr2= 277, 278, 277, 278, 277, 278, 422, 423,
&end
#
# 0 AMB 20-2:1396 0 AMB 20-1:1396 8.00 (# 1396:20 Double Ambig)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 568, 574,
igr2= 562, 563, 562, 563,
&end
#
# 108 PHE HA 32 PRO HG+ 6.00 (# 1397:20 Unique 2.02, 3.66 A)
&rst
ixpk= 1397, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 562, 563,
&end
#
# 31 ILE HA 32 PRO HG+ 6.00 (# 1398:20 Unique 4.11, 4.23 A)
&rst
ixpk= 1398, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 562, 563,
&end
#
# 12 THR HB 0 AMB 20-1:1399 6.00 (# 1399:20 Single Ambig)
&rst
ixpk= 1399, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 277, 278, 277, 278,
&end
#
# 0 AMB 20-2:1400 0 AMB 20-1:1400 8.00 (# 1400:20 Double Ambig)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1805, 182,
igr2= 562, 563, 277, 278,
&end
#
# 0 AMB 20-2:1401 0 AMB 20-1:1401 6.00 (# 1401:20 Double Ambig)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1807,1808, 559, 560,
igr2= 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1402 0 AMB 20-1:1402 6.00 (# 1402:20 Double Ambig)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 425, 426, 559, 560,
igr2= 562, 563, 562, 563,
&end
#
# 24 ARG HD- 32 PRO HG+ 8.00 (# 1403:20 Unique 1.99, 4.33 A)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 425, 426,
igr2= 562, 563,
&end
#
# 0 AMB 20-2:1405 0 AMB 20-1:1405 6.00 (# 1405:20 Double Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 565, 566,1827,1828,
igr2= 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1406 0 AMB 20-1:1406 6.00 (# 1406:20 Double Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 422, 423, 341,
igr2= 562, 563, 562, 563,
&end
#
# 0 AMB 20-2:1409 0 AMB 20-1:1409 8.00 (# 1409:20 Double Ambig)
&rst
ixpk= 1409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=18.14, r4=18.64,
igr1= 402, 403, 404, 578, 579, 580, 582, 583, 584, 578,
579, 580, 582, 583, 584, 931, 932,
igr2= 562, 563, 562, 563, 562, 563, 562, 563,
&end
#
# 20 VAL MGY 32 PRO HG+ 6.00 (# 1410:20 Unique 1.60, 4.04 A)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 562, 563,
&end
#
# 20 VAL MGX 32 PRO HG+ 6.00 (# 1411:20 Unique 1.60, 4.04 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 562, 563,
&end
#
# 0 AMB 20-2:1412 0 AMB 20-1:1412 3.50 (# 1412:20 Double Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 184, 185, 402, 403, 404,
igr2= 277, 278, 277, 278, 422, 423,
&end
#
# 20 VAL MGX 0 AMB 20-1:1413 6.00 (# 1413:20 Single Ambig)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 562, 563, 422, 423, 277, 278,
&end
#
# 31 ILE HN 32 PRO HD- 8.00 (# 1414:20 Unique 3.91, 4.38 A)
&rst
ixpk= 1414, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 559, 560,
&end
#
# 99 TYR HE 32 PRO HD- 6.00 (# 1415:20 Unique 2.58, 5.42 A)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1683,1688,
igr2= 559, 560,
&end
#
# 24 ARG HD- 32 PRO HD+ 6.00 (# 1416:20 Unique 1.91, 3.30 A)
&rst
ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 425, 426,
igr2= 559, 560,
&end
#
# 24 ARG HD- 32 PRO HD- 6.00 (# 1417:20 Unique 1.91, 3.30 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 425, 426,
igr2= 559, 560,
&end
#
# 32 PRO HG+ 32 PRO HD+ 6.00 (# 1418:20 Unique 2.31, 2.57 A)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 562, 563,
igr2= 559, 560,
&end
#
# 32 PRO HB+ 32 PRO HD- 8.00 (# 1419:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 565, 566,
igr2= 559, 560,
&end
#
# 0 AMB 20-2:1420 0 AMB 20-1:1420 6.00 (# 1420:20 Double Ambig)
&rst
ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 565, 566, 543,
igr2= 559, 560, 559, 560,
&end
#
# 0 AMB 20-2:1421 0 AMB 20-1:1421 6.00 (# 1421:20 Double Ambig)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 562, 563, 422, 423,
igr2= 559, 560, 559, 560,
&end
#
# 0 AMB 20-2:1422 32 PRO HD- 6.00 (# 1422:20 Single Ambig)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 565, 566, 543,
igr2= 559, 560,
&end
#
# 0 AMB 20-2:1423 0 AMB 20-1:1423 8.00 (# 1423:20 Double Ambig)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.94, r4=17.44,
igr1= 402, 403, 404, 578, 579, 580, 582, 583, 584, 578,
579, 580, 582, 583, 584,
igr2= 559, 560, 559, 560, 559, 560,
&end
#
# 0 AMB 20-2:1424 32 PRO HD- 6.00 (# 1424:20 Single Ambig)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30,
igr1= 402, 403, 404, 931, 932, 578, 579, 580, 582, 583,
584, 578, 579, 580, 582, 583, 584,
igr2= 559, 560,
&end
#
# 20 VAL MGY 32 PRO HD- 8.00 (# 1425:20 Unique 3.29, 5.59 A)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 559, 560,
&end
#
# 31 ILE QG2 32 PRO HD+ 6.00 (# 1426:20 Unique 2.39, 4.23 A)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 545, 546, 547,
igr2= 559, 560,
&end
#
# 33 VAL HN 33 VAL HA 6.00 (# 1427:20 Unique 2.94, 2.96 A)
&rst
ixpk= 1427, nxpk= 20, iat= 572, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE HN 33 VAL HA 3.50 (# 1428:20 Unique 2.13, 2.21 A)
&rst
ixpk= 1428, nxpk= 20, iat= 588, 574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LEU HN 33 VAL HA 6.00 (# 1429:20 Unique 1.82, 2.43 A)
&rst
ixpk= 1429, nxpk= 20, iat=1823, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU HB+ 33 VAL HA 6.00 (# 1430:20 Unique 2.00, 2.75 A)
&rst
ixpk= 1430, nxpk= 20, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1827,1828,
&end
#
# 33 VAL HB 33 VAL HA 6.00 (# 1431:20 Unique 2.71, 2.95 A)
&rst
ixpk= 1431, nxpk= 20, iat= 576, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1432 33 VAL HA 2.80 (# 1432:20 Single Ambig)
&rst
ixpk= 1432, nxpk= 20, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
&end
#
# 52 PHE HN 33 VAL HB 8.00 (# 1433:20 Unique 2.96, 3.69 A)
&rst
ixpk= 1433, nxpk= 20, iat= 907, 576, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:1434 33 VAL HB 6.00 (# 1434:20 Single Ambig)
&rst
ixpk= 1434, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 588, 927,
&end
#
# 52 PHE HD 33 VAL HB 6.00 (# 1435:20 Unique 2.11, 3.79 A)
&rst
ixpk= 1435, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 915, 923,
&end
#
# 52 PHE HB- 33 VAL HB 6.00 (# 1436:20 Unique 1.79, 4.55 A)
&rst
ixpk= 1436, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 911, 912,
&end
#
# 0 AMB 20-2:1437 33 VAL HB 2.80 (# 1437:20 Single Ambig)
&rst
ixpk= 1437, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
&end
#
# 35 ILE QD1 33 VAL HB 8.00 (# 1438:20 Unique 6.36, 7.53 A)
&rst
ixpk= 1438, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 620, 621, 622,
&end
#
# 33 VAL HN 33 VAL MGY 4.50 (# 1439:20 Unique 1.97, 4.12 A)
&rst
ixpk= 1439, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 578, 579, 580, 582, 583, 584,
&end
#
# 34 ILE HN 33 VAL MGY 4.50 (# 1440:20 Unique 1.99, 4.13 A)
&rst
ixpk= 1440, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 578, 579, 580, 582, 583, 584,
&end
#
# 0 AMB 20-2:1441 0 AMB 20-1:1441 3.50 (# 1441:20 Double Ambig)
&rst
ixpk= 1441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 574, 568,
igr2= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
&end
#
# 0 AMB 20-2:1442 0 AMB 20-1:1442 4.50 (# 1442:20 Double Ambig)
&rst
ixpk= 1442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1870,1871,1870,1871,1870,1871,
igr2= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
&end
#
# 33 VAL HB 0 AMB 20-1:1443 2.80 (# 1443:20 Single Ambig)
&rst
ixpk= 1443, nxpk= 20, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
&end
#
# 111 MET HN 34 ILE HB 6.00 (# 1446:20 Unique 2.39, 2.99 A)
&rst
ixpk= 1446, nxpk= 20, iat=1863, 592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE HN 34 ILE HB 6.00 (# 1447:20 Unique 2.32, 2.65 A)
&rst
ixpk= 1447, nxpk= 20, iat= 588, 592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 TYR HD 34 ILE HB 6.00 (# 1448:20 Unique 3.11, 4.86 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1850,1859,
&end
#
# 110 TYR HA 34 ILE HB 6.00 (# 1449:20 Unique 1.83, 2.53 A)
&rst
ixpk= 1449, nxpk= 20, iat=1844, 592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE HA 34 ILE HB 8.00 (# 1450:20 Unique 2.98, 2.99 A)
&rst
ixpk= 1450, nxpk= 20, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 34 ILE HG1- 34 ILE HB 6.00 (# 1451:20 Unique 2.38, 2.69 A)
&rst
ixpk= 1451, nxpk= 20, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 598, 599,
&end
#
# 34 ILE HG1+ 34 ILE HB 6.00 (# 1452:20 Unique 2.38, 2.69 A)
&rst
ixpk= 1452, nxpk= 20, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 598, 599,
&end
#
# 34 ILE QD1 34 ILE HB 6.00 (# 1453:20 Unique 2.42, 3.23 A)
&rst
ixpk= 1453, nxpk= 20, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 601, 602, 603,
&end
#
# 34 ILE HN 34 ILE HG1- 6.00 (# 1454:20 Unique 2.09, 3.33 A)
&rst
ixpk= 1454, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 598, 599,
&end
#
# 34 ILE HN 34 ILE HG1+ 8.00 (# 1455:20 Unique 2.09, 3.33 A)
&rst
ixpk= 1455, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 598, 599,
&end
#
# 110 TYR HD 34 ILE HG1- 8.00 (# 1456:20 Unique 3.28, 6.41 A)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1850,1859,
igr2= 598, 599,
&end
#
# 110 TYR HD 34 ILE HG1+ 6.00 (# 1457:20 Unique 3.28, 6.41 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1850,1859,
igr2= 598, 599,
&end
#
# 34 ILE HB 34 ILE HG1- 6.00 (# 1458:20 Unique 2.38, 2.69 A)
&rst
ixpk= 1458, nxpk= 20, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 598, 599,
&end
#
# 34 ILE HB 34 ILE HG1+ 6.00 (# 1459:20 Unique 2.38, 2.69 A)
&rst
ixpk= 1459, nxpk= 20, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 598, 599,
&end
#
# 34 ILE QD1 34 ILE HG1- 6.00 (# 1461:20 Unique 2.44, 2.64 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 601, 602, 603,
igr2= 598, 599,
&end
#
# 34 ILE QD1 34 ILE HG1+ 6.00 (# 1462:20 Unique 2.44, 2.64 A)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 601, 602, 603,
igr2= 598, 599,
&end
#
# 52 PHE HN 34 ILE QD1 6.00 (# 1463:20 Unique 3.31, 6.62 A)
&rst
ixpk= 1463, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 601, 602, 603,
&end
#
# 35 ILE HN 34 ILE QD1 6.00 (# 1464:20 Unique 4.38, 6.07 A)
&rst
ixpk= 1464, nxpk= 20, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 601, 602, 603,
&end
#
# 110 TYR HD 34 ILE QD1 6.00 (# 1465:20 Unique 2.53, 6.04 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1850,1859,
igr2= 601, 602, 603,
&end
#
# 7 PHE HE 34 ILE QD1 6.00 (# 1467:20 Unique 3.59, 7.22 A)
&rst
ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 107, 111,
igr2= 601, 602, 603,
&end
#
# 51 LYS HA 34 ILE QD1 6.00 (# 1468:20 Unique 3.67, 6.18 A)
&rst
ixpk= 1468, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 601, 602, 603,
&end
#
# 51 LYS HE- 34 ILE QD1 8.00 (# 1469:20 Unique 1.51, 5.70 A)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 898, 899,
igr2= 601, 602, 603,
&end
#
# 34 ILE HB 34 ILE QD1 6.00 (# 1470:20 Unique 2.42, 3.23 A)
&rst
ixpk= 1470, nxpk= 20, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 601, 602, 603,
&end
#
# 51 LYS HG+ 34 ILE QD1 6.00 (# 1471:20 Unique 1.84, 5.77 A)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 892, 893,
igr2= 601, 602, 603,
&end
#
# 34 ILE HG1- 34 ILE QD1 6.00 (# 1472:20 Unique 2.44, 2.64 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 598, 599,
igr2= 601, 602, 603,
&end
#
# 0 AMB 20-2:1478 34 ILE QG2 6.00 (# 1478:20 Single Ambig)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1844, 609,
igr2= 594, 595, 596,
&end
#
# 51 LYS HA 34 ILE QG2 6.00 (# 1479:20 Unique 2.95, 4.49 A)
&rst
ixpk= 1479, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 594, 595, 596,
&end
#
# 0 AMB 20-2:1480 34 ILE QG2 6.00 (# 1480:20 Single Ambig)
&rst
ixpk= 1480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 630, 631,1867,1868,
igr2= 594, 595, 596,
&end
#
# 0 AMB 20-2:1481 34 ILE QG2 4.50 (# 1481:20 Single Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 889, 890, 877, 878, 879,
igr2= 594, 595, 596,
&end
#
# 34 ILE HG1- 34 ILE QG2 4.50 (# 1482:20 Unique 2.31, 3.38 A)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 598, 599,
igr2= 594, 595, 596,
&end
#
# 36 GLU HN 35 ILE HA 8.00 (# 1483:20 Unique 2.13, 2.17 A)
&rst
ixpk= 1483, nxpk= 20, iat= 626, 609, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:1484 35 ILE HA 8.00 (# 1484:20 Single Ambig)
&rst
ixpk= 1484, nxpk= 20, iat= -1, 609, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 617, 618, 613, 614, 615,
&end
#
# 35 ILE HN 35 ILE HB 6.00 (# 1485:20 Unique 2.79, 3.14 A)
&rst
ixpk= 1485, nxpk= 20, iat= 607, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE HA 35 ILE HB 8.00 (# 1486:20 Unique 4.60, 4.85 A)
&rst
ixpk= 1486, nxpk= 20, iat= 590, 611, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 35 ILE HA 35 ILE HB 6.00 (# 1487:20 Unique 2.22, 2.36 A)
&rst
ixpk= 1487, nxpk= 20, iat= 609, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 ILE HG1- 35 ILE HB 4.50 (# 1488:20 Unique 2.41, 2.74 A)
&rst
ixpk= 1488, nxpk= 20, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 617, 618,
&end
#
# 0 AMB 20-2:1489 35 ILE HB 2.80 (# 1489:20 Single Ambig)
&rst
ixpk= 1489, nxpk= 20, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 617, 618, 613, 614, 615,
&end
#
# 35 ILE HN 35 ILE HG1- 6.00 (# 1490:20 Unique 3.41, 4.39 A)
&rst
ixpk= 1490, nxpk= 20, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 617, 618,
&end
#
# 52 PHE HD 35 ILE HG1- 6.00 (# 1491:20 Unique 4.17, 6.59 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 915, 923,
igr2= 617, 618,
&end
#
# 35 ILE HA 35 ILE HG1- 8.00 (# 1492:20 Unique 2.37, 2.93 A)
&rst
ixpk= 1492, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 617, 618,
&end
#
# 35 ILE HA 35 ILE HG1+ 6.00 (# 1493:20 Unique 2.37, 2.93 A)
&rst
ixpk= 1493, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 617, 618,
&end
#
# 0 AMB 20-2:1494 0 AMB 20-1:1494 6.00 (# 1494:20 Double Ambig)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1867,1868,1867,1868,
igr2= 617, 618, 617, 618,
&end
#
# 35 ILE HB 35 ILE HG1+ 6.00 (# 1495:20 Unique 2.41, 2.74 A)
&rst
ixpk= 1495, nxpk= 20, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 617, 618,
&end
#
# 81 LEU MDY 35 ILE HG1+ 4.50 (# 1498:20 Unique 2.13, 5.10 A)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1418,1419,1420,1422,1423,1424,
igr2= 617, 618,
&end
#
# 35 ILE HN 35 ILE QD1 6.00 (# 1499:20 Unique 4.72, 5.54 A)
&rst
ixpk= 1499, nxpk= 20, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 620, 621, 622,
&end
#
# 0 AMB 20-2:1500 35 ILE QD1 8.00 (# 1500:20 Single Ambig)
&rst
ixpk= 1500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1177,1158,
igr2= 620, 621, 622,
&end
#
# 52 PHE HD 35 ILE QD1 4.50 (# 1501:20 Unique 3.13, 5.84 A)
&rst
ixpk= 1501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 915, 923,
igr2= 620, 621, 622,
&end
#
# 35 ILE HA 35 ILE QD1 6.00 (# 1503:20 Unique 4.00, 4.62 A)
&rst
ixpk= 1503, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 620, 621, 622,
&end
#
# 34 ILE HA 35 ILE QD1 8.00 (# 1504:20 Unique 6.47, 7.51 A)
&rst
ixpk= 1504, nxpk= 20, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 620, 621, 622,
&end
#
# 0 AMB 20-2:1506 35 ILE QD1 8.00 (# 1506:20 Single Ambig)
&rst
ixpk= 1506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1900,1901,1870,1871,
igr2= 620, 621, 622,
&end
#
# 0 AMB 20-2:1507 35 ILE QD1 6.00 (# 1507:20 Single Ambig)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1867,1868,1867,1868,
igr2= 620, 621, 622,
&end
#
# 0 AMB 20-2:1508 35 ILE QD1 6.00 (# 1508:20 Single Ambig)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 853, 854,1256,
igr2= 620, 621, 622,
&end
#
# 67 ILE HG1- 35 ILE QD1 6.00 (# 1509:20 Unique 1.97, 4.74 A)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1168,1169,
igr2= 620, 621, 622,
&end
#
# 67 ILE HG1+ 35 ILE QD1 6.00 (# 1510:20 Unique 1.97, 4.74 A)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1168,1169,
igr2= 620, 621, 622,
&end
#
# 71 LEU MDY 35 ILE QD1 6.00 (# 1511:20 Unique 1.91, 4.68 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1258,1259,1260,1262,1263,1264,
igr2= 620, 621, 622,
&end
#
# 67 ILE QG2 35 ILE QD1 4.50 (# 1512:20 Unique 2.12, 4.20 A)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1164,1165,1166,
igr2= 620, 621, 622,
&end
#
# 67 ILE QD1 35 ILE QD1 3.50 (# 1513:20 Unique 1.98, 4.82 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1171,1172,1173,
igr2= 620, 621, 622,
&end
#
# 35 ILE HN 35 ILE QG2 6.00 (# 1514:20 Unique 1.76, 2.76 A)
&rst
ixpk= 1514, nxpk= 20, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 613, 614, 615,
&end
#
# 36 GLU HN 35 ILE QG2 4.50 (# 1515:20 Unique 4.45, 5.23 A)
&rst
ixpk= 1515, nxpk= 20, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 613, 614, 615,
&end
#
# 52 PHE HD 35 ILE QG2 6.00 (# 1516:20 Unique 1.75, 4.69 A)
&rst
ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 915, 923,
igr2= 613, 614, 615,
&end
#
# 113 TYR HD 35 ILE QG2 4.50 (# 1517:20 Unique 4.47, 7.13 A)
&rst
ixpk= 1517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1904,1913,
igr2= 613, 614, 615,
&end
#
# 112 VAL HA 35 ILE QG2 8.00 (# 1519:20 Unique 6.71, 7.69 A)
&rst
ixpk= 1519, nxpk= 20, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 613, 614, 615,
&end
#
# 0 AMB 20-2:1520 35 ILE QG2 6.00 (# 1520:20 Single Ambig)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 590, 628,
igr2= 613, 614, 615,
&end
#
# 35 ILE HA 35 ILE QG2 4.50 (# 1521:20 Unique 3.23, 3.87 A)
&rst
ixpk= 1521, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 613, 614, 615,
&end
#
# 113 TYR HB- 35 ILE QG2 6.00 (# 1523:20 Unique 4.81, 6.50 A)
&rst
ixpk= 1523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1900,1901,
igr2= 613, 614, 615,
&end
#
# 35 ILE HB 35 ILE QG2 2.80 (# 1524:20 Unique 2.44, 2.64 A)
&rst
ixpk= 1524, nxpk= 20, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 613, 614, 615,
&end
#
# 35 ILE HG1- 35 ILE QG2 2.80 (# 1525:20 Unique 2.40, 3.48 A)
&rst
ixpk= 1525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 617, 618,
igr2= 613, 614, 615,
&end
#
# 35 ILE QD1 35 ILE QG2 2.80 (# 1526:20 Unique 1.96, 3.69 A)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 620, 621, 622,
igr2= 613, 614, 615,
&end
#
# 37 ARG HN 36 GLU HB+ 6.00 (# 1527:20 Unique 2.14, 3.74 A)
&rst
ixpk= 1527, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 630, 631,
&end
#
# 36 GLU HN 36 GLU HB+ 6.00 (# 1528:20 Unique 2.78, 3.26 A)
&rst
ixpk= 1528, nxpk= 20, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 630, 631,
&end
#
# 0 AMB 20-2:1529 0 AMB 20-1:1529 6.00 (# 1529:20 Double Ambig)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 626, 976,
igr2= 630, 631, 950,
&end
#
# 0 AMB 20-2:1530 36 GLU HB- 6.00 (# 1530:20 Single Ambig)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 609,1844,
igr2= 630, 631,
&end
#
# 36 GLU HA 36 GLU HB+ 4.50 (# 1531:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1531, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 630, 631,
&end
#
# 0 AMB 20-2:1532 36 GLU HB- 2.80 (# 1532:20 Single Ambig)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 633, 634, 633, 634,
igr2= 630, 631,
&end
#
# 36 GLU HN 0 AMB 20-1:1536 6.00 (# 1536:20 Single Ambig)
&rst
ixpk= 1536, nxpk= 20, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 633, 634, 633, 634,
&end
#
# 36 GLU HA 0 AMB 20-1:1537 4.50 (# 1537:20 Single Ambig)
&rst
ixpk= 1537, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 633, 634, 633, 634,
&end
#
# 36 GLU HB- 0 AMB 20-1:1539 3.50 (# 1539:20 Single Ambig)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 630, 631,
igr2= 633, 634, 633, 634,
&end
#
# 0 AMB 20-2:1540 0 AMB 20-1:1540 6.00 (# 1540:20 Double Ambig)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1= 877, 878, 879, 648, 649, 693, 694,
igr2= 633, 634, 633, 634, 633, 634,
&end
#
# 34 ILE QG2 0 AMB 20-1:1541 4.50 (# 1541:20 Single Ambig)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 594, 595, 596,
igr2= 633, 634, 633, 634,
&end
#
# 37 ARG HN 37 ARG HA 6.00 (# 1542:20 Unique 2.77, 2.79 A)
&rst
ixpk= 1542, nxpk= 20, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 TYR HN 37 ARG HA 3.50 (# 1543:20 Unique 2.13, 2.17 A)
&rst
ixpk= 1543, nxpk= 20, iat= 665, 643, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 TYR HN 37 ARG HA 6.00 (# 1544:20 Unique 1.92, 2.53 A)
&rst
ixpk= 1544, nxpk= 20, iat=1896, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 113 TYR HD 37 ARG HA 6.00 (# 1545:20 Unique 2.94, 4.39 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1904,1913,
&end
#
# 113 TYR HE 37 ARG HA 6.00 (# 1546:20 Unique 3.19, 5.86 A)
&rst
ixpk= 1546, nxpk= 20, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1906,1911,
&end
#
# 112 VAL HA 37 ARG HA 8.00 (# 1547:20 Unique 4.04, 4.38 A)
&rst
ixpk= 1547, nxpk= 20, iat=1882, 643, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 114 ALA HA 37 ARG HA 8.00 (# 1548:20 Unique 3.95, 4.33 A)
&rst
ixpk= 1548, nxpk= 20, iat=1919, 643, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 37 ARG HB- 37 ARG HA 6.00 (# 1553:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1553, nxpk= 20, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 645, 646,
&end
#
# 37 ARG HG- 37 ARG HA 6.00 (# 1554:20 Unique 2.04, 3.17 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 648, 649,
&end
#
# 37 ARG HE 37 ARG HB- 6.00 (# 1555:20 Unique 1.98, 3.73 A)
&rst
ixpk= 1555, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 645, 646,
&end
#
# 113 TYR HE 37 ARG HB- 6.00 (# 1556:20 Unique 2.68, 6.51 A)
&rst
ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1906,1911,
igr2= 645, 646,
&end
#
# 37 ARG HD+ 37 ARG HB- 6.00 (# 1557:20 Unique 2.02, 3.13 A)
&rst
ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 651, 652,
igr2= 645, 646,
&end
#
# 0 AMB 20-2:1558 37 ARG HB- 4.50 (# 1558:20 Single Ambig)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 651, 652, 643,
igr2= 645, 646,
&end
#
# 44 LEU HG 37 ARG HB- 8.00 (# 1560:20 Unique 4.98, 6.30 A)
&rst
ixpk= 1560, nxpk= 20, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 645, 646,
&end
#
# 46 VAL MGY 37 ARG HB- 6.00 (# 1562:20 Unique 3.16, 7.05 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 808, 809, 810, 812, 813, 814,
igr2= 645, 646,
&end
#
# 38 TYR HN 37 ARG HG+ 8.00 (# 1563:20 Unique 2.42, 3.98 A)
&rst
ixpk= 1563, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 648, 649,
&end
#
# 37 ARG HN 37 ARG HG- 8.00 (# 1564:20 Unique 1.95, 3.72 A)
&rst
ixpk= 1564, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 648, 649,
&end
#
# 38 TYR HN 37 ARG HG- 6.00 (# 1565:20 Unique 2.42, 3.98 A)
&rst
ixpk= 1565, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 648, 649,
&end
#
# 37 ARG HE 37 ARG HG+ 6.00 (# 1566:20 Unique 2.14, 3.28 A)
&rst
ixpk= 1566, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 648, 649,
&end
#
# 0 AMB 20-2:1567 0 AMB 20-1:1567 6.00 (# 1567:20 Double Ambig)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1904,1913, 265, 266,
igr2= 648, 649, 187, 188,
&end
#
# 37 ARG HD+ 37 ARG HG+ 6.00 (# 1568:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 651, 652,
igr2= 648, 649,
&end
#
# 0 AMB 20-2:1569 0 AMB 20-1:1569 6.00 (# 1569:20 Double Ambig)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 643, 651, 652,
igr2= 648, 649, 648, 649,
&end
#
# 0 AMB 20-2:1570 0 AMB 20-1:1570 6.00 (# 1570:20 Double Ambig)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1900,1901, 759, 760,
igr2= 648, 649, 648, 649,
&end
#
# 0 AMB 20-2:1571 37 ARG HG- 6.00 (# 1571:20 Single Ambig)
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1900,1901, 759, 760,
igr2= 648, 649,
&end
#
# 0 AMB 20-2:1572 0 AMB 20-1:1572 6.00 (# 1572:20 Double Ambig)
&rst
ixpk= 1572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 633, 634, 633, 634, 565, 566,
igr2= 648, 649, 934,
&end
#
# 0 AMB 20-2:1573 0 AMB 20-1:1573 6.00 (# 1573:20 Double Ambig)
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 806, 719, 720,
igr2= 648, 649, 648, 649,
&end
#
# 0 AMB 20-2:1574 0 AMB 20-1:1574 6.00 (# 1574:20 Double Ambig)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 806, 719, 720,1807,1808,
igr2= 648, 649, 934,
&end
#
# 0 AMB 20-2:1575 0 AMB 20-1:1575 6.00 (# 1575:20 Double Ambig)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 737, 738, 645, 646,
igr2= 648, 649, 648, 649,
&end
#
# 0 AMB 20-2:1576 37 ARG HG- 6.00 (# 1576:20 Single Ambig)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 737, 738, 645, 646,
igr2= 648, 649,
&end
#
# 37 ARG HN 37 ARG HD- 8.00 (# 1577:20 Unique 3.32, 4.41 A)
&rst
ixpk= 1577, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 651, 652,
&end
#
# 37 ARG HE 37 ARG HD+ 6.00 (# 1578:20 Unique 2.29, 2.69 A)
&rst
ixpk= 1578, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 651, 652,
&end
#
# 37 ARG HE 37 ARG HD- 6.00 (# 1579:20 Unique 2.29, 2.69 A)
&rst
ixpk= 1579, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 651, 652,
&end
#
# 113 TYR HE 37 ARG HD+ 8.00 (# 1580:20 Unique 3.25, 6.64 A)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1906,1911,
igr2= 651, 652,
&end
#
# 114 ALA HA 37 ARG HD+ 6.00 (# 1582:20 Unique 2.64, 5.90 A)
&rst
ixpk= 1582, nxpk= 20, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 651, 652,
&end
#
# 114 ALA HA 37 ARG HD- 6.00 (# 1583:20 Unique 2.64, 5.90 A)
&rst
ixpk= 1583, nxpk= 20, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 651, 652,
&end
#
# 0 AMB 20-2:1584 0 AMB 20-1:1584 8.00 (# 1584:20 Double Ambig)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 804, 789, 790,
igr2= 651, 652, 651, 652,
&end
#
# 0 AMB 20-2:1585 37 ARG HD- 8.00 (# 1585:20 Single Ambig)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 804, 789, 790,
igr2= 651, 652,
&end
#
# 0 AMB 20-2:1588 0 AMB 20-1:1588 6.00 (# 1588:20 Double Ambig)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1900,1901, 722, 723, 759, 760, 719, 720,
igr2= 651, 652, 651, 652, 651, 652, 651, 652,
&end
#
# 0 AMB 20-2:1589 37 ARG HD- 6.00 (# 1589:20 Single Ambig)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1900,1901, 722, 723, 759, 760, 719, 720,
igr2= 651, 652,
&end
#
# 0 AMB 20-2:1590 37 ARG HD- 6.00 (# 1590:20 Single Ambig)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 756, 757, 633, 634, 633, 634, 722, 723,
igr2= 651, 652,
&end
#
# 0 AMB 20-2:1591 0 AMB 20-1:1591 6.00 (# 1591:20 Double Ambig)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 756, 757, 633, 634, 633, 634, 722, 723,
igr2= 651, 652, 651, 652, 651, 652, 651, 652,
&end
#
# 0 AMB 20-2:1592 0 AMB 20-1:1592 6.00 (# 1592:20 Double Ambig)
&rst
ixpk= 1592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 806, 719, 720,
igr2= 651, 652, 651, 652,
&end
#
# 0 AMB 20-2:1593 37 ARG HD- 6.00 (# 1593:20 Single Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 806, 719, 720,
igr2= 651, 652,
&end
#
# 0 AMB 20-2:1594 0 AMB 20-1:1594 6.00 (# 1594:20 Double Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 737, 738, 645, 646,
igr2= 651, 652, 651, 652,
&end
#
# 0 AMB 20-2:1595 37 ARG HD- 6.00 (# 1595:20 Single Ambig)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 737, 738, 645, 646,
igr2= 651, 652,
&end
#
# 46 VAL MGX 37 ARG HD+ 6.00 (# 1596:20 Unique 1.82, 6.38 A)
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 808, 809, 810, 812, 813, 814,
igr2= 651, 652,
&end
#
# 46 VAL MGX 37 ARG HD- 6.00 (# 1597:20 Unique 1.82, 6.38 A)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 808, 809, 810, 812, 813, 814,
igr2= 651, 652,
&end
#
# 37 ARG HG- 37 ARG HD- 6.00 (# 1598:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 648, 649,
igr2= 651, 652,
&end
#
# 38 TYR HE 38 TYR HA 6.00 (# 1600:20 Unique 5.92, 6.31 A)
&rst
ixpk= 1600, nxpk= 20, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 675, 680,
&end
#
# 38 TYR HB+ 38 TYR HA 4.50 (# 1601:20 Unique 2.29, 2.43 A)
&rst
ixpk= 1601, nxpk= 20, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 669, 670,
&end
#
# 0 AMB 20-2:1602 38 TYR HA 6.00 (# 1602:20 Single Ambig)
&rst
ixpk= 1602, nxpk= 20, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 693, 694, 648, 649,
&end
#
# 74 ASN HN 74 ASN HB+ 4.50 (# 1603:20 Unique 2.06, 3.16 A)
&rst
ixpk= 1603, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1308,1309,
&end
#
# 74 ASN HN 74 ASN HB- 4.50 (# 1604:20 Unique 2.06, 3.16 A)
&rst
ixpk= 1604, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1308,1309,
&end
#
# 75 ALA HN 74 ASN HB+ 4.50 (# 1605:20 Unique 1.91, 3.18 A)
&rst
ixpk= 1605, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1308,1309,
&end
#
# 76 ASN HN 74 ASN HB+ 6.00 (# 1606:20 Unique 1.96, 3.13 A)
&rst
ixpk= 1606, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1308,1309,
&end
#
# 76 ASN HN 74 ASN HB- 6.00 (# 1607:20 Unique 1.96, 3.13 A)
&rst
ixpk= 1607, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1308,1309,
&end
#
# 74 ASN HD2+ 74 ASN HB+ 6.00 (# 1609:20 Unique 2.15, 3.29 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1313,1314,
igr2=1308,1309,
&end
#
# 74 ASN HD2+ 74 ASN HB- 6.00 (# 1610:20 Unique 2.15, 3.29 A)
&rst
ixpk= 1610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1313,1314,
igr2=1308,1309,
&end
#
# 0 AMB 20-2:1611 0 AMB 20-1:1611 8.00 (# 1611:20 Double Ambig)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1342,1337,1338,
igr2=1308,1309,1308,1309,
&end
#
# 0 AMB 20-2:1612 74 ASN HB- 6.00 (# 1612:20 Single Ambig)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1342,1337,1338,
igr2=1308,1309,
&end
#
# 74 ASN HD2- 74 ASN HB+ 6.00 (# 1613:20 Unique 2.15, 3.29 A)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1313,1314,
igr2=1308,1309,
&end
#
# 74 ASN HD2- 74 ASN HB- 6.00 (# 1614:20 Unique 2.15, 3.29 A)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1313,1314,
igr2=1308,1309,
&end
#
# 74 ASN HA 74 ASN HB+ 4.50 (# 1615:20 Unique 2.38, 2.81 A)
&rst
ixpk= 1615, nxpk= 20, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1308,1309,
&end
#
# 74 ASN HA 74 ASN HB- 3.50 (# 1616:20 Unique 2.38, 2.81 A)
&rst
ixpk= 1616, nxpk= 20, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1308,1309,
&end
#
# 0 AMB 20-2:1617 0 AMB 20-1:1617 6.00 (# 1617:20 Double Ambig)
&rst
ixpk= 1617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1287,1344,
igr2=1308,1309,1308,1309,
&end
#
# 77 GLN HA 74 ASN HB- 6.00 (# 1618:20 Unique 4.25, 5.66 A)
&rst
ixpk= 1618, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1308,1309,
&end
#
# 77 GLN HB+ 74 ASN HB+ 6.00 (# 1621:20 Unique 1.99, 4.08 A)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1346,1347,
igr2=1308,1309,
&end
#
# 77 GLN HB+ 74 ASN HB- 6.00 (# 1622:20 Unique 1.99, 4.08 A)
&rst
ixpk= 1622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1346,1347,
igr2=1308,1309,
&end
#
# 75 ALA MB 74 ASN HB+ 6.00 (# 1623:20 Unique 3.94, 5.70 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1322,1323,1324,
igr2=1308,1309,
&end
#
# 75 ALA MB 74 ASN HB- 6.00 (# 1624:20 Unique 3.94, 5.70 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1322,1323,1324,
igr2=1308,1309,
&end
#
# 39 LYS HN 39 LYS HA 4.50 (# 1625:20 Unique 2.69, 2.76 A)
&rst
ixpk= 1625, nxpk= 20, iat= 686, 688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 TYR HD 100 GLU HA 6.00 (# 1626:20 Unique 3.08, 4.79 A)
&rst
ixpk= 1626, nxpk= 20, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1681,1690,
&end
#
# 40 GLY HN 39 LYS HA 6.00 (# 1627:20 Unique 2.14, 2.84 A)
&rst
ixpk= 1627, nxpk= 20, iat= 708, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1628 0 AMB 20-1:1628 4.50 (# 1628:20 Double Ambig)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 667,1644, 717,
igr2= 688,1696,
&end
#
# 0 AMB 20-2:1629 39 LYS HA 2.80 (# 1629:20 Single Ambig)
&rst
ixpk= 1629, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 690, 691, 740, 741,
&end
#
# 0 AMB 20-2:1630 39 LYS HA 2.80 (# 1630:20 Single Ambig)
&rst
ixpk= 1630, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 690, 691, 737, 738,
&end
#
# 0 AMB 20-2:1632 0 AMB 20-1:1632 4.50 (# 1632:20 Double Ambig)
&rst
ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 693, 694,1745,1746,
igr2= 688,1696,
&end
#
# 0 AMB 20-2:1633 100 GLU HA 6.00 (# 1633:20 Single Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1742,1743,1742,1743,
&end
#
# 103 LYS HD- 100 GLU HA 6.00 (# 1634:20 Unique 2.79, 4.97 A)
&rst
ixpk= 1634, nxpk= 20, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1745,1746,
&end
#
# 40 GLY HN 39 LYS HB+ 8.00 (# 1636:20 Unique 2.05, 3.35 A)
&rst
ixpk= 1636, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 690, 691,
&end
#
# 40 GLY HN 39 LYS HB- 6.00 (# 1637:20 Unique 2.05, 3.35 A)
&rst
ixpk= 1637, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 690, 691,
&end
#
# 38 TYR HA 0 AMB 20-1:1638 6.00 (# 1638:20 Single Ambig)
&rst
ixpk= 1638, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 690, 691, 645, 646,
&end
#
# 39 LYS HA 39 LYS HB+ 3.50 (# 1641:20 Unique 2.39, 2.74 A)
&rst
ixpk= 1641, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 690, 691,
&end
#
# 0 AMB 20-2:1642 0 AMB 20-1:1642 8.00 (# 1642:20 Double Ambig)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.25, r4=15.75,
igr1= 190, 191, 190, 191, 699, 700, 699, 700,
igr2= 160, 161, 690, 691, 690, 691,
&end
#
# 39 LYS HG+ 39 LYS HB+ 3.50 (# 1645:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 693, 694,
igr2= 690, 691,
&end
#
# 0 AMB 20-2:1646 0 AMB 20-1:1646 2.80 (# 1646:20 Double Ambig)
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 693, 694, 693, 694, 648, 649,
igr2= 690, 691, 645, 646,
&end
#
# 39 LYS HN 39 LYS HG+ 6.00 (# 1647:20 Unique 1.93, 3.03 A)
&rst
ixpk= 1647, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 693, 694,
&end
#
# 39 LYS HN 39 LYS HG- 6.00 (# 1648:20 Unique 1.93, 3.03 A)
&rst
ixpk= 1648, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 693, 694,
&end
#
# 40 GLY HN 39 LYS HG+ 8.00 (# 1649:20 Unique 2.55, 4.51 A)
&rst
ixpk= 1649, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 693, 694,
&end
#
# 40 GLY HN 39 LYS HG- 6.00 (# 1650:20 Unique 2.55, 4.51 A)
&rst
ixpk= 1650, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 693, 694,
&end
#
# 39 LYS HA 39 LYS HG+ 6.00 (# 1651:20 Unique 2.23, 2.85 A)
&rst
ixpk= 1651, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 693, 694,
&end
#
# 39 LYS HA 39 LYS HG- 6.00 (# 1652:20 Unique 2.23, 2.85 A)
&rst
ixpk= 1652, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 693, 694,
&end
#
# 0 AMB 20-2:1653 0 AMB 20-1:1653 6.00 (# 1653:20 Double Ambig)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 699, 700, 699, 700,
igr2= 693, 694, 693, 694,
&end
#
# 0 AMB 20-2:1654 39 LYS HG- 6.00 (# 1654:20 Single Ambig)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 699, 700, 699, 700,
igr2= 693, 694,
&end
#
# 39 LYS HA 0 AMB 20-1:1659 6.00 (# 1659:20 Single Ambig)
&rst
ixpk= 1659, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 696, 697, 696, 697,
&end
#
# 0 AMB 20-2:1660 0 AMB 20-1:1660 2.80 (# 1660:20 Double Ambig)
&rst
ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 693, 694, 693, 694,
igr2= 696, 697, 696, 697,
&end
#
# 41 GLU HN 40 GLY HA+ 6.00 (# 1662:20 Unique 2.48, 3.09 A)
&rst
ixpk= 1662, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 710, 711,
&end
#
# 38 TYR HE 40 GLY HA+ 6.00 (# 1664:20 Unique 2.02, 6.17 A)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 675, 680,
igr2= 710, 711,
&end
#
# 38 TYR HE 40 GLY HA- 6.00 (# 1665:20 Unique 2.02, 6.17 A)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 675, 680,
igr2= 710, 711,
&end
#
# 38 TYR HD 40 GLY HA- 8.00 (# 1666:20 Unique 1.99, 5.96 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 673, 682,
igr2= 710, 711,
&end
#
# 41 GLU HN 40 GLY HA- 6.00 (# 1667:20 Unique 2.48, 3.09 A)
&rst
ixpk= 1667, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 710, 711,
&end
#
# 39 LYS HG- 40 GLY HA+ 8.00 (# 1670:20 Unique 3.75, 6.41 A)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 693, 694,
igr2= 710, 711,
&end
#
# 43 GLN HN 41 GLU HA 4.50 (# 1672:20 Unique 3.81, 4.29 A)
&rst
ixpk= 1672, nxpk= 20, iat= 752, 717, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 TYR HB- 41 GLU HA 8.00 (# 1673:20 Unique 5.78, 7.87 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 669, 670,
&end
#
# 42 LYS HB- 41 GLU HA 6.00 (# 1674:20 Unique 4.09, 4.93 A)
&rst
ixpk= 1674, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 734, 735,
&end
#
# 0 AMB 20-2:1675 41 GLU HA 6.00 (# 1675:20 Single Ambig)
&rst
ixpk= 1675, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 737, 738, 645, 646,
&end
#
# 41 GLU HN 41 GLU HB+ 4.50 (# 1676:20 Unique 2.49, 2.94 A)
&rst
ixpk= 1676, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 719, 720,
&end
#
# 38 TYR HD 41 GLU HB+ 6.00 (# 1677:20 Unique 3.32, 5.40 A)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 673, 682,
igr2= 719, 720,
&end
#
# 38 TYR HD 41 GLU HB- 6.00 (# 1678:20 Unique 3.32, 5.40 A)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 673, 682,
igr2= 719, 720,
&end
#
# 41 GLU HA 41 GLU HB+ 6.00 (# 1679:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1679, nxpk= 20, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 719, 720,
&end
#
# 41 GLU HA 41 GLU HB- 6.00 (# 1680:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1680, nxpk= 20, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 719, 720,
&end
#
# 41 GLU HG- 41 GLU HB+ 4.50 (# 1684:20 Unique 2.25, 2.64 A)
&rst
ixpk= 1684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 722, 723,
igr2= 719, 720,
&end
#
# 37 ARG HG+ 41 GLU HB+ 6.00 (# 1686:20 Unique 4.47, 7.18 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 648, 649,
igr2= 719, 720,
&end
#
# 41 GLU HG- 41 GLU HB- 3.50 (# 1687:20 Unique 2.25, 2.64 A)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 722, 723,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:1689 0 AMB 20-1:1689 6.00 (# 1689:20 Double Ambig)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=1921,1922,1923, 737, 738,
igr2= 719, 720, 719, 720,
&end
#
# 37 ARG HG- 41 GLU HB+ 6.00 (# 1690:20 Unique 4.47, 7.18 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 648, 649,
igr2= 719, 720,
&end
#
# 37 ARG HG- 41 GLU HB- 6.00 (# 1691:20 Unique 4.47, 7.18 A)
&rst
ixpk= 1691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 648, 649,
igr2= 719, 720,
&end
#
# 44 LEU HN 41 GLU HG+ 6.00 (# 1692:20 Unique 4.04, 5.03 A)
&rst
ixpk= 1692, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 722, 723,
&end
#
# 44 LEU HN 41 GLU HG- 6.00 (# 1693:20 Unique 4.04, 5.03 A)
&rst
ixpk= 1693, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 722, 723,
&end
#
# 43 GLN HN 41 GLU HG- 6.00 (# 1694:20 Unique 1.78, 2.69 A)
&rst
ixpk= 1694, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 722, 723,
&end
#
# 41 GLU HN 41 GLU HG+ 8.00 (# 1695:20 Unique 3.35, 4.49 A)
&rst
ixpk= 1695, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 722, 723,
&end
#
# 41 GLU HN 41 GLU HG- 6.00 (# 1696:20 Unique 3.35, 4.49 A)
&rst
ixpk= 1696, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 722, 723,
&end
#
# 0 AMB 20-2:1697 0 AMB 20-1:1697 6.00 (# 1697:20 Double Ambig)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1919, 771,
igr2= 722, 723, 722, 723,
&end
#
# 41 GLU HA 41 GLU HG+ 8.00 (# 1699:20 Unique 2.30, 3.28 A)
&rst
ixpk= 1699, nxpk= 20, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 722, 723,
&end
#
# 41 GLU HA 41 GLU HG- 6.00 (# 1700:20 Unique 2.30, 3.28 A)
&rst
ixpk= 1700, nxpk= 20, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 722, 723,
&end
#
# 37 ARG HD- 41 GLU HG- 6.00 (# 1704:20 Unique 4.34, 7.06 A)
&rst
ixpk= 1704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 651, 652,
igr2= 722, 723,
&end
#
# 41 GLU HB- 41 GLU HG+ 4.50 (# 1705:20 Unique 2.25, 2.64 A)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 719, 720,
igr2= 722, 723,
&end
#
# 41 GLU HB- 41 GLU HG- 2.80 (# 1706:20 Unique 2.25, 2.64 A)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 719, 720,
igr2= 722, 723,
&end
#
# 0 AMB 20-2:1707 0 AMB 20-1:1707 6.00 (# 1707:20 Double Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 645, 646, 773, 774,
igr2= 722, 723, 722, 723,
&end
#
# 0 AMB 20-2:1708 0 AMB 20-1:1708 6.00 (# 1708:20 Double Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1=1921,1922,1923, 737, 738, 645, 646,
igr2= 722, 723, 722, 723, 722, 723,
&end
#
# 0 AMB 20-2:1709 41 GLU HG- 6.00 (# 1709:20 Single Ambig)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 734, 735, 773, 774, 740, 741,
igr2= 722, 723,
&end
#
# 44 LEU HB+ 41 GLU HG- 8.00 (# 1710:20 Unique 5.83, 7.91 A)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 773, 774,
igr2= 722, 723,
&end
#
# 37 ARG HG- 41 GLU HG+ 6.00 (# 1711:20 Unique 4.64, 6.83 A)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 648, 649,
igr2= 722, 723,
&end
#
# 43 GLN HN 42 LYS HB+ 6.00 (# 1715:20 Unique 4.13, 4.37 A)
&rst
ixpk= 1715, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 734, 735,
&end
#
# 6 THR HN 0 AMB 20-1:1716 6.00 (# 1716:20 Single Ambig)
&rst
ixpk= 1716, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 65, 66, 65, 66,
&end
#
# 42 LYS HA 42 LYS HB+ 3.50 (# 1717:20 Unique 2.51, 2.79 A)
&rst
ixpk= 1717, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 734, 735,
&end
#
# 43 GLN HA 42 LYS HB+ 8.00 (# 1718:20 Unique 4.51, 5.03 A)
&rst
ixpk= 1718, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 734, 735,
&end
#
# 5 LYS HA 0 AMB 20-1:1719 4.50 (# 1719:20 Single Ambig)
&rst
ixpk= 1719, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 65, 66, 65, 66,
&end
#
# 0 AMB 20-2:1720 0 AMB 20-1:1720 6.00 (# 1720:20 Double Ambig)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 717, 48, 158,
igr2= 734, 735, 65, 66, 65, 66, 65, 66,
&end
#
# 0 AMB 20-2:1721 0 AMB 20-1:1721 8.00 (# 1721:20 Double Ambig)
&rst
ixpk= 1721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 743, 744, 743, 744,
igr2= 734, 735, 734, 735,
&end
#
# 0 AMB 20-2:1722 42 LYS HB- 6.00 (# 1722:20 Single Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 743, 744, 743, 744,
igr2= 734, 735,
&end
#
# 0 AMB 20-2:1723 0 AMB 20-1:1723 2.80 (# 1723:20 Double Ambig)
&rst
ixpk= 1723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 71, 72, 68, 69, 68, 69, 737, 738,
igr2= 65, 66, 65, 66, 65, 66, 734, 735,
&end
#
# 42 LYS HN 42 LYS HG+ 6.00 (# 1724:20 Unique 2.72, 3.83 A)
&rst
ixpk= 1724, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 737, 738,
&end
#
# 42 LYS HN 42 LYS HG- 6.00 (# 1725:20 Unique 2.72, 3.83 A)
&rst
ixpk= 1725, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 737, 738,
&end
#
# 43 GLN HN 42 LYS HG- 8.00 (# 1726:20 Unique 4.48, 5.34 A)
&rst
ixpk= 1726, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 737, 738,
&end
#
# 42 LYS HA 42 LYS HG- 4.50 (# 1728:20 Unique 2.03, 3.00 A)
&rst
ixpk= 1728, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 737, 738,
&end
#
# 42 LYS HA 42 LYS HG+ 4.50 (# 1729:20 Unique 2.03, 3.00 A)
&rst
ixpk= 1729, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 737, 738,
&end
#
# 0 AMB 20-2:1730 42 LYS HG- 8.00 (# 1730:20 Single Ambig)
&rst
ixpk= 1730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 717, 667,
igr2= 737, 738,
&end
#
# 0 AMB 20-2:1731 42 LYS HG- 6.00 (# 1731:20 Single Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 743, 744, 743, 744,
igr2= 737, 738,
&end
#
# 42 LYS HB+ 42 LYS HG+ 3.50 (# 1732:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 734, 735,
igr2= 737, 738,
&end
#
# 42 LYS HB+ 42 LYS HG- 4.50 (# 1733:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 734, 735,
igr2= 737, 738,
&end
#
# 42 LYS HD+ 42 LYS HG+ 2.80 (# 1734:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 740, 741,
igr2= 737, 738,
&end
#
# 42 LYS HD+ 42 LYS HG- 2.80 (# 1735:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 740, 741,
igr2= 737, 738,
&end
#
# 37 ARG HG- 42 LYS HG+ 6.00 (# 1738:20 Unique 2.06, 5.13 A)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 648, 649,
igr2= 737, 738,
&end
#
# 42 LYS HA 42 LYS HD+ 4.50 (# 1740:20 Unique 2.14, 3.18 A)
&rst
ixpk= 1740, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 740, 741,
&end
#
# 0 AMB 20-2:1741 0 AMB 20-1:1741 3.50 (# 1741:20 Double Ambig)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 743, 744, 743, 744,
igr2= 740, 741, 740, 741,
&end
#
# 0 AMB 20-2:1742 42 LYS HD- 3.50 (# 1742:20 Single Ambig)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 743, 744, 743, 744,
igr2= 740, 741,
&end
#
# 42 LYS HB+ 42 LYS HD+ 2.80 (# 1743:20 Unique 2.04, 3.09 A)
&rst
ixpk= 1743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 734, 735,
igr2= 740, 741,
&end
#
# 42 LYS HB+ 42 LYS HD- 4.50 (# 1744:20 Unique 2.04, 3.09 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 734, 735,
igr2= 740, 741,
&end
#
# 42 LYS HG- 42 LYS HD+ 2.80 (# 1746:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 737, 738,
igr2= 740, 741,
&end
#
# 42 LYS HG- 42 LYS HD- 2.80 (# 1747:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 737, 738,
igr2= 740, 741,
&end
#
# 8 LYS HN 0 AMB 20-1:1748 8.00 (# 1748:20 Single Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 743, 744, 743, 744,
&end
#
# 41 GLU HN 0 AMB 20-1:1749 6.00 (# 1749:20 Single Ambig)
&rst
ixpk= 1749, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 743, 744, 743, 744,
&end
#
# 0 AMB 20-2:1752 0 AMB 20-1:1752 4.50 (# 1752:20 Double Ambig)
&rst
ixpk= 1752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 645, 646, 645, 646,
igr2= 743, 744, 743, 744,
&end
#
# 0 AMB 20-2:1753 0 AMB 20-1:1753 4.50 (# 1753:20 Double Ambig)
&rst
ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 693, 694, 693, 694,
igr2= 743, 744, 743, 744,
&end
#
# 0 AMB 20-2:1755 0 AMB 20-1:1755 6.00 (# 1755:20 Double Ambig)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 752,1573,
igr2= 754,1575,
&end
#
# 43 GLN HB- 43 GLN HA 6.00 (# 1756:20 Unique 2.25, 2.65 A)
&rst
ixpk= 1756, nxpk= 20, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 756, 757,
&end
#
# 41 GLU HG+ 43 GLN HA 6.00 (# 1757:20 Unique 3.32, 4.34 A)
&rst
ixpk= 1757, nxpk= 20, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 722, 723,
&end
#
# 0 AMB 20-2:1758 43 GLN HA 4.50 (# 1758:20 Single Ambig)
&rst
ixpk= 1758, nxpk= 20, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 756, 757, 722, 723,
&end
#
# 44 LEU HN 43 GLN HB- 4.50 (# 1759:20 Unique 1.88, 2.72 A)
&rst
ixpk= 1759, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 756, 757,
&end
#
# 78 ALA HN 77 GLN HB+ 6.00 (# 1760:20 Unique 2.67, 3.84 A)
&rst
ixpk= 1760, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1346,1347,
&end
#
# 0 AMB 20-2:1761 0 AMB 20-1:1761 3.50 (# 1761:20 Double Ambig)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 752,1720,
igr2= 756, 757,1724,1725,
&end
#
# 0 AMB 20-2:1762 0 AMB 20-1:1762 6.00 (# 1762:20 Double Ambig)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 226, 234, 180,
igr2= 274, 275, 274, 275,
&end
#
# 0 AMB 20-2:1763 0 AMB 20-1:1763 4.50 (# 1763:20 Double Ambig)
&rst
ixpk= 1763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1722, 771,
igr2=1724,1725, 756, 757,
&end
#
# 0 AMB 20-2:1764 43 GLN HB- 6.00 (# 1764:20 Single Ambig)
&rst
ixpk= 1764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 773, 774, 645, 646,
igr2= 756, 757,
&end
#
# 44 LEU MDY 43 GLN HB+ 6.00 (# 1765:20 Unique 2.92, 5.59 A)
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 778, 779, 780, 782, 783, 784,
igr2= 756, 757,
&end
#
# 44 LEU HN 43 GLN HG+ 6.00 (# 1766:20 Unique 1.83, 3.81 A)
&rst
ixpk= 1766, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 759, 760,
&end
#
# 44 LEU HN 43 GLN HG- 8.00 (# 1767:20 Unique 1.83, 3.81 A)
&rst
ixpk= 1767, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 759, 760,
&end
#
# 43 GLN HN 43 GLN HG- 6.00 (# 1770:20 Unique 1.77, 2.79 A)
&rst
ixpk= 1770, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 759, 760,
&end
#
# 116 GLN HE2+ 43 GLN HG+ 6.00 (# 1771:20 Unique 4.01, 6.32 A)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1950,1951,
igr2= 759, 760,
&end
#
# 116 GLN HE2+ 43 GLN HG- 6.00 (# 1772:20 Unique 4.01, 6.32 A)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1950,1951,
igr2= 759, 760,
&end
#
# 44 LEU HN 44 LEU HB+ 6.00 (# 1778:20 Unique 2.47, 3.11 A)
&rst
ixpk= 1778, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 773, 774,
&end
#
# 113 TYR HE 44 LEU HB+ 6.00 (# 1781:20 Unique 1.96, 5.06 A)
&rst
ixpk= 1781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1906,1911,
igr2= 773, 774,
&end
#
# 113 TYR HE 44 LEU HB- 6.00 (# 1782:20 Unique 1.96, 5.06 A)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1906,1911,
igr2= 773, 774,
&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= 8.49, r4= 8.99,
igr1= 771,1919,
igr2= 773, 774, 773, 774,
&end
#
# 0 AMB 20-2:1784 44 LEU HB- 6.00 (# 1784:20 Single Ambig)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 771,1919,
igr2= 773, 774,
&end
#
# 45 PRO HD+ 44 LEU HB+ 8.00 (# 1785:20 Unique 2.00, 3.78 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 789, 790,
igr2= 773, 774,
&end
#
# 45 PRO HD+ 44 LEU HB- 6.00 (# 1786:20 Unique 2.00, 3.78 A)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 789, 790,
igr2= 773, 774,
&end
#
# 45 PRO HD- 44 LEU HB+ 6.00 (# 1787:20 Unique 2.00, 3.78 A)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 789, 790,
igr2= 773, 774,
&end
#
# 45 PRO HD- 44 LEU HB- 6.00 (# 1788:20 Unique 2.00, 3.78 A)
&rst
ixpk= 1788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 789, 790,
igr2= 773, 774,
&end
#
# 79 PHE HB+ 44 LEU HB+ 8.00 (# 1790:20 Unique 4.00, 6.94 A)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1373,1374,
igr2= 773, 774,
&end
#
# 41 GLU HG- 44 LEU HB+ 6.00 (# 1791:20 Unique 5.83, 7.91 A)
&rst
ixpk= 1791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 722, 723,
igr2= 773, 774,
&end
#
# 0 AMB 20-2:1792 0 AMB 20-1:1792 6.00 (# 1792:20 Double Ambig)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1900,1901, 759, 760, 795, 796,
igr2= 773, 774, 773, 774, 773, 774,
&end
#
# 0 AMB 20-2:1793 44 LEU HB- 8.00 (# 1793:20 Single Ambig)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1900,1901, 759, 760,
igr2= 773, 774,
&end
#
# 0 AMB 20-2:1794 0 AMB 20-1:1794 6.00 (# 1794:20 Double Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 776, 792, 793,
igr2= 773, 774, 773, 774,
&end
#
# 0 AMB 20-2:1795 44 LEU HB- 6.00 (# 1795:20 Single Ambig)
&rst
ixpk= 1795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 776, 792, 793,
igr2= 773, 774,
&end
#
# 44 LEU MDX 44 LEU HB- 3.50 (# 1798:20 Unique 2.32, 3.26 A)
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 778, 779, 780, 782, 783, 784,
igr2= 773, 774,
&end
#
# 73 LEU MDY 44 LEU HB- 8.00 (# 1799:20 Unique 1.78, 5.45 A)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 773, 774,
&end
#
# 115 SER HN 44 LEU MDX 6.00 (# 1802:20 Unique 2.20, 4.58 A)
&rst
ixpk= 1802, nxpk= 20, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 44 LEU HN 44 LEU MDX 6.00 (# 1803:20 Unique 1.82, 4.09 A)
&rst
ixpk= 1803, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1804 44 LEU MDX 6.00 (# 1804:20 Single Ambig)
&rst
ixpk= 1804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1389,1917,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1805 44 LEU MDX 2.80 (# 1805:20 Single Ambig)
&rst
ixpk= 1805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1904,1913, 764, 765,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 113 TYR HE 44 LEU MDX 6.00 (# 1806:20 Unique 1.54, 5.44 A)
&rst
ixpk= 1806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1906,1911,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1807 44 LEU MDX 6.00 (# 1807:20 Single Ambig)
&rst
ixpk= 1807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1371,1929,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 115 SER HB+ 44 LEU MDX 6.00 (# 1808:20 Unique 1.63, 3.94 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1931,1932,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 115 SER HB- 44 LEU MDX 6.00 (# 1809:20 Unique 1.63, 3.94 A)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1931,1932,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1810 44 LEU MDX 6.00 (# 1810:20 Single Ambig)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1373,1374,1900,1901,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1813 44 LEU MDX 3.50 (# 1813:20 Single Ambig)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 773, 774, 645, 646,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1815 44 LEU MDX 6.00 (# 1815:20 Single Ambig)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 645, 646,1921,1922,1923,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 73 LEU MDX 44 LEU MDX 6.00 (# 1819:20 Unique 1.28, 5.54 A)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 82 LEU HN 82 LEU MDX 6.00 (# 1821:20 Unique 1.77, 4.09 A)
&rst
ixpk= 1821, nxpk= 20, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1437,1438,1439,1441,1442,1443,
&end
#
# 0 AMB 20-2:1827 82 LEU MDX 8.00 (# 1827:20 Single Ambig)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1=1506,1507,1506,1507,
igr2=1437,1438,1439,1441,1442,1443,
&end
#
# 117 GLU HA 82 LEU MDX 6.00 (# 1828:20 Unique 1.74, 3.82 A)
&rst
ixpk= 1828, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1437,1438,1439,1441,1442,1443,
&end
#
# 0 AMB 20-2:1829 82 LEU MDX 6.00 (# 1829:20 Single Ambig)
&rst
ixpk= 1829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1393,1394, 669, 670,
igr2=1437,1438,1439,1441,1442,1443,
&end
#
# 102 GLU HN 99 TYR HA 8.00 (# 1830:20 Unique 3.03, 3.36 A)
&rst
ixpk= 1830, nxpk= 20, iat=1720,1675, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 46 VAL HN 46 VAL HA 6.00 (# 1831:20 Unique 2.90, 2.92 A)
&rst
ixpk= 1831, nxpk= 20, iat= 802, 804, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 LYS HN 99 TYR HA 8.00 (# 1832:20 Unique 3.90, 4.26 A)
&rst
ixpk= 1832, nxpk= 20, iat=1735,1675, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 99 TYR HB+ 99 TYR HA 4.50 (# 1833:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1833, nxpk= 20, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1677,1678,
&end
#
# 99 TYR HB- 99 TYR HA 3.50 (# 1834:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1834, nxpk= 20, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1677,1678,
&end
#
# 31 ILE QD1 0 AMB 20-1:1836 3.50 (# 1836:20 Single Ambig)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 552, 553, 554,
igr2=1633,1635,1636,1635,1636,
&end
#
# 46 VAL HB 46 VAL HA 3.50 (# 1837:20 Unique 2.37, 2.54 A)
&rst
ixpk= 1837, nxpk= 20, iat= 806, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1838 99 TYR HA 8.00 (# 1838:20 Single Ambig)
&rst
ixpk= 1838, nxpk= 20, iat= -1,1675, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1827,1828,1724,1725,
&end
#
# 103 LYS HE+ 99 TYR HA 8.00 (# 1839:20 Unique 6.02, 7.53 A)
&rst
ixpk= 1839, nxpk= 20, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1748,1749,
&end
#
# 37 ARG HD- 46 VAL HA 6.00 (# 1840:20 Unique 3.41, 5.08 A)
&rst
ixpk= 1840, nxpk= 20, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 651, 652,
&end
#
# 36 GLU HA 46 VAL HA 8.00 (# 1841:20 Unique 6.04, 6.18 A)
&rst
ixpk= 1841, nxpk= 20, iat= 628, 804, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 47 LEU HN 46 VAL HA 3.50 (# 1842:20 Unique 2.13, 2.19 A)
&rst
ixpk= 1842, nxpk= 20, iat= 818, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 HIS HA 28 PRO HB+ 8.00 (# 1843:20 Unique 4.99, 5.38 A)
&rst
ixpk= 1843, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 496, 497,
&end
#
# 45 PRO HD- 45 PRO HB+ 6.00 (# 1844:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 789, 790,
igr2= 795, 796,
&end
#
# 45 PRO HD- 45 PRO HB- 6.00 (# 1845:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 789, 790,
igr2= 795, 796,
&end
#
# 45 PRO HG- 45 PRO HB- 2.80 (# 1847:20 Unique 2.31, 2.56 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 792, 793,
igr2= 795, 796,
&end
#
# 73 LEU MDY 45 PRO HB+ 6.00 (# 1849:20 Unique 4.06, 7.92 A)
&rst
ixpk= 1849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 795, 796,
&end
#
# 46 VAL HN 45 PRO HG+ 8.00 (# 1850:20 Unique 3.95, 4.99 A)
&rst
ixpk= 1850, nxpk= 20, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:1854 0 AMB 20-1:1854 8.00 (# 1854:20 Double Ambig)
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=2051,2052, 11, 12,
igr2= 25, 26, 25, 26,
&end
#
# 0 AMB 20-2:1855 0 AMB 20-1:1855 2.80 (# 1855:20 Double Ambig)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 795, 796, 795, 796,
igr2= 792, 793, 825,
&end
#
# 45 PRO HB+ 45 PRO HG+ 3.50 (# 1856:20 Unique 2.31, 2.56 A)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 795, 796,
igr2= 792, 793,
&end
#
# 44 LEU HB+ 45 PRO HG+ 6.00 (# 1859:20 Unique 3.80, 5.37 A)
&rst
ixpk= 1859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 773, 774,
igr2= 792, 793,
&end
#
# 73 LEU HB- 45 PRO HG+ 6.00 (# 1860:20 Unique 2.76, 6.94 A)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1289,1290,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:1861 0 AMB 20-1:1861 6.00 (# 1861:20 Double Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1253,1254,1289,1290,
igr2= 825, 792, 793,
&end
#
# 0 AMB 20-2:1862 0 AMB 20-1:1862 3.50 (# 1862:20 Double Ambig)
&rst
ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1258,1259,1260,1262,1263,1264,1294,1295,1296,1298,
1299,1300,
igr2= 825, 792, 793,
&end
#
# 115 SER HB+ 45 PRO HD- 8.00 (# 1868:20 Unique 6.40, 7.73 A)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1931,1932,
igr2= 789, 790,
&end
#
# 45 PRO HB+ 45 PRO HD+ 6.00 (# 1869:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 795, 796,
igr2= 789, 790,
&end
#
# 45 PRO HB+ 45 PRO HD- 6.00 (# 1870:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 795, 796,
igr2= 789, 790,
&end
#
# 45 PRO HG- 45 PRO HD+ 4.50 (# 1871:20 Unique 2.31, 2.57 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 792, 793,
igr2= 789, 790,
&end
#
# 44 LEU HB- 45 PRO HD+ 6.00 (# 1872:20 Unique 2.00, 3.78 A)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 773, 774,
igr2= 789, 790,
&end
#
# 44 LEU HB+ 45 PRO HD+ 6.00 (# 1873:20 Unique 2.00, 3.78 A)
&rst
ixpk= 1873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 773, 774,
igr2= 789, 790,
&end
#
# 73 LEU MDX 45 PRO HD- 8.00 (# 1880:20 Unique 1.52, 5.94 A)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 789, 790,
&end
#
# 0 AMB 20-2:1883 116 GLN HA 2.80 (# 1883:20 Single Ambig)
&rst
ixpk= 1883, nxpk= 20, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1945,1946,1942,1943,
&end
#
# 0 AMB 20-2:1884 47 LEU HA 2.80 (# 1884:20 Single Ambig)
&rst
ixpk= 1884, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 825, 822, 823,
&end
#
# 71 LEU MDY 47 LEU HA 6.00 (# 1885:20 Unique 4.44, 6.93 A)
&rst
ixpk= 1885, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1258,1259,1260,1262,1263,1264,
&end
#
# 48 ASP HN 47 LEU HB+ 6.00 (# 1886:20 Unique 1.77, 3.04 A)
&rst
ixpk= 1886, nxpk= 20, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 822, 823,
&end
#
# 48 ASP HN 47 LEU HB- 6.00 (# 1887:20 Unique 1.77, 3.04 A)
&rst
ixpk= 1887, nxpk= 20, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 822, 823,
&end
#
# 47 LEU HN 47 LEU HB+ 6.00 (# 1888:20 Unique 2.05, 2.93 A)
&rst
ixpk= 1888, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 822, 823,
&end
#
# 47 LEU HN 47 LEU HB- 6.00 (# 1889:20 Unique 2.05, 2.93 A)
&rst
ixpk= 1889, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 822, 823,
&end
#
# 49 LYS HN 47 LEU HB+ 6.00 (# 1890:20 Unique 2.44, 4.64 A)
&rst
ixpk= 1890, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 822, 823,
&end
#
# 49 LYS HN 47 LEU HB- 6.00 (# 1891:20 Unique 2.44, 4.64 A)
&rst
ixpk= 1891, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 822, 823,
&end
#
# 47 LEU HA 47 LEU HB- 6.00 (# 1893:20 Unique 2.29, 2.67 A)
&rst
ixpk= 1893, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 822, 823,
&end
#
# 0 AMB 20-2:1896 0 AMB 20-1:1896 3.50 (# 1896:20 Double Ambig)
&rst
ixpk= 1896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
igr2= 822, 823, 822, 823,
&end
#
# 0 AMB 20-2:1897 47 LEU HB- 3.50 (# 1897:20 Single Ambig)
&rst
ixpk= 1897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
igr2= 822, 823,
&end
#
# 71 LEU MDY 47 LEU HB+ 6.00 (# 1898:20 Unique 1.88, 4.97 A)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1258,1259,1260,1262,1263,1264,
igr2= 822, 823,
&end
#
# 71 LEU MDY 47 LEU HB- 6.00 (# 1899:20 Unique 1.88, 4.97 A)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1258,1259,1260,1262,1263,1264,
igr2= 822, 823,
&end
#
# 72 GLN HN 47 LEU HG 8.00 (# 1900:20 Unique 2.60, 5.09 A)
&rst
ixpk= 1900, nxpk= 20, iat=1268, 825, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 77 GLN HE2- 45 PRO HG- 6.00 (# 1901:20 Unique 2.24, 6.20 A)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1354,1355,
igr2= 792, 793,
&end
#
# 71 LEU MDX 47 LEU HG 8.00 (# 1903:20 Unique 1.68, 5.08 A)
&rst
ixpk= 1903, nxpk= 20, iat= -1, 825, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:1909 0 AMB 20-1:1909 2.80 (# 1909:20 Double Ambig)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 822, 823, 822, 823, 792, 793, 825, 795, 796,
igr2= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
&end
#
# 48 ASP HN 48 ASP HA 3.50 (# 1912:20 Unique 2.75, 2.85 A)
&rst
ixpk= 1912, nxpk= 20, iat= 837, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HN 48 ASP HA 6.00 (# 1913:20 Unique 2.16, 2.67 A)
&rst
ixpk= 1913, nxpk= 20, iat= 849, 839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1915 48 ASP HA 6.00 (# 1915:20 Single Ambig)
&rst
ixpk= 1915, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 25, 26, 8, 9,2054,2055, 822, 823, 825,
&end
#
# 0 AMB 20-2:1916 48 ASP HA 6.00 (# 1916:20 Single Ambig)
&rst
ixpk= 1916, nxpk= 20, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 808, 809, 810, 812, 813, 814, 808, 809, 810, 812,
813, 814,
&end
#
# 49 LYS HN 48 ASP HB+ 6.00 (# 1917:20 Unique 1.90, 4.12 A)
&rst
ixpk= 1917, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 841, 842,
&end
#
# 49 LYS HN 49 LYS HA 6.00 (# 1920:20 Unique 2.79, 2.85 A)
&rst
ixpk= 1920, nxpk= 20, iat= 849, 851, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1921 49 LYS HA 8.00 (# 1921:20 Single Ambig)
&rst
ixpk= 1921, nxpk= 20, iat= -1, 851, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 862, 863, 841, 842,
&end
#
# 49 LYS HD+ 49 LYS HA 6.00 (# 1922:20 Unique 2.35, 4.39 A)
&rst
ixpk= 1922, nxpk= 20, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 859, 860,
&end
#
# 0 AMB 20-2:1923 49 LYS HA 6.00 (# 1923:20 Single Ambig)
&rst
ixpk= 1923, nxpk= 20, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 853, 854, 859, 860,
&end
#
# 0 AMB 20-2:1924 49 LYS HA 6.00 (# 1924:20 Single Ambig)
&rst
ixpk= 1924, nxpk= 20, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 856, 857, 856, 857,
&end
#
# 50 THR HN 49 LYS HB+ 6.00 (# 1925:20 Unique 1.66, 4.00 A)
&rst
ixpk= 1925, nxpk= 20, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 853, 854,
&end
#
# 50 THR HN 49 LYS HB- 6.00 (# 1926:20 Unique 1.66, 4.00 A)
&rst
ixpk= 1926, nxpk= 20, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 853, 854,
&end
#
# 49 LYS HN 49 LYS HB+ 6.00 (# 1927:20 Unique 2.42, 3.18 A)
&rst
ixpk= 1927, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 853, 854,
&end
#
# 49 LYS HN 49 LYS HB- 6.00 (# 1928:20 Unique 2.42, 3.18 A)
&rst
ixpk= 1928, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:1931 0 AMB 20-1:1931 6.00 (# 1931:20 Double Ambig)
&rst
ixpk= 1931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 862, 863, 862, 863,
igr2= 853, 854, 853, 854,
&end
#
# 0 AMB 20-2:1932 49 LYS HB- 6.00 (# 1932:20 Single Ambig)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 862, 863, 862, 863,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:1933 0 AMB 20-1:1933 6.00 (# 1933:20 Double Ambig)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 825,2160, 25, 26,
igr2= 853, 854, 853, 854, 853, 854,
&end
#
# 2 PRO HB- 49 LYS HB+ 6.00 (# 1934:20 Unique 4.51, 6.02 A)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 28, 29,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:1935 49 LYS HB- 8.00 (# 1935:20 Single Ambig)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1229,1230,1229,1230,
igr2= 853, 854,
&end
#
# 123 GLU HG- 49 LYS HB- 8.00 (# 1936:20 Unique 1.92, 3.76 A)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=2054,2055,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:1937 0 AMB 20-1:1937 4.50 (# 1937:20 Double Ambig)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1232,1233, 617, 618,
igr2= 853, 854, 853, 854,
&end
#
# 0 AMB 20-2:1938 49 LYS HB- 6.00 (# 1938:20 Single Ambig)
&rst
ixpk= 1938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1232,1233, 617, 618,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:1940 0 AMB 20-1:1940 2.80 (# 1940:20 Double Ambig)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 856, 857, 856, 857,
igr2= 853, 854, 853, 854,
&end
#
# 0 AMB 20-2:1941 49 LYS HB- 2.80 (# 1941:20 Single Ambig)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 856, 857, 856, 857,
igr2= 853, 854,
&end
#
# 44 LEU HN 44 LEU MDY 6.00 (# 1943:20 Unique 1.82, 4.09 A)
&rst
ixpk= 1943, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1944 44 LEU MDY 8.00 (# 1944:20 Single Ambig)
&rst
ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1389,1917,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 77 GLN HE2+ 44 LEU MDY 6.00 (# 1945:20 Unique 1.88, 5.64 A)
&rst
ixpk= 1945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1354,1355,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 50 THR HN 0 AMB 20-1:1946 8.00 (# 1946:20 Single Ambig)
&rst
ixpk= 1946, nxpk= 20, iat= 871, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 856, 857, 856, 857,
&end
#
# 77 GLN HE2- 44 LEU MDY 6.00 (# 1947:20 Unique 1.88, 5.64 A)
&rst
ixpk= 1947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1354,1355,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 52 PHE HD 0 AMB 20-1:1948 6.00 (# 1948:20 Single Ambig)
&rst
ixpk= 1948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 915, 923,
igr2= 856, 857, 856, 857,
&end
#
# 79 PHE HD 44 LEU MDY 4.50 (# 1949:20 Unique 2.53, 6.71 A)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1377,1385,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 113 TYR HE 44 LEU MDY 6.00 (# 1950:20 Unique 1.54, 5.44 A)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1906,1911,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1951 44 LEU MDY 3.50 (# 1951:20 Single Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1919, 771,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 115 SER HB+ 44 LEU MDY 6.00 (# 1952:20 Unique 1.63, 3.94 A)
&rst
ixpk= 1952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1931,1932,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 45 PRO HD+ 44 LEU MDY 4.50 (# 1953:20 Unique 2.84, 5.39 A)
&rst
ixpk= 1953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 789, 790,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 115 SER HB- 44 LEU MDY 6.00 (# 1954:20 Unique 1.63, 3.94 A)
&rst
ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1931,1932,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 45 PRO HD- 44 LEU MDY 6.00 (# 1957:20 Unique 2.84, 5.39 A)
&rst
ixpk= 1957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 789, 790,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 77 GLN HG- 44 LEU MDY 4.50 (# 1958:20 Unique 2.62, 5.92 A)
&rst
ixpk= 1958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1349,1350,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1959 0 AMB 20-1:1959 2.80 (# 1959:20 Double Ambig)
&rst
ixpk= 1959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2054,2055,2054,2055, 776,
igr2= 856, 857, 856, 857, 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1960 44 LEU MDY 2.80 (# 1960:20 Single Ambig)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 773, 774, 645, 646,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 20-2:1961 0 AMB 20-1:1961 2.80 (# 1961:20 Double Ambig)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 859, 860, 859, 860,
igr2= 856, 857, 856, 857,
&end
#
# 49 LYS HD- 0 AMB 20-1:1962 2.80 (# 1962:20 Single Ambig)
&rst
ixpk= 1962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 859, 860,
igr2= 856, 857, 856, 857,
&end
#
# 49 LYS HB- 0 AMB 20-1:1963 2.80 (# 1963:20 Single Ambig)
&rst
ixpk= 1963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 853, 854,
igr2= 856, 857, 856, 857,
&end
#
# 73 LEU MDY 44 LEU MDY 2.80 (# 1964:20 Unique 1.28, 5.54 A)
&rst
ixpk= 1964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 73 LEU MDX 44 LEU MDY 4.50 (# 1965:20 Unique 1.28, 5.54 A)
&rst
ixpk= 1965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 71 LEU MDX 0 AMB 20-1:1966 6.00 (# 1966:20 Single Ambig)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1258,1259,1260,1262,1263,1264,
igr2= 856, 857, 856, 857,
&end
#
# 70 ARG HN 49 LYS HD+ 6.00 (# 1968:20 Unique 4.27, 6.27 A)
&rst
ixpk= 1968, nxpk= 20, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 859, 860,
&end
#
# 49 LYS HA 49 LYS HD- 6.00 (# 1970:20 Unique 2.35, 4.39 A)
&rst
ixpk= 1970, nxpk= 20, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 859, 860,
&end
#
# 0 AMB 20-2:1974 0 AMB 20-1:1974 3.50 (# 1974:20 Double Ambig)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 862, 863, 862, 863,
igr2= 859, 860, 859, 860,
&end
#
# 0 AMB 20-2:1975 49 LYS HD- 4.50 (# 1975:20 Single Ambig)
&rst
ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 862, 863, 862, 863,
igr2= 859, 860,
&end
#
# 0 AMB 20-2:1978 0 AMB 20-1:1978 4.50 (# 1978:20 Double Ambig)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 856, 857, 856, 857,
igr2= 859, 860, 859, 860,
&end
#
# 0 AMB 20-2:1979 49 LYS HD- 3.50 (# 1979:20 Single Ambig)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 856, 857, 856, 857,
igr2= 859, 860,
&end
#
# 0 AMB 20-2:1980 0 AMB 20-1:1980 4.50 (# 1980:20 Double Ambig)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
igr2= 859, 860, 859, 860,
&end
#
# 0 AMB 20-2:1981 0 AMB 20-1:1981 6.00 (# 1981:20 Double Ambig)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 63, 851,
igr2= 74, 75, 74, 75, 862, 863,
&end
#
# 66 ILE HA 0 AMB 20-1:1982 6.00 (# 1982:20 Single Ambig)
&rst
ixpk= 1982, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1130,1131,1130,1131,
&end
#
# 0 AMB 20-2:1984 0 AMB 20-1:1984 3.50 (# 1984:20 Double Ambig)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1229,1230,1229,1230,2240,2241,
igr2= 862, 863, 862, 863, 530, 531, 530, 531,
&end
#
# 0 AMB 20-2:1985 0 AMB 20-1:1985 2.80 (# 1985:20 Double Ambig)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 859, 860, 859, 860,2179,
igr2= 862, 863, 862, 863, 862, 863,
&end
#
# 49 LYS HD- 49 LYS HE+ 2.80 (# 1986:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 859, 860,
igr2= 862, 863,
&end
#
# 0 AMB 20-2:1987 0 AMB 20-1:1987 4.50 (# 1987:20 Double Ambig)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,1145,1146,1147,
igr2= 862, 863, 862, 863,1130,1131,
&end
#
# 51 LYS HN 50 THR HB 6.00 (# 1990:20 Unique 1.85, 3.04 A)
&rst
ixpk= 1990, nxpk= 20, iat= 885, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:1991 50 THR HB 6.00 (# 1991:20 Single Ambig)
&rst
ixpk= 1991, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 6, 628,
&end
#
# 50 THR HA 50 THR HB 6.00 (# 1992:20 Unique 2.89, 2.97 A)
&rst
ixpk= 1992, nxpk= 20, iat= 873, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 LYS HG+ 50 THR HB 6.00 (# 1993:20 Unique 2.26, 4.10 A)
&rst
ixpk= 1993, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 892, 893,
&end
#
# 34 ILE QG2 50 THR HB 6.00 (# 1994:20 Unique 4.11, 5.89 A)
&rst
ixpk= 1994, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 594, 595, 596,
&end
#
# 11 ARG HG+ 50 THR HB 8.00 (# 1995:20 Unique 5.25, 7.99 A)
&rst
ixpk= 1995, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 187, 188,
&end
#
# 35 ILE HN 50 THR MG2 6.00 (# 1997:20 Unique 3.35, 5.50 A)
&rst
ixpk= 1997, nxpk= 20, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 877, 878, 879,
&end
#
# 0 AMB 20-2:1998 50 THR MG2 6.00 (# 1998:20 Single Ambig)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 871, 818,
igr2= 877, 878, 879,
&end
#
# 0 AMB 20-2:2001 50 THR MG2 6.00 (# 2001:20 Single Ambig)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 105, 113, 885,
igr2= 877, 878, 879,
&end
#
# 50 THR HA 50 THR MG2 4.50 (# 2002:20 Unique 2.35, 2.96 A)
&rst
ixpk= 2002, nxpk= 20, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 877, 878, 879,
&end
#
# 7 PHE HB+ 50 THR MG2 6.00 (# 2003:20 Unique 1.73, 3.20 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 101, 102,
igr2= 877, 878, 879,
&end
#
# 0 AMB 20-2:2005 50 THR MG2 4.50 (# 2005:20 Single Ambig)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 633, 634, 633, 634,
igr2= 877, 878, 879,
&end
#
# 34 ILE QG2 50 THR MG2 6.00 (# 2006:20 Unique 2.79, 5.39 A)
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 594, 595, 596,
igr2= 877, 878, 879,
&end
#
# 52 PHE HN 51 LYS HA 6.00 (# 2008:20 Unique 2.13, 2.31 A)
&rst
ixpk= 2008, nxpk= 20, iat= 907, 887, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE QD1 51 LYS HA 8.00 (# 2009:20 Unique 3.67, 6.18 A)
&rst
ixpk= 2009, nxpk= 20, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 601, 602, 603,
&end
#
# 52 PHE HN 51 LYS HB+ 8.00 (# 2010:20 Unique 2.28, 3.34 A)
&rst
ixpk= 2010, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 889, 890,
&end
#
# 51 LYS HN 51 LYS HB+ 6.00 (# 2011:20 Unique 2.10, 3.26 A)
&rst
ixpk= 2011, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 889, 890,
&end
#
# 51 LYS HN 51 LYS HB- 8.00 (# 2012:20 Unique 2.10, 3.26 A)
&rst
ixpk= 2012, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 889, 890,
&end
#
# 129 TYR HE 51 LYS HB- 8.00 (# 2013:20 Unique 4.37, 7.19 A)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=2130,2135,
igr2= 889, 890,
&end
#
# 129 TYR HH 51 LYS HB+ 8.00 (# 2014:20 Unique 4.67, 6.90 A)
&rst
ixpk= 2014, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 889, 890,
&end
#
# 51 LYS HA 51 LYS HB+ 6.00 (# 2015:20 Unique 2.21, 2.70 A)
&rst
ixpk= 2015, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 889, 890,
&end
#
# 51 LYS HA 51 LYS HB- 6.00 (# 2016:20 Unique 2.21, 2.70 A)
&rst
ixpk= 2016, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 889, 890,
&end
#
# 51 LYS HD+ 51 LYS HB- 6.00 (# 2019:20 Unique 2.02, 3.48 A)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 895, 896,
igr2= 889, 890,
&end
#
# 51 LYS HG- 51 LYS HB+ 6.00 (# 2021:20 Unique 2.22, 2.61 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 892, 893,
igr2= 889, 890,
&end
#
# 51 LYS HG- 51 LYS HB- 6.00 (# 2022:20 Unique 2.22, 2.61 A)
&rst
ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 892, 893,
igr2= 889, 890,
&end
#
# 34 ILE QD1 51 LYS HB+ 8.00 (# 2023:20 Unique 2.19, 6.36 A)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 601, 602, 603,
igr2= 889, 890,
&end
#
# 34 ILE QD1 51 LYS HB- 8.00 (# 2024:20 Unique 2.19, 6.36 A)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 601, 602, 603,
igr2= 889, 890,
&end
#
# 51 LYS HN 51 LYS HG- 8.00 (# 2025:20 Unique 1.84, 3.76 A)
&rst
ixpk= 2025, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 892, 893,
&end
#
# 51 LYS HA 51 LYS HG- 6.00 (# 2026:20 Unique 2.12, 3.23 A)
&rst
ixpk= 2026, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 892, 893,
&end
#
# 51 LYS HD+ 51 LYS HG- 6.00 (# 2028:20 Unique 2.22, 2.62 A)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 895, 896,
igr2= 892, 893,
&end
#
# 0 AMB 20-2:2029 51 LYS HG- 4.50 (# 2029:20 Single Ambig)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 877, 878, 879, 895, 896, 889, 890,
igr2= 892, 893,
&end
#
# 34 ILE QD1 51 LYS HG- 6.00 (# 2031:20 Unique 1.84, 5.77 A)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 601, 602, 603,
igr2= 892, 893,
&end
#
# 0 AMB 20-2:2032 0 AMB 20-1:2032 6.00 (# 2032:20 Double Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 180, 139,
igr2= 895, 896, 895, 896,
&end
#
# 7 PHE HE 51 LYS HD+ 6.00 (# 2033:20 Unique 3.15, 6.25 A)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 107, 111,
igr2= 895, 896,
&end
#
# 7 PHE HE 51 LYS HD- 6.00 (# 2034:20 Unique 3.15, 6.25 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 107, 111,
igr2= 895, 896,
&end
#
# 0 AMB 20-2:2036 0 AMB 20-1:2036 6.00 (# 2036:20 Double Ambig)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 628, 948,
igr2= 895, 896,1622,1623,
&end
#
# 50 THR HA 51 LYS HD+ 8.00 (# 2038:20 Unique 3.67, 4.94 A)
&rst
ixpk= 2038, nxpk= 20, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 895, 896,
&end
#
# 51 LYS HA 51 LYS HD- 8.00 (# 2039:20 Unique 1.94, 3.43 A)
&rst
ixpk= 2039, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 895, 896,
&end
#
# 0 AMB 20-2:2040 51 LYS HD- 8.00 (# 2040:20 Single Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=2066,2067, 85,
igr2= 895, 896,
&end
#
# 95 ILE HA 95 ILE HG1- 4.50 (# 2041:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2041, nxpk= 20, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1622,1623,
&end
#
# 95 ILE HA 95 ILE HG1+ 6.00 (# 2042:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2042, nxpk= 20, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1622,1623,
&end
#
# 123 GLU HB- 51 LYS HD- 8.00 (# 2043:20 Unique 5.68, 7.92 A)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=2051,2052,
igr2= 895, 896,
&end
#
# 98 VAL HB 95 ILE HG1- 6.00 (# 2044:20 Unique 2.56, 3.09 A)
&rst
ixpk= 2044, nxpk= 20, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1622,1623,
&end
#
# 98 VAL HB 95 ILE HG1+ 6.00 (# 2045:20 Unique 2.56, 3.09 A)
&rst
ixpk= 2045, nxpk= 20, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:2048 0 AMB 20-1:2048 2.80 (# 2048:20 Double Ambig)
&rst
ixpk= 2048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 892, 893,1618,1619,1620, 578, 579, 580, 582, 583,
584, 578, 579, 580, 582, 583, 584,
igr2= 895, 896,1622,1623,
&end
#
# 0 AMB 20-2:2049 0 AMB 20-1:2049 2.80 (# 2049:20 Double Ambig)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 892, 893,1618,1619,1620, 578, 579, 580, 582, 583,
584, 578, 579, 580, 582, 583, 584,
igr2= 895, 896,1622,1623,1622,1623,1622,1623,
&end
#
# 0 AMB 20-2:2050 95 ILE HG1- 3.50 (# 2050:20 Single Ambig)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1625,1626,1627,1088,1089,1090,1092,1093,1094,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:2051 0 AMB 20-1:2051 3.50 (# 2051:20 Double Ambig)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1625,1626,1627,1088,1089,1090,1092,1093,1094,
igr2=1622,1623,1622,1623,
&end
#
# 0 AMB 20-2:2052 0 AMB 20-1:2052 6.00 (# 2052:20 Double Ambig)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 892, 893, 545, 546, 547,
igr2= 895, 896,1622,1623,
&end
#
# 34 ILE HG1- 51 LYS HD- 6.00 (# 2053:20 Unique 1.93, 4.83 A)
&rst
ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 598, 599,
igr2= 895, 896,
&end
#
# 31 ILE QG2 95 ILE HG1+ 4.50 (# 2054:20 Unique 2.38, 4.90 A)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 545, 546, 547,
igr2=1622,1623,
&end
#
# 34 ILE HA 51 LYS HE+ 6.00 (# 2059:20 Unique 2.13, 4.88 A)
&rst
ixpk= 2059, nxpk= 20, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 898, 899,
&end
#
# 34 ILE HA 51 LYS HE- 6.00 (# 2060:20 Unique 2.13, 4.88 A)
&rst
ixpk= 2060, nxpk= 20, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 898, 899,
&end
#
# 51 LYS HA 51 LYS HE- 8.00 (# 2061:20 Unique 2.20, 4.64 A)
&rst
ixpk= 2061, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 898, 899,
&end
#
# 0 AMB 20-2:2066 0 AMB 20-1:2066 6.00 (# 2066:20 Double Ambig)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 895, 896, 184, 185,
igr2= 898, 899, 898, 899,
&end
#
# 0 AMB 20-2:2067 51 LYS HE- 6.00 (# 2067:20 Single Ambig)
&rst
ixpk= 2067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 895, 896, 184, 185,
igr2= 898, 899,
&end
#
# 0 AMB 20-2:2068 51 LYS HE- 6.00 (# 2068:20 Single Ambig)
&rst
ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 889, 890, 895, 896, 187, 188,
igr2= 898, 899,
&end
#
# 0 AMB 20-2:2069 0 AMB 20-1:2069 4.50 (# 2069:20 Double Ambig)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 889, 890, 895, 896, 187, 188,
igr2= 898, 899, 898, 899, 898, 899,
&end
#
# 0 AMB 20-2:2071 51 LYS HE- 6.00 (# 2071:20 Single Ambig)
&rst
ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 892, 893, 184, 185,
igr2= 898, 899,
&end
#
# 51 LYS HG- 51 LYS HE+ 8.00 (# 2072:20 Unique 1.99, 3.29 A)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 892, 893,
igr2= 898, 899,
&end
#
# 52 PHE HN 52 PHE HA 6.00 (# 2074:20 Unique 2.91, 2.94 A)
&rst
ixpk= 2074, nxpk= 20, iat= 907, 909, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 LEU HN 52 PHE HA 3.50 (# 2075:20 Unique 2.15, 2.24 A)
&rst
ixpk= 2075, nxpk= 20, iat= 927, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 SER HN 52 PHE HA 8.00 (# 2076:20 Unique 4.74, 4.99 A)
&rst
ixpk= 2076, nxpk= 20, iat=2062, 909, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 52 PHE HD 52 PHE HA 6.00 (# 2077:20 Unique 2.25, 3.98 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 915, 923,
&end
#
# 0 AMB 20-2:2078 52 PHE HA 6.00 (# 2078:20 Single Ambig)
&rst
ixpk= 2078, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 887, 851,
&end
#
# 52 PHE HB+ 52 PHE HA 4.50 (# 2079:20 Unique 2.22, 2.51 A)
&rst
ixpk= 2079, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 911, 912,
&end
#
# 0 AMB 20-2:2081 52 PHE HA 6.00 (# 2081:20 Single Ambig)
&rst
ixpk= 2081, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2176,2177, 617, 618,
&end
#
# 131 VAL MGY 52 PHE HA 6.00 (# 2082:20 Unique 1.53, 2.93 A)
&rst
ixpk= 2082, nxpk= 20, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2162,2163,2164,2166,2167,2168,
&end
#
# 52 PHE HN 52 PHE HB+ 6.00 (# 2083:20 Unique 2.59, 3.37 A)
&rst
ixpk= 2083, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 911, 912,
&end
#
# 52 PHE HN 52 PHE HB- 6.00 (# 2084:20 Unique 2.59, 3.37 A)
&rst
ixpk= 2084, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 911, 912,
&end
#
# 53 LEU HN 52 PHE HB+ 6.00 (# 2085:20 Unique 2.33, 3.62 A)
&rst
ixpk= 2085, nxpk= 20, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 911, 912,
&end
#
# 53 LEU HN 52 PHE HB- 6.00 (# 2086:20 Unique 2.33, 3.62 A)
&rst
ixpk= 2086, nxpk= 20, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 911, 912,
&end
#
# 52 PHE HD 52 PHE HB+ 4.50 (# 2087:20 Unique 2.30, 3.04 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 915, 923,
igr2= 911, 912,
&end
#
# 52 PHE HA 52 PHE HB+ 6.00 (# 2089:20 Unique 2.22, 2.51 A)
&rst
ixpk= 2089, nxpk= 20, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 911, 912,
&end
#
# 52 PHE HA 52 PHE HB- 6.00 (# 2090:20 Unique 2.22, 2.51 A)
&rst
ixpk= 2090, nxpk= 20, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 911, 912,
&end
#
# 33 VAL HB 52 PHE HB+ 6.00 (# 2093:20 Unique 1.79, 4.55 A)
&rst
ixpk= 2093, nxpk= 20, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 911, 912,
&end
#
# 33 VAL HB 52 PHE HB- 6.00 (# 2094:20 Unique 1.79, 4.55 A)
&rst
ixpk= 2094, nxpk= 20, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 911, 912,
&end
#
# 0 AMB 20-2:2095 52 PHE HB- 6.00 (# 2095:20 Single Ambig)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2176,2177, 617, 618,
igr2= 911, 912,
&end
#
# 35 ILE QD1 52 PHE HB+ 8.00 (# 2097:20 Unique 3.29, 5.57 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 620, 621, 622,
igr2= 911, 912,
&end
#
# 35 ILE QD1 52 PHE HB- 8.00 (# 2098:20 Unique 3.29, 5.57 A)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 620, 621, 622,
igr2= 911, 912,
&end
#
# 33 VAL HN 53 LEU HA 6.00 (# 2099:20 Unique 2.53, 2.86 A)
&rst
ixpk= 2099, nxpk= 20, iat= 572, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 VAL HN 53 LEU HA 3.50 (# 2100:20 Unique 2.13, 2.28 A)
&rst
ixpk= 2100, nxpk= 20, iat= 946, 929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LEU HN 53 LEU HA 6.00 (# 2101:20 Unique 2.90, 2.96 A)
&rst
ixpk= 2101, nxpk= 20, iat= 927, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HB+ 53 LEU HA 6.00 (# 2102:20 Unique 5.03, 6.51 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 521, 522,
&end
#
# 53 LEU HB+ 53 LEU HA 6.00 (# 2103:20 Unique 2.23, 2.77 A)
&rst
ixpk= 2103, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 931, 932,
&end
#
# 53 LEU HG 53 LEU HA 6.00 (# 2104:20 Unique 2.13, 2.42 A)
&rst
ixpk= 2104, nxpk= 20, iat= 934, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2105 53 LEU HA 4.50 (# 2105:20 Single Ambig)
&rst
ixpk= 2105, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 578, 579, 580, 582, 583, 584, 931, 932,
&end
#
# 53 LEU MDY 53 LEU HA 4.50 (# 2106:20 Unique 2.42, 4.10 A)
&rst
ixpk= 2106, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 936, 937, 938, 940, 941, 942,
&end
#
# 53 LEU MDX 53 LEU HA 6.00 (# 2107:20 Unique 2.42, 4.10 A)
&rst
ixpk= 2107, nxpk= 20, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 936, 937, 938, 940, 941, 942,
&end
#
# 53 LEU HN 53 LEU HB+ 6.00 (# 2108:20 Unique 2.32, 3.10 A)
&rst
ixpk= 2108, nxpk= 20, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 931, 932,
&end
#
# 54 VAL HN 53 LEU HB- 8.00 (# 2109:20 Unique 2.49, 3.50 A)
&rst
ixpk= 2109, nxpk= 20, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 931, 932,
&end
#
# 53 LEU HN 53 LEU HB- 6.00 (# 2110:20 Unique 2.32, 3.10 A)
&rst
ixpk= 2110, nxpk= 20, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 931, 932,
&end
#
# 53 LEU HA 53 LEU HB+ 6.00 (# 2111:20 Unique 2.23, 2.77 A)
&rst
ixpk= 2111, nxpk= 20, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 931, 932,
&end
#
# 53 LEU HA 53 LEU HB- 6.00 (# 2112:20 Unique 2.23, 2.77 A)
&rst
ixpk= 2112, nxpk= 20, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 931, 932,
&end
#
# 55 PRO HD+ 53 LEU HB+ 6.00 (# 2116:20 Unique 4.88, 6.29 A)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 963, 964,
igr2= 931, 932,
&end
#
# 30 LYS HB+ 53 LEU HB+ 6.00 (# 2117:20 Unique 3.75, 5.61 A)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 521, 522,
igr2= 931, 932,
&end
#
# 53 LEU HG 53 LEU HB+ 6.00 (# 2118:20 Unique 2.45, 2.81 A)
&rst
ixpk= 2118, nxpk= 20, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 931, 932,
&end
#
# 53 LEU HG 53 LEU HB- 4.50 (# 2121:20 Unique 2.45, 2.81 A)
&rst
ixpk= 2121, nxpk= 20, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 931, 932,
&end
#
# 23 ILE QD1 53 LEU HB+ 6.00 (# 2122:20 Unique 4.40, 6.19 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 409, 410, 411,
igr2= 931, 932,
&end
#
# 53 LEU MDY 53 LEU HB+ 6.00 (# 2123:20 Unique 2.32, 3.22 A)
&rst
ixpk= 2123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 931, 932,
&end
#
# 53 LEU MDY 53 LEU HB- 6.00 (# 2124:20 Unique 2.32, 3.22 A)
&rst
ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 931, 932,
&end
#
# 53 LEU MDX 53 LEU HB- 6.00 (# 2125:20 Unique 2.32, 3.22 A)
&rst
ixpk= 2125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 931, 932,
&end
#
# 53 LEU MDX 53 LEU HB+ 6.00 (# 2126:20 Unique 2.32, 3.22 A)
&rst
ixpk= 2126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 931, 932,
&end
#
# 53 LEU HN 53 LEU HG 6.00 (# 2127:20 Unique 2.24, 3.72 A)
&rst
ixpk= 2127, nxpk= 20, iat= 927, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 ARG HN 11 ARG HG- 8.00 (# 2128:20 Unique 1.98, 3.17 A)
&rst
ixpk= 2128, nxpk= 20, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 187, 188,
&end
#
# 37 ARG HE 37 ARG HG- 6.00 (# 2129:20 Unique 2.14, 3.28 A)
&rst
ixpk= 2129, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 648, 649,
&end
#
# 53 LEU HA 53 LEU HG 8.00 (# 2130:20 Unique 2.13, 2.42 A)
&rst
ixpk= 2130, nxpk= 20, iat= 929, 934, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:2131 0 AMB 20-1:2131 6.00 (# 2131:20 Double Ambig)
&rst
ixpk= 2131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 732, 182,
igr2= 648, 649, 187, 188,
&end
#
# 0 AMB 20-2:2132 11 ARG HG- 3.50 (# 2132:20 Single Ambig)
&rst
ixpk= 2132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 190, 191, 190, 191,
igr2= 187, 188,
&end
#
# 0 AMB 20-2:2134 0 AMB 20-1:2134 4.50 (# 2134:20 Double Ambig)
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
igr1= 184, 185, 578, 579, 580, 582, 583, 584, 578, 579,
580, 582, 583, 584, 808, 809, 810, 812, 813, 814,
igr2= 187, 188, 934, 648, 649,
&end
#
# 53 LEU MDY 53 LEU HG 6.00 (# 2135:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2135, nxpk= 20, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 936, 937, 938, 940, 941, 942,
&end
#
# 53 LEU MDX 53 LEU HG 6.00 (# 2136:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2136, nxpk= 20, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 936, 937, 938, 940, 941, 942,
&end
#
# 129 TYR HE 53 LEU MDX 6.00 (# 2139:20 Unique 1.55, 4.79 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2130,2135,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 27 HIS HD2 53 LEU MDX 6.00 (# 2140:20 Unique 5.22, 7.34 A)
&rst
ixpk= 2140, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 53 LEU HA 53 LEU MDX 6.00 (# 2141:20 Unique 2.42, 4.10 A)
&rst
ixpk= 2141, nxpk= 20, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 32 PRO HB+ 53 LEU MDX 8.00 (# 2143:20 Unique 1.98, 4.90 A)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 565, 566,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 53 LEU HB+ 53 LEU MDX 4.50 (# 2144:20 Unique 2.32, 3.22 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 931, 932,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 0 AMB 20-2:2145 53 LEU MDX 3.50 (# 2145:20 Single Ambig)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 934, 889, 890,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 23 ILE QG2 53 LEU MDX 2.80 (# 2146:20 Unique 2.77, 5.49 A)
&rst
ixpk= 2146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 402, 403, 404,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 33 VAL HN 53 LEU MDY 6.00 (# 2147:20 Unique 2.39, 4.87 A)
&rst
ixpk= 2147, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 54 VAL HN 53 LEU MDY 6.00 (# 2148:20 Unique 2.25, 5.03 A)
&rst
ixpk= 2148, nxpk= 20, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 53 LEU HN 53 LEU MDY 8.00 (# 2149:20 Unique 3.25, 5.07 A)
&rst
ixpk= 2149, nxpk= 20, iat= 927, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 27 HIS HD2 53 LEU MDY 8.00 (# 2152:20 Unique 5.22, 7.34 A)
&rst
ixpk= 2152, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 53 LEU HA 53 LEU MDY 2.80 (# 2153:20 Unique 2.42, 4.10 A)
&rst
ixpk= 2153, nxpk= 20, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 23 ILE HA 53 LEU MDY 6.00 (# 2156:20 Unique 5.89, 7.86 A)
&rst
ixpk= 2156, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 32 PRO HG+ 53 LEU MDY 6.00 (# 2158:20 Unique 3.71, 6.44 A)
&rst
ixpk= 2158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 562, 563,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 32 PRO HB+ 53 LEU MDY 6.00 (# 2159:20 Unique 1.98, 4.90 A)
&rst
ixpk= 2159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 565, 566,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 32 PRO HB- 53 LEU MDY 6.00 (# 2160:20 Unique 1.98, 4.90 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 565, 566,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 30 LYS HB+ 53 LEU MDY 6.00 (# 2161:20 Unique 1.91, 5.47 A)
&rst
ixpk= 2161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 521, 522,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 53 LEU HB+ 53 LEU MDY 4.50 (# 2162:20 Unique 2.32, 3.22 A)
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 931, 932,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 0 AMB 20-2:2163 53 LEU MDY 2.80 (# 2163:20 Single Ambig)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 934, 889, 890,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 0 AMB 20-2:2164 53 LEU MDY 2.80 (# 2164:20 Single Ambig)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 931, 932, 402, 403, 404,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 23 ILE QD1 53 LEU MDY 4.50 (# 2165:20 Unique 2.34, 4.94 A)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 409, 410, 411,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 31 ILE HN 54 VAL HB 6.00 (# 2167:20 Unique 3.92, 4.26 A)
&rst
ixpk= 2167, nxpk= 20, iat= 539, 950, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 VAL HN 54 VAL HB 4.50 (# 2168:20 Unique 2.20, 2.56 A)
&rst
ixpk= 2168, nxpk= 20, iat= 946, 950, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HA 54 VAL HB 6.00 (# 2169:20 Unique 4.02, 4.13 A)
&rst
ixpk= 2169, nxpk= 20, iat= 929, 950, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2170 0 AMB 20-1:2170 4.50 (# 2170:20 Double Ambig)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 628, 948,
igr2= 630, 631, 950,
&end
#
# 0 AMB 20-2:2171 54 VAL HB 2.80 (# 2171:20 Single Ambig)
&rst
ixpk= 2171, nxpk= 20, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 543,1616,
&end
#
# 0 AMB 20-2:2172 0 AMB 20-1:2172 2.80 (# 2172:20 Double Ambig)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 952, 953, 954, 956, 957, 958,1886,1887,1888,1890,
1891,1892,
igr2= 950, 630, 631,
&end
#
# 0 AMB 20-2:2173 54 VAL HB 2.80 (# 2173:20 Single Ambig)
&rst
ixpk= 2173, nxpk= 20, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187,
&end
#
# 0 AMB 20-2:2174 54 VAL HB 4.50 (# 2174:20 Single Ambig)
&rst
ixpk= 2174, nxpk= 20, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1625,1626,1627,1088,1089,1090,1092,1093,1094,
&end
#
# 31 ILE QG2 54 VAL HB 8.00 (# 2175:20 Unique 3.87, 5.05 A)
&rst
ixpk= 2175, nxpk= 20, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 545, 546, 547,
&end
#
# 0 AMB 20-2:2176 54 VAL MGX 6.00 (# 2176:20 Single Ambig)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 946,1022,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 20-2:2177 54 VAL MGY 4.50 (# 2177:20 Single Ambig)
&rst
ixpk= 2177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 946,1022,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 98 VAL HN 83 VAL MGY 6.00 (# 2178:20 Unique 5.85, 7.68 A)
&rst
ixpk= 2178, nxpk= 20, iat=1657, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1453,1454,1455,1457,1458,1459,
&end
#
# 0 AMB 20-2:2179 54 VAL MGY 6.00 (# 2179:20 Single Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 929,1024,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 54 VAL HA 54 VAL MGY 4.50 (# 2180:20 Unique 2.34, 3.18 A)
&rst
ixpk= 2180, nxpk= 20, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 55 PRO HD- 54 VAL MGX 6.00 (# 2181:20 Unique 1.91, 3.75 A)
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 963, 964,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 56 ASP HB+ 54 VAL MGY 6.00 (# 2182:20 Unique 4.09, 6.94 A)
&rst
ixpk= 2182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 980, 981,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 20-2:2183 0 AMB 20-1:2183 2.80 (# 2183:20 Double Ambig)
&rst
ixpk= 2183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1520,1521,1520,1521,1520,1521,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 0 AMB 20-2:2184 0 AMB 20-1:2184 2.80 (# 2184:20 Double Ambig)
&rst
ixpk= 2184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1870,1871,1870,1871,1870,1871,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 0 AMB 20-2:2185 0 AMB 20-1:2185 2.80 (# 2185:20 Double Ambig)
&rst
ixpk= 2185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1884,1047,1048,1049, 630, 631,
igr2=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,1663,1664,1665,1667,1668,1669,
&end
#
# 54 VAL HB 54 VAL MGY 2.80 (# 2186:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2186, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 56 ASP HN 55 PRO HA 4.50 (# 2187:20 Unique 2.67, 2.78 A)
&rst
ixpk= 2187, nxpk= 20, iat= 976, 972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LYS HA 55 PRO HA 6.00 (# 2189:20 Unique 1.73, 2.25 A)
&rst
ixpk= 2189, nxpk= 20, iat= 519, 972, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 55 PRO HB+ 55 PRO HA 6.00 (# 2190:20 Unique 2.31, 2.52 A)
&rst
ixpk= 2190, nxpk= 20, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 969, 970,
&end
#
# 0 AMB 20-2:2191 55 PRO HA 8.00 (# 2191:20 Single Ambig)
&rst
ixpk= 2191, nxpk= 20, iat= -1, 972, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=2243,2244, 966, 967, 966, 967,
&end
#
# 136 GLU HB- 55 PRO HA 6.00 (# 2192:20 Unique 3.67, 5.47 A)
&rst
ixpk= 2192, nxpk= 20, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2240,2241,
&end
#
# 0 AMB 20-2:2193 55 PRO HA 6.00 (# 2193:20 Single Ambig)
&rst
ixpk= 2193, nxpk= 20, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 527, 528, 527, 528, 969, 970,
&end
#
# 0 AMB 20-2:2195 55 PRO HA 6.00 (# 2195:20 Single Ambig)
&rst
ixpk= 2195, nxpk= 20, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 549, 550, 931, 932,
&end
#
# 30 LYS HG- 55 PRO HA 6.00 (# 2196:20 Unique 1.97, 3.22 A)
&rst
ixpk= 2196, nxpk= 20, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 524, 525,
&end
#
# 55 PRO HA 55 PRO HB+ 6.00 (# 2199:20 Unique 2.31, 2.52 A)
&rst
ixpk= 2199, nxpk= 20, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 969, 970,
&end
#
# 55 PRO HD+ 55 PRO HB+ 6.00 (# 2200:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 963, 964,
igr2= 969, 970,
&end
#
# 55 PRO HD- 55 PRO HB+ 6.00 (# 2201:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 963, 964,
igr2= 969, 970,
&end
#
# 55 PRO HD- 55 PRO HB- 6.00 (# 2202:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 963, 964,
igr2= 969, 970,
&end
#
# 55 PRO HD+ 55 PRO HB- 6.00 (# 2203:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 963, 964,
igr2= 969, 970,
&end
#
# 55 PRO HA 55 PRO HB- 6.00 (# 2204:20 Unique 2.31, 2.52 A)
&rst
ixpk= 2204, nxpk= 20, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 969, 970,
&end
#
# 0 AMB 20-2:2206 55 PRO HB- 3.50 (# 2206:20 Single Ambig)
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2243,2244, 966, 967, 966, 967,
igr2= 969, 970,
&end
#
# 0 AMB 20-2:2210 0 AMB 20-1:2210 6.00 (# 2210:20 Double Ambig)
&rst
ixpk= 2210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 948, 990,
igr2= 966, 967, 966, 967,1602,1603, 966, 967,
&end
#
# 0 AMB 20-2:2211 0 AMB 20-1:2211 2.80 (# 2211:20 Double Ambig)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1599,1600, 963, 964,
igr2=1602,1603, 966, 967,
&end
#
# 0 AMB 20-2:2212 0 AMB 20-1:2212 3.50 (# 2212:20 Double Ambig)
&rst
ixpk= 2212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1599,1600, 963, 964,
igr2=1602,1603, 966, 967,
&end
#
# 94 PRO HD- 94 PRO HG+ 4.50 (# 2213:20 Unique 2.31, 2.57 A)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1599,1600,
igr2=1602,1603,
&end
#
# 94 PRO HD- 94 PRO HG- 3.50 (# 2214:20 Unique 2.31, 2.57 A)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1599,1600,
igr2=1602,1603,
&end
#
# 55 PRO HD- 55 PRO HG+ 6.00 (# 2215:20 Unique 2.31, 2.57 A)
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 963, 964,
igr2= 966, 967,
&end
#
# 55 PRO HB+ 55 PRO HG+ 4.50 (# 2216:20 Unique 2.31, 2.56 A)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 969, 970,
igr2= 966, 967,
&end
#
# 94 PRO HB+ 94 PRO HG- 3.50 (# 2217:20 Unique 2.31, 2.56 A)
&rst
ixpk= 2217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1605,1606,
igr2=1602,1603,
&end
#
# 136 GLU HB- 55 PRO HG+ 2.80 (# 2218:20 Unique 2.01, 3.40 A)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2240,2241,
igr2= 966, 967,
&end
#
# 0 AMB 20-2:2219 0 AMB 20-1:2219 3.50 (# 2219:20 Double Ambig)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 969, 970, 527, 528,
igr2= 966, 967, 966, 967,
&end
#
# 93 THR MG2 94 PRO HG+ 6.00 (# 2220:20 Unique 3.12, 5.32 A)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1590,1591,1592,
igr2=1602,1603,
&end
#
# 93 THR MG2 94 PRO HG- 6.00 (# 2221:20 Unique 3.12, 5.32 A)
&rst
ixpk= 2221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1590,1591,1592,
igr2=1602,1603,
&end
#
# 30 LYS HG- 0 AMB 20-1:2222 8.00 (# 2222:20 Single Ambig)
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 524, 525,
igr2= 966, 967, 966, 967,
&end
#
# 54 VAL MGX 55 PRO HG+ 6.00 (# 2223:20 Unique 3.00, 5.11 A)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 952, 953, 954, 956, 957, 958,
igr2= 966, 967,
&end
#
# 95 ILE QG2 0 AMB 20-1:2225 6.00 (# 2225:20 Single Ambig)
&rst
ixpk= 2225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1618,1619,1620,
igr2=1602,1603, 966, 967,
&end
#
# 56 ASP HN 55 PRO HD+ 8.00 (# 2226:20 Unique 3.87, 4.41 A)
&rst
ixpk= 2226, nxpk= 20, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 963, 964,
&end
#
# 93 THR HN 94 PRO HD+ 8.00 (# 2227:20 Unique 4.58, 4.85 A)
&rst
ixpk= 2227, nxpk= 20, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1599,1600,
&end
#
# 54 VAL HA 55 PRO HD+ 3.50 (# 2228:20 Unique 2.07, 2.24 A)
&rst
ixpk= 2228, nxpk= 20, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 963, 964,
&end
#
# 93 THR HA 94 PRO HD+ 2.80 (# 2229:20 Unique 2.20, 2.29 A)
&rst
ixpk= 2229, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1599,1600,
&end
#
# 54 VAL HA 55 PRO HD- 4.50 (# 2230:20 Unique 2.07, 2.24 A)
&rst
ixpk= 2230, nxpk= 20, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 963, 964,
&end
#
# 55 PRO HB+ 55 PRO HD+ 6.00 (# 2234:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 969, 970,
igr2= 963, 964,
&end
#
# 94 PRO HB+ 94 PRO HD+ 6.00 (# 2235:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1605,1606,
igr2=1599,1600,
&end
#
# 136 GLU HB+ 55 PRO HD+ 8.00 (# 2237:20 Unique 2.83, 4.66 A)
&rst
ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=2240,2241,
igr2= 963, 964,
&end
#
# 136 GLU HB- 55 PRO HD+ 6.00 (# 2238:20 Unique 2.83, 4.66 A)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2240,2241,
igr2= 963, 964,
&end
#
# 132 LEU HB- 55 PRO HD+ 6.00 (# 2239:20 Unique 6.21, 7.48 A)
&rst
ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2176,2177,
igr2= 963, 964,
&end
#
# 55 PRO HB+ 55 PRO HD- 8.00 (# 2240:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 969, 970,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:2241 55 PRO HD- 4.50 (# 2241:20 Single Ambig)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 966, 967,2243,2244,
igr2= 963, 964,
&end
#
# 136 GLU HB- 55 PRO HD- 6.00 (# 2242:20 Unique 2.83, 4.66 A)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2240,2241,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:2243 55 PRO HD- 6.00 (# 2243:20 Single Ambig)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 527, 528, 527, 528, 969, 970,
igr2= 963, 964,
&end
#
# 54 VAL MGX 55 PRO HD+ 6.00 (# 2244:20 Unique 1.91, 3.75 A)
&rst
ixpk= 2244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 952, 953, 954, 956, 957, 958,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:2245 0 AMB 20-1:2245 6.00 (# 2245:20 Double Ambig)
&rst
ixpk= 2245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187,
igr2= 963, 964, 963, 964,
&end
#
# 54 VAL MGX 55 PRO HD- 6.00 (# 2247:20 Unique 1.91, 3.75 A)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 952, 953, 954, 956, 957, 958,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:2248 55 PRO HD- 4.50 (# 2248:20 Single Ambig)
&rst
ixpk= 2248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187,
igr2= 963, 964,
&end
#
# 58 VAL MGX 55 PRO HD- 4.50 (# 2249:20 Unique 3.07, 4.98 A)
&rst
ixpk= 2249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1012,1013,1014,1016,1017,1018,
igr2= 963, 964,
&end
#
# 56 ASP HN 56 ASP HA 6.00 (# 2250:20 Unique 2.32, 2.35 A)
&rst
ixpk= 2250, nxpk= 20, iat= 976, 978, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 SER HN 56 ASP HA 6.00 (# 2251:20 Unique 4.40, 4.78 A)
&rst
ixpk= 2251, nxpk= 20, iat=1631, 978, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 ASP HB+ 56 ASP HA 3.50 (# 2252:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2252, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 980, 981,
&end
#
# 56 ASP HB- 56 ASP HA 3.50 (# 2253:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2253, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 980, 981,
&end
#
# 31 ILE HB 56 ASP HA 6.00 (# 2254:20 Unique 2.78, 3.51 A)
&rst
ixpk= 2254, nxpk= 20, iat= 543, 978, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ILE HG1- 56 ASP HA 4.50 (# 2255:20 Unique 2.00, 2.75 A)
&rst
ixpk= 2255, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 549, 550,
&end
#
# 95 ILE QG2 56 ASP HA 2.80 (# 2256:20 Unique 2.68, 3.45 A)
&rst
ixpk= 2256, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1618,1619,1620,
&end
#
# 31 ILE QD1 56 ASP HA 6.00 (# 2257:20 Unique 1.82, 3.93 A)
&rst
ixpk= 2257, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 552, 553, 554,
&end
#
# 56 ASP HN 56 ASP HB+ 6.00 (# 2258:20 Unique 2.66, 3.16 A)
&rst
ixpk= 2258, nxpk= 20, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 980, 981,
&end
#
# 56 ASP HN 56 ASP HB- 6.00 (# 2259:20 Unique 2.66, 3.16 A)
&rst
ixpk= 2259, nxpk= 20, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 980, 981,
&end
#
# 96 SER HN 56 ASP HB+ 8.00 (# 2260:20 Unique 5.70, 6.90 A)
&rst
ixpk= 2260, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 980, 981,
&end
#
# 96 SER HN 56 ASP HB- 8.00 (# 2261:20 Unique 5.70, 6.90 A)
&rst
ixpk= 2261, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 980, 981,
&end
#
# 0 AMB 20-2:2262 0 AMB 20-1:2262 4.50 (# 2262:20 Double Ambig)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1635,1636,1635,1636,1633,
igr2= 980, 981, 980, 981, 980, 981,
&end
#
# 56 ASP HA 56 ASP HB+ 3.50 (# 2263:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2263, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 980, 981,
&end
#
# 56 ASP HA 56 ASP HB- 3.50 (# 2264:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2264, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 980, 981,
&end
#
# 31 ILE HG1- 56 ASP HB+ 8.00 (# 2267:20 Unique 1.96, 3.53 A)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 549, 550,
igr2= 980, 981,
&end
#
# 31 ILE HG1- 56 ASP HB- 6.00 (# 2268:20 Unique 1.96, 3.53 A)
&rst
ixpk= 2268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 549, 550,
igr2= 980, 981,
&end
#
# 30 LYS HB- 56 ASP HB- 8.00 (# 2269:20 Unique 4.56, 5.60 A)
&rst
ixpk= 2269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 521, 522,
igr2= 980, 981,
&end
#
# 0 AMB 20-2:2270 0 AMB 20-1:2270 8.00 (# 2270:20 Double Ambig)
&rst
ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1= 521, 522, 856, 857, 856, 857,
igr2= 980, 981, 841, 842,
&end
#
# 0 AMB 20-2:2271 48 ASP HB- 6.00 (# 2271:20 Single Ambig)
&rst
ixpk= 2271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
igr2= 841, 842,
&end
#
# 95 ILE QG2 56 ASP HB- 6.00 (# 2272:20 Unique 4.69, 5.97 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1618,1619,1620,
igr2= 980, 981,
&end
#
# 31 ILE QD1 56 ASP HB- 6.00 (# 2273:20 Unique 2.46, 4.55 A)
&rst
ixpk= 2273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 552, 553, 554,
igr2= 980, 981,
&end
#
# 31 ILE QD1 56 ASP HB+ 6.00 (# 2274:20 Unique 2.46, 4.55 A)
&rst
ixpk= 2274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 552, 553, 554,
igr2= 980, 981,
&end
#
# 78 ALA HN 77 GLN HA 2.80 (# 2275:20 Unique 2.20, 2.27 A)
&rst
ixpk= 2275, nxpk= 20, iat=1359,1344, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 GLN HE2+ 77 GLN HA 6.00 (# 2276:20 Unique 1.94, 4.31 A)
&rst
ixpk= 2276, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1354,1355,
&end
#
# 77 GLN HE2- 77 GLN HA 6.00 (# 2277:20 Unique 1.94, 4.31 A)
&rst
ixpk= 2277, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1354,1355,
&end
#
# 76 ASN HA 77 GLN HA 6.00 (# 2278:20 Unique 4.58, 4.76 A)
&rst
ixpk= 2278, nxpk= 20, iat=1330,1344, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 GLN HG+ 77 GLN HA 3.50 (# 2280:20 Unique 2.69, 3.50 A)
&rst
ixpk= 2280, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1349,1350,
&end
#
# 77 GLN HB+ 77 GLN HA 3.50 (# 2281:20 Unique 2.21, 2.64 A)
&rst
ixpk= 2281, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1346,1347,
&end
#
# 77 GLN HB- 77 GLN HA 3.50 (# 2282:20 Unique 2.21, 2.64 A)
&rst
ixpk= 2282, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1346,1347,
&end
#
# 78 ALA MB 77 GLN HA 4.50 (# 2285:20 Unique 4.40, 4.91 A)
&rst
ixpk= 2285, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1363,1364,1365,
&end
#
# 73 LEU MDX 77 GLN HA 8.00 (# 2287:20 Unique 4.82, 7.39 A)
&rst
ixpk= 2287, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 74 ASN HN 77 GLN HB- 6.00 (# 2288:20 Unique 2.18, 3.91 A)
&rst
ixpk= 2288, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1346,1347,
&end
#
# 0 AMB 20-2:2289 0 AMB 20-1:2289 6.00 (# 2289:20 Double Ambig)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1359, 117,
igr2=1346,1347, 143, 144,
&end
#
# 78 ALA HN 77 GLN HB+ 6.00 (# 2290:20 Unique 2.67, 3.84 A)
&rst
ixpk= 2290, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1346,1347,
&end
#
# 77 GLN HE2+ 77 GLN HB+ 6.00 (# 2291:20 Unique 2.03, 3.94 A)
&rst
ixpk= 2291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1354,1355,
igr2=1346,1347,
&end
#
# 6 THR HN 9 GLN HB- 6.00 (# 2292:20 Unique 2.55, 4.03 A)
&rst
ixpk= 2292, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:2293 0 AMB 20-1:2293 3.50 (# 2293:20 Double Ambig)
&rst
ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1342,1337,1338,
igr2=1346,1347,1346,1347,
&end
#
# 0 AMB 20-2:2294 0 AMB 20-1:2294 3.50 (# 2294:20 Double Ambig)
&rst
ixpk= 2294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 151, 152,1342,
igr2= 143, 144,1346,1347,
&end
#
# 26 GLN HE2- 26 GLN HB+ 8.00 (# 2295:20 Unique 1.95, 4.21 A)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 466, 467,
igr2= 458, 459,
&end
#
# 0 AMB 20-2:2296 0 AMB 20-1:2296 2.80 (# 2296:20 Double Ambig)
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1344,1644,1287,
igr2=1346,1347,1646,1647,1346,1347,
&end
#
# 0 AMB 20-2:2298 0 AMB 20-1:2298 4.50 (# 2298:20 Double Ambig)
&rst
ixpk= 2298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1289,1290, 778, 779, 780, 782, 783, 784,
igr2=1346,1347, 756, 757,
&end
#
# 73 LEU HB- 77 GLN HB- 4.50 (# 2299:20 Unique 1.99, 4.66 A)
&rst
ixpk= 2299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1289,1290,
igr2=1346,1347,
&end
#
# 73 LEU MDY 77 GLN HB+ 6.00 (# 2300:20 Unique 2.86, 5.94 A)
&rst
ixpk= 2300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1346,1347,
&end
#
# 73 LEU MDX 77 GLN HB+ 6.00 (# 2301:20 Unique 2.86, 5.94 A)
&rst
ixpk= 2301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1346,1347,
&end
#
# 73 LEU MDX 77 GLN HB- 6.00 (# 2302:20 Unique 2.86, 5.94 A)
&rst
ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1346,1347,
&end
#
# 73 LEU MDY 77 GLN HB- 6.00 (# 2303:20 Unique 2.86, 5.94 A)
&rst
ixpk= 2303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1346,1347,
&end
#
# 92 SER HN 91 VAL HA 4.50 (# 2304:20 Unique 2.20, 2.30 A)
&rst
ixpk= 2304, nxpk= 20, iat=1573,1559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 VAL HN 91 VAL HA 6.00 (# 2305:20 Unique 2.83, 2.92 A)
&rst
ixpk= 2305, nxpk= 20, iat=1557,1559, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 THR HN 91 VAL HA 6.00 (# 2306:20 Unique 3.90, 4.41 A)
&rst
ixpk= 2306, nxpk= 20, iat=1584,1559, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 MET HG+ 91 VAL HA 6.00 (# 2307:20 Unique 6.09, 6.79 A)
&rst
ixpk= 2307, nxpk= 20, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1043,1044,
&end
#
# 91 VAL HB 91 VAL HA 3.50 (# 2308:20 Unique 2.41, 2.50 A)
&rst
ixpk= 2308, nxpk= 20, iat=1561,1559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 MET HB- 91 VAL HA 6.00 (# 2309:20 Unique 5.57, 6.42 A)
&rst
ixpk= 2309, nxpk= 20, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1040,1041,
&end
#
# 0 AMB 20-2:2310 91 VAL HA 2.80 (# 2310:20 Single Ambig)
&rst
ixpk= 2310, nxpk= 20, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,
&end
#
# 0 AMB 20-2:2311 0 AMB 20-1:2311 6.00 (# 2311:20 Double Ambig)
&rst
ixpk= 2311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 35,1546,1053,
igr2= 28, 29,1561,
&end
#
# 91 VAL HN 91 VAL HB 6.00 (# 2312:20 Unique 2.84, 3.25 A)
&rst
ixpk= 2312, nxpk= 20, iat=1557,1561, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 THR HN 91 VAL HB 8.00 (# 2313:20 Unique 4.22, 4.73 A)
&rst
ixpk= 2313, nxpk= 20, iat=1584,1561, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 88 MET HA 91 VAL HB 6.00 (# 2314:20 Unique 2.91, 3.68 A)
&rst
ixpk= 2314, nxpk= 20, iat=1515,1561, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 GLU HA 2 PRO HB+ 8.00 (# 2315:20 Unique 5.31, 6.80 A)
&rst
ixpk= 2315, nxpk= 20, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 28, 29,
&end
#
# 91 VAL HA 91 VAL HB 4.50 (# 2316:20 Unique 2.41, 2.50 A)
&rst
ixpk= 2316, nxpk= 20, iat=1559,1561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2318 0 AMB 20-1:2318 4.50 (# 2318:20 Double Ambig)
&rst
ixpk= 2318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 39, 40,1057,1058,1057,1058,
igr2= 28, 29,1561,
&end
#
# 0 AMB 20-2:2319 91 VAL HB 2.80 (# 2319:20 Single Ambig)
&rst
ixpk= 2319, nxpk= 20, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,
&end
#
# 92 SER HN 91 VAL MGY 6.00 (# 2320:20 Unique 1.72, 3.56 A)
&rst
ixpk= 2320, nxpk= 20, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 0 AMB 20-2:2321 0 AMB 20-1:2321 4.50 (# 2321:20 Double Ambig)
&rst
ixpk= 2321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1053, 626,
igr2=1563,1564,1565,1567,1568,1569,1886,1887,1888,1890,
1891,1892,
&end
#
# 0 AMB 20-2:2322 0 AMB 20-1:2322 3.50 (# 2322:20 Double Ambig)
&rst
ixpk= 2322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1584,1657,
igr2=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
1668,1669,
&end
#
# 112 VAL HA 0 AMB 20-1:2324 4.50 (# 2324:20 Single Ambig)
&rst
ixpk= 2324, nxpk= 20, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
&end
#
# 0 AMB 20-2:2325 0 AMB 20-1:2325 6.00 (# 2325:20 Double Ambig)
&rst
ixpk= 2325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1430, 628,
igr2=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
&end
#
# 0 AMB 20-2:2326 0 AMB 20-1:2326 2.80 (# 2326:20 Double Ambig)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1559, 667,
igr2=1563,1564,1565,1567,1568,1569,1886,1887,1888,1890,
1891,1892,
&end
#
# 0 AMB 20-2:2328 0 AMB 20-1:2328 4.50 (# 2328:20 Double Ambig)
&rst
ixpk= 2328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 669, 670, 669, 670,
igr2=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
&end
#
# 0 AMB 20-2:2329 0 AMB 20-1:2329 3.50 (# 2329:20 Double Ambig)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1043,1044,1043,1044, 643,
igr2=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
1668,1669,1886,1887,1888,1890,1891,1892,
&end
#
# 0 AMB 20-2:2330 91 VAL MGY 6.00 (# 2330:20 Single Ambig)
&rst
ixpk= 2330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1520,1521,1520,1521,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 0 AMB 20-2:2331 0 AMB 20-1:2331 3.50 (# 2331:20 Double Ambig)
&rst
ixpk= 2331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=1870,1871,1870,1871,1870,1871,1900,1901,
igr2=1663,1664,1665,1667,1668,1669,1886,1887,1888,1890,
1891,1892,
&end
#
# 95 ILE HN 59 ASN HA 6.00 (# 2332:20 Unique 2.25, 2.67 A)
&rst
ixpk= 2332, nxpk= 20, iat=1612,1024, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 ASN HN 59 ASN HA 6.00 (# 2333:20 Unique 2.88, 2.94 A)
&rst
ixpk= 2333, nxpk= 20, iat=1022,1024, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 MET HN 59 ASN HA 4.50 (# 2335:20 Unique 2.40, 2.55 A)
&rst
ixpk= 2335, nxpk= 20, iat=1036,1024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 PRO HA 59 ASN HA 2.80 (# 2337:20 Unique 2.00, 2.46 A)
&rst
ixpk= 2337, nxpk= 20, iat=1608,1024, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 ASN HB+ 59 ASN HA 4.50 (# 2338:20 Unique 2.29, 2.50 A)
&rst
ixpk= 2338, nxpk= 20, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1026,1027,
&end
#
# 59 ASN HB- 59 ASN HA 4.50 (# 2339:20 Unique 2.29, 2.50 A)
&rst
ixpk= 2339, nxpk= 20, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1026,1027,
&end
#
# 0 AMB 20-2:2340 59 ASN HA 6.00 (# 2340:20 Single Ambig)
&rst
ixpk= 2340, nxpk= 20, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1605,1606,1071,1072,
&end
#
# 0 AMB 20-2:2341 59 ASN HA 4.50 (# 2341:20 Single Ambig)
&rst
ixpk= 2341, nxpk= 20, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1605,1606,1083,1084,1602,1603,
&end
#
# 59 ASN HN 59 ASN HB- 6.00 (# 2343:20 Unique 2.53, 3.25 A)
&rst
ixpk= 2343, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1026,1027,
&end
#
# 61 SER HN 59 ASN HB- 6.00 (# 2345:20 Unique 2.82, 3.77 A)
&rst
ixpk= 2345, nxpk= 20, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1026,1027,
&end
#
# 59 ASN HD2- 59 ASN HB- 6.00 (# 2348:20 Unique 2.15, 3.30 A)
&rst
ixpk= 2348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1031,1032,
igr2=1026,1027,
&end
#
# 59 ASN HA 59 ASN HB- 4.50 (# 2349:20 Unique 2.29, 2.50 A)
&rst
ixpk= 2349, nxpk= 20, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1026,1027,
&end
#
# 94 PRO HA 59 ASN HB- 4.50 (# 2352:20 Unique 1.99, 3.45 A)
&rst
ixpk= 2352, nxpk= 20, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1026,1027,
&end
#
# 94 PRO HA 59 ASN HB+ 6.00 (# 2353:20 Unique 1.99, 3.45 A)
&rst
ixpk= 2353, nxpk= 20, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1026,1027,
&end
#
# 0 AMB 20-2:2355 0 AMB 20-1:2355 6.00 (# 2355:20 Double Ambig)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1761,1762, 296,1057,1058,1057,1058,
igr2=1788,1789,1026,1027,
&end
#
# 0 AMB 20-2:2358 0 AMB 20-1:2358 6.00 (# 2358:20 Double Ambig)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1040,1041,1071,1072,
igr2=1026,1027,1026,1027,
&end
#
# 0 AMB 20-2:2361 60 MET HA 6.00 (# 2361:20 Single Ambig)
&rst
ixpk= 2361, nxpk= 20, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1036,1064,
&end
#
# 60 MET HB+ 60 MET HA 6.00 (# 2363:20 Unique 2.38, 2.75 A)
&rst
ixpk= 2363, nxpk= 20, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1040,1041,
&end
#
# 0 AMB 20-2:2364 60 MET HA 3.50 (# 2364:20 Single Ambig)
&rst
ixpk= 2364, nxpk= 20, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1083,1084,1040,1041,
&end
#
# 60 MET ME 60 MET HA 6.00 (# 2365:20 Unique 1.74, 3.14 A)
&rst
ixpk= 2365, nxpk= 20, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1047,1048,1049,
&end
#
# 63 LEU MDX 60 MET HA 6.00 (# 2366:20 Unique 1.93, 3.66 A)
&rst
ixpk= 2366, nxpk= 20, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1088,1089,1090,1092,1093,1094,
&end
#
# 6 THR HN 9 GLN HB+ 4.50 (# 2367:20 Unique 2.55, 4.03 A)
&rst
ixpk= 2367, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 143, 144,
&end
#
# 61 SER HN 60 MET HB+ 6.00 (# 2368:20 Unique 1.96, 2.87 A)
&rst
ixpk= 2368, nxpk= 20, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1040,1041,
&end
#
# 60 MET HN 60 MET HB+ 4.50 (# 2369:20 Unique 2.07, 2.98 A)
&rst
ixpk= 2369, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 9 GLN HN 9 GLN HB+ 6.00 (# 2370:20 Unique 2.20, 2.70 A)
&rst
ixpk= 2370, nxpk= 20, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:2371 0 AMB 20-1:2371 6.00 (# 2371:20 Double Ambig)
&rst
ixpk= 2371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1057,1058,1057,1058, 39, 40,
igr2=1040,1041,1040,1041, 143, 144,
&end
#
# 0 AMB 20-2:2372 0 AMB 20-1:2372 3.50 (# 2372:20 Double Ambig)
&rst
ixpk= 2372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1043,1044,1043,1044,
igr2=1040,1041,1040,1041,
&end
#
# 0 AMB 20-2:2374 0 AMB 20-1:2374 3.50 (# 2374:20 Double Ambig)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,
igr2=1040,1041,1040,1041,
&end
#
# 0 AMB 20-2:2375 0 AMB 20-1:2375 8.00 (# 2375:20 Double Ambig)
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1=1053,1546,1098,
igr2=1043,1044,1043,1044,1043,1044,1043,1044,
&end
#
# 0 AMB 20-2:2376 0 AMB 20-1:2376 6.00 (# 2376:20 Double Ambig)
&rst
ixpk= 2376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1053,1546,1098,
igr2=1043,1044,1043,1044,1043,1044,1043,1044,
&end
#
# 60 MET HN 0 AMB 20-1:2377 4.50 (# 2377:20 Single Ambig)
&rst
ixpk= 2377, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1043,1044,1043,1044,
&end
#
# 60 MET HA 0 AMB 20-1:2378 6.00 (# 2378:20 Single Ambig)
&rst
ixpk= 2378, nxpk= 20, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1043,1044,1043,1044,
&end
#
# 60 MET HA 60 MET HG- 6.00 (# 2379:20 Unique 2.23, 3.27 A)
&rst
ixpk= 2379, nxpk= 20, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1043,1044,
&end
#
# 91 VAL HA 0 AMB 20-1:2380 8.00 (# 2380:20 Single Ambig)
&rst
ixpk= 2380, nxpk= 20, iat=1559, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=1043,1044,1043,1044,
&end
#
# 91 VAL HA 0 AMB 20-1:2381 6.00 (# 2381:20 Single Ambig)
&rst
ixpk= 2381, nxpk= 20, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1043,1044,1043,1044,
&end
#
# 95 ILE HA 0 AMB 20-1:2382 8.00 (# 2382:20 Single Ambig)
&rst
ixpk= 2382, nxpk= 20, iat=1614, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=1043,1044,1043,1044,
&end
#
# 0 AMB 20-2:2383 0 AMB 20-1:2383 6.00 (# 2383:20 Double Ambig)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1588,1659,
igr2=1043,1044,1043,1044,1043,1044,
&end
#
# 0 AMB 20-2:2384 60 MET HG- 6.00 (# 2384:20 Single Ambig)
&rst
ixpk= 2384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1588,1659,
igr2=1043,1044,
&end
#
# 60 MET HB+ 60 MET HG- 3.50 (# 2385:20 Unique 2.21, 2.58 A)
&rst
ixpk= 2385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1040,1041,
igr2=1043,1044,
&end
#
# 88 MET HB- 60 MET HG+ 2.80 (# 2386:20 Unique 1.99, 4.02 A)
&rst
ixpk= 2386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1517,1518,
igr2=1043,1044,
&end
#
# 93 THR MG2 0 AMB 20-1:2387 6.00 (# 2387:20 Single Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1590,1591,1592,
igr2=1043,1044,1043,1044,
&end
#
# 93 THR MG2 0 AMB 20-1:2388 6.00 (# 2388:20 Single Ambig)
&rst
ixpk= 2388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1590,1591,1592,
igr2=1043,1044,1043,1044,
&end
#
# 0 AMB 20-2:2389 0 AMB 20-1:2389 8.00 (# 2389:20 Double Ambig)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1622,1623,1622,1623,1083,1084,
igr2=1043,1044,1043,1044,1043,1044,
&end
#
# 0 AMB 20-2:2390 0 AMB 20-1:2390 3.50 (# 2390:20 Double Ambig)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
1668,1669,1663,1664,1665,1667,1668,1669,
igr2=1043,1044,1043,1044,1043,1044,1043,1044,
&end
#
# 63 LEU MDX 60 MET HG- 8.00 (# 2391:20 Unique 3.41, 6.14 A)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1088,1089,1090,1092,1093,1094,
igr2=1043,1044,
&end
#
# 61 SER HN 0 AMB 20-1:2392 3.50 (# 2392:20 Single Ambig)
&rst
ixpk= 2392, nxpk= 20, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1057,1058,1057,1058,
&end
#
# 92 SER HN 0 AMB 20-1:2393 6.00 (# 2393:20 Single Ambig)
&rst
ixpk= 2393, nxpk= 20, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1057,1058,1057,1058,
&end
#
# 0 AMB 20-2:2394 0 AMB 20-1:2394 4.50 (# 2394:20 Double Ambig)
&rst
ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1557,1064,
igr2=1057,1058,1057,1058,1057,1058,
&end
#
# 90 SER HA 0 AMB 20-1:2396 6.00 (# 2396:20 Single Ambig)
&rst
ixpk= 2396, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1057,1058,1057,1058,
&end
#
# 91 VAL HA 0 AMB 20-1:2397 6.00 (# 2397:20 Single Ambig)
&rst
ixpk= 2397, nxpk= 20, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1057,1058,1057,1058,
&end
#
# 61 SER HA 0 AMB 20-1:2398 2.80 (# 2398:20 Single Ambig)
&rst
ixpk= 2398, nxpk= 20, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1057,1058,1057,1058,
&end
#
# 0 AMB 20-2:2401 0 AMB 20-1:2401 8.00 (# 2401:20 Double Ambig)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1071,1072,1071,1072,
igr2=1057,1058,1057,1058,
&end
#
# 0 AMB 20-2:2402 0 AMB 20-1:2402 4.50 (# 2402:20 Double Ambig)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1=1040,1041,1040,1041,1561,1071,1072,
igr2=1057,1058,1057,1058,1057,1058,1057,1058,
&end
#
# 0 AMB 20-2:2403 58 VAL HA 6.00 (# 2403:20 Single Ambig)
&rst
ixpk= 2403, nxpk= 20, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 966, 967,1605,1606,1083,1084,
&end
#
# 0 AMB 20-2:2404 0 AMB 20-1:2404 6.00 (# 2404:20 Double Ambig)
&rst
ixpk= 2404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1102,1517,1518,1047,1048,1049,
igr2=1057,1058,1057,1058,1057,1058,
&end
#
# 0 AMB 20-2:2405 0 AMB 20-1:2405 8.00 (# 2405:20 Double Ambig)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1124,1125,1124,1125,
igr2=1057,1058,1057,1058,
&end
#
# 91 VAL MGX 0 AMB 20-1:2406 4.50 (# 2406:20 Single Ambig)
&rst
ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1563,1564,1565,1567,1568,1569,
igr2=1057,1058,1057,1058,
&end
#
# 54 VAL MGY 58 VAL HA 4.50 (# 2407:20 Unique 4.25, 5.37 A)
&rst
ixpk= 2407, nxpk= 20, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 64 ILE HN 62 GLU HA 6.00 (# 2409:20 Unique 3.95, 4.51 A)
&rst
ixpk= 2409, nxpk= 20, iat=1098,1066, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2410 62 GLU HA 4.50 (# 2410:20 Single Ambig)
&rst
ixpk= 2410, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1064,1139,
&end
#
# 65 LYS HN 62 GLU HA 6.00 (# 2412:20 Unique 3.36, 3.66 A)
&rst
ixpk= 2412, nxpk= 20, iat=1117,1066, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2413 62 GLU HA 6.00 (# 2413:20 Single Ambig)
&rst
ixpk= 2413, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1130,1131,1130,1131,
&end
#
# 62 GLU HG- 62 GLU HA 3.50 (# 2414:20 Unique 2.04, 3.08 A)
&rst
ixpk= 2414, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1071,1072,
&end
#
# 0 AMB 20-2:2415 62 GLU HA 2.80 (# 2415:20 Single Ambig)
&rst
ixpk= 2415, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1121,1122,1068,1069,
&end
#
# 0 AMB 20-2:2416 62 GLU HA 3.50 (# 2416:20 Single Ambig)
&rst
ixpk= 2416, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1127,1128,1127,1128,
&end
#
# 0 AMB 20-2:2419 62 GLU HA 6.00 (# 2419:20 Single Ambig)
&rst
ixpk= 2419, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1145,1146,1147,1012,1013,1014,1016,1017,1018,2212,
2213,2214,2216,2217,2218,
&end
#
# 59 ASN HN 62 GLU HB+ 6.00 (# 2420:20 Unique 2.35, 2.94 A)
&rst
ixpk= 2420, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1068,1069,
&end
#
# 59 ASN HN 62 GLU HB- 6.00 (# 2421:20 Unique 2.35, 2.94 A)
&rst
ixpk= 2421, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1068,1069,
&end
#
# 62 GLU HA 62 GLU HB- 2.80 (# 2424:20 Unique 2.34, 2.75 A)
&rst
ixpk= 2424, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1068,1069,
&end
#
# 59 ASN HB+ 62 GLU HB+ 6.00 (# 2425:20 Unique 2.94, 4.96 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1026,1027,
igr2=1068,1069,
&end
#
# 58 VAL MGY 62 GLU HB- 2.80 (# 2428:20 Unique 1.80, 3.82 A)
&rst
ixpk= 2428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1012,1013,1014,1016,1017,1018,
igr2=1068,1069,
&end
#
# 0 AMB 20-2:2430 0 AMB 20-1:2430 8.00 (# 2430:20 Double Ambig)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1=1064,1036,1139,
igr2=1083,1084,1083,1084,1083,1084,
&end
#
# 0 AMB 20-2:2431 63 LEU HB- 6.00 (# 2431:20 Single Ambig)
&rst
ixpk= 2431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1064,1036,
igr2=1083,1084,
&end
#
# 60 MET HA 63 LEU HB+ 6.00 (# 2432:20 Unique 2.08, 4.43 A)
&rst
ixpk= 2432, nxpk= 20, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1083,1084,
&end
#
# 63 LEU HA 63 LEU HB+ 6.00 (# 2433:20 Unique 2.29, 2.51 A)
&rst
ixpk= 2433, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1083,1084,
&end
#
# 60 MET HA 63 LEU HB- 6.00 (# 2434:20 Unique 2.08, 4.43 A)
&rst
ixpk= 2434, nxpk= 20, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1083,1084,
&end
#
# 60 MET ME 63 LEU HB- 6.00 (# 2435:20 Unique 2.33, 5.80 A)
&rst
ixpk= 2435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1047,1048,1049,
igr2=1083,1084,
&end
#
# 0 AMB 20-2:2436 0 AMB 20-1:2436 6.00 (# 2436:20 Double Ambig)
&rst
ixpk= 2436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=1047,1048,1049,1108,1109,
igr2=1083,1084,1083,1084,
&end
#
# 63 LEU HG 63 LEU HB- 3.50 (# 2437:20 Unique 2.30, 2.78 A)
&rst
ixpk= 2437, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1083,1084,
&end
#
# 0 AMB 20-2:2438 63 LEU HB- 6.00 (# 2438:20 Single Ambig)
&rst
ixpk= 2438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=2181,2182,2183,2185,2186,2187,1111,1112,1113,
igr2=1083,1084,
&end
#
# 0 AMB 20-2:2439 0 AMB 20-1:2439 6.00 (# 2439:20 Double Ambig)
&rst
ixpk= 2439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187,1111,1112,1113,
igr2=1083,1084,1083,1084,1083,1084,
&end
#
# 64 ILE HN 63 LEU HG 6.00 (# 2441:20 Unique 1.95, 2.73 A)
&rst
ixpk= 2441, nxpk= 20, iat=1098,1086, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2442 71 LEU HG 6.00 (# 2442:20 Single Ambig)
&rst
ixpk= 2442, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1251,1227,
&end
#
# 63 LEU HA 63 LEU HG 6.00 (# 2443:20 Unique 2.39, 3.40 A)
&rst
ixpk= 2443, nxpk= 20, iat=1081,1086, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 LEU HB+ 63 LEU HG 4.50 (# 2444:20 Unique 2.30, 2.78 A)
&rst
ixpk= 2444, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1083,1084,
&end
#
# 63 LEU HB- 63 LEU HG 2.80 (# 2445:20 Unique 2.30, 2.78 A)
&rst
ixpk= 2445, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1083,1084,
&end
#
# 0 AMB 20-2:2446 63 LEU HG 2.80 (# 2446:20 Single Ambig)
&rst
ixpk= 2446, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1012,1013,1014,1016,1017,1018,1088,1089,1090,1092,
1093,1094,
&end
#
# 0 AMB 20-2:2447 63 LEU HG 6.00 (# 2447:20 Single Ambig)
&rst
ixpk= 2447, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2212,2213,2214,2216,2217,2218,1164,1165,1166,
&end
#
# 64 ILE HN 63 LEU MDY 6.00 (# 2448:20 Unique 2.07, 4.24 A)
&rst
ixpk= 2448, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 66 ILE HN 63 LEU MDY 6.00 (# 2449:20 Unique 5.21, 7.56 A)
&rst
ixpk= 2449, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 63 LEU HB+ 63 LEU MDY 4.50 (# 2450:20 Unique 2.32, 3.24 A)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1083,1084,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 20-2:2451 63 LEU MDY 4.50 (# 2451:20 Single Ambig)
&rst
ixpk= 2451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1047,1048,1049,1108,1109, 950,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 63 LEU HG 63 LEU MDY 2.80 (# 2453:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2453, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 20-2:2454 63 LEU MDY 2.80 (# 2454:20 Single Ambig)
&rst
ixpk= 2454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1168,1169,1083,1084,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 20-2:2456 64 ILE HA 4.50 (# 2456:20 Single Ambig)
&rst
ixpk= 2456, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1098,1177,1158,
&end
#
# 65 LYS HN 64 ILE HA 8.00 (# 2457:20 Unique 3.51, 3.54 A)
&rst
ixpk= 2457, nxpk= 20, iat=1117,1100, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:2458 64 ILE HA 8.00 (# 2458:20 Single Ambig)
&rst
ixpk= 2458, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 917, 921,1377,1385,
&end
#
# 79 PHE HE 64 ILE HA 6.00 (# 2459:20 Unique 3.41, 5.08 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1379,1383,
&end
#
# 0 AMB 20-2:2460 64 ILE HA 3.50 (# 2460:20 Single Ambig)
&rst
ixpk= 2460, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1108,1109,1102,
&end
#
# 67 ILE HB 64 ILE HA 6.00 (# 2461:20 Unique 2.38, 3.15 A)
&rst
ixpk= 2461, nxpk= 20, iat=1162,1100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2462 64 ILE HA 6.00 (# 2462:20 Single Ambig)
&rst
ixpk= 2462, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1086,1256,
&end
#
# 0 AMB 20-2:2463 64 ILE HA 6.00 (# 2463:20 Single Ambig)
&rst
ixpk= 2463, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1413,1414,1168,1169,1083,1084,
&end
#
# 0 AMB 20-2:2464 64 ILE HA 2.80 (# 2464:20 Single Ambig)
&rst
ixpk= 2464, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1104,1105,1106,1111,1112,1113,
&end
#
# 63 LEU MDY 64 ILE HA 8.00 (# 2465:20 Unique 2.38, 5.26 A)
&rst
ixpk= 2465, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1088,1089,1090,1092,1093,1094,
&end
#
# 67 ILE QG2 64 ILE HA 6.00 (# 2466:20 Unique 2.17, 3.84 A)
&rst
ixpk= 2466, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1164,1165,1166,
&end
#
# 67 ILE QD1 64 ILE HA 8.00 (# 2467:20 Unique 4.74, 6.03 A)
&rst
ixpk= 2467, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1171,1172,1173,
&end
#
# 0 AMB 20-2:2468 0 AMB 20-1:2468 2.80 (# 2468:20 Double Ambig)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1098,1158,
igr2=1102,1143,
&end
#
# 66 ILE HN 66 ILE HB 3.50 (# 2469:20 Unique 2.34, 2.65 A)
&rst
ixpk= 2469, nxpk= 20, iat=1139,1143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 LYS HN 64 ILE HB 6.00 (# 2470:20 Unique 2.31, 2.68 A)
&rst
ixpk= 2470, nxpk= 20, iat=1117,1102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 SER HA 64 ILE HB 6.00 (# 2471:20 Unique 2.19, 2.60 A)
&rst
ixpk= 2471, nxpk= 20, iat=1055,1102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ILE HA 66 ILE HB 6.00 (# 2472:20 Unique 2.33, 2.41 A)
&rst
ixpk= 2472, nxpk= 20, iat=1141,1143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 ILE HA 64 ILE HB 6.00 (# 2473:20 Unique 2.94, 2.98 A)
&rst
ixpk= 2473, nxpk= 20, iat=1100,1102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2474 0 AMB 20-1:2474 4.50 (# 2474:20 Double Ambig)
&rst
ixpk= 2474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1081,1066,
igr2=1143,1102,
&end
#
# 0 AMB 20-2:2475 0 AMB 20-1:2475 6.00 (# 2475:20 Double Ambig)
&rst
ixpk= 2475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=1124,1125,1127,1128,1127,1128,2179,1124,1125,1162,
igr2=1102,1143,
&end
#
# 81 LEU HG 64 ILE HB 6.00 (# 2476:20 Unique 4.92, 6.21 A)
&rst
ixpk= 2476, nxpk= 20, iat=1416,1102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2477 0 AMB 20-1:2477 6.00 (# 2477:20 Double Ambig)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1168,1169,1083,1084,
igr2=1143,1102,
&end
#
# 0 AMB 20-2:2478 0 AMB 20-1:2478 2.80 (# 2478:20 Double Ambig)
&rst
ixpk= 2478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1149,1150,1111,1112,1113,1104,1105,1106,2181,2182,
2183,2185,2186,2187,
igr2=1143,1102,
&end
#
# 0 AMB 20-2:2479 0 AMB 20-1:2479 4.50 (# 2479:20 Double Ambig)
&rst
ixpk= 2479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1152,1153,1154,1088,1089,1090,1092,1093,1094,
igr2=1143,1102,
&end
#
# 67 ILE QG2 0 AMB 20-1:2480 6.00 (# 2480:20 Single Ambig)
&rst
ixpk= 2480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1164,1165,1166,
igr2=1102,1143,
&end
#
# 64 ILE HN 64 ILE HG1+ 6.00 (# 2482:20 Unique 2.20, 3.20 A)
&rst
ixpk= 2482, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1108,1109,
&end
#
# 64 ILE HA 64 ILE HG1+ 6.00 (# 2484:20 Unique 2.06, 2.61 A)
&rst
ixpk= 2484, nxpk= 20, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1108,1109,
&end
#
# 79 PHE HE 64 ILE HG1+ 6.00 (# 2485:20 Unique 3.06, 5.94 A)
&rst
ixpk= 2485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1379,1383,
igr2=1108,1109,
&end
#
# 64 ILE QD1 64 ILE HG1+ 2.80 (# 2487:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1111,1112,1113,
igr2=1108,1109,
&end
#
# 81 LEU HN 64 ILE QD1 6.00 (# 2488:20 Unique 3.70, 5.16 A)
&rst
ixpk= 2488, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1111,1112,1113,
&end
#
# 0 AMB 20-2:2489 64 ILE QD1 6.00 (# 2489:20 Single Ambig)
&rst
ixpk= 2489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1064,1036,1557,
igr2=1111,1112,1113,
&end
#
# 79 PHE HE 64 ILE QD1 6.00 (# 2490:20 Unique 3.96, 7.40 A)
&rst
ixpk= 2490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1379,1383,
igr2=1111,1112,1113,
&end
#
# 0 AMB 20-2:2491 64 ILE QD1 8.00 (# 2491:20 Single Ambig)
&rst
ixpk= 2491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1038,1504,
igr2=1111,1112,1113,
&end
#
# 0 AMB 20-2:2492 64 ILE QD1 6.00 (# 2492:20 Single Ambig)
&rst
ixpk= 2492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1506,1507,1506,1507,1057,1058,1057,1058,
igr2=1111,1112,1113,
&end
#
# 0 AMB 20-2:2493 64 ILE QD1 6.00 (# 2493:20 Single Ambig)
&rst
ixpk= 2493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1043,1044,1043,1044,
igr2=1111,1112,1113,
&end
#
# 81 LEU HB+ 64 ILE QD1 4.50 (# 2495:20 Unique 2.31, 4.50 A)
&rst
ixpk= 2495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1413,1414,
igr2=1111,1112,1113,
&end
#
# 66 ILE HN 64 ILE QG2 8.00 (# 2497:20 Unique 4.97, 6.33 A)
&rst
ixpk= 2497, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1104,1105,1106,
&end
#
# 65 LYS HN 64 ILE QG2 6.00 (# 2498:20 Unique 2.75, 3.94 A)
&rst
ixpk= 2498, nxpk= 20, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1104,1105,1106,
&end
#
# 60 MET HA 64 ILE QG2 8.00 (# 2500:20 Unique 6.24, 6.95 A)
&rst
ixpk= 2500, nxpk= 20, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1104,1105,1106,
&end
#
# 65 LYS HA 64 ILE QG2 6.00 (# 2501:20 Unique 2.90, 4.14 A)
&rst
ixpk= 2501, nxpk= 20, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1104,1105,1106,
&end
#
# 0 AMB 20-2:2502 64 ILE QG2 6.00 (# 2502:20 Single Ambig)
&rst
ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1187,1188,1373,1374,
igr2=1104,1105,1106,
&end
#
# 63 LEU HB+ 64 ILE QG2 6.00 (# 2504:20 Unique 5.89, 7.61 A)
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1083,1084,
igr2=1104,1105,1106,
&end
#
# 65 LYS HG+ 64 ILE QG2 4.50 (# 2505:20 Unique 2.94, 5.18 A)
&rst
ixpk= 2505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1124,1125,
igr2=1104,1105,1106,
&end
#
# 0 AMB 20-2:2508 65 LYS HA 6.00 (# 2508:20 Single Ambig)
&rst
ixpk= 2508, nxpk= 20, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1177,1158,
&end
#
# 66 ILE HN 65 LYS HA 6.00 (# 2509:20 Unique 3.52, 3.57 A)
&rst
ixpk= 2509, nxpk= 20, iat=1139,1119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ARG HN 65 LYS HA 6.00 (# 2510:20 Unique 3.75, 4.36 A)
&rst
ixpk= 2510, nxpk= 20, iat=1201,1119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 ARG HD+ 65 LYS HA 8.00 (# 2512:20 Unique 2.94, 5.45 A)
&rst
ixpk= 2512, nxpk= 20, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1187,1188,
&end
#
# 0 AMB 20-2:2513 65 LYS HA 8.00 (# 2513:20 Single Ambig)
&rst
ixpk= 2513, nxpk= 20, iat= -1,1119, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1130,1131,1130,1131,
&end
#
# 68 ARG HD- 65 LYS HA 6.00 (# 2514:20 Unique 2.94, 5.45 A)
&rst
ixpk= 2514, nxpk= 20, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1187,1188,
&end
#
# 65 LYS HG+ 65 LYS HA 3.50 (# 2515:20 Unique 2.07, 2.75 A)
&rst
ixpk= 2515, nxpk= 20, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1124,1125,
&end
#
# 65 LYS HG- 65 LYS HA 4.50 (# 2516:20 Unique 2.07, 2.75 A)
&rst
ixpk= 2516, nxpk= 20, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1124,1125,
&end
#
# 0 AMB 20-2:2517 65 LYS HA 6.00 (# 2517:20 Single Ambig)
&rst
ixpk= 2517, nxpk= 20, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1184,1185,1164,1165,1166,
&end
#
# 0 AMB 20-2:2518 0 AMB 20-1:2518 6.00 (# 2518:20 Double Ambig)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1139, 871,
igr2=1121,1122, 8, 9,
&end
#
# 0 AMB 20-2:2519 0 AMB 20-1:2519 4.50 (# 2519:20 Double Ambig)
&rst
ixpk= 2519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1139, 871,
igr2=1121,1122, 28, 29,
&end
#
# 0 AMB 20-2:2520 0 AMB 20-1:2520 3.50 (# 2520:20 Double Ambig)
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1117, 849,
igr2=1121,1122, 28, 29,
&end
#
# 0 AMB 20-2:2521 0 AMB 20-1:2521 3.50 (# 2521:20 Double Ambig)
&rst
ixpk= 2521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1117, 849,
igr2=1121,1122, 28, 29,
&end
#
# 62 GLU HA 65 LYS HB- 4.50 (# 2522:20 Unique 2.32, 3.79 A)
&rst
ixpk= 2522, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1121,1122,
&end
#
# 0 AMB 20-2:2523 0 AMB 20-1:2523 3.50 (# 2523:20 Double Ambig)
&rst
ixpk= 2523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1119, 22, 23,
igr2=1121,1122, 28, 29,
&end
#
# 0 AMB 20-2:2524 0 AMB 20-1:2524 2.80 (# 2524:20 Double Ambig)
&rst
ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1127,1128,1127,1128,1124,1125,
igr2=1121,1122,1121,1122,1121,1122,
&end
#
# 0 AMB 20-2:2525 65 LYS HB- 2.80 (# 2525:20 Single Ambig)
&rst
ixpk= 2525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1127,1128,1127,1128,1124,1125,
igr2=1121,1122,
&end
#
# 65 LYS HG- 65 LYS HB- 4.50 (# 2526:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1124,1125,
igr2=1121,1122,
&end
#
# 66 ILE HN 65 LYS HG- 8.00 (# 2527:20 Unique 1.90, 4.48 A)
&rst
ixpk= 2527, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1124,1125,
&end
#
# 65 LYS HN 65 LYS HG+ 6.00 (# 2528:20 Unique 2.42, 3.43 A)
&rst
ixpk= 2528, nxpk= 20, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1124,1125,
&end
#
# 65 LYS HN 65 LYS HG- 6.00 (# 2529:20 Unique 2.42, 3.43 A)
&rst
ixpk= 2529, nxpk= 20, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1124,1125,
&end
#
# 62 GLU HA 65 LYS HG+ 6.00 (# 2530:20 Unique 2.59, 4.78 A)
&rst
ixpk= 2530, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1124,1125,
&end
#
# 62 GLU HA 65 LYS HG- 8.00 (# 2531:20 Unique 2.59, 4.78 A)
&rst
ixpk= 2531, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1124,1125,
&end
#
# 65 LYS HA 65 LYS HG+ 6.00 (# 2532:20 Unique 2.07, 2.75 A)
&rst
ixpk= 2532, nxpk= 20, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1124,1125,
&end
#
# 0 AMB 20-2:2533 0 AMB 20-1:2533 6.00 (# 2533:20 Double Ambig)
&rst
ixpk= 2533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1130,1131,1130,1131,
igr2=1124,1125,1124,1125,
&end
#
# 0 AMB 20-2:2535 66 ILE HA 6.00 (# 2535:20 Single Ambig)
&rst
ixpk= 2535, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1158,1177,
&end
#
# 66 ILE HN 66 ILE HA 6.00 (# 2536:20 Unique 2.74, 2.79 A)
&rst
ixpk= 2536, nxpk= 20, iat=1139,1141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ARG HN 66 ILE HA 6.00 (# 2537:20 Unique 3.42, 3.68 A)
&rst
ixpk= 2537, nxpk= 20, iat=1201,1141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 ARG HN 66 ILE HA 6.00 (# 2538:20 Unique 3.91, 4.19 A)
&rst
ixpk= 2538, nxpk= 20, iat=1225,1141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 ILE HA 66 ILE HA 6.00 (# 2541:20 Unique 4.68, 4.75 A)
&rst
ixpk= 2541, nxpk= 20, iat=1160,1141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2542 66 ILE HA 6.00 (# 2542:20 Single Ambig)
&rst
ixpk= 2542, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1211,1212,1211,1212,1235,1236,
&end
#
# 66 ILE HG1- 66 ILE HA 3.50 (# 2543:20 Unique 2.17, 2.99 A)
&rst
ixpk= 2543, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1149,1150,
&end
#
# 0 AMB 20-2:2544 66 ILE HA 6.00 (# 2544:20 Single Ambig)
&rst
ixpk= 2544, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1124,1125,1162,
&end
#
# 0 AMB 20-2:2545 66 ILE HA 6.00 (# 2545:20 Single Ambig)
&rst
ixpk= 2545, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1124,1125,1168,1169,
&end
#
# 66 ILE QG2 66 ILE HA 3.50 (# 2546:20 Unique 2.50, 3.84 A)
&rst
ixpk= 2546, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1145,1146,1147,
&end
#
# 66 ILE QD1 66 ILE HA 4.50 (# 2547:20 Unique 3.31, 4.27 A)
&rst
ixpk= 2547, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1152,1153,1154,
&end
#
# 67 ILE QG2 66 ILE HA 8.00 (# 2548:20 Unique 5.78, 7.06 A)
&rst
ixpk= 2548, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1164,1165,1166,
&end
#
# 67 ILE HN 66 ILE HG1- 6.00 (# 2549:20 Unique 1.77, 4.48 A)
&rst
ixpk= 2549, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1149,1150,
&end
#
# 67 ILE HN 66 ILE HG1+ 8.00 (# 2550:20 Unique 1.77, 4.48 A)
&rst
ixpk= 2550, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1149,1150,
&end
#
# 66 ILE HN 66 ILE HG1+ 6.00 (# 2551:20 Unique 2.07, 4.39 A)
&rst
ixpk= 2551, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1149,1150,
&end
#
# 66 ILE HN 66 ILE HG1- 4.50 (# 2552:20 Unique 2.07, 4.39 A)
&rst
ixpk= 2552, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:2553 0 AMB 20-1:2553 6.00 (# 2553:20 Double Ambig)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 439,1117,
igr2= 419, 420,1149,1150,
&end
#
# 66 ILE HA 66 ILE HG1- 4.50 (# 2554:20 Unique 2.17, 2.99 A)
&rst
ixpk= 2554, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:2556 0 AMB 20-1:2556 4.50 (# 2556:20 Double Ambig)
&rst
ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1232,1233,2176,2177,
igr2=1149,1150,1149,1150,
&end
#
# 0 AMB 20-2:2557 0 AMB 20-1:2557 3.50 (# 2557:20 Double Ambig)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2181,2182,2183,2185,2186,2187,1145,1146,1147,
igr2=1149,1150,1149,1150,
&end
#
# 66 ILE QD1 66 ILE HG1+ 2.80 (# 2558:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1152,1153,1154,
igr2=1149,1150,
&end
#
# 67 ILE HN 66 ILE QD1 6.00 (# 2560:20 Unique 2.64, 3.97 A)
&rst
ixpk= 2560, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1152,1153,1154,
&end
#
# 71 LEU HG 66 ILE QD1 6.00 (# 2567:20 Unique 4.27, 6.66 A)
&rst
ixpk= 2567, nxpk= 20, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1152,1153,1154,
&end
#
# 67 ILE HG1- 66 ILE QD1 4.50 (# 2568:20 Unique 1.90, 4.97 A)
&rst
ixpk= 2568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1168,1169,
igr2=1152,1153,1154,
&end
#
# 0 AMB 20-2:2570 66 ILE QD1 2.80 (# 2570:20 Single Ambig)
&rst
ixpk= 2570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1168,1169,1149,1150,
igr2=1152,1153,1154,
&end
#
# 67 ILE QG2 66 ILE QD1 6.00 (# 2571:20 Unique 4.45, 6.52 A)
&rst
ixpk= 2571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1164,1165,1166,
igr2=1152,1153,1154,
&end
#
# 63 LEU HA 66 ILE QG2 6.00 (# 2573:20 Unique 1.77, 2.56 A)
&rst
ixpk= 2573, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1145,1146,1147,
&end
#
# 70 ARG HN 67 ILE HA 6.00 (# 2574:20 Unique 3.00, 3.29 A)
&rst
ixpk= 2574, nxpk= 20, iat=1225,1160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 ARG HA 67 ILE HA 8.00 (# 2575:20 Unique 4.69, 4.81 A)
&rst
ixpk= 2575, nxpk= 20, iat=1179,1160, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:2577 67 ILE HA 8.00 (# 2577:20 Single Ambig)
&rst
ixpk= 2577, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 853, 854,1086,
&end
#
# 67 ILE HG1- 67 ILE HA 6.00 (# 2578:20 Unique 2.01, 2.94 A)
&rst
ixpk= 2578, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1168,1169,
&end
#
# 67 ILE HG1+ 67 ILE HA 6.00 (# 2579:20 Unique 2.01, 2.94 A)
&rst
ixpk= 2579, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1168,1169,
&end
#
# 66 ILE QG2 67 ILE HA 6.00 (# 2580:20 Unique 3.08, 4.61 A)
&rst
ixpk= 2580, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1145,1146,1147,
&end
#
# 67 ILE QD1 67 ILE HA 4.50 (# 2582:20 Unique 1.87, 3.38 A)
&rst
ixpk= 2582, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1171,1172,1173,
&end
#
# 0 AMB 20-2:2584 67 ILE HB 3.50 (# 2584:20 Single Ambig)
&rst
ixpk= 2584, nxpk= 20, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1158,1177,
&end
#
# 79 PHE HZ 67 ILE HB 8.00 (# 2585:20 Unique 3.08, 4.90 A)
&rst
ixpk= 2585, nxpk= 20, iat=1381,1162, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:2586 67 ILE HB 6.00 (# 2586:20 Single Ambig)
&rst
ixpk= 2586, nxpk= 20, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1100,1160,
&end
#
# 118 THR MG2 117 GLU HG+ 3.50 (# 2587:20 Unique 2.06, 4.33 A)
&rst
ixpk= 2587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1976,1977,1978,
igr2=1962,1963,
&end
#
# 67 ILE QG2 67 ILE HB 2.80 (# 2588:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2588, nxpk= 20, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1164,1165,1166,
&end
#
# 67 ILE QD1 67 ILE HB 6.00 (# 2589:20 Unique 2.42, 3.40 A)
&rst
ixpk= 2589, nxpk= 20, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1171,1172,1173,
&end
#
# 67 ILE HN 67 ILE HG1- 4.50 (# 2590:20 Unique 2.20, 3.77 A)
&rst
ixpk= 2590, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1168,1169,
&end
#
# 56 ASP HN 31 ILE HG1+ 6.00 (# 2591:20 Unique 2.23, 3.48 A)
&rst
ixpk= 2591, nxpk= 20, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 549, 550,
&end
#
# 67 ILE HA 67 ILE HG1- 6.00 (# 2592:20 Unique 2.01, 2.94 A)
&rst
ixpk= 2592, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1168,1169,
&end
#
# 67 ILE HA 67 ILE HG1+ 6.00 (# 2593:20 Unique 2.01, 2.94 A)
&rst
ixpk= 2593, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1168,1169,
&end
#
# 0 AMB 20-2:2594 67 ILE HG1- 3.50 (# 2594:20 Single Ambig)
&rst
ixpk= 2594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 859, 860,1162,
igr2=1168,1169,
&end
#
# 0 AMB 20-2:2595 0 AMB 20-1:2595 4.50 (# 2595:20 Double Ambig)
&rst
ixpk= 2595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1162,2176,2177,
igr2=1168,1169,1168,1169,
&end
#
# 35 ILE HG1+ 67 ILE HG1- 6.00 (# 2598:20 Unique 4.41, 6.75 A)
&rst
ixpk= 2598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 617, 618,
igr2=1168,1169,
&end
#
# 35 ILE QD1 67 ILE HG1- 8.00 (# 2599:20 Unique 1.97, 4.74 A)
&rst
ixpk= 2599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 620, 621, 622,
igr2=1168,1169,
&end
#
# 0 AMB 20-2:2600 67 ILE QD1 6.00 (# 2600:20 Single Ambig)
&rst
ixpk= 2600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1158,1177,
igr2=1171,1172,1173,
&end
#
# 63 LEU HA 67 ILE QD1 8.00 (# 2604:20 Unique 3.63, 5.55 A)
&rst
ixpk= 2604, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1171,1172,1173,
&end
#
# 67 ILE HA 67 ILE QD1 4.50 (# 2605:20 Unique 1.87, 3.38 A)
&rst
ixpk= 2605, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1171,1172,1173,
&end
#
# 0 AMB 20-2:2606 67 ILE QD1 6.00 (# 2606:20 Single Ambig)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 576,1108,1109,
igr2=1171,1172,1173,
&end
#
# 66 ILE HG1- 67 ILE QD1 6.00 (# 2607:20 Unique 4.32, 6.77 A)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1149,1150,
igr2=1171,1172,1173,
&end
#
# 0 AMB 20-2:2608 67 ILE QD1 6.00 (# 2608:20 Single Ambig)
&rst
ixpk= 2608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 859, 860,2179,1162,
igr2=1171,1172,1173,
&end
#
# 0 AMB 20-2:2609 67 ILE QD1 6.00 (# 2609:20 Single Ambig)
&rst
ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1086, 853, 854,
igr2=1171,1172,1173,
&end
#
# 67 ILE HG1- 67 ILE QD1 3.50 (# 2610:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1168,1169,
igr2=1171,1172,1173,
&end
#
# 67 ILE HG1+ 67 ILE QD1 2.80 (# 2611:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1168,1169,
igr2=1171,1172,1173,
&end
#
# 132 LEU MDY 67 ILE QD1 2.80 (# 2612:20 Unique 1.87, 5.43 A)
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2181,2182,2183,2185,2186,2187,
igr2=1171,1172,1173,
&end
#
# 0 AMB 20-2:2614 67 ILE QG2 6.00 (# 2614:20 Single Ambig)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1177,1158,
igr2=1164,1165,1166,
&end
#
# 0 AMB 20-2:2615 67 ILE QG2 8.00 (# 2615:20 Single Ambig)
&rst
ixpk= 2615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1249,1268,
igr2=1164,1165,1166,
&end
#
# 79 PHE HE 67 ILE QG2 4.50 (# 2617:20 Unique 2.06, 4.58 A)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1379,1383,
igr2=1164,1165,1166,
&end
#
# 79 PHE HZ 67 ILE QG2 4.50 (# 2618:20 Unique 2.23, 3.78 A)
&rst
ixpk= 2618, nxpk= 20, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1164,1165,1166,
&end
#
# 68 ARG HA 67 ILE QG2 6.00 (# 2619:20 Unique 2.85, 3.98 A)
&rst
ixpk= 2619, nxpk= 20, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1164,1165,1166,
&end
#
# 66 ILE HG1- 67 ILE QG2 8.00 (# 2620:20 Unique 5.86, 7.81 A)
&rst
ixpk= 2620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1149,1150,
igr2=1164,1165,1166,
&end
#
# 0 AMB 20-2:2621 67 ILE QG2 3.50 (# 2621:20 Single Ambig)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1162, 859, 860,
igr2=1164,1165,1166,
&end
#
# 67 ILE HG1- 67 ILE QG2 3.50 (# 2622:20 Unique 2.31, 3.38 A)
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1168,1169,
igr2=1164,1165,1166,
&end
#
# 67 ILE HG1+ 67 ILE QG2 4.50 (# 2623:20 Unique 2.31, 3.38 A)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1168,1169,
igr2=1164,1165,1166,
&end
#
# 81 LEU MDY 67 ILE QG2 2.80 (# 2624:20 Unique 1.61, 4.71 A)
&rst
ixpk= 2624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1418,1419,1420,1422,1423,1424,
igr2=1164,1165,1166,
&end
#
# 0 AMB 20-2:2625 67 ILE QG2 6.00 (# 2625:20 Single Ambig)
&rst
ixpk= 2625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1=1088,1089,1090,1092,1093,1094,1152,1153,1154,
igr2=1164,1165,1166,
&end
#
# 71 LEU MDX 67 ILE QG2 2.80 (# 2626:20 Unique 2.00, 4.70 A)
&rst
ixpk= 2626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1258,1259,1260,1262,1263,1264,
igr2=1164,1165,1166,
&end
#
# 35 ILE QD1 67 ILE QG2 6.00 (# 2627:20 Unique 2.12, 4.20 A)
&rst
ixpk= 2627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 620, 621, 622,
igr2=1164,1165,1166,
&end
#
# 68 ARG HN 68 ARG HA 6.00 (# 2629:20 Unique 2.76, 2.82 A)
&rst
ixpk= 2629, nxpk= 20, iat=1177,1179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 ARG HN 68 ARG HA 8.00 (# 2630:20 Unique 4.00, 4.48 A)
&rst
ixpk= 2630, nxpk= 20, iat=1225,1179, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:2631 68 ARG HA 6.00 (# 2631:20 Single Ambig)
&rst
ixpk= 2631, nxpk= 20, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1249,1268,
&end
#
# 0 AMB 20-2:2632 68 ARG HA 6.00 (# 2632:20 Single Ambig)
&rst
ixpk= 2632, nxpk= 20, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1369,1285,
&end
#
# 69 ARG HN 68 ARG HA 6.00 (# 2633:20 Unique 3.52, 3.54 A)
&rst
ixpk= 2633, nxpk= 20, iat=1201,1179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2634 68 ARG HA 6.00 (# 2634:20 Single Ambig)
&rst
ixpk= 2634, nxpk= 20, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1187,1188,1373,1374,
&end
#
# 0 AMB 20-2:2635 68 ARG HA 2.80 (# 2635:20 Single Ambig)
&rst
ixpk= 2635, nxpk= 20, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1181,1182,1181,1182,
&end
#
# 0 AMB 20-2:2636 68 ARG HA 4.50 (# 2636:20 Single Ambig)
&rst
ixpk= 2636, nxpk= 20, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1253,1254,1184,1185,1289,1290,1289,1290,
&end
#
# 64 ILE QG2 68 ARG HA 8.00 (# 2637:20 Unique 4.89, 6.07 A)
&rst
ixpk= 2637, nxpk= 20, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1104,1105,1106,
&end
#
# 0 AMB 20-2:2638 68 ARG HA 6.00 (# 2638:20 Single Ambig)
&rst
ixpk= 2638, nxpk= 20, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,1258,1259,1260,1262,
1263,1264,
&end
#
# 0 AMB 20-2:2639 68 ARG HA 3.50 (# 2639:20 Single Ambig)
&rst
ixpk= 2639, nxpk= 20, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1294,1295,1296,1298,1299,1300,1184,1185,1164,1165,
1166,
&end
#
# 68 ARG HN 0 AMB 20-1:2640 4.50 (# 2640:20 Single Ambig)
&rst
ixpk= 2640, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1181,1182,1181,1182,
&end
#
# 0 AMB 20-2:2642 0 AMB 20-1:2642 8.00 (# 2642:20 Double Ambig)
&rst
ixpk= 2642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1369,1285,
igr2=1181,1182,1181,1182,1181,1182,
&end
#
# 69 ARG HN 0 AMB 20-1:2643 6.00 (# 2643:20 Single Ambig)
&rst
ixpk= 2643, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1181,1182,1181,1182,
&end
#
# 68 ARG HE 0 AMB 20-1:2644 6.00 (# 2644:20 Single Ambig)
&rst
ixpk= 2644, nxpk= 20, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1181,1182,1181,1182,
&end
#
# 65 LYS HA 0 AMB 20-1:2645 6.00 (# 2645:20 Single Ambig)
&rst
ixpk= 2645, nxpk= 20, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1181,1182,1181,1182,
&end
#
# 0 AMB 20-2:2646 0 AMB 20-1:2646 6.00 (# 2646:20 Double Ambig)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1187,1188,1187,1188,
igr2=1181,1182,1181,1182,
&end
#
# 68 ARG HA 0 AMB 20-1:2647 4.50 (# 2647:20 Single Ambig)
&rst
ixpk= 2647, nxpk= 20, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1181,1182,1181,1182,
&end
#
# 0 AMB 20-2:2648 0 AMB 20-1:2648 6.00 (# 2648:20 Double Ambig)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1187,1188,1373,1374,1373,1374,
igr2=1181,1182,1181,1182,1181,1182,
&end
#
# 0 AMB 20-2:2649 0 AMB 20-1:2649 3.50 (# 2649:20 Double Ambig)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1184,1185,1184,1185,1289,1290,
igr2=1181,1182,1181,1182,
&end
#
# 64 ILE QG2 0 AMB 20-1:2650 6.00 (# 2650:20 Single Ambig)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1104,1105,1106,
igr2=1181,1182,1181,1182,
&end
#
# 0 AMB 20-2:2651 0 AMB 20-1:2651 4.50 (# 2651:20 Double Ambig)
&rst
ixpk= 2651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1184,1185,1294,1295,1296,1298,1299,1300,
igr2=1181,1182,1181,1182,
&end
#
# 68 ARG HN 68 ARG HG+ 6.00 (# 2652:20 Unique 4.00, 4.41 A)
&rst
ixpk= 2652, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1184,1185,
&end
#
# 68 ARG HN 68 ARG HG- 6.00 (# 2653:20 Unique 4.00, 4.41 A)
&rst
ixpk= 2653, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1184,1185,
&end
#
# 68 ARG HD+ 68 ARG HG+ 6.00 (# 2654:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1187,1188,
igr2=1184,1185,
&end
#
# 68 ARG HD+ 68 ARG HG- 6.00 (# 2655:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1187,1188,
igr2=1184,1185,
&end
#
# 68 ARG HA 68 ARG HG- 6.00 (# 2656:20 Unique 2.27, 3.17 A)
&rst
ixpk= 2656, nxpk= 20, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1184,1185,
&end
#
# 68 ARG HA 68 ARG HG+ 6.00 (# 2657:20 Unique 2.27, 3.17 A)
&rst
ixpk= 2657, nxpk= 20, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1184,1185,
&end
#
# 0 AMB 20-2:2658 0 AMB 20-1:2658 6.00 (# 2658:20 Double Ambig)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1373,1374,1187,1188,
igr2=1184,1185,1184,1185,
&end
#
# 0 AMB 20-2:2660 68 ARG HG- 4.50 (# 2660:20 Single Ambig)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1181,1182,1181,1182,
igr2=1184,1185,
&end
#
# 0 AMB 20-2:2663 0 AMB 20-1:2663 8.00 (# 2663:20 Double Ambig)
&rst
ixpk= 2663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1177,1158,
igr2=1187,1188,1235,1236,1235,1236,1187,1188,
&end
#
# 0 AMB 20-2:2664 0 AMB 20-1:2664 8.00 (# 2664:20 Double Ambig)
&rst
ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1177,1158,
igr2=1187,1188, 911, 912,
&end
#
# 107 GLY HN 104 ASP HB- 8.00 (# 2665:20 Unique 2.34, 3.63 A)
&rst
ixpk= 2665, nxpk= 20, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1761,1762,
&end
#
# 68 ARG HE 68 ARG HD+ 6.00 (# 2666:20 Unique 2.31, 2.76 A)
&rst
ixpk= 2666, nxpk= 20, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1187,1188,
&end
#
# 79 PHE HE 68 ARG HD+ 6.00 (# 2668:20 Unique 2.30, 5.96 A)
&rst
ixpk= 2668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1379,1383,
igr2=1187,1188,
&end
#
# 113 TYR HE 113 TYR HB+ 6.00 (# 2669:20 Unique 4.63, 5.06 A)
&rst
ixpk= 2669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1906,1911,
igr2=1900,1901,
&end
#
# 0 AMB 20-2:2675 0 AMB 20-1:2675 3.50 (# 2675:20 Double Ambig)
&rst
ixpk= 2675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1181,1182,1181,1182,1232,1233,1208,1209,
igr2=1187,1188,1187,1188,1235,1236,1235,1236,
&end
#
# 0 AMB 20-2:2676 0 AMB 20-1:2676 6.00 (# 2676:20 Double Ambig)
&rst
ixpk= 2676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1289,1290,1184,1185,
igr2=1187,1188,1187,1188,
&end
#
# 0 AMB 20-2:2677 0 AMB 20-1:2677 3.50 (# 2677:20 Double Ambig)
&rst
ixpk= 2677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1181,1182,1181,1182,2176,2177,
igr2=1187,1188, 911, 912,
&end
#
# 0 AMB 20-2:2678 0 AMB 20-1:2678 4.50 (# 2678:20 Double Ambig)
&rst
ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1289,1290,1289,1290,1184,1185,1168,1169,
igr2=1187,1188, 911, 912,
&end
#
# 0 AMB 20-2:2679 68 ARG HD- 8.00 (# 2679:20 Single Ambig)
&rst
ixpk= 2679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1205,1206,1121,1122,
igr2=1187,1188,
&end
#
# 0 AMB 20-2:2680 0 AMB 20-1:2680 6.00 (# 2680:20 Double Ambig)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1104,1105,1106,1832,1833,1834,1836,1837,1838,
igr2=1187,1188,1761,1762,
&end
#
# 0 AMB 20-2:2681 0 AMB 20-1:2681 3.50 (# 2681:20 Double Ambig)
&rst
ixpk= 2681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2181,2182,2183,2185,2186,2187, 578, 579, 580, 582,
583, 584, 578, 579, 580, 582, 583, 584,
igr2= 911, 912, 911, 912, 911, 912,
&end
#
# 0 AMB 20-2:2682 0 AMB 20-1:2682 6.00 (# 2682:20 Double Ambig)
&rst
ixpk= 2682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1294,1295,1296,1298,1299,1300,1184,1185,
igr2=1187,1188,1187,1188,
&end
#
# 0 AMB 20-2:2683 68 ARG HD- 6.00 (# 2683:20 Single Ambig)
&rst
ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1294,1295,1296,1298,1299,1300,1184,1185,
igr2=1187,1188,
&end
#
# 70 ARG HN 69 ARG HA 6.00 (# 2684:20 Unique 3.35, 3.50 A)
&rst
ixpk= 2684, nxpk= 20, iat=1225,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2685 69 ARG HA 6.00 (# 2685:20 Single Ambig)
&rst
ixpk= 2685, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1268,1249,
&end
#
# 0 AMB 20-2:2686 69 ARG HA 6.00 (# 2686:20 Single Ambig)
&rst
ixpk= 2686, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1280,1281,1285,
&end
#
# 69 ARG HN 69 ARG HA 4.50 (# 2687:20 Unique 2.82, 2.90 A)
&rst
ixpk= 2687, nxpk= 20, iat=1201,1203, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2689 69 ARG HA 6.00 (# 2689:20 Single Ambig)
&rst
ixpk= 2689, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1211,1212,1211,1212,
&end
#
# 69 ARG HB+ 69 ARG HA 3.50 (# 2690:20 Unique 2.28, 2.75 A)
&rst
ixpk= 2690, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1205,1206,
&end
#
# 69 ARG HG+ 69 ARG HA 4.50 (# 2691:20 Unique 2.06, 2.84 A)
&rst
ixpk= 2691, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1208,1209,
&end
#
# 69 ARG HG- 69 ARG HA 4.50 (# 2692:20 Unique 2.06, 2.84 A)
&rst
ixpk= 2692, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1208,1209,
&end
#
# 69 ARG HN 69 ARG HB+ 3.50 (# 2693:20 Unique 2.10, 2.67 A)
&rst
ixpk= 2693, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1205,1206,
&end
#
# 0 AMB 20-2:2694 0 AMB 20-1:2694 2.80 (# 2694:20 Double Ambig)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1227, 379,
igr2=1229,1230,1229,1230, 357, 358,1205,1206,
&end
#
# 66 ILE HA 69 ARG HB+ 6.00 (# 2695:20 Unique 2.71, 3.96 A)
&rst
ixpk= 2695, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1205,1206,
&end
#
# 66 ILE HA 0 AMB 20-1:2696 6.00 (# 2696:20 Single Ambig)
&rst
ixpk= 2696, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1205,1206,1229,1230,1229,1230,
&end
#
# 0 AMB 20-2:2697 0 AMB 20-1:2697 3.50 (# 2697:20 Double Ambig)
&rst
ixpk= 2697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1211,1212,1211,1212,1235,1236,
igr2=1205,1206,1229,1230,1229,1230,
&end
#
# 0 AMB 20-2:2698 0 AMB 20-1:2698 2.80 (# 2698:20 Double Ambig)
&rst
ixpk= 2698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1208,1209,1232,1233,
igr2=1205,1206,1205,1206,
&end
#
# 0 AMB 20-2:2699 0 AMB 20-1:2699 2.80 (# 2699:20 Double Ambig)
&rst
ixpk= 2699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1208,1209,1232,1233,2176,2177,
igr2=1205,1206,1229,1230,1229,1230,1229,1230,1229,1230,
&end
#
# 0 AMB 20-2:2700 0 AMB 20-1:2700 2.80 (# 2700:20 Double Ambig)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1208,1209, 360, 361,1232,1233,
igr2=1205,1206, 357, 358,1205,1206,
&end
#
# 69 ARG HN 0 AMB 20-1:2701 6.00 (# 2701:20 Single Ambig)
&rst
ixpk= 2701, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1211,1212,1211,1212,
&end
#
# 0 AMB 20-2:2702 0 AMB 20-1:2702 6.00 (# 2702:20 Double Ambig)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1214,1238,
igr2=1211,1212,1211,1212,1235,1236,1211,1212,
&end
#
# 10 ARG HG- 0 AMB 20-1:2704 6.00 (# 2704:20 Single Ambig)
&rst
ixpk= 2704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 163, 164,
igr2= 166, 167, 166, 167,
&end
#
# 66 ILE QD1 70 ARG HD- 8.00 (# 2707:20 Unique 2.10, 4.73 A)
&rst
ixpk= 2707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1152,1153,1154,
igr2=1235,1236,
&end
#
# 0 AMB 20-2:2708 70 ARG HA 6.00 (# 2708:20 Single Ambig)
&rst
ixpk= 2708, nxpk= 20, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1249,1268,
&end
#
# 70 ARG HN 0 AMB 20-1:2709 8.00 (# 2709:20 Single Ambig)
&rst
ixpk= 2709, nxpk= 20, iat=1225, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=1208,1209,1232,1233,
&end
#
# 0 AMB 20-2:2710 71 LEU HA 6.00 (# 2710:20 Single Ambig)
&rst
ixpk= 2710, nxpk= 20, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1275,1276,1275,1276,1272,1273,
&end
#
# 0 AMB 20-2:2711 71 LEU HA 6.00 (# 2711:20 Single Ambig)
&rst
ixpk= 2711, nxpk= 20, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 825, 822, 823,
&end
#
# 0 AMB 20-2:2713 71 LEU HA 6.00 (# 2713:20 Single Ambig)
&rst
ixpk= 2713, nxpk= 20, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1232,1233,1292,
&end
#
# 0 AMB 20-2:2715 71 LEU HA 6.00 (# 2715:20 Single Ambig)
&rst
ixpk= 2715, nxpk= 20, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
&end
#
# 0 AMB 20-2:2717 71 LEU HA 6.00 (# 2717:20 Single Ambig)
&rst
ixpk= 2717, nxpk= 20, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1294,1295,1296,1298,1299,1300,1164,1165,1166,
&end
#
# 71 LEU MDX 71 LEU HA 6.00 (# 2718:20 Unique 1.78, 3.78 A)
&rst
ixpk= 2718, nxpk= 20, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2719 0 AMB 20-1:2719 6.00 (# 2719:20 Double Ambig)
&rst
ixpk= 2719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1249,1268,
igr2=1253,1254,1253,1254,
&end
#
# 0 AMB 20-2:2720 71 LEU HB- 6.00 (# 2720:20 Single Ambig)
&rst
ixpk= 2720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1249,1268,
igr2=1253,1254,
&end
#
# 73 LEU HN 71 LEU HB- 8.00 (# 2721:20 Unique 3.00, 4.91 A)
&rst
ixpk= 2721, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1253,1254,
&end
#
# 73 LEU HN 71 LEU HB+ 8.00 (# 2722:20 Unique 3.00, 4.91 A)
&rst
ixpk= 2722, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1253,1254,
&end
#
# 71 LEU HA 71 LEU HB+ 6.00 (# 2723:20 Unique 2.26, 2.69 A)
&rst
ixpk= 2723, nxpk= 20, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1253,1254,
&end
#
# 68 ARG HA 71 LEU HB+ 8.00 (# 2724:20 Unique 2.19, 4.31 A)
&rst
ixpk= 2724, nxpk= 20, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1253,1254,
&end
#
# 68 ARG HA 71 LEU HB- 8.00 (# 2725:20 Unique 2.19, 4.31 A)
&rst
ixpk= 2725, nxpk= 20, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1253,1254,
&end
#
# 0 AMB 20-2:2726 71 LEU HB- 8.00 (# 2726:20 Single Ambig)
&rst
ixpk= 2726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 825, 822, 823,
igr2=1253,1254,
&end
#
# 0 AMB 20-2:2730 71 LEU HB- 6.00 (# 2730:20 Single Ambig)
&rst
ixpk= 2730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1294,1295,1296,1298,1299,1300,1164,1165,1166,
igr2=1253,1254,
&end
#
# 71 LEU MDX 71 LEU HB- 6.00 (# 2731:20 Unique 2.32, 3.32 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1258,1259,1260,1262,1263,1264,
igr2=1253,1254,
&end
#
# 0 AMB 20-2:2732 71 LEU HG 6.00 (# 2732:20 Single Ambig)
&rst
ixpk= 2732, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1251,1227,
&end
#
# 67 ILE QG2 71 LEU HG 6.00 (# 2733:20 Unique 1.98, 3.62 A)
&rst
ixpk= 2733, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1164,1165,1166,
&end
#
# 0 AMB 20-2:2734 71 LEU MDX 6.00 (# 2734:20 Single Ambig)
&rst
ixpk= 2734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1249,1268,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 73 LEU HN 71 LEU MDX 8.00 (# 2735:20 Unique 3.69, 7.38 A)
&rst
ixpk= 2735, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 79 PHE HD 71 LEU MDX 6.00 (# 2736:20 Unique 3.00, 7.48 A)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1377,1385,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 71 LEU HA 71 LEU MDX 6.00 (# 2739:20 Unique 1.78, 3.78 A)
&rst
ixpk= 2739, nxpk= 20, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 68 ARG HA 71 LEU MDX 6.00 (# 2741:20 Unique 2.42, 5.61 A)
&rst
ixpk= 2741, nxpk= 20, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2742 71 LEU MDX 6.00 (# 2742:20 Single Ambig)
&rst
ixpk= 2742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 825, 822, 823,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 49 LYS HD+ 71 LEU MDX 6.00 (# 2744:20 Unique 1.55, 4.11 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 859, 860,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2745 71 LEU MDX 4.50 (# 2745:20 Single Ambig)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 856, 857, 856, 857,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2746 71 LEU MDX 2.80 (# 2746:20 Single Ambig)
&rst
ixpk= 2746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 859, 860, 853, 854,1253,1254,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2747 71 LEU MDX 6.00 (# 2747:20 Single Ambig)
&rst
ixpk= 2747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2749 71 LEU MDX 3.50 (# 2749:20 Single Ambig)
&rst
ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1294,1295,1296,1298,1299,1300,1164,1165,1166,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 48 ASP HN 71 LEU MDY 6.00 (# 2751:20 Unique 3.24, 6.27 A)
&rst
ixpk= 2751, nxpk= 20, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 68 ARG HN 71 LEU MDY 8.00 (# 2752:20 Unique 4.19, 6.64 A)
&rst
ixpk= 2752, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2753 71 LEU MDY 8.00 (# 2753:20 Single Ambig)
&rst
ixpk= 2753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 871, 818,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 113 TYR HD 71 LEU MDY 6.00 (# 2754:20 Unique 3.19, 6.89 A)
&rst
ixpk= 2754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1904,1913,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 113 TYR HE 71 LEU MDY 6.00 (# 2755:20 Unique 1.84, 6.25 A)
&rst
ixpk= 2755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1906,1911,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 113 TYR HB- 71 LEU MDY 6.00 (# 2758:20 Unique 4.04, 7.42 A)
&rst
ixpk= 2758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1900,1901,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2759 71 LEU MDY 6.00 (# 2759:20 Single Ambig)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1272,1273,1272,1273,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 49 LYS HD+ 71 LEU MDY 6.00 (# 2762:20 Unique 1.55, 4.11 A)
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 859, 860,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2763 71 LEU MDY 2.80 (# 2763:20 Single Ambig)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2765 72 GLN HA 6.00 (# 2765:20 Single Ambig)
&rst
ixpk= 2765, nxpk= 20, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1292,1208,1209,
&end
#
# 0 AMB 20-2:2766 72 GLN HA 6.00 (# 2766:20 Single Ambig)
&rst
ixpk= 2766, nxpk= 20, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1253,1254,1289,1290,
&end
#
# 72 GLN HN 72 GLN HB+ 6.00 (# 2767:20 Unique 2.10, 3.26 A)
&rst
ixpk= 2767, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1272,1273,
&end
#
# 72 GLN HN 72 GLN HB- 6.00 (# 2768:20 Unique 2.10, 3.26 A)
&rst
ixpk= 2768, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1272,1273,
&end
#
# 0 AMB 20-2:2769 0 AMB 20-1:2769 6.00 (# 2769:20 Double Ambig)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1285,1280,1281,
igr2=1272,1273,1272,1273,
&end
#
# 0 AMB 20-2:2770 72 GLN HB- 6.00 (# 2770:20 Single Ambig)
&rst
ixpk= 2770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1285,1280,1281,
igr2=1272,1273,
&end
#
# 0 AMB 20-2:2771 72 GLN HB- 8.00 (# 2771:20 Single Ambig)
&rst
ixpk= 2771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1251,1227,
igr2=1272,1273,
&end
#
# 77 GLN HG+ 72 GLN HB+ 6.00 (# 2772:20 Unique 5.24, 7.72 A)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1349,1350,
igr2=1272,1273,
&end
#
# 77 GLN HG+ 72 GLN HB- 6.00 (# 2773:20 Unique 5.24, 7.72 A)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1349,1350,
igr2=1272,1273,
&end
#
# 47 LEU HG 72 GLN HB+ 6.00 (# 2774:20 Unique 1.98, 5.51 A)
&rst
ixpk= 2774, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1272,1273,
&end
#
# 47 LEU HG 72 GLN HB- 6.00 (# 2775:20 Unique 1.98, 5.51 A)
&rst
ixpk= 2775, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1272,1273,
&end
#
# 70 ARG HN 0 AMB 20-1:2776 8.00 (# 2776:20 Single Ambig)
&rst
ixpk= 2776, nxpk= 20, iat=1225, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=1275,1276,1275,1276,
&end
#
# 72 GLN HN 0 AMB 20-1:2777 3.50 (# 2777:20 Single Ambig)
&rst
ixpk= 2777, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1275,1276,1275,1276,
&end
#
# 0 AMB 20-2:2778 0 AMB 20-1:2778 4.50 (# 2778:20 Double Ambig)
&rst
ixpk= 2778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1280,1281,1280,1281,1285,
igr2=1275,1276,1275,1276,1275,1276,
&end
#
# 72 GLN HE2- 0 AMB 20-1:2779 6.00 (# 2779:20 Single Ambig)
&rst
ixpk= 2779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1280,1281,
igr2=1275,1276,1275,1276,
&end
#
# 72 GLN HA 0 AMB 20-1:2780 2.80 (# 2780:20 Single Ambig)
&rst
ixpk= 2780, nxpk= 20, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1275,1276,1275,1276,
&end
#
# 74 ASN HN 73 LEU HA 3.50 (# 2782:20 Unique 2.14, 2.72 A)
&rst
ixpk= 2782, nxpk= 20, iat=1304,1287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2783 73 LEU HA 6.00 (# 2783:20 Single Ambig)
&rst
ixpk= 2783, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1285,1342,
&end
#
# 74 ASN HB+ 73 LEU HA 6.00 (# 2784:20 Unique 3.88, 4.99 A)
&rst
ixpk= 2784, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1308,1309,
&end
#
# 0 AMB 20-2:2785 73 LEU HA 6.00 (# 2785:20 Single Ambig)
&rst
ixpk= 2785, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1346,1347, 792, 793,1272,1273,
&end
#
# 77 GLN HB- 73 LEU HA 8.00 (# 2786:20 Unique 2.38, 4.67 A)
&rst
ixpk= 2786, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1346,1347,
&end
#
# 73 LEU HG 73 LEU HA 6.00 (# 2788:20 Unique 2.36, 2.82 A)
&rst
ixpk= 2788, nxpk= 20, iat=1292,1287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 73 LEU HB- 73 LEU HA 3.50 (# 2790:20 Unique 2.30, 2.71 A)
&rst
ixpk= 2790, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1289,1290,
&end
#
# 73 LEU MDY 73 LEU HA 2.80 (# 2791:20 Unique 2.19, 4.07 A)
&rst
ixpk= 2791, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 73 LEU MDX 73 LEU HA 6.00 (# 2792:20 Unique 2.19, 4.07 A)
&rst
ixpk= 2792, nxpk= 20, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 74 ASN HN 73 LEU HB+ 6.00 (# 2793:20 Unique 2.09, 3.69 A)
&rst
ixpk= 2793, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1289,1290,
&end
#
# 74 ASN HN 73 LEU HB- 6.00 (# 2794:20 Unique 2.09, 3.69 A)
&rst
ixpk= 2794, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1289,1290,
&end
#
# 73 LEU HN 73 LEU HB+ 6.00 (# 2795:20 Unique 2.39, 3.14 A)
&rst
ixpk= 2795, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1289,1290,
&end
#
# 73 LEU HA 73 LEU HB- 6.00 (# 2796:20 Unique 2.30, 2.71 A)
&rst
ixpk= 2796, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1289,1290,
&end
#
# 77 GLN HB+ 73 LEU HB+ 6.00 (# 2797:20 Unique 1.99, 4.66 A)
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1346,1347,
igr2=1289,1290,
&end
#
# 77 GLN HB- 73 LEU HB+ 6.00 (# 2798:20 Unique 1.99, 4.66 A)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1346,1347,
igr2=1289,1290,
&end
#
# 77 GLN HB- 73 LEU HB- 6.00 (# 2799:20 Unique 1.99, 4.66 A)
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1346,1347,
igr2=1289,1290,
&end
#
# 73 LEU HG 73 LEU HB+ 4.50 (# 2800:20 Unique 2.34, 2.77 A)
&rst
ixpk= 2800, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1289,1290,
&end
#
# 73 LEU HG 73 LEU HB- 4.50 (# 2801:20 Unique 2.34, 2.77 A)
&rst
ixpk= 2801, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1289,1290,
&end
#
# 73 LEU MDY 73 LEU HB+ 4.50 (# 2802:20 Unique 2.33, 3.25 A)
&rst
ixpk= 2802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1289,1290,
&end
#
# 73 LEU MDY 73 LEU HB- 3.50 (# 2803:20 Unique 2.33, 3.25 A)
&rst
ixpk= 2803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1289,1290,
&end
#
# 0 AMB 20-2:2804 0 AMB 20-1:2804 4.50 (# 2804:20 Double Ambig)
&rst
ixpk= 2804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1184,1185,1294,1295,1296,1298,1299,1300,
igr2=1289,1290,1289,1290,
&end
#
# 0 AMB 20-2:2805 73 LEU HB- 4.50 (# 2805:20 Single Ambig)
&rst
ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1184,1185,1294,1295,1296,1298,1299,1300,
igr2=1289,1290,
&end
#
# 0 AMB 20-2:2806 73 LEU HG 6.00 (# 2806:20 Single Ambig)
&rst
ixpk= 2806, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1268,1249,
&end
#
# 73 LEU HA 73 LEU HG 8.00 (# 2807:20 Unique 2.36, 2.82 A)
&rst
ixpk= 2807, nxpk= 20, iat=1287,1292, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 73 LEU MDX 73 LEU HG 4.50 (# 2808:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2808, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 71 LEU MDX 73 LEU HG 8.00 (# 2809:20 Unique 3.33, 6.39 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1,1292, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 20-2:2810 58 VAL MGX 3.50 (# 2810:20 Single Ambig)
&rst
ixpk= 2810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1008,1081,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 45 PRO HD- 73 LEU MDY 6.00 (# 2811:20 Unique 1.52, 5.94 A)
&rst
ixpk= 2811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 789, 790,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 77 GLN HG+ 73 LEU MDY 6.00 (# 2812:20 Unique 1.56, 4.36 A)
&rst
ixpk= 2812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1349,1350,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 38 TYR HN 38 TYR HB- 6.00 (# 2814:20 Unique 2.24, 3.00 A)
&rst
ixpk= 2814, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 669, 670,
&end
#
# 38 TYR HA 38 TYR HB- 4.50 (# 2816:20 Unique 2.29, 2.43 A)
&rst
ixpk= 2816, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 669, 670,
&end
#
# 41 GLU HB- 38 TYR HB- 6.00 (# 2817:20 Unique 4.08, 6.84 A)
&rst
ixpk= 2817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 719, 720,
igr2= 669, 670,
&end
#
# 112 VAL HB 38 TYR HB- 6.00 (# 2818:20 Unique 1.92, 3.03 A)
&rst
ixpk= 2818, nxpk= 20, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 669, 670,
&end
#
# 0 AMB 20-2:2819 38 TYR HB- 6.00 (# 2819:20 Single Ambig)
&rst
ixpk= 2819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
igr2= 669, 670,
&end
#
# 76 ASN HN 75 ALA HA 6.00 (# 2820:20 Unique 3.24, 3.42 A)
&rst
ixpk= 2820, nxpk= 20, iat=1328,1320, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2821 75 ALA HA 6.00 (# 2821:20 Single Ambig)
&rst
ixpk= 2821, nxpk= 20, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1342,1337,1338,
&end
#
# 0 AMB 20-2:2825 75 ALA HA 6.00 (# 2825:20 Single Ambig)
&rst
ixpk= 2825, nxpk= 20, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1308,1309,1332,1333,1332,1333,
&end
#
# 75 ALA MB 75 ALA HA 2.80 (# 2826:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2826, nxpk= 20, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1322,1323,1324,
&end
#
# 75 ALA HN 75 ALA MB 3.50 (# 2827:20 Unique 2.47, 2.92 A)
&rst
ixpk= 2827, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1322,1323,1324,
&end
#
# 76 ASN HN 75 ALA MB 4.50 (# 2828:20 Unique 2.24, 3.72 A)
&rst
ixpk= 2828, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1322,1323,1324,
&end
#
# 76 ASN HD2+ 75 ALA MB 6.00 (# 2829:20 Unique 2.76, 7.54 A)
&rst
ixpk= 2829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1337,1338,
igr2=1322,1323,1324,
&end
#
# 76 ASN HN 76 ASN HA 6.00 (# 2832:20 Unique 2.76, 2.89 A)
&rst
ixpk= 2832, nxpk= 20, iat=1328,1330, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2833 76 ASN HA 4.50 (# 2833:20 Single Ambig)
&rst
ixpk= 2833, nxpk= 20, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1332,1333,1332,1333,
&end
#
# 75 ALA MB 76 ASN HA 8.00 (# 2834:20 Unique 4.22, 4.96 A)
&rst
ixpk= 2834, nxpk= 20, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1322,1323,1324,
&end
#
# 76 ASN HN 0 AMB 20-1:2836 3.50 (# 2836:20 Single Ambig)
&rst
ixpk= 2836, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1332,1333,1332,1333,
&end
#
# 76 ASN HD2- 0 AMB 20-1:2837 6.00 (# 2837:20 Single Ambig)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1337,1338,
igr2=1332,1333,1332,1333,
&end
#
# 77 GLN HA 0 AMB 20-1:2838 8.00 (# 2838:20 Single Ambig)
&rst
ixpk= 2838, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=1332,1333,1332,1333,
&end
#
# 75 ALA HA 0 AMB 20-1:2839 8.00 (# 2839:20 Single Ambig)
&rst
ixpk= 2839, nxpk= 20, iat=1320, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=1332,1333,1332,1333,
&end
#
# 77 GLN HG- 0 AMB 20-1:2840 6.00 (# 2840:20 Single Ambig)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1349,1350,
igr2=1332,1333,1332,1333,
&end
#
# 75 ALA MB 0 AMB 20-1:2841 6.00 (# 2841:20 Single Ambig)
&rst
ixpk= 2841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1322,1323,1324,
igr2=1332,1333,1332,1333,
&end
#
# 74 ASN HB+ 77 GLN HB+ 8.00 (# 2842:20 Unique 1.99, 4.08 A)
&rst
ixpk= 2842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1308,1309,
igr2=1346,1347,
&end
#
# 0 AMB 20-2:2843 0 AMB 20-1:2843 6.00 (# 2843:20 Double Ambig)
&rst
ixpk= 2843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1308,1309, 74, 75,
igr2=1346,1347, 143, 144,
&end
#
# 74 ASN HB- 77 GLN HB+ 6.00 (# 2844:20 Unique 1.99, 4.08 A)
&rst
ixpk= 2844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1308,1309,
igr2=1346,1347,
&end
#
# 74 ASN HN 77 GLN HG+ 8.00 (# 2845:20 Unique 2.84, 4.37 A)
&rst
ixpk= 2845, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1349,1350,
&end
#
# 74 ASN HN 77 GLN HG- 8.00 (# 2846:20 Unique 2.84, 4.37 A)
&rst
ixpk= 2846, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1349,1350,
&end
#
# 78 ALA HN 77 GLN HG- 6.00 (# 2847:20 Unique 2.06, 3.25 A)
&rst
ixpk= 2847, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1349,1350,
&end
#
# 78 ALA HN 77 GLN HG+ 6.00 (# 2848:20 Unique 2.06, 3.25 A)
&rst
ixpk= 2848, nxpk= 20, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1349,1350,
&end
#
# 6 THR HN 0 AMB 20-1:2849 6.00 (# 2849:20 Single Ambig)
&rst
ixpk= 2849, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 146, 147, 146, 147,
&end
#
# 77 GLN HE2+ 77 GLN HG- 4.50 (# 2850:20 Unique 2.15, 3.36 A)
&rst
ixpk= 2850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1354,1355,
igr2=1349,1350,
&end
#
# 15 GLN HN 15 GLN HG- 8.00 (# 2851:20 Unique 2.21, 3.00 A)
&rst
ixpk= 2851, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 260, 261,
&end
#
# 0 AMB 20-2:2852 0 AMB 20-1:2852 3.50 (# 2852:20 Double Ambig)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 265, 266,1342,
igr2= 260, 261,1349,1350,
&end
#
# 77 GLN HE2- 77 GLN HG- 3.50 (# 2853:20 Unique 2.15, 3.36 A)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1354,1355,
igr2=1349,1350,
&end
#
# 76 ASN HD2- 77 GLN HG+ 6.00 (# 2856:20 Unique 5.90, 7.23 A)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1337,1338,
igr2=1349,1350,
&end
#
# 15 GLN HE2- 15 GLN HG- 6.00 (# 2857:20 Unique 2.15, 3.22 A)
&rst
ixpk= 2857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 265, 266,
igr2= 260, 261,
&end
#
# 0 AMB 20-2:2858 0 AMB 20-1:2858 4.50 (# 2858:20 Double Ambig)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1722, 771,
igr2=1727,1728,1349,1350,
&end
#
# 12 THR HB 15 GLN HG- 6.00 (# 2859:20 Unique 5.34, 6.69 A)
&rst
ixpk= 2859, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 260, 261,
&end
#
# 0 AMB 20-2:2860 0 AMB 20-1:2860 4.50 (# 2860:20 Double Ambig)
&rst
ixpk= 2860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1344,1287,
igr2=1349,1350,1349,1350,
&end
#
# 98 VAL HA 102 GLU HG+ 8.00 (# 2861:20 Unique 2.68, 4.04 A)
&rst
ixpk= 2861, nxpk= 20, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1727,1728,
&end
#
# 102 GLU HB- 102 GLU HG+ 3.50 (# 2862:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1724,1725,
igr2=1727,1728,
&end
#
# 0 AMB 20-2:2863 0 AMB 20-1:2863 3.50 (# 2863:20 Double Ambig)
&rst
ixpk= 2863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 298, 384, 773, 774, 360, 361, 360, 361,
igr2= 317, 318, 317, 318, 317, 318,1349,1350, 317, 318,
&end
#
# 0 AMB 20-2:2864 0 AMB 20-1:2864 3.50 (# 2864:20 Double Ambig)
&rst
ixpk= 2864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 778, 779, 780, 782, 783, 784, 187, 188,
igr2=1349,1350, 260, 261,
&end
#
# 0 AMB 20-2:2865 0 AMB 20-1:2865 2.80 (# 2865:20 Double Ambig)
&rst
ixpk= 2865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,1832,1833,1834,1836,1837,1838,
igr2=1727,1728,1727,1728,1727,1728,
&end
#
# 17 VAL MGX 0 AMB 20-1:2866 6.00 (# 2866:20 Single Ambig)
&rst
ixpk= 2866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 300, 301, 302, 304, 305, 306,
igr2= 317, 318, 317, 318,
&end
#
# 73 LEU MDY 77 GLN HG- 6.00 (# 2867:20 Unique 1.56, 4.36 A)
&rst
ixpk= 2867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1349,1350,
&end
#
# 73 LEU MDX 77 GLN HG+ 6.00 (# 2868:20 Unique 1.56, 4.36 A)
&rst
ixpk= 2868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1349,1350,
&end
#
# 73 LEU MDX 77 GLN HG- 6.00 (# 2869:20 Unique 1.56, 4.36 A)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1349,1350,
&end
#
# 80 PHE HE 78 ALA HA 6.00 (# 2870:20 Unique 4.19, 6.53 A)
&rst
ixpk= 2870, nxpk= 20, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1399,1403,
&end
#
# 79 PHE HD 78 ALA HA 8.00 (# 2872:20 Unique 3.28, 6.21 A)
&rst
ixpk= 2872, nxpk= 20, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1377,1385,
&end
#
# 79 PHE HA 78 ALA HA 6.00 (# 2873:20 Unique 4.38, 4.45 A)
&rst
ixpk= 2873, nxpk= 20, iat=1371,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2875 78 ALA HA 8.00 (# 2875:20 Single Ambig)
&rst
ixpk= 2875, nxpk= 20, iat= -1,1361, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1187,1188,1373,1374,
&end
#
# 79 PHE HB- 78 ALA HA 8.00 (# 2876:20 Unique 3.93, 4.55 A)
&rst
ixpk= 2876, nxpk= 20, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1373,1374,
&end
#
# 80 PHE HN 78 ALA MB 8.00 (# 2879:20 Unique 4.73, 6.33 A)
&rst
ixpk= 2879, nxpk= 20, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1363,1364,1365,
&end
#
# 77 GLN HE2+ 78 ALA MB 6.00 (# 2880:20 Unique 3.85, 6.69 A)
&rst
ixpk= 2880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1354,1355,
igr2=1363,1364,1365,
&end
#
# 77 GLN HE2- 78 ALA MB 6.00 (# 2881:20 Unique 3.85, 6.69 A)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1354,1355,
igr2=1363,1364,1365,
&end
#
# 0 AMB 20-2:2883 78 ALA MB 8.00 (# 2883:20 Single Ambig)
&rst
ixpk= 2883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1393,1394,1373,1374,
igr2=1363,1364,1365,
&end
#
# 80 PHE HN 79 PHE HA 3.50 (# 2884:20 Unique 2.13, 2.24 A)
&rst
ixpk= 2884, nxpk= 20, iat=1389,1371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 PHE HN 79 PHE HA 6.00 (# 2885:20 Unique 2.88, 2.93 A)
&rst
ixpk= 2885, nxpk= 20, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2886 79 PHE HA 4.50 (# 2886:20 Single Ambig)
&rst
ixpk= 2886, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1377,1385,1397,1405,
&end
#
# 79 PHE HB+ 79 PHE HA 6.00 (# 2887:20 Unique 2.21, 2.59 A)
&rst
ixpk= 2887, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1373,1374,
&end
#
# 79 PHE HB- 79 PHE HA 6.00 (# 2888:20 Unique 2.21, 2.59 A)
&rst
ixpk= 2888, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1373,1374,
&end
#
# 0 AMB 20-2:2889 79 PHE HA 8.00 (# 2889:20 Single Ambig)
&rst
ixpk= 2889, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1=1363,1364,1365,1181,1182,1181,1182,
&end
#
# 44 LEU MDX 79 PHE HA 6.00 (# 2890:20 Unique 2.26, 4.53 A)
&rst
ixpk= 2890, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 73 LEU MDX 79 PHE HA 8.00 (# 2891:20 Unique 2.65, 5.06 A)
&rst
ixpk= 2891, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 80 PHE HN 79 PHE HB+ 6.00 (# 2892:20 Unique 2.55, 3.92 A)
&rst
ixpk= 2892, nxpk= 20, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1373,1374,
&end
#
# 80 PHE HN 79 PHE HB- 6.00 (# 2893:20 Unique 2.55, 3.92 A)
&rst
ixpk= 2893, nxpk= 20, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1373,1374,
&end
#
# 0 AMB 20-2:2894 0 AMB 20-1:2894 6.00 (# 2894:20 Double Ambig)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1369,1285,
igr2=1373,1374,1373,1374,
&end
#
# 0 AMB 20-2:2895 79 PHE HB- 6.00 (# 2895:20 Single Ambig)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1369,1285,
igr2=1373,1374,
&end
#
# 79 PHE HE 0 AMB 20-1:2896 6.00 (# 2896:20 Single Ambig)
&rst
ixpk= 2896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1379,1383,
igr2=1373,1374,1393,1394,
&end
#
# 79 PHE HE 79 PHE HB- 6.00 (# 2897:20 Unique 4.61, 5.04 A)
&rst
ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1379,1383,
igr2=1373,1374,
&end
#
# 79 PHE HD 79 PHE HB- 3.50 (# 2898:20 Unique 2.30, 3.04 A)
&rst
ixpk= 2898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1377,1385,
igr2=1373,1374,
&end
#
# 79 PHE HA 79 PHE HB- 6.00 (# 2899:20 Unique 2.21, 2.59 A)
&rst
ixpk= 2899, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1373,1374,
&end
#
# 64 ILE QG2 79 PHE HB- 8.00 (# 2902:20 Unique 4.79, 7.63 A)
&rst
ixpk= 2902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1104,1105,1106,
igr2=1373,1374,
&end
#
# 0 AMB 20-2:2903 0 AMB 20-1:2903 3.50 (# 2903:20 Double Ambig)
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1294,1295,1296,1298,1299,1300,1184,1185,1745,1746,
igr2=1373,1374,1373,1374,1748,1749,
&end
#
# 0 AMB 20-2:2904 79 PHE HB- 6.00 (# 2904:20 Single Ambig)
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1294,1295,1296,1298,1299,1300,1184,1185,
igr2=1373,1374,
&end
#
# 0 AMB 20-2:2905 80 PHE HA 6.00 (# 2905:20 Single Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1389,1917,
&end
#
# 0 AMB 20-2:2906 0 AMB 20-1:2906 4.50 (# 2906:20 Double Ambig)
&rst
ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2004, 337,
igr2=1986, 327,
&end
#
# 116 GLN HE2+ 119 PHE HA 6.00 (# 2907:20 Unique 3.33, 5.86 A)
&rst
ixpk= 2907, nxpk= 20, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1950,1951,
&end
#
# 80 PHE HE 80 PHE HA 8.00 (# 2908:20 Unique 4.40, 5.16 A)
&rst
ixpk= 2908, nxpk= 20, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1399,1403,
&end
#
# 116 GLN HG+ 119 PHE HA 6.00 (# 2909:20 Unique 2.64, 4.82 A)
&rst
ixpk= 2909, nxpk= 20, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1945,1946,
&end
#
# 0 AMB 20-2:2910 80 PHE HA 6.00 (# 2910:20 Single Ambig)
&rst
ixpk= 2910, nxpk= 20, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 63 LEU HB- 60 MET HA 6.00 (# 2911:20 Unique 2.08, 4.43 A)
&rst
ixpk= 2911, nxpk= 20, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1083,1084,
&end
#
# 0 AMB 20-2:2912 80 PHE HA 6.00 (# 2912:20 Single Ambig)
&rst
ixpk= 2912, nxpk= 20, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
igr1=1413,1414,1435, 778, 779, 780, 782, 783, 784,1959,
1960,
&end
#
# 0 AMB 20-2:2913 80 PHE HA 6.00 (# 2913:20 Single Ambig)
&rst
ixpk= 2913, nxpk= 20, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 20-2:2914 80 PHE HB- 4.50 (# 2914:20 Single Ambig)
&rst
ixpk= 2914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1389,1917,
igr2=1393,1394,
&end
#
# 81 LEU HN 80 PHE HB- 6.00 (# 2915:20 Unique 2.57, 3.75 A)
&rst
ixpk= 2915, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1393,1394,
&end
#
# 80 PHE HE 80 PHE HB- 6.00 (# 2916:20 Unique 4.61, 5.05 A)
&rst
ixpk= 2916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1399,1403,
igr2=1393,1394,
&end
#
# 80 PHE HD 80 PHE HB- 3.50 (# 2917:20 Unique 2.31, 3.05 A)
&rst
ixpk= 2917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1397,1405,
igr2=1393,1394,
&end
#
# 113 TYR HD 80 PHE HB- 8.00 (# 2918:20 Unique 4.73, 7.51 A)
&rst
ixpk= 2918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1904,1913,
igr2=1393,1394,
&end
#
# 0 AMB 20-2:2919 80 PHE HB- 4.50 (# 2919:20 Single Ambig)
&rst
ixpk= 2919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1391,1504,
igr2=1393,1394,
&end
#
# 117 GLU HA 80 PHE HB- 6.00 (# 2920:20 Unique 3.89, 4.83 A)
&rst
ixpk= 2920, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1393,1394,
&end
#
# 0 AMB 20-2:2922 80 PHE HB- 6.00 (# 2922:20 Single Ambig)
&rst
ixpk= 2922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=1962,1963,1921,1922,1923,1432,1433,
igr2=1393,1394,
&end
#
# 0 AMB 20-2:2923 80 PHE HB- 6.00 (# 2923:20 Single Ambig)
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1435, 778, 779, 780, 782, 783, 784,1413,1414,
igr2=1393,1394,
&end
#
# 0 AMB 20-2:2924 80 PHE HB- 6.00 (# 2924:20 Single Ambig)
&rst
ixpk= 2924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1393,1394,
&end
#
# 82 LEU HN 81 LEU HB+ 8.00 (# 2925:20 Unique 2.75, 4.08 A)
&rst
ixpk= 2925, nxpk= 20, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1413,1414,
&end
#
# 82 LEU HN 81 LEU HB- 8.00 (# 2926:20 Unique 2.75, 4.08 A)
&rst
ixpk= 2926, nxpk= 20, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1413,1414,
&end
#
# 113 TYR HN 81 LEU HB- 8.00 (# 2927:20 Unique 6.59, 7.71 A)
&rst
ixpk= 2927, nxpk= 20, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1413,1414,
&end
#
# 81 LEU HN 81 LEU HB+ 6.00 (# 2928:20 Unique 2.17, 2.87 A)
&rst
ixpk= 2928, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1413,1414,
&end
#
# 79 PHE HE 81 LEU HB+ 8.00 (# 2929:20 Unique 1.98, 5.35 A)
&rst
ixpk= 2929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1379,1383,
igr2=1413,1414,
&end
#
# 79 PHE HE 81 LEU HB- 6.00 (# 2930:20 Unique 1.98, 5.35 A)
&rst
ixpk= 2930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1379,1383,
igr2=1413,1414,
&end
#
# 81 LEU HA 81 LEU HB+ 6.00 (# 2931:20 Unique 2.39, 2.77 A)
&rst
ixpk= 2931, nxpk= 20, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1413,1414,
&end
#
# 81 LEU HA 81 LEU HB- 6.00 (# 2932:20 Unique 2.39, 2.77 A)
&rst
ixpk= 2932, nxpk= 20, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1413,1414,
&end
#
# 0 AMB 20-2:2933 0 AMB 20-1:2933 8.00 (# 2933:20 Double Ambig)
&rst
ixpk= 2933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1=1391,1504,1038,
igr2=1413,1414,1413,1414,1413,1414,
&end
#
# 0 AMB 20-2:2936 0 AMB 20-1:2936 6.00 (# 2936:20 Double Ambig)
&rst
ixpk= 2936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1047,1048,1049,1867,1868,1867,1868,1102,
igr2=1413,1414,1413,1414,1413,1414,1413,1414,
&end
#
# 81 LEU HG 81 LEU HB+ 4.50 (# 2938:20 Unique 2.32, 2.66 A)
&rst
ixpk= 2938, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1413,1414,
&end
#
# 0 AMB 20-2:2939 81 LEU HB- 6.00 (# 2939:20 Single Ambig)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1047,1048,1049,1867,1868,1867,1868,1102,
igr2=1413,1414,
&end
#
# 81 LEU HG 81 LEU HB- 4.50 (# 2943:20 Unique 2.32, 2.66 A)
&rst
ixpk= 2943, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1413,1414,
&end
#
# 64 ILE QD1 81 LEU HB+ 4.50 (# 2945:20 Unique 2.31, 4.50 A)
&rst
ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1111,1112,1113,
igr2=1413,1414,
&end
#
# 64 ILE QD1 81 LEU HB- 4.50 (# 2946:20 Unique 2.31, 4.50 A)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1111,1112,1113,
igr2=1413,1414,
&end
#
# 0 AMB 20-2:2947 81 LEU HB- 2.80 (# 2947:20 Single Ambig)
&rst
ixpk= 2947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
1423,1424,
igr2=1413,1414,
&end
#
# 82 LEU HN 81 LEU HA 6.00 (# 2948:20 Unique 2.13, 2.17 A)
&rst
ixpk= 2948, nxpk= 20, iat=1428,1411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 LEU HN 81 LEU HG 6.00 (# 2950:20 Unique 4.29, 4.85 A)
&rst
ixpk= 2950, nxpk= 20, iat=1428,1416, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 79 PHE HE 81 LEU HG 8.00 (# 2951:20 Unique 1.98, 4.12 A)
&rst
ixpk= 2951, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1379,1383,
&end
#
# 81 LEU HA 81 LEU HG 6.00 (# 2952:20 Unique 2.36, 2.96 A)
&rst
ixpk= 2952, nxpk= 20, iat=1411,1416, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2953 81 LEU HG 2.80 (# 2953:20 Single Ambig)
&rst
ixpk= 2953, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
1423,1424,
&end
#
# 82 LEU HN 81 LEU MDX 8.00 (# 2954:20 Unique 2.29, 4.97 A)
&rst
ixpk= 2954, nxpk= 20, iat=1428, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 0 AMB 20-2:2955 81 LEU MDX 6.00 (# 2955:20 Single Ambig)
&rst
ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1098,1158,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 0 AMB 20-2:2956 81 LEU MDX 6.00 (# 2956:20 Single Ambig)
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1409,1896,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 79 PHE HE 81 LEU MDX 6.00 (# 2957:20 Unique 1.55, 5.23 A)
&rst
ixpk= 2957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1379,1383,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 79 PHE HZ 81 LEU MDX 6.00 (# 2958:20 Unique 1.67, 4.41 A)
&rst
ixpk= 2958, nxpk= 20, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 113 TYR HA 81 LEU MDX 8.00 (# 2959:20 Unique 2.29, 5.06 A)
&rst
ixpk= 2959, nxpk= 20, iat=1898, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 64 ILE HA 81 LEU MDX 6.00 (# 2960:20 Unique 1.68, 4.51 A)
&rst
ixpk= 2960, nxpk= 20, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 113 TYR HB+ 81 LEU MDX 6.00 (# 2961:20 Unique 1.75, 5.69 A)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1900,1901,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 52 PHE HB- 81 LEU MDX 6.00 (# 2962:20 Unique 4.74, 7.43 A)
&rst
ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 911, 912,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 63 LEU HB+ 81 LEU MDX 6.00 (# 2963:20 Unique 2.81, 7.03 A)
&rst
ixpk= 2963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1083,1084,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 81 LEU HB+ 81 LEU MDX 3.50 (# 2964:20 Unique 2.32, 3.32 A)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1413,1414,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 81 LEU HG 81 LEU MDX 2.80 (# 2965:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2965, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 0 AMB 20-2:2966 81 LEU MDX 3.50 (# 2966:20 Single Ambig)
&rst
ixpk= 2966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1168,1169,1413,1414,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 82 LEU HN 81 LEU MDY 6.00 (# 2967:20 Unique 2.29, 4.97 A)
&rst
ixpk= 2967, nxpk= 20, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 81 LEU HA 81 LEU MDY 4.50 (# 2968:20 Unique 1.80, 3.69 A)
&rst
ixpk= 2968, nxpk= 20, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 81 LEU HB+ 81 LEU MDY 2.80 (# 2969:20 Unique 2.32, 3.32 A)
&rst
ixpk= 2969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1413,1414,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 81 LEU HG 81 LEU MDY 2.80 (# 2970:20 Unique 2.44, 2.64 A)
&rst
ixpk= 2970, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 111 MET HN 111 MET HA 6.00 (# 2972:20 Unique 2.96, 2.97 A)
&rst
ixpk= 2972, nxpk= 20, iat=1863,1865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2973 111 MET HA 8.00 (# 2973:20 Single Ambig)
&rst
ixpk= 2973, nxpk= 20, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1842,1428,
&end
#
# 112 VAL HN 111 MET HA 2.80 (# 2974:20 Unique 2.13, 2.16 A)
&rst
ixpk= 2974, nxpk= 20, iat=1880,1865, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2975 111 MET HA 8.00 (# 2975:20 Single Ambig)
&rst
ixpk= 2975, nxpk= 20, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 609,1844,
&end
#
# 83 VAL HA 111 MET HA 3.50 (# 2976:20 Unique 1.99, 2.67 A)
&rst
ixpk= 2976, nxpk= 20, iat=1449,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2977 111 MET HA 4.50 (# 2977:20 Single Ambig)
&rst
ixpk= 2977, nxpk= 20, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1870,1871,1870,1871,
&end
#
# 0 AMB 20-2:2978 111 MET HA 3.50 (# 2978:20 Single Ambig)
&rst
ixpk= 2978, nxpk= 20, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1867,1868,1867,1868,
&end
#
# 111 MET ME 111 MET HA 6.00 (# 2979:20 Unique 4.89, 5.57 A)
&rst
ixpk= 2979, nxpk= 20, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1874,1875,1876,
&end
#
# 0 AMB 20-2:2980 111 MET HA 6.00 (# 2980:20 Single Ambig)
&rst
ixpk= 2980, nxpk= 20, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1827,1828,1432,1433,1830,
&end
#
# 0 AMB 20-2:2981 111 MET HA 4.50 (# 2981:20 Single Ambig)
&rst
ixpk= 2981, nxpk= 20, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1453,1454,1455,1457,1458,1459,1886,1887,1888,1890,
1891,1892,
&end
#
# 0 AMB 20-2:2982 111 MET HA 6.00 (# 2982:20 Single Ambig)
&rst
ixpk= 2982, nxpk= 20, iat= -1,1865, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,1418,1419,1420,1422,1423,1424,1418,1419,
1420,1422,1423,1424,
&end
#
# 35 ILE HG1+ 111 MET HA 8.00 (# 2983:20 Unique 5.31, 7.01 A)
&rst
ixpk= 2983, nxpk= 20, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 617, 618,
&end
#
# 34 ILE QG2 111 MET HA 8.00 (# 2984:20 Unique 5.34, 7.55 A)
&rst
ixpk= 2984, nxpk= 20, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 594, 595, 596,
&end
#
# 82 LEU HN 82 LEU HB+ 6.00 (# 2985:20 Unique 2.22, 3.19 A)
&rst
ixpk= 2985, nxpk= 20, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1432,1433,
&end
#
# 82 LEU HN 82 LEU HB- 6.00 (# 2986:20 Unique 2.22, 3.19 A)
&rst
ixpk= 2986, nxpk= 20, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1432,1433,
&end
#
# 0 AMB 20-2:2987 0 AMB 20-1:2987 6.00 (# 2987:20 Double Ambig)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1477,1447,
igr2=1432,1433,1432,1433,
&end
#
# 86 HIS HN 82 LEU HB- 6.00 (# 2988:20 Unique 2.05, 2.97 A)
&rst
ixpk= 2988, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1432,1433,
&end
#
# 82 LEU HA 82 LEU HB+ 6.00 (# 2989:20 Unique 2.20, 2.65 A)
&rst
ixpk= 2989, nxpk= 20, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1432,1433,
&end
#
# 85 GLY HA- 82 LEU HB- 8.00 (# 2990:20 Unique 2.57, 4.00 A)
&rst
ixpk= 2990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1479,1480,
igr2=1432,1433,
&end
#
# 112 VAL HB 82 LEU HB+ 6.00 (# 2991:20 Unique 2.00, 4.49 A)
&rst
ixpk= 2991, nxpk= 20, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1432,1433,
&end
#
# 112 VAL HB 82 LEU HB- 6.00 (# 2992:20 Unique 2.00, 4.49 A)
&rst
ixpk= 2992, nxpk= 20, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1432,1433,
&end
#
# 0 AMB 20-2:2999 82 LEU HB- 3.50 (# 2999:20 Single Ambig)
&rst
ixpk= 2999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1432,1433,
&end
#
# 82 LEU HN 82 LEU HG 6.00 (# 3000:20 Unique 1.83, 2.93 A)
&rst
ixpk= 3000, nxpk= 20, iat=1428,1435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3001 82 LEU HG 6.00 (# 3001:20 Single Ambig)
&rst
ixpk= 3001, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1447,1477, 665,
&end
#
# 113 TYR HD 82 LEU HG 6.00 (# 3004:20 Unique 4.16, 7.63 A)
&rst
ixpk= 3004, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1904,1913,
&end
#
# 82 LEU HA 82 LEU HG 6.00 (# 3005:20 Unique 2.37, 2.99 A)
&rst
ixpk= 3005, nxpk= 20, iat=1430,1435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3007 82 LEU HG 8.00 (# 3007:20 Single Ambig)
&rst
ixpk= 3007, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1506,1507,1506,1507,
&end
#
# 0 AMB 20-2:3008 82 LEU HG 3.50 (# 3008:20 Single Ambig)
&rst
ixpk= 3008, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1432,1433,1921,1922,1923,1962,1963,
&end
#
# 0 AMB 20-2:3009 82 LEU HG 2.80 (# 3009:20 Single Ambig)
&rst
ixpk= 3009, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1886,1887,1888,1890,1891,1892,1432,1433,
&end
#
# 0 AMB 20-2:3010 82 LEU HG 2.80 (# 3010:20 Single Ambig)
&rst
ixpk= 3010, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 20-2:3011 0 AMB 20-1:3011 6.00 (# 3011:20 Double Ambig)
&rst
ixpk= 3011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1447,1477, 665,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 114 ALA HN 0 AMB 20-1:3012 8.00 (# 3012:20 Single Ambig)
&rst
ixpk= 3012, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 20-2:3013 0 AMB 20-1:3013 6.00 (# 3013:20 Double Ambig)
&rst
ixpk= 3013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 673, 682,1970,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 20-2:3016 0 AMB 20-1:3016 6.00 (# 3016:20 Double Ambig)
&rst
ixpk= 3016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1393,1394,1393,1394,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 80 PHE HB- 0 AMB 20-1:3017 6.00 (# 3017:20 Single Ambig)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1393,1394,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 117 GLU HG+ 82 LEU MDY 6.00 (# 3018:20 Unique 1.97, 6.56 A)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1962,1963,
igr2=1437,1438,1439,1441,1442,1443,
&end
#
# 0 AMB 20-2:3019 0 AMB 20-1:3019 2.80 (# 3019:20 Double Ambig)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1921,1922,1923,1962,1963,1432,1433,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 20-2:3020 0 AMB 20-1:3020 2.80 (# 3020:20 Double Ambig)
&rst
ixpk= 3020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1886,1887,1888,1890,1891,1892,1432,1433,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 20-2:3022 83 VAL HA 6.00 (# 3022:20 Single Ambig)
&rst
ixpk= 3022, nxpk= 20, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1447,1477,
&end
#
# 93 THR HN 93 THR HA 6.00 (# 3023:20 Unique 2.87, 2.94 A)
&rst
ixpk= 3023, nxpk= 20, iat=1584,1586, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 MET HA 83 VAL HA 6.00 (# 3024:20 Unique 1.99, 2.67 A)
&rst
ixpk= 3024, nxpk= 20, iat=1865,1449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3025 93 THR HA 6.00 (# 3025:20 Single Ambig)
&rst
ixpk= 3025, nxpk= 20, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1599,1600,1588,
&end
#
# 0 AMB 20-2:3026 83 VAL HA 6.00 (# 3026:20 Single Ambig)
&rst
ixpk= 3026, nxpk= 20, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1870,1871,1870,1871,
&end
#
# 0 AMB 20-2:3027 93 THR HA 6.00 (# 3027:20 Single Ambig)
&rst
ixpk= 3027, nxpk= 20, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1602,1603,1605,1606,1646,1647,1646,1647,
&end
#
# 83 VAL HB 83 VAL HA 6.00 (# 3028:20 Unique 2.38, 2.40 A)
&rst
ixpk= 3028, nxpk= 20, iat=1451,1449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 THR MG2 93 THR HA 4.50 (# 3029:20 Unique 3.22, 3.76 A)
&rst
ixpk= 3029, nxpk= 20, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1590,1591,1592,
&end
#
# 82 LEU HA 83 VAL HB 6.00 (# 3030:20 Unique 4.55, 4.73 A)
&rst
ixpk= 3030, nxpk= 20, iat=1430,1451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 VAL HA 83 VAL HB 6.00 (# 3031:20 Unique 2.38, 2.40 A)
&rst
ixpk= 3031, nxpk= 20, iat=1449,1451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3032 83 VAL HB 6.00 (# 3032:20 Single Ambig)
&rst
ixpk= 3032, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1520,1521,1520,1521,
&end
#
# 0 AMB 20-2:3033 0 AMB 20-1:3033 2.80 (# 3033:20 Double Ambig)
&rst
ixpk= 3033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 948, 628,
igr2= 952, 953, 954, 956, 957, 958, 808, 809, 810, 812,
813, 814,
&end
#
# 83 VAL HA 0 AMB 20-1:3034 2.80 (# 3034:20 Single Ambig)
&rst
ixpk= 3034, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 0 AMB 20-2:3035 0 AMB 20-1:3035 6.00 (# 3035:20 Double Ambig)
&rst
ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
igr1=1614,1479,1480,1479,1480,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 98 VAL HA 0 AMB 20-1:3036 6.00 (# 3036:20 Single Ambig)
&rst
ixpk= 3036, nxpk= 20, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 0 AMB 20-2:3037 0 AMB 20-1:3037 2.80 (# 3037:20 Double Ambig)
&rst
ixpk= 3037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1047,1048,1049,1517,1518,1451,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 84 ASN HN 84 ASN HA 3.50 (# 3038:20 Unique 2.30, 2.30 A)
&rst
ixpk= 3038, nxpk= 20, iat=1463,1465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 MET HA 84 ASN HA 6.00 (# 3040:20 Unique 3.18, 3.76 A)
&rst
ixpk= 3040, nxpk= 20, iat=1865,1465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 ASN HB+ 84 ASN HA 4.50 (# 3041:20 Unique 2.50, 2.80 A)
&rst
ixpk= 3041, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1467,1468,
&end
#
# 84 ASN HB- 84 ASN HA 4.50 (# 3042:20 Unique 2.50, 2.80 A)
&rst
ixpk= 3042, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1467,1468,
&end
#
# 0 AMB 20-2:3043 84 ASN HA 6.00 (# 3043:20 Single Ambig)
&rst
ixpk= 3043, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1867,1868,1867,1868,
&end
#
# 84 ASN HN 84 ASN HB+ 6.00 (# 3044:20 Unique 3.10, 3.53 A)
&rst
ixpk= 3044, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1467,1468,
&end
#
# 84 ASN HN 84 ASN HB- 6.00 (# 3045:20 Unique 3.10, 3.53 A)
&rst
ixpk= 3045, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1467,1468,
&end
#
# 112 VAL HN 84 ASN HB+ 8.00 (# 3046:20 Unique 5.06, 5.58 A)
&rst
ixpk= 3046, nxpk= 20, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:3047 84 ASN HB- 8.00 (# 3047:20 Single Ambig)
&rst
ixpk= 3047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1477,1447,
igr2=1467,1468,
&end
#
# 84 ASN HD2+ 84 ASN HB+ 4.50 (# 3048:20 Unique 2.15, 3.28 A)
&rst
ixpk= 3048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1472,1473,
igr2=1467,1468,
&end
#
# 84 ASN HD2+ 84 ASN HB- 4.50 (# 3049:20 Unique 2.15, 3.28 A)
&rst
ixpk= 3049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1472,1473,
igr2=1467,1468,
&end
#
# 84 ASN HD2- 84 ASN HB- 6.00 (# 3052:20 Unique 2.15, 3.28 A)
&rst
ixpk= 3052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1472,1473,
igr2=1467,1468,
&end
#
# 84 ASN HD2- 84 ASN HB+ 6.00 (# 3053:20 Unique 2.15, 3.28 A)
&rst
ixpk= 3053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1472,1473,
igr2=1467,1468,
&end
#
# 102 GLU HA 84 ASN HB+ 6.00 (# 3054:20 Unique 4.78, 6.00 A)
&rst
ixpk= 3054, nxpk= 20, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1467,1468,
&end
#
# 102 GLU HA 84 ASN HB- 6.00 (# 3055:20 Unique 4.78, 6.00 A)
&rst
ixpk= 3055, nxpk= 20, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1467,1468,
&end
#
# 84 ASN HA 84 ASN HB- 4.50 (# 3056:20 Unique 2.50, 2.80 A)
&rst
ixpk= 3056, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1467,1468,
&end
#
# 85 GLY HA- 84 ASN HB+ 6.00 (# 3059:20 Unique 4.46, 5.54 A)
&rst
ixpk= 3059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1479,1480,
igr2=1467,1468,
&end
#
# 102 GLU HB+ 84 ASN HB+ 6.00 (# 3060:20 Unique 2.91, 4.96 A)
&rst
ixpk= 3060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1724,1725,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:3061 84 ASN HB- 6.00 (# 3061:20 Single Ambig)
&rst
ixpk= 3061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1727,1728,1724,1725,
igr2=1467,1468,
&end
#
# 102 GLU HB- 84 ASN HB- 8.00 (# 3062:20 Unique 2.91, 4.96 A)
&rst
ixpk= 3062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1724,1725,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:3063 0 AMB 20-1:3063 6.00 (# 3063:20 Double Ambig)
&rst
ixpk= 3063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,1832,1833,1834,1836,1837,1838,
igr2=1467,1468,1467,1468,1467,1468,
&end
#
# 0 AMB 20-2:3071 0 AMB 20-1:3071 6.00 (# 3071:20 Double Ambig)
&rst
ixpk= 3071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1886,1887,1888,1890,1891,1892,1432,1433,
igr2=1479,1480,1479,1480,
&end
#
# 0 AMB 20-2:3072 0 AMB 20-1:3072 6.00 (# 3072:20 Double Ambig)
&rst
ixpk= 3072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1479,1480,1479,1480,
&end
#
# 0 AMB 20-2:3073 85 GLY HA- 6.00 (# 3073:20 Single Ambig)
&rst
ixpk= 3073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,1432,1433,
igr2=1479,1480,
&end
#
# 0 AMB 20-2:3074 85 GLY HA- 6.00 (# 3074:20 Single Ambig)
&rst
ixpk= 3074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1479,1480,
&end
#
# 0 AMB 20-2:3075 0 AMB 20-1:3075 6.00 (# 3075:20 Double Ambig)
&rst
ixpk= 3075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1484,1796,
igr2=1486,1759,
&end
#
# 86 HIS HB+ 86 HIS HA 4.50 (# 3077:20 Unique 2.37, 2.74 A)
&rst
ixpk= 3077, nxpk= 20, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1488,1489,
&end
#
# 0 AMB 20-2:3078 0 AMB 20-1:3078 4.50 (# 3078:20 Double Ambig)
&rst
ixpk= 3078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1761,1762,1488,1489,
igr2=1759,1486,
&end
#
# 0 AMB 20-2:3079 86 HIS HA 6.00 (# 3079:20 Single Ambig)
&rst
ixpk= 3079, nxpk= 20, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 87 SER HN 86 HIS HB+ 6.00 (# 3080:20 Unique 3.24, 4.03 A)
&rst
ixpk= 3080, nxpk= 20, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1488,1489,
&end
#
# 87 SER HN 86 HIS HB- 6.00 (# 3081:20 Unique 3.24, 4.03 A)
&rst
ixpk= 3081, nxpk= 20, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1488,1489,
&end
#
# 86 HIS HN 86 HIS HB+ 6.00 (# 3083:20 Unique 2.64, 3.35 A)
&rst
ixpk= 3083, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1488,1489,
&end
#
# 86 HIS HN 86 HIS HB- 6.00 (# 3084:20 Unique 2.64, 3.35 A)
&rst
ixpk= 3084, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1488,1489,
&end
#
# 86 HIS HD2 86 HIS HB+ 6.00 (# 3085:20 Unique 2.96, 3.52 A)
&rst
ixpk= 3085, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1488,1489,
&end
#
# 86 HIS HD2 86 HIS HB- 6.00 (# 3086:20 Unique 2.96, 3.52 A)
&rst
ixpk= 3086, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1488,1489,
&end
#
# 86 HIS HA 86 HIS HB- 3.50 (# 3087:20 Unique 2.37, 2.74 A)
&rst
ixpk= 3087, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1488,1489,
&end
#
# 0 AMB 20-2:3088 0 AMB 20-1:3088 8.00 (# 3088:20 Double Ambig)
&rst
ixpk= 3088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1506,1507,1506,1507,
igr2=1488,1489,1488,1489,
&end
#
# 0 AMB 20-2:3091 0 AMB 20-1:3091 6.00 (# 3091:20 Double Ambig)
&rst
ixpk= 3091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=1524,1525,1526,1517,1518,
igr2=1488,1489,1488,1489,
&end
#
# 0 AMB 20-2:3092 86 HIS HB- 6.00 (# 3092:20 Single Ambig)
&rst
ixpk= 3092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1524,1525,1526,1517,1518,
igr2=1488,1489,
&end
#
# 0 AMB 20-2:3093 86 HIS HB- 8.00 (# 3093:20 Single Ambig)
&rst
ixpk= 3093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1517,1518,1451,
igr2=1488,1489,
&end
#
# 0 AMB 20-2:3094 0 AMB 20-1:3094 8.00 (# 3094:20 Double Ambig)
&rst
ixpk= 3094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1517,1518,1451,
igr2=1488,1489,1488,1489,
&end
#
# 83 VAL MGY 86 HIS HB+ 8.00 (# 3095:20 Unique 2.12, 5.00 A)
&rst
ixpk= 3095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1453,1454,1455,1457,1458,1459,
igr2=1488,1489,
&end
#
# 82 LEU HB- 86 HIS HB- 8.00 (# 3096:20 Unique 4.56, 5.79 A)
&rst
ixpk= 3096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1432,1433,
igr2=1488,1489,
&end
#
# 0 AMB 20-2:3097 0 AMB 20-1:3097 8.00 (# 3097:20 Double Ambig)
&rst
ixpk= 3097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.25, r4=15.75,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1488,1489,1488,1489,
&end
#
# 0 AMB 20-2:3100 88 MET HB- 8.00 (# 3100:20 Single Ambig)
&rst
ixpk= 3100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1530,1409,
igr2=1517,1518,
&end
#
# 88 MET HA 88 MET HB+ 6.00 (# 3101:20 Unique 2.27, 2.74 A)
&rst
ixpk= 3101, nxpk= 20, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1517,1518,
&end
#
# 88 MET HA 88 MET HB- 6.00 (# 3102:20 Unique 2.27, 2.74 A)
&rst
ixpk= 3102, nxpk= 20, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1517,1518,
&end
#
# 0 AMB 20-2:3103 0 AMB 20-1:3103 3.50 (# 3103:20 Double Ambig)
&rst
ixpk= 3103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1520,1521,1520,1521,
igr2=1517,1518,1517,1518,
&end
#
# 0 AMB 20-2:3104 0 AMB 20-1:3104 3.50 (# 3104:20 Double Ambig)
&rst
ixpk= 3104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1520,1521,1520,1521,1988,1989,
igr2=1517,1518,1945,1946,
&end
#
# 0 AMB 20-2:3107 0 AMB 20-1:3107 4.50 (# 3107:20 Double Ambig)
&rst
ixpk= 3107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,
igr2=1517,1518,1517,1518,
&end
#
# 0 AMB 20-2:3108 88 MET HB- 3.50 (# 3108:20 Single Ambig)
&rst
ixpk= 3108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1111,1112,1113,1453,1454,1455,1457,1458,1459,1453,
1454,1455,1457,1458,1459,
igr2=1517,1518,
&end
#
# 83 VAL HN 0 AMB 20-1:3110 6.00 (# 3110:20 Single Ambig)
&rst
ixpk= 3110, nxpk= 20, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1520,1521,1520,1521,
&end
#
# 90 SER HN 89 VAL HA 4.50 (# 3111:20 Unique 3.38, 3.46 A)
&rst
ixpk= 3111, nxpk= 20, iat=1546,1532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 VAL HN 89 VAL HA 6.00 (# 3112:20 Unique 2.77, 2.79 A)
&rst
ixpk= 3112, nxpk= 20, iat=1530,1532, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 VAL HB 89 VAL HA 3.50 (# 3113:20 Unique 2.43, 2.84 A)
&rst
ixpk= 3113, nxpk= 20, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 SER HN 89 VAL HB 6.00 (# 3114:20 Unique 2.53, 3.25 A)
&rst
ixpk= 3114, nxpk= 20, iat=1546,1534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 MET HA 89 VAL HB 8.00 (# 3115:20 Unique 4.58, 5.29 A)
&rst
ixpk= 3115, nxpk= 20, iat=1515,1534, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 88 MET HA 0 AMB 20-1:3117 6.00 (# 3117:20 Single Ambig)
&rst
ixpk= 3117, nxpk= 20, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 90 SER HA 0 AMB 20-1:3118 6.00 (# 3118:20 Single Ambig)
&rst
ixpk= 3118, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 0 AMB 20-2:3119 0 AMB 20-1:3119 4.50 (# 3119:20 Double Ambig)
&rst
ixpk= 3119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1=1506,1507,1506,1507,1506,1507,1550,1551,
igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 0 AMB 20-2:3120 0 AMB 20-1:3120 3.50 (# 3120:20 Double Ambig)
&rst
ixpk= 3120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1393,1394,1393,1394,
igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 90 SER HN 90 SER HA 6.00 (# 3122:20 Unique 2.91, 2.96 A)
&rst
ixpk= 3122, nxpk= 20, iat=1546,1548, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 VAL HN 90 SER HA 6.00 (# 3123:20 Unique 2.13, 2.28 A)
&rst
ixpk= 3123, nxpk= 20, iat=1557,1548, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3124 0 AMB 20-1:3124 6.00 (# 3124:20 Double Ambig)
&rst
ixpk= 3124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,1536,1537,1538,1540,1541,1542,1536,1537,
1538,1540,1541,1542,
igr2=1575,1548,
&end
#
# 93 THR HN 0 AMB 20-1:3127 6.00 (# 3127:20 Single Ambig)
&rst
ixpk= 3127, nxpk= 20, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1057,1058,1057,1058,
&end
#
# 0 AMB 20-2:3130 0 AMB 20-1:3130 6.00 (# 3130:20 Double Ambig)
&rst
ixpk= 3130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1068,1069,1121,1122,
igr2=1008,1057,1058,1057,1058,1057,1058,
&end
#
# 0 AMB 20-2:3132 91 VAL MGX 6.00 (# 3132:20 Single Ambig)
&rst
ixpk= 3132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1053,1546,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 93 THR HN 91 VAL MGX 6.00 (# 3133:20 Unique 1.42, 3.46 A)
&rst
ixpk= 3133, nxpk= 20, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 0 AMB 20-2:3134 91 VAL MGX 8.00 (# 3134:20 Single Ambig)
&rst
ixpk= 3134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1=1586,1038,1608,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 91 VAL HA 91 VAL MGX 4.50 (# 3135:20 Unique 2.37, 3.45 A)
&rst
ixpk= 3135, nxpk= 20, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 0 AMB 20-2:3136 91 VAL MGX 4.50 (# 3136:20 Single Ambig)
&rst
ixpk= 3136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1057,1058,1057,1058,1577,1578,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 60 MET HG+ 91 VAL MGX 8.00 (# 3137:20 Unique 1.99, 4.31 A)
&rst
ixpk= 3137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1043,1044,
igr2=1563,1564,1565,1567,1568,1569,
&end
#
# 93 THR HA 93 THR HB 6.00 (# 3139:20 Unique 2.55, 2.73 A)
&rst
ixpk= 3139, nxpk= 20, iat=1586,1588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 VAL HA 93 THR HB 8.00 (# 3140:20 Unique 4.95, 5.36 A)
&rst
ixpk= 3140, nxpk= 20, iat=1559,1588, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 94 PRO HD+ 93 THR HB 6.00 (# 3141:20 Unique 3.71, 4.24 A)
&rst
ixpk= 3141, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1599,1600,
&end
#
# 0 AMB 20-2:3142 93 THR HB 6.00 (# 3142:20 Single Ambig)
&rst
ixpk= 3142, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1043,1044,1043,1044,
&end
#
# 0 AMB 20-2:3143 93 THR HB 6.00 (# 3143:20 Single Ambig)
&rst
ixpk= 3143, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1646,1647,1646,1647,1524,1525,1526,1602,1603,
&end
#
# 0 AMB 20-2:3144 93 THR HB 8.00 (# 3144:20 Single Ambig)
&rst
ixpk= 3144, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1649,1650,1561,1040,1041,
&end
#
# 93 THR HA 93 THR MG2 3.50 (# 3147:20 Unique 3.22, 3.76 A)
&rst
ixpk= 3147, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:3148 93 THR MG2 6.00 (# 3148:20 Single Ambig)
&rst
ixpk= 3148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1559,1644,
igr2=1590,1591,1592,
&end
#
# 94 PRO HD+ 93 THR MG2 4.50 (# 3149:20 Unique 2.25, 4.24 A)
&rst
ixpk= 3149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1599,1600,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:3150 93 THR MG2 2.80 (# 3150:20 Single Ambig)
&rst
ixpk= 3150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1599,1600,1588,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:3151 93 THR MG2 6.00 (# 3151:20 Single Ambig)
&rst
ixpk= 3151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1043,1044,1043,1044,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:3152 93 THR MG2 8.00 (# 3152:20 Single Ambig)
&rst
ixpk= 3152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1=1520,1521,1520,1521,1026,1027,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:3153 93 THR MG2 4.50 (# 3153:20 Single Ambig)
&rst
ixpk= 3153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1649,1650,1561,1040,1041,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:3154 93 THR MG2 2.80 (# 3154:20 Single Ambig)
&rst
ixpk= 3154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1646,1647,1646,1647,1602,1603,1524,1525,1526,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:3156 93 THR MG2 2.80 (# 3156:20 Single Ambig)
&rst
ixpk= 3156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
1668,1669,
igr2=1590,1591,1592,
&end
#
# 59 ASN HB+ 94 PRO HA 6.00 (# 3157:20 Unique 1.99, 3.45 A)
&rst
ixpk= 3157, nxpk= 20, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1026,1027,
&end
#
# 59 ASN HB- 94 PRO HA 6.00 (# 3158:20 Unique 1.99, 3.45 A)
&rst
ixpk= 3158, nxpk= 20, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1026,1027,
&end
#
# 94 PRO HB- 94 PRO HA 4.50 (# 3159:20 Unique 2.31, 2.52 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1605,1606,
&end
#
# 95 ILE HB 94 PRO HA 6.00 (# 3160:20 Unique 4.34, 4.43 A)
&rst
ixpk= 3160, nxpk= 20, iat=1616,1608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 THR MG2 94 PRO HA 8.00 (# 3161:20 Unique 3.99, 4.94 A)
&rst
ixpk= 3161, nxpk= 20, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1590,1591,1592,
&end
#
# 95 ILE QG2 94 PRO HA 6.00 (# 3162:20 Unique 4.36, 5.57 A)
&rst
ixpk= 3162, nxpk= 20, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1618,1619,1620,
&end
#
# 95 ILE HN 94 PRO HB+ 6.00 (# 3163:20 Unique 2.23, 3.27 A)
&rst
ixpk= 3163, nxpk= 20, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1605,1606,
&end
#
# 95 ILE HN 94 PRO HB- 6.00 (# 3164:20 Unique 2.23, 3.27 A)
&rst
ixpk= 3164, nxpk= 20, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1605,1606,
&end
#
# 96 SER HN 94 PRO HB+ 6.00 (# 3165:20 Unique 2.09, 3.10 A)
&rst
ixpk= 3165, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1605,1606,
&end
#
# 0 AMB 20-2:3166 0 AMB 20-1:3166 6.00 (# 3166:20 Double Ambig)
&rst
ixpk= 3166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1631, 61,
igr2=1605,1606, 806,
&end
#
# 0 AMB 20-2:3167 46 VAL HB 6.00 (# 3167:20 Single Ambig)
&rst
ixpk= 3167, nxpk= 20, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 818, 871,
&end
#
# 97 GLU HN 94 PRO HB+ 6.00 (# 3168:20 Unique 3.34, 4.41 A)
&rst
ixpk= 3168, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1605,1606,
&end
#
# 97 GLU HN 94 PRO HB- 6.00 (# 3169:20 Unique 3.34, 4.41 A)
&rst
ixpk= 3169, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1605,1606,
&end
#
# 94 PRO HA 94 PRO HB+ 3.50 (# 3171:20 Unique 2.31, 2.52 A)
&rst
ixpk= 3171, nxpk= 20, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1605,1606,
&end
#
# 0 AMB 20-2:3172 0 AMB 20-1:3172 4.50 (# 3172:20 Double Ambig)
&rst
ixpk= 3172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1608, 85,
igr2=1605,1606, 806,
&end
#
# 94 PRO HD- 94 PRO HB+ 6.00 (# 3173:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1599,1600,
igr2=1605,1606,
&end
#
# 94 PRO HD- 94 PRO HB- 6.00 (# 3174:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1599,1600,
igr2=1605,1606,
&end
#
# 0 AMB 20-2:3176 0 AMB 20-1:3176 8.00 (# 3176:20 Double Ambig)
&rst
ixpk= 3176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=2236,1631,
igr2= 966, 967,1602,1603,
&end
#
# 97 GLU HN 94 PRO HG+ 6.00 (# 3177:20 Unique 2.59, 3.68 A)
&rst
ixpk= 3177, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1602,1603,
&end
#
# 0 AMB 20-2:3179 0 AMB 20-1:3179 4.50 (# 3179:20 Double Ambig)
&rst
ixpk= 3179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 972,1608,1586,
igr2= 966, 967,1602,1603,1602,1603,
&end
#
# 0 AMB 20-2:3180 0 AMB 20-1:3180 4.50 (# 3180:20 Double Ambig)
&rst
ixpk= 3180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 972,1608,1586,
igr2= 966, 967,1602,1603,
&end
#
# 0 AMB 20-2:3181 94 PRO HD- 8.00 (# 3181:20 Single Ambig)
&rst
ixpk= 3181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1584,1657,
igr2=1599,1600,
&end
#
# 93 THR HA 94 PRO HD- 2.80 (# 3185:20 Unique 2.20, 2.29 A)
&rst
ixpk= 3185, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1599,1600,
&end
#
# 0 AMB 20-2:3187 0 AMB 20-1:3187 6.00 (# 3187:20 Double Ambig)
&rst
ixpk= 3187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2238,2224,
igr2= 963, 964, 963, 964,
&end
#
# 99 TYR HN 95 ILE HA 6.00 (# 3194:20 Unique 4.11, 4.27 A)
&rst
ixpk= 3194, nxpk= 20, iat=1673,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 SER HN 95 ILE HA 8.00 (# 3195:20 Unique 3.31, 3.42 A)
&rst
ixpk= 3195, nxpk= 20, iat=1631,1614, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:3196 0 AMB 20-1:3196 6.00 (# 3196:20 Double Ambig)
&rst
ixpk= 3196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 180,1694, 139,
igr2= 895, 896,1622,1623, 895, 896,
&end
#
# 99 TYR HN 95 ILE HG1- 8.00 (# 3197:20 Unique 3.45, 4.35 A)
&rst
ixpk= 3197, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1622,1623,
&end
#
# 95 ILE HN 95 ILE HG1+ 8.00 (# 3198:20 Unique 3.93, 4.41 A)
&rst
ixpk= 3198, nxpk= 20, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1622,1623,
&end
#
# 95 ILE HN 95 ILE QD1 6.00 (# 3200:20 Unique 4.47, 5.35 A)
&rst
ixpk= 3200, nxpk= 20, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1625,1626,1627,
&end
#
# 31 ILE HN 95 ILE QD1 8.00 (# 3201:20 Unique 4.89, 6.63 A)
&rst
ixpk= 3201, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1625,1626,1627,
&end
#
# 0 AMB 20-2:3202 95 ILE QD1 8.00 (# 3202:20 Single Ambig)
&rst
ixpk= 3202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 946,1022,
igr2=1625,1626,1627,
&end
#
# 0 AMB 20-2:3203 95 ILE QD1 8.00 (# 3203:20 Single Ambig)
&rst
ixpk= 3203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1631,1079,
igr2=1625,1626,1627,
&end
#
# 98 VAL HN 95 ILE QD1 8.00 (# 3204:20 Unique 3.82, 6.91 A)
&rst
ixpk= 3204, nxpk= 20, iat=1657, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1625,1626,1627,
&end
#
# 60 MET HA 95 ILE QD1 6.00 (# 3206:20 Unique 3.68, 5.73 A)
&rst
ixpk= 3206, nxpk= 20, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1625,1626,1627,
&end
#
# 0 AMB 20-2:3208 0 AMB 20-1:3208 8.00 (# 3208:20 Double Ambig)
&rst
ixpk= 3208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1043,1044,1043,1044,2101,2102,
igr2=1625,1626,1627, 409, 410, 411,
&end
#
# 0 AMB 20-2:3210 95 ILE QD1 6.00 (# 3210:20 Single Ambig)
&rst
ixpk= 3210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1830,1827,1828,
igr2=1625,1626,1627,
&end
#
# 95 ILE HG1+ 95 ILE QD1 2.80 (# 3211:20 Unique 2.44, 2.64 A)
&rst
ixpk= 3211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1622,1623,
igr2=1625,1626,1627,
&end
#
# 0 AMB 20-2:3212 95 ILE QD1 2.80 (# 3212:20 Single Ambig)
&rst
ixpk= 3212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 578, 579, 580, 582, 583, 584,1618,1619,1620,
igr2=1625,1626,1627,
&end
#
# 0 AMB 20-2:3219 95 ILE QG2 6.00 (# 3219:20 Single Ambig)
&rst
ixpk= 3219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1608,1038, 972,
igr2=1618,1619,1620,
&end
#
# 0 AMB 20-2:3220 95 ILE QG2 6.00 (# 3220:20 Single Ambig)
&rst
ixpk= 3220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 980, 981,1043,1044,
igr2=1618,1619,1620,
&end
#
# 0 AMB 20-2:3221 95 ILE QG2 6.00 (# 3221:20 Single Ambig)
&rst
ixpk= 3221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1605,1606,1083,1084,1602,1603,
igr2=1618,1619,1620,
&end
#
# 58 VAL HB 95 ILE QG2 4.50 (# 3222:20 Unique 4.04, 5.38 A)
&rst
ixpk= 3222, nxpk= 20, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1618,1619,1620,
&end
#
# 54 VAL HB 95 ILE QG2 2.80 (# 3223:20 Unique 2.56, 3.98 A)
&rst
ixpk= 3223, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1618,1619,1620,
&end
#
# 0 AMB 20-2:3224 95 ILE QG2 2.80 (# 3224:20 Single Ambig)
&rst
ixpk= 3224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 543,1616,
igr2=1618,1619,1620,
&end
#
# 95 ILE HG1- 95 ILE QG2 2.80 (# 3225:20 Unique 2.47, 3.49 A)
&rst
ixpk= 3225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1622,1623,
igr2=1618,1619,1620,
&end
#
# 95 ILE HG1+ 95 ILE QG2 3.50 (# 3226:20 Unique 2.47, 3.49 A)
&rst
ixpk= 3226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1622,1623,
igr2=1618,1619,1620,
&end
#
# 0 AMB 20-2:3227 95 ILE QG2 3.50 (# 3227:20 Single Ambig)
&rst
ixpk= 3227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1625,1626,1627,1012,1013,1014,1016,1017,1018,
igr2=1618,1619,1620,
&end
#
# 97 GLU HN 0 AMB 20-1:3229 6.00 (# 3229:20 Single Ambig)
&rst
ixpk= 3229, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1635,1636,1635,1636,
&end
#
# 56 ASP HB- 0 AMB 20-1:3234 6.00 (# 3234:20 Single Ambig)
&rst
ixpk= 3234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 980, 981,
igr2=1635,1636,1635,1636,1633,
&end
#
# 0 AMB 20-2:3237 97 GLU HA 3.50 (# 3237:20 Single Ambig)
&rst
ixpk= 3237, nxpk= 20, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1642,1694,
&end
#
# 0 AMB 20-2:3238 97 GLU HA 6.00 (# 3238:20 Single Ambig)
&rst
ixpk= 3238, nxpk= 20, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1701,1702,1701,1702,
&end
#
# 97 GLU HG- 97 GLU HA 3.50 (# 3239:20 Unique 2.43, 3.12 A)
&rst
ixpk= 3239, nxpk= 20, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1649,1650,
&end
#
# 0 AMB 20-2:3240 97 GLU HA 2.80 (# 3240:20 Single Ambig)
&rst
ixpk= 3240, nxpk= 20, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1698,1699,1698,1699,1646,1647,1646,1647,
&end
#
# 93 THR MG2 97 GLU HA 6.00 (# 3241:20 Unique 5.20, 6.51 A)
&rst
ixpk= 3241, nxpk= 20, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1590,1591,1592,
&end
#
# 63 LEU HN 62 GLU HG- 6.00 (# 3244:20 Unique 2.62, 3.73 A)
&rst
ixpk= 3244, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1071,1072,
&end
#
# 0 AMB 20-2:3245 97 GLU HG- 6.00 (# 3245:20 Single Ambig)
&rst
ixpk= 3245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1657,1709,
igr2=1649,1650,
&end
#
# 0 AMB 20-2:3247 97 GLU HG- 6.00 (# 3247:20 Single Ambig)
&rst
ixpk= 3247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1659,1599,1600,1588,
igr2=1649,1650,
&end
#
# 0 AMB 20-2:3248 97 GLU HG- 2.80 (# 3248:20 Single Ambig)
&rst
ixpk= 3248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1646,1647,1698,1699,1698,1699,
igr2=1649,1650,
&end
#
# 65 LYS HG+ 62 GLU HG- 6.00 (# 3249:20 Unique 2.92, 7.36 A)
&rst
ixpk= 3249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1124,1125,
igr2=1071,1072,
&end
#
# 99 TYR HN 98 VAL HA 6.00 (# 3251:20 Unique 3.48, 3.53 A)
&rst
ixpk= 3251, nxpk= 20, iat=1673,1659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 GLU HN 98 VAL HA 8.00 (# 3252:20 Unique 3.18, 3.95 A)
&rst
ixpk= 3252, nxpk= 20, iat=1720,1659, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:3253 98 VAL HA 4.50 (# 3253:20 Single Ambig)
&rst
ixpk= 3253, nxpk= 20, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1657,1709,
&end
#
# 0 AMB 20-2:3254 98 VAL HA 6.00 (# 3254:20 Single Ambig)
&rst
ixpk= 3254, nxpk= 20, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1727,1728,1649,1650,
&end
#
# 93 THR MG2 98 VAL HA 6.00 (# 3255:20 Unique 4.88, 6.02 A)
&rst
ixpk= 3255, nxpk= 20, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1590,1591,1592,
&end
#
# 95 ILE HG1+ 98 VAL HA 8.00 (# 3256:20 Unique 5.49, 6.02 A)
&rst
ixpk= 3256, nxpk= 20, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1622,1623,
&end
#
# 98 VAL HN 98 VAL HB 4.50 (# 3259:20 Unique 2.50, 2.59 A)
&rst
ixpk= 3259, nxpk= 20, iat=1657,1661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3260 98 VAL HB 6.00 (# 3260:20 Single Ambig)
&rst
ixpk= 3260, nxpk= 20, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1694,1642,
&end
#
# 0 AMB 20-2:3261 98 VAL HB 2.80 (# 3261:20 Single Ambig)
&rst
ixpk= 3261, nxpk= 20, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1614,1675,
&end
#
# 95 ILE HG1- 98 VAL HB 6.00 (# 3262:20 Unique 2.56, 3.09 A)
&rst
ixpk= 3262, nxpk= 20, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1622,1623,
&end
#
# 95 ILE HG1+ 98 VAL HB 6.00 (# 3263:20 Unique 2.56, 3.09 A)
&rst
ixpk= 3263, nxpk= 20, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1622,1623,
&end
#
# 0 AMB 20-2:3264 0 AMB 20-1:3264 2.80 (# 3264:20 Double Ambig)
&rst
ixpk= 3264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,1663,1664,1665,1667,1668,1669,
igr2=1534,1661,
&end
#
# 109 LEU MDX 98 VAL HB 6.00 (# 3265:20 Unique 2.24, 4.57 A)
&rst
ixpk= 3265, nxpk= 20, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1832,1833,1834,1836,1837,1838,
&end
#
# 95 ILE QD1 98 VAL HB 6.00 (# 3266:20 Unique 2.07, 5.04 A)
&rst
ixpk= 3266, nxpk= 20, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1625,1626,1627,
&end
#
# 99 TYR HN 99 TYR HA 4.50 (# 3268:20 Unique 2.85, 2.88 A)
&rst
ixpk= 3268, nxpk= 20, iat=1673,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 GLU HN 99 TYR HA 6.00 (# 3270:20 Unique 3.40, 3.49 A)
&rst
ixpk= 3270, nxpk= 20, iat=1694,1675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 TYR HD 99 TYR HA 4.50 (# 3271:20 Unique 2.22, 3.60 A)
&rst
ixpk= 3271, nxpk= 20, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1681,1690,
&end
#
# 0 AMB 20-2:3273 99 TYR HA 6.00 (# 3273:20 Single Ambig)
&rst
ixpk= 3273, nxpk= 20, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1830,1827,1828,
&end
#
# 0 AMB 20-2:3274 0 AMB 20-1:3274 8.00 (# 3274:20 Double Ambig)
&rst
ixpk= 3274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
igr1=1745,1746, 648, 649, 877, 878, 879,
igr2=1675, 804,
&end
#
# 0 AMB 20-2:3275 0 AMB 20-1:3275 3.50 (# 3275:20 Double Ambig)
&rst
ixpk= 3275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1832,1833,1834,1836,1837,1838, 827, 828, 829, 831,
832, 833, 827, 828, 829, 831, 832, 833,
igr2=1675, 804,
&end
#
# 31 ILE QG2 99 TYR HA 6.00 (# 3276:20 Unique 3.75, 4.94 A)
&rst
ixpk= 3276, nxpk= 20, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 545, 546, 547,
&end
#
# 100 GLU HN 99 TYR HB+ 6.00 (# 3277:20 Unique 2.63, 3.51 A)
&rst
ixpk= 3277, nxpk= 20, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1677,1678,
&end
#
# 100 GLU HN 99 TYR HB- 3.50 (# 3278:20 Unique 2.63, 3.51 A)
&rst
ixpk= 3278, nxpk= 20, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1677,1678,
&end
#
# 99 TYR HD 99 TYR HB+ 4.50 (# 3279:20 Unique 2.32, 3.06 A)
&rst
ixpk= 3279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1681,1690,
igr2=1677,1678,
&end
#
# 0 AMB 20-2:3280 0 AMB 20-1:3280 4.50 (# 3280:20 Double Ambig)
&rst
ixpk= 3280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1675,1633,
igr2=1677,1678,1677,1678,
&end
#
# 0 AMB 20-2:3281 99 TYR HB- 3.50 (# 3281:20 Single Ambig)
&rst
ixpk= 3281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1675,1633,
igr2=1677,1678,
&end
#
# 0 AMB 20-2:3284 0 AMB 20-1:3284 8.00 (# 3284:20 Double Ambig)
&rst
ixpk= 3284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.10, r4=14.60,
igr1=1698,1699,1698,1699,1661,
igr2=1677,1678,1677,1678,1677,1678,
&end
#
# 0 AMB 20-2:3285 99 TYR HB- 8.00 (# 3285:20 Single Ambig)
&rst
ixpk= 3285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.74, r4=12.24,
igr1=1698,1699,1698,1699,1661,
igr2=1677,1678,
&end
#
# 0 AMB 20-2:3286 0 AMB 20-1:3286 8.00 (# 3286:20 Double Ambig)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1827,1828,1830,
igr2=1677,1678,1677,1678,
&end
#
# 0 AMB 20-2:3287 0 AMB 20-1:3287 6.00 (# 3287:20 Double Ambig)
&rst
ixpk= 3287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1832,1833,1834,1836,1837,1838,1618,1619,1620,
igr2=1677,1678,1677,1678,
&end
#
# 109 LEU MDX 99 TYR HB+ 6.00 (# 3288:20 Unique 1.99, 4.71 A)
&rst
ixpk= 3288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1832,1833,1834,1836,1837,1838,
igr2=1677,1678,
&end
#
# 109 LEU MDY 99 TYR HB- 6.00 (# 3289:20 Unique 1.99, 4.71 A)
&rst
ixpk= 3289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1832,1833,1834,1836,1837,1838,
igr2=1677,1678,
&end
#
# 109 LEU MDX 99 TYR HB- 6.00 (# 3290:20 Unique 1.99, 4.71 A)
&rst
ixpk= 3290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1832,1833,1834,1836,1837,1838,
igr2=1677,1678,
&end
#
# 101 SER HN 101 SER HA 6.00 (# 3291:20 Unique 2.95, 2.96 A)
&rst
ixpk= 3291, nxpk= 20, iat=1709,1711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3292 101 SER HA 6.00 (# 3292:20 Single Ambig)
&rst
ixpk= 3292, nxpk= 20, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1713,1714,1713,1714,
&end
#
# 102 GLU HN 0 AMB 20-1:3293 4.50 (# 3293:20 Single Ambig)
&rst
ixpk= 3293, nxpk= 20, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1713,1714,1713,1714,
&end
#
# 101 SER HN 0 AMB 20-1:3294 2.80 (# 3294:20 Single Ambig)
&rst
ixpk= 3294, nxpk= 20, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1713,1714,1713,1714,
&end
#
# 101 SER HA 0 AMB 20-1:3296 2.80 (# 3296:20 Single Ambig)
&rst
ixpk= 3296, nxpk= 20, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1713,1714,1713,1714,
&end
#
# 0 AMB 20-2:3298 0 AMB 20-1:3298 4.50 (# 3298:20 Double Ambig)
&rst
ixpk= 3298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1727,1728,1727,1728,
igr2=1713,1714,1713,1714,
&end
#
# 0 AMB 20-2:3299 0 AMB 20-1:3299 4.50 (# 3299:20 Double Ambig)
&rst
ixpk= 3299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1727,1728,1649,1650,
igr2=1713,1714,1713,1714,1713,1714,
&end
#
# 102 GLU HB- 0 AMB 20-1:3300 8.00 (# 3300:20 Single Ambig)
&rst
ixpk= 3300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1724,1725,
igr2=1713,1714,1713,1714,
&end
#
# 0 AMB 20-2:3301 0 AMB 20-1:3301 4.50 (# 3301:20 Double Ambig)
&rst
ixpk= 3301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1663,1664,1665,1667,1668,1669,1663,1664,1665,1667,
1668,1669,
igr2=1713,1714,1713,1714,1713,1714,
&end
#
# 110 TYR HN 103 LYS HA 8.00 (# 3302:20 Unique 4.88, 5.58 A)
&rst
ixpk= 3302, nxpk= 20, iat=1842,1737, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 99 TYR HD 103 LYS HA 6.00 (# 3303:20 Unique 2.48, 4.85 A)
&rst
ixpk= 3303, nxpk= 20, iat= -1,1737, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1681,1690,
&end
#
# 103 LYS HD- 103 LYS HA 8.00 (# 3304:20 Unique 2.08, 3.82 A)
&rst
ixpk= 3304, nxpk= 20, iat= -1,1737, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1745,1746,
&end
#
# 104 ASP HN 103 LYS HB- 6.00 (# 3305:20 Unique 3.11, 3.99 A)
&rst
ixpk= 3305, nxpk= 20, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1739,1740,
&end
#
# 103 LYS HN 103 LYS HB- 6.00 (# 3306:20 Unique 2.05, 2.56 A)
&rst
ixpk= 3306, nxpk= 20, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1739,1740,
&end
#
# 103 LYS HA 103 LYS HB- 6.00 (# 3308:20 Unique 2.29, 2.77 A)
&rst
ixpk= 3308, nxpk= 20, iat=1737, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1739,1740,
&end
#
# 103 LYS HN 103 LYS HB+ 6.00 (# 3309:20 Unique 2.05, 2.56 A)
&rst
ixpk= 3309, nxpk= 20, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1739,1740,
&end
#
# 104 ASP HN 103 LYS HB+ 6.00 (# 3310:20 Unique 3.11, 3.99 A)
&rst
ixpk= 3310, nxpk= 20, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1739,1740,
&end
#
# 103 LYS HA 103 LYS HB+ 6.00 (# 3312:20 Unique 2.29, 2.77 A)
&rst
ixpk= 3312, nxpk= 20, iat=1737, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1739,1740,
&end
#
# 103 LYS HE+ 103 LYS HB- 6.00 (# 3313:20 Unique 2.22, 3.85 A)
&rst
ixpk= 3313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1748,1749,
igr2=1739,1740,
&end
#
# 0 AMB 20-2:3316 0 AMB 20-1:3316 4.50 (# 3316:20 Double Ambig)
&rst
ixpk= 3316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1742,1743,1742,1743,
igr2=1739,1740,1739,1740,
&end
#
# 103 LYS HD+ 103 LYS HB- 2.80 (# 3317:20 Unique 2.02, 3.20 A)
&rst
ixpk= 3317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1745,1746,
igr2=1739,1740,
&end
#
# 103 LYS HD- 103 LYS HB+ 6.00 (# 3318:20 Unique 2.02, 3.20 A)
&rst
ixpk= 3318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1745,1746,
igr2=1739,1740,
&end
#
# 103 LYS HD- 103 LYS HB- 6.00 (# 3319:20 Unique 2.02, 3.20 A)
&rst
ixpk= 3319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1745,1746,
igr2=1739,1740,
&end
#
# 103 LYS HN 0 AMB 20-1:3320 6.00 (# 3320:20 Single Ambig)
&rst
ixpk= 3320, nxpk= 20, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1742,1743,1742,1743,
&end
#
# 103 LYS HA 0 AMB 20-1:3322 6.00 (# 3322:20 Single Ambig)
&rst
ixpk= 3322, nxpk= 20, iat=1737, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1742,1743,1742,1743,
&end
#
# 103 LYS HD- 0 AMB 20-1:3323 6.00 (# 3323:20 Single Ambig)
&rst
ixpk= 3323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1745,1746,
igr2=1742,1743,1742,1743,
&end
#
# 103 LYS HN 103 LYS HD+ 6.00 (# 3324:20 Unique 4.29, 5.08 A)
&rst
ixpk= 3324, nxpk= 20, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1745,1746,
&end
#
# 103 LYS HN 103 LYS HD- 6.00 (# 3325:20 Unique 4.29, 5.08 A)
&rst
ixpk= 3325, nxpk= 20, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1745,1746,
&end
#
# 0 AMB 20-2:3326 0 AMB 20-1:3326 8.00 (# 3326:20 Double Ambig)
&rst
ixpk= 3326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1190,1681,1690,
igr2=1184,1185,1745,1746,
&end
#
# 0 AMB 20-2:3327 0 AMB 20-1:3327 6.00 (# 3327:20 Double Ambig)
&rst
ixpk= 3327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1377,1385,1683,1688,
igr2=1184,1185,1745,1746,
&end
#
# 103 LYS HA 103 LYS HD- 8.00 (# 3328:20 Unique 2.08, 3.82 A)
&rst
ixpk= 3328, nxpk= 20, iat=1737, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1745,1746,
&end
#
# 100 GLU HA 103 LYS HD- 6.00 (# 3329:20 Unique 2.79, 4.97 A)
&rst
ixpk= 3329, nxpk= 20, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1745,1746,
&end
#
# 107 GLY HA- 103 LYS HD+ 8.00 (# 3330:20 Unique 3.12, 6.45 A)
&rst
ixpk= 3330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1798,1799,
igr2=1745,1746,
&end
#
# 103 LYS HE- 103 LYS HD+ 6.00 (# 3331:20 Unique 2.22, 2.66 A)
&rst
ixpk= 3331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1748,1749,
igr2=1745,1746,
&end
#
# 103 LYS HE- 103 LYS HD- 4.50 (# 3332:20 Unique 2.22, 2.66 A)
&rst
ixpk= 3332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1748,1749,
igr2=1745,1746,
&end
#
# 103 LYS HB+ 103 LYS HD- 6.00 (# 3334:20 Unique 2.02, 3.20 A)
&rst
ixpk= 3334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1739,1740,
igr2=1745,1746,
&end
#
# 0 AMB 20-2:3335 103 LYS HD- 2.80 (# 3335:20 Single Ambig)
&rst
ixpk= 3335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1742,1743,1742,1743,
igr2=1745,1746,
&end
#
# 103 LYS HB- 103 LYS HD+ 2.80 (# 3337:20 Unique 2.02, 3.20 A)
&rst
ixpk= 3337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1739,1740,
igr2=1745,1746,
&end
#
# 103 LYS HN 103 LYS HE- 8.00 (# 3339:20 Unique 4.24, 5.89 A)
&rst
ixpk= 3339, nxpk= 20, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1748,1749,
&end
#
# 103 LYS HN 103 LYS HE- 8.00 (# 3340:20 Unique 4.24, 5.89 A)
&rst
ixpk= 3340, nxpk= 20, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1748,1749,
&end
#
# 68 ARG HE 79 PHE HB+ 8.00 (# 3341:20 Unique 1.93, 5.45 A)
&rst
ixpk= 3341, nxpk= 20, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1373,1374,
&end
#
# 114 ALA HA 0 AMB 20-1:3342 6.00 (# 3342:20 Single Ambig)
&rst
ixpk= 3342, nxpk= 20, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1393,1394,1373,1374,
&end
#
# 0 AMB 20-2:3344 0 AMB 20-1:3344 6.00 (# 3344:20 Double Ambig)
&rst
ixpk= 3344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1698,1699,1698,1699,1346,1347,
igr2=1748,1749,1748,1749,1373,1374,
&end
#
# 0 AMB 20-2:3345 103 LYS HE- 6.00 (# 3345:20 Single Ambig)
&rst
ixpk= 3345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1698,1699,1698,1699,
igr2=1748,1749,
&end
#
# 0 AMB 20-2:3346 0 AMB 20-1:3346 4.50 (# 3346:20 Double Ambig)
&rst
ixpk= 3346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 778, 779, 780, 782, 783, 784,1435,
igr2=1373,1374,1393,1394,
&end
#
# 106 ASP HN 104 ASP HB+ 6.00 (# 3347:20 Unique 2.26, 3.95 A)
&rst
ixpk= 3347, nxpk= 20, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1761,1762,
&end
#
# 108 PHE HN 104 ASP HB+ 6.00 (# 3348:20 Unique 1.91, 3.82 A)
&rst
ixpk= 3348, nxpk= 20, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1761,1762,
&end
#
# 106 ASP HN 104 ASP HB- 6.00 (# 3349:20 Unique 2.26, 3.95 A)
&rst
ixpk= 3349, nxpk= 20, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1761,1762,
&end
#
# 105 GLU HN 104 ASP HB+ 6.00 (# 3350:20 Unique 2.61, 3.58 A)
&rst
ixpk= 3350, nxpk= 20, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1761,1762,
&end
#
# 105 GLU HN 104 ASP HB- 6.00 (# 3351:20 Unique 2.61, 3.58 A)
&rst
ixpk= 3351, nxpk= 20, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1761,1762,
&end
#
# 0 AMB 20-2:3352 0 AMB 20-1:3352 8.00 (# 3352:20 Double Ambig)
&rst
ixpk= 3352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1177,1158,
igr2=1187,1188,1187,1188,
&end
#
# 107 GLY HN 104 ASP HB+ 6.00 (# 3353:20 Unique 2.34, 3.63 A)
&rst
ixpk= 3353, nxpk= 20, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1761,1762,
&end
#
# 102 GLU HA 104 ASP HB+ 6.00 (# 3354:20 Unique 5.70, 6.88 A)
&rst
ixpk= 3354, nxpk= 20, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1761,1762,
&end
#
# 0 AMB 20-2:3355 0 AMB 20-1:3355 6.00 (# 3355:20 Double Ambig)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1737,1771,1786,
igr2=1761,1762,1761,1762,1761,1762,
&end
#
# 106 ASP HN 105 GLU HA 6.00 (# 3357:20 Unique 3.42, 3.54 A)
&rst
ixpk= 3357, nxpk= 20, iat=1784,1771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 107 GLY HN 105 GLU HA 6.00 (# 3358:20 Unique 3.57, 4.21 A)
&rst
ixpk= 3358, nxpk= 20, iat=1796,1771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 106 ASP HN 0 AMB 20-1:3362 6.00 (# 3362:20 Single Ambig)
&rst
ixpk= 3362, nxpk= 20, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1773,1774,1773,1774,
&end
#
# 0 AMB 20-2:3365 0 AMB 20-1:3365 2.80 (# 3365:20 Double Ambig)
&rst
ixpk= 3365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1771,1786,
igr2=1773,1774,1773,1774,
&end
#
# 0 AMB 20-2:3366 0 AMB 20-1:3366 2.80 (# 3366:20 Double Ambig)
&rst
ixpk= 3366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1776,1777,1776,1777,1776,1777,
igr2=1773,1774,1773,1774,1773,1774,
&end
#
# 106 ASP HN 0 AMB 20-1:3367 6.00 (# 3367:20 Single Ambig)
&rst
ixpk= 3367, nxpk= 20, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1776,1777,1776,1777,
&end
#
# 105 GLU HN 0 AMB 20-1:3368 4.50 (# 3368:20 Single Ambig)
&rst
ixpk= 3368, nxpk= 20, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1776,1777,1776,1777,
&end
#
# 13 PHE HE 0 AMB 20-1:3369 4.50 (# 3369:20 Single Ambig)
&rst
ixpk= 3369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 228, 232,
igr2=1776,1777,1776,1777,
&end
#
# 105 GLU HA 0 AMB 20-1:3371 4.50 (# 3371:20 Single Ambig)
&rst
ixpk= 3371, nxpk= 20, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1776,1777,1776,1777,
&end
#
# 106 ASP HN 106 ASP HA 6.00 (# 3372:20 Unique 2.79, 2.86 A)
&rst
ixpk= 3372, nxpk= 20, iat=1784,1786, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 107 GLY HN 106 ASP HA 6.00 (# 3374:20 Unique 2.98, 3.46 A)
&rst
ixpk= 3374, nxpk= 20, iat=1796,1786, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 PHE HE 106 ASP HA 6.00 (# 3375:20 Unique 2.26, 5.35 A)
&rst
ixpk= 3375, nxpk= 20, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 228, 232,
&end
#
# 106 ASP HB+ 106 ASP HA 3.50 (# 3378:20 Unique 2.27, 2.62 A)
&rst
ixpk= 3378, nxpk= 20, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1788,1789,
&end
#
# 106 ASP HB- 106 ASP HA 3.50 (# 3379:20 Unique 2.27, 2.62 A)
&rst
ixpk= 3379, nxpk= 20, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1788,1789,
&end
#
# 0 AMB 20-2:3380 106 ASP HA 6.00 (# 3380:20 Single Ambig)
&rst
ixpk= 3380, nxpk= 20, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1776,1777,1776,1777,
&end
#
# 0 AMB 20-2:3381 106 ASP HA 6.00 (# 3381:20 Single Ambig)
&rst
ixpk= 3381, nxpk= 20, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1773,1774,1773,1774,
&end
#
# 17 VAL MGX 106 ASP HA 6.00 (# 3382:20 Unique 2.85, 4.57 A)
&rst
ixpk= 3382, nxpk= 20, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 17 VAL MGY 106 ASP HA 4.50 (# 3383:20 Unique 2.85, 4.57 A)
&rst
ixpk= 3383, nxpk= 20, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 106 ASP HN 106 ASP HB- 8.00 (# 3385:20 Unique 2.06, 3.01 A)
&rst
ixpk= 3385, nxpk= 20, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1788,1789,
&end
#
# 0 AMB 20-2:3386 0 AMB 20-1:3386 6.00 (# 3386:20 Double Ambig)
&rst
ixpk= 3386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 220,1577,1578,
igr2=1788,1789,1026,1027,
&end
#
# 0 AMB 20-2:3387 0 AMB 20-1:3387 6.00 (# 3387:20 Double Ambig)
&rst
ixpk= 3387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 220,1577,1578,
igr2=1788,1789,1026,1027,
&end
#
# 0 AMB 20-2:3389 0 AMB 20-1:3389 6.00 (# 3389:20 Double Ambig)
&rst
ixpk= 3389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1761,1762, 296,1057,1058,1057,1058,
igr2=1788,1789,1026,1027,
&end
#
# 17 VAL MGY 106 ASP HB- 6.00 (# 3392:20 Unique 1.85, 5.24 A)
&rst
ixpk= 3392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 300, 301, 302, 304, 305, 306,
igr2=1788,1789,
&end
#
# 17 VAL MGY 106 ASP HB+ 6.00 (# 3393:20 Unique 1.85, 5.24 A)
&rst
ixpk= 3393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 300, 301, 302, 304, 305, 306,
igr2=1788,1789,
&end
#
# 20 VAL MGX 107 GLY HA+ 6.00 (# 3394:20 Unique 2.51, 5.86 A)
&rst
ixpk= 3394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 343, 344, 345, 347, 348, 349,
igr2=1798,1799,
&end
#
# 108 PHE HN 108 PHE HB+ 6.00 (# 3395:20 Unique 2.07, 3.26 A)
&rst
ixpk= 3395, nxpk= 20, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1807,1808,
&end
#
# 108 PHE HN 108 PHE HB- 6.00 (# 3396:20 Unique 2.07, 3.26 A)
&rst
ixpk= 3396, nxpk= 20, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1807,1808,
&end
#
# 109 LEU HN 108 PHE HB- 6.00 (# 3397:20 Unique 1.88, 2.90 A)
&rst
ixpk= 3397, nxpk= 20, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1807,1808,
&end
#
# 109 LEU HN 108 PHE HB+ 6.00 (# 3398:20 Unique 1.88, 2.90 A)
&rst
ixpk= 3398, nxpk= 20, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1807,1808,
&end
#
# 110 TYR HD 108 PHE HB+ 6.00 (# 3399:20 Unique 3.28, 7.52 A)
&rst
ixpk= 3399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1850,1859,
igr2=1807,1808,
&end
#
# 110 TYR HD 108 PHE HB- 6.00 (# 3400:20 Unique 3.28, 7.52 A)
&rst
ixpk= 3400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1850,1859,
igr2=1807,1808,
&end
#
# 0 AMB 20-2:3401 0 AMB 20-1:3401 6.00 (# 3401:20 Double Ambig)
&rst
ixpk= 3401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1811,1819,1681,1690,
igr2=1807,1808,1807,1808,
&end
#
# 108 PHE HA 108 PHE HB+ 8.00 (# 3403:20 Unique 2.21, 2.71 A)
&rst
ixpk= 3403, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1807,1808,
&end
#
# 108 PHE HA 108 PHE HB- 6.00 (# 3404:20 Unique 2.21, 2.71 A)
&rst
ixpk= 3404, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1807,1808,
&end
#
# 34 ILE HG1- 108 PHE HB- 6.00 (# 3405:20 Unique 1.96, 4.72 A)
&rst
ixpk= 3405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 598, 599,
igr2=1807,1808,
&end
#
# 110 TYR HN 109 LEU HA 6.00 (# 3406:20 Unique 2.13, 2.16 A)
&rst
ixpk= 3406, nxpk= 20, iat=1842,1825, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3408 109 LEU HA 6.00 (# 3408:20 Single Ambig)
&rst
ixpk= 3408, nxpk= 20, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1827,1828,1830,
&end
#
# 109 LEU MDY 109 LEU HA 4.50 (# 3409:20 Unique 1.66, 3.53 A)
&rst
ixpk= 3409, nxpk= 20, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1832,1833,1834,1836,1837,1838,
&end
#
# 109 LEU HN 109 LEU HB+ 6.00 (# 3410:20 Unique 2.21, 2.77 A)
&rst
ixpk= 3410, nxpk= 20, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1827,1828,
&end
#
# 109 LEU HN 109 LEU HB- 6.00 (# 3411:20 Unique 2.21, 2.77 A)
&rst
ixpk= 3411, nxpk= 20, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1827,1828,
&end
#
# 0 AMB 20-2:3412 0 AMB 20-1:3412 6.00 (# 3412:20 Double Ambig)
&rst
ixpk= 3412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1681,1690,1811,1819,
igr2=1827,1828,1827,1828,
&end
#
# 0 AMB 20-2:3413 0 AMB 20-1:3413 8.00 (# 3413:20 Double Ambig)
&rst
ixpk= 3413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1683,1688, 917, 921,
igr2=1827,1828,1827,1828,
&end
#
# 0 AMB 20-2:3415 109 LEU HB- 6.00 (# 3415:20 Single Ambig)
&rst
ixpk= 3415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1681,1690,1811,1819,
igr2=1827,1828,
&end
#
# 33 VAL HA 109 LEU HB+ 6.00 (# 3416:20 Unique 2.00, 2.75 A)
&rst
ixpk= 3416, nxpk= 20, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1827,1828,
&end
#
# 109 LEU HA 109 LEU HB+ 6.00 (# 3417:20 Unique 2.41, 2.80 A)
&rst
ixpk= 3417, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1827,1828,
&end
#
# 109 LEU HA 109 LEU HB- 6.00 (# 3418:20 Unique 2.41, 2.80 A)
&rst
ixpk= 3418, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1827,1828,
&end
#
# 99 TYR HA 109 LEU HB- 8.00 (# 3419:20 Unique 2.07, 4.36 A)
&rst
ixpk= 3419, nxpk= 20, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1827,1828,
&end
#
# 0 AMB 20-2:3421 109 LEU HB- 3.50 (# 3421:20 Single Ambig)
&rst
ixpk= 3421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
igr2=1827,1828,
&end
#
# 31 ILE QG2 109 LEU HB- 8.00 (# 3422:20 Unique 2.55, 4.58 A)
&rst
ixpk= 3422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 545, 546, 547,
igr2=1827,1828,
&end
#
# 31 ILE QG2 109 LEU HB+ 6.00 (# 3423:20 Unique 2.55, 4.58 A)
&rst
ixpk= 3423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 545, 546, 547,
igr2=1827,1828,
&end
#
# 0 AMB 20-2:3424 21 ARG HG- 6.00 (# 3424:20 Single Ambig)
&rst
ixpk= 3424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 353, 377,
igr2= 360, 361,
&end
#
# 21 ARG HE 21 ARG HG- 6.00 (# 3425:20 Unique 2.11, 3.00 A)
&rst
ixpk= 3425, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 360, 361,
&end
#
# 99 TYR HD 109 LEU HG 6.00 (# 3426:20 Unique 1.99, 4.18 A)
&rst
ixpk= 3426, nxpk= 20, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1681,1690,
&end
#
# 109 LEU HA 109 LEU HG 6.00 (# 3428:20 Unique 2.63, 3.00 A)
&rst
ixpk= 3428, nxpk= 20, iat=1825,1830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 LEU HA 21 ARG HG- 6.00 (# 3429:20 Unique 5.39, 6.09 A)
&rst
ixpk= 3429, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 360, 361,
&end
#
# 21 ARG HD+ 21 ARG HG- 4.50 (# 3430:20 Unique 2.22, 2.67 A)
&rst
ixpk= 3430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 363, 364,
igr2= 360, 361,
&end
#
# 0 AMB 20-2:3431 0 AMB 20-1:3431 4.50 (# 3431:20 Double Ambig)
&rst
ixpk= 3431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1677,1678, 363, 364,
igr2=1830, 360, 361,
&end
#
# 0 AMB 20-2:3432 109 LEU HG 6.00 (# 3432:20 Single Ambig)
&rst
ixpk= 3432, nxpk= 20, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1870,1871,1870,1871,
&end
#
# 0 AMB 20-2:3433 109 LEU HG 4.50 (# 3433:20 Single Ambig)
&rst
ixpk= 3433, nxpk= 20, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1827,1828,1724,1725,
&end
#
# 110 TYR HN 109 LEU MDY 6.00 (# 3435:20 Unique 1.77, 4.55 A)
&rst
ixpk= 3435, nxpk= 20, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 99 TYR HN 109 LEU MDY 6.00 (# 3436:20 Unique 2.48, 4.81 A)
&rst
ixpk= 3436, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 102 GLU HN 109 LEU MDY 6.00 (# 3437:20 Unique 2.94, 5.19 A)
&rst
ixpk= 3437, nxpk= 20, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 20-2:3440 109 LEU MDY 6.00 (# 3440:20 Single Ambig)
&rst
ixpk= 3440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1850,1859,1694,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 99 TYR HD 109 LEU MDY 6.00 (# 3441:20 Unique 2.20, 5.71 A)
&rst
ixpk= 3441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1681,1690,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 111 MET HN 110 TYR HB+ 6.00 (# 3442:20 Unique 3.21, 4.15 A)
&rst
ixpk= 3442, nxpk= 20, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1846,1847,
&end
#
# 110 TYR HN 110 TYR HB+ 6.00 (# 3444:20 Unique 2.05, 2.84 A)
&rst
ixpk= 3444, nxpk= 20, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1846,1847,
&end
#
# 110 TYR HN 110 TYR HB- 6.00 (# 3445:20 Unique 2.05, 2.84 A)
&rst
ixpk= 3445, nxpk= 20, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1846,1847,
&end
#
# 0 AMB 20-2:3446 0 AMB 20-1:3446 3.50 (# 3446:20 Double Ambig)
&rst
ixpk= 3446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1850,1859, 180,
igr2=1846,1847, 101, 102,
&end
#
# 110 TYR HA 110 TYR HB+ 6.00 (# 3449:20 Unique 2.26, 2.73 A)
&rst
ixpk= 3449, nxpk= 20, iat=1844, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1846,1847,
&end
#
# 0 AMB 20-2:3450 99 TYR HB- 6.00 (# 3450:20 Single Ambig)
&rst
ixpk= 3450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1832,1833,1834,1836,1837,1838, 549, 550,
igr2=1677,1678,
&end
#
# 0 AMB 20-2:3451 0 AMB 20-1:3451 6.00 (# 3451:20 Double Ambig)
&rst
ixpk= 3451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1886,1887,1888,1890,1891,1892,1432,1433,
igr2= 669, 670, 669, 670,
&end
#
# 111 MET HN 0 AMB 20-1:3452 6.00 (# 3452:20 Single Ambig)
&rst
ixpk= 3452, nxpk= 20, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1867,1868,1867,1868,
&end
#
# 112 VAL HN 0 AMB 20-1:3453 4.50 (# 3453:20 Single Ambig)
&rst
ixpk= 3453, nxpk= 20, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1867,1868,1867,1868,
&end
#
# 35 ILE HA 0 AMB 20-1:3454 6.00 (# 3454:20 Single Ambig)
&rst
ixpk= 3454, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1867,1868,1867,1868,
&end
#
# 83 VAL HA 0 AMB 20-1:3455 8.00 (# 3455:20 Single Ambig)
&rst
ixpk= 3455, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=1867,1868,1867,1868,
&end
#
# 0 AMB 20-2:3456 0 AMB 20-1:3456 2.80 (# 3456:20 Double Ambig)
&rst
ixpk= 3456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1870,1871,1870,1871,1870,1871,
igr2=1867,1868,1867,1868,1867,1868,
&end
#
# 0 AMB 20-2:3457 0 AMB 20-1:3457 2.80 (# 3457:20 Double Ambig)
&rst
ixpk= 3457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,1418,1419,1420,1422,1423,1424,
igr2=1867,1868,1867,1868,1867,1868,1867,1868,
&end
#
# 111 MET HN 0 AMB 20-1:3458 6.00 (# 3458:20 Single Ambig)
&rst
ixpk= 3458, nxpk= 20, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1870,1871,1870,1871,
&end
#
# 112 VAL HN 0 AMB 20-1:3459 6.00 (# 3459:20 Single Ambig)
&rst
ixpk= 3459, nxpk= 20, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1870,1871,1870,1871,
&end
#
# 0 AMB 20-2:3460 0 AMB 20-1:3460 6.00 (# 3460:20 Double Ambig)
&rst
ixpk= 3460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1844, 609,1411,
igr2=1870,1871,1870,1871,1870,1871,1870,1871,
&end
#
# 0 AMB 20-2:3461 0 AMB 20-1:3461 2.80 (# 3461:20 Double Ambig)
&rst
ixpk= 3461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 458, 459,1867,1868,1867,1868,1867,1868,
igr2= 461, 462,1870,1871,1870,1871,1870,1871,
&end
#
# 111 MET ME 0 AMB 20-1:3462 2.80 (# 3462:20 Single Ambig)
&rst
ixpk= 3462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1874,1875,1876,
igr2=1870,1871,1870,1871,
&end
#
# 0 AMB 20-2:3463 0 AMB 20-1:3463 6.00 (# 3463:20 Double Ambig)
&rst
ixpk= 3463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1413,1414,1413,1414,1724,1725,
igr2=1870,1871,1870,1871,1870,1871,
&end
#
# 0 AMB 20-2:3464 0 AMB 20-1:3464 6.00 (# 3464:20 Double Ambig)
&rst
ixpk= 3464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1827,1828,1830,
igr2=1870,1871,1870,1871,1870,1871,
&end
#
# 63 LEU MDX 0 AMB 20-1:3465 3.50 (# 3465:20 Single Ambig)
&rst
ixpk= 3465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1088,1089,1090,1092,1093,1094,
igr2=1870,1871,1870,1871,
&end
#
# 112 VAL HN 112 VAL HA 6.00 (# 3466:20 Unique 2.93, 2.94 A)
&rst
ixpk= 3466, nxpk= 20, iat=1880,1882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 GLU HN 112 VAL HA 4.50 (# 3467:20 Unique 2.15, 2.87 A)
&rst
ixpk= 3467, nxpk= 20, iat= 626,1882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 TYR HN 112 VAL HA 3.50 (# 3468:20 Unique 2.13, 2.20 A)
&rst
ixpk= 3468, nxpk= 20, iat=1896,1882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 TYR HD 112 VAL HA 6.00 (# 3469:20 Unique 4.08, 6.20 A)
&rst
ixpk= 3469, nxpk= 20, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1904,1913,
&end
#
# 0 AMB 20-2:3470 112 VAL HA 8.00 (# 3470:20 Single Ambig)
&rst
ixpk= 3470, nxpk= 20, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 609,1411,
&end
#
# 37 ARG HA 112 VAL HA 8.00 (# 3471:20 Unique 4.04, 4.38 A)
&rst
ixpk= 3471, nxpk= 20, iat= 643,1882, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:3472 112 VAL HA 6.00 (# 3472:20 Single Ambig)
&rst
ixpk= 3472, nxpk= 20, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1884, 630, 631,
&end
#
# 0 AMB 20-2:3473 112 VAL HA 3.50 (# 3473:20 Single Ambig)
&rst
ixpk= 3473, nxpk= 20, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
&end
#
# 81 LEU MDY 112 VAL HA 6.00 (# 3474:20 Unique 5.10, 7.51 A)
&rst
ixpk= 3474, nxpk= 20, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1418,1419,1420,1422,1423,1424,
&end
#
# 35 ILE HG1+ 112 VAL HA 6.00 (# 3475:20 Unique 3.97, 5.38 A)
&rst
ixpk= 3475, nxpk= 20, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 617, 618,
&end
#
# 33 VAL HN 33 VAL HB 6.00 (# 3476:20 Unique 2.66, 2.97 A)
&rst
ixpk= 3476, nxpk= 20, iat= 572, 576, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 113 TYR HN 112 VAL HB 6.00 (# 3478:20 Unique 2.80, 3.02 A)
&rst
ixpk= 3478, nxpk= 20, iat=1896,1884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 TYR HD 112 VAL HB 8.00 (# 3479:20 Unique 3.45, 4.94 A)
&rst
ixpk= 3479, nxpk= 20, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 673, 682,
&end
#
# 113 TYR HD 112 VAL HB 8.00 (# 3480:20 Unique 5.60, 6.89 A)
&rst
ixpk= 3480, nxpk= 20, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1904,1913,
&end
#
# 38 TYR HA 112 VAL HB 6.00 (# 3481:20 Unique 2.05, 3.00 A)
&rst
ixpk= 3481, nxpk= 20, iat= 667,1884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 TYR HB+ 112 VAL HB 6.00 (# 3482:20 Unique 1.92, 3.03 A)
&rst
ixpk= 3482, nxpk= 20, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 669, 670,
&end
#
# 38 TYR HB- 112 VAL HB 6.00 (# 3483:20 Unique 1.92, 3.03 A)
&rst
ixpk= 3483, nxpk= 20, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 669, 670,
&end
#
# 82 LEU HB+ 112 VAL HB 6.00 (# 3484:20 Unique 2.00, 4.49 A)
&rst
ixpk= 3484, nxpk= 20, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1432,1433,
&end
#
# 39 LYS HG+ 112 VAL HB 8.00 (# 3485:20 Unique 6.02, 7.66 A)
&rst
ixpk= 3485, nxpk= 20, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 693, 694,
&end
#
# 0 AMB 20-2:3486 112 VAL HB 6.00 (# 3486:20 Single Ambig)
&rst
ixpk= 3486, nxpk= 20, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 20-2:3487 0 AMB 20-1:3487 6.00 (# 3487:20 Double Ambig)
&rst
ixpk= 3487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1428,1612,
igr2=1886,1887,1888,1890,1891,1892, 952, 953, 954, 956,
957, 958,
&end
#
# 0 AMB 20-2:3488 0 AMB 20-1:3488 6.00 (# 3488:20 Double Ambig)
&rst
ixpk= 3488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1673,1513,
igr2=1663,1664,1665,1667,1668,1669,1563,1564,1565,1567,
1568,1569,
&end
#
# 112 VAL HN 112 VAL MGX 3.50 (# 3489:20 Unique 1.72, 3.20 A)
&rst
ixpk= 3489, nxpk= 20, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1886,1887,1888,1890,1891,1892,
&end
#
# 52 PHE HD 54 VAL MGX 6.00 (# 3490:20 Unique 1.91, 7.09 A)
&rst
ixpk= 3490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 915, 923,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 114 ALA HN 113 TYR HB+ 6.00 (# 3491:20 Unique 2.52, 3.85 A)
&rst
ixpk= 3491, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1900,1901,
&end
#
# 114 ALA HN 113 TYR HB- 6.00 (# 3492:20 Unique 2.52, 3.85 A)
&rst
ixpk= 3492, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1900,1901,
&end
#
# 113 TYR HN 113 TYR HB- 8.00 (# 3493:20 Unique 2.40, 2.87 A)
&rst
ixpk= 3493, nxpk= 20, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1900,1901,
&end
#
# 113 TYR HN 113 TYR HB+ 8.00 (# 3494:20 Unique 2.40, 2.87 A)
&rst
ixpk= 3494, nxpk= 20, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1900,1901,
&end
#
# 113 TYR HE 113 TYR HB- 6.00 (# 3495:20 Unique 4.63, 5.06 A)
&rst
ixpk= 3495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1906,1911,
igr2=1900,1901,
&end
#
# 81 LEU HA 113 TYR HB- 8.00 (# 3496:20 Unique 2.70, 4.62 A)
&rst
ixpk= 3496, nxpk= 20, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1900,1901,
&end
#
# 0 AMB 20-2:3499 0 AMB 20-1:3499 6.00 (# 3499:20 Double Ambig)
&rst
ixpk= 3499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 611,2176,2177,
igr2= 911, 912, 911, 912,
&end
#
# 0 AMB 20-2:3500 113 TYR HB- 8.00 (# 3500:20 Single Ambig)
&rst
ixpk= 3500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1416,1921,1922,1923,
igr2=1900,1901,
&end
#
# 44 LEU MDX 113 TYR HB- 8.00 (# 3501:20 Unique 2.54, 6.94 A)
&rst
ixpk= 3501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1900,1901,
&end
#
# 35 ILE QG2 113 TYR HB- 6.00 (# 3503:20 Unique 4.81, 6.50 A)
&rst
ixpk= 3503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 613, 614, 615,
igr2=1900,1901,
&end
#
# 42 LYS HN 42 LYS HG+ 6.00 (# 3504:20 Unique 2.72, 3.83 A)
&rst
ixpk= 3504, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 737, 738,
&end
#
# 38 TYR HN 114 ALA MB 6.00 (# 3505:20 Unique 2.54, 4.45 A)
&rst
ixpk= 3505, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1921,1922,1923,
&end
#
# 41 GLU HN 114 ALA MB 8.00 (# 3506:20 Unique 5.12, 7.21 A)
&rst
ixpk= 3506, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1921,1922,1923,
&end
#
# 113 TYR HE 114 ALA MB 6.00 (# 3507:20 Unique 5.47, 7.53 A)
&rst
ixpk= 3507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1906,1911,
igr2=1921,1922,1923,
&end
#
# 113 TYR HA 114 ALA MB 6.00 (# 3508:20 Unique 4.35, 4.87 A)
&rst
ixpk= 3508, nxpk= 20, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1921,1922,1923,
&end
#
# 0 AMB 20-2:3509 114 ALA MB 8.00 (# 3509:20 Single Ambig)
&rst
ixpk= 3509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1=1931,1932,1506,1507,1506,1507,
igr2=1921,1922,1923,
&end
#
# 0 AMB 20-2:3510 0 AMB 20-1:3510 3.50 (# 3510:20 Double Ambig)
&rst
ixpk= 3510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 743, 744, 743, 744, 669, 670,
igr2= 737, 738, 737, 738,1921,1922,1923,
&end
#
# 0 AMB 20-2:3511 114 ALA MB 3.50 (# 3511:20 Single Ambig)
&rst
ixpk= 3511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 669, 670,1393,1394,
igr2=1921,1922,1923,
&end
#
# 0 AMB 20-2:3512 0 AMB 20-1:3512 4.50 (# 3512:20 Double Ambig)
&rst
ixpk= 3512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1900,1901, 722, 723, 722, 723,
igr2=1921,1922,1923, 737, 738,
&end
#
# 44 LEU HG 114 ALA MB 6.00 (# 3513:20 Unique 4.63, 5.84 A)
&rst
ixpk= 3513, nxpk= 20, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1921,1922,1923,
&end
#
# 115 SER HN 115 SER HA 6.00 (# 3514:20 Unique 2.91, 2.97 A)
&rst
ixpk= 3514, nxpk= 20, iat=1927,1929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3515 115 SER HA 6.00 (# 3515:20 Single Ambig)
&rst
ixpk= 3515, nxpk= 20, iat= -1,1929, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1938,1399,1403,
&end
#
# 80 PHE HD 115 SER HA 6.00 (# 3516:20 Unique 2.18, 4.17 A)
&rst
ixpk= 3516, nxpk= 20, iat= -1,1929, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1397,1405,
&end
#
# 78 ALA MB 115 SER HA 6.00 (# 3517:20 Unique 3.00, 5.10 A)
&rst
ixpk= 3517, nxpk= 20, iat= -1,1929, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1363,1364,1365,
&end
#
# 44 LEU MDX 115 SER HA 6.00 (# 3518:20 Unique 2.27, 4.52 A)
&rst
ixpk= 3518, nxpk= 20, iat= -1,1929, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 115 SER HN 115 SER HB+ 6.00 (# 3519:20 Unique 2.17, 3.11 A)
&rst
ixpk= 3519, nxpk= 20, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1931,1932,
&end
#
# 115 SER HN 115 SER HB- 6.00 (# 3520:20 Unique 2.17, 3.11 A)
&rst
ixpk= 3520, nxpk= 20, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1931,1932,
&end
#
# 93 THR HN 92 SER HB- 6.00 (# 3522:20 Unique 4.04, 4.43 A)
&rst
ixpk= 3522, nxpk= 20, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1577,1578,
&end
#
# 116 GLN HN 115 SER HB+ 8.00 (# 3524:20 Unique 3.98, 4.40 A)
&rst
ixpk= 3524, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1931,1932,
&end
#
# 0 AMB 20-2:3525 0 AMB 20-1:3525 6.00 (# 3525:20 Double Ambig)
&rst
ixpk= 3525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 151, 152,1397,1405,
igr2= 39, 40,1506,1507,1506,1507,
&end
#
# 79 PHE HD 115 SER HB+ 8.00 (# 3526:20 Unique 5.15, 7.46 A)
&rst
ixpk= 3526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1377,1385,
igr2=1931,1932,
&end
#
# 114 ALA HA 115 SER HB+ 6.00 (# 3527:20 Unique 4.03, 4.80 A)
&rst
ixpk= 3527, nxpk= 20, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1931,1932,
&end
#
# 115 SER HA 115 SER HB- 2.80 (# 3528:20 Unique 2.22, 2.50 A)
&rst
ixpk= 3528, nxpk= 20, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1931,1932,
&end
#
# 115 SER HA 115 SER HB+ 4.50 (# 3529:20 Unique 2.22, 2.50 A)
&rst
ixpk= 3529, nxpk= 20, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1931,1932,
&end
#
# 0 AMB 20-2:3530 0 AMB 20-1:3530 8.00 (# 3530:20 Double Ambig)
&rst
ixpk= 3530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 759, 760, 722, 723,
igr2=1931,1932,1931,1932,
&end
#
# 0 AMB 20-2:3531 0 AMB 20-1:3531 6.00 (# 3531:20 Double Ambig)
&rst
ixpk= 3531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.74, r4=12.24,
igr1= 756, 757,1534,1346,1347,1517,1518,
igr2=1931,1932,1506,1507,1506,1507,1506,1507,
&end
#
# 117 GLU HN 116 GLN HA 2.80 (# 3532:20 Unique 2.18, 2.47 A)
&rst
ixpk= 3532, nxpk= 20, iat=1955,1940, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 PHE HE 116 GLN HA 3.50 (# 3533:20 Unique 3.41, 4.60 A)
&rst
ixpk= 3533, nxpk= 20, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1399,1403,
&end
#
# 80 PHE HD 116 GLN HA 6.00 (# 3534:20 Unique 2.32, 4.00 A)
&rst
ixpk= 3534, nxpk= 20, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1397,1405,
&end
#
# 117 GLU HA 116 GLN HA 8.00 (# 3535:20 Unique 4.29, 4.36 A)
&rst
ixpk= 3535, nxpk= 20, iat=1957,1940, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 116 GLN HB- 116 GLN HA 3.50 (# 3536:20 Unique 2.32, 2.48 A)
&rst
ixpk= 3536, nxpk= 20, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1942,1943,
&end
#
# 0 AMB 20-2:3537 116 GLN HA 6.00 (# 3537:20 Single Ambig)
&rst
ixpk= 3537, nxpk= 20, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1962,1963,1921,1922,1923,
&end
#
# 117 GLU HB+ 116 GLN HA 8.00 (# 3538:20 Unique 3.97, 4.88 A)
&rst
ixpk= 3538, nxpk= 20, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1959,1960,
&end
#
# 117 GLU HB- 116 GLN HA 6.00 (# 3539:20 Unique 3.97, 4.88 A)
&rst
ixpk= 3539, nxpk= 20, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1959,1960,
&end
#
# 0 AMB 20-2:3540 47 LEU HA 3.50 (# 3540:20 Single Ambig)
&rst
ixpk= 3540, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
&end
#
# 116 GLN HN 116 GLN HB+ 6.00 (# 3542:20 Unique 2.77, 3.66 A)
&rst
ixpk= 3542, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1942,1943,
&end
#
# 118 THR HN 116 GLN HB+ 6.00 (# 3543:20 Unique 2.32, 3.73 A)
&rst
ixpk= 3543, nxpk= 20, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1942,1943,
&end
#
# 118 THR HN 116 GLN HB- 6.00 (# 3544:20 Unique 2.32, 3.73 A)
&rst
ixpk= 3544, nxpk= 20, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1942,1943,
&end
#
# 116 GLN HE2- 116 GLN HB- 8.00 (# 3545:20 Unique 2.02, 4.32 A)
&rst
ixpk= 3545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1950,1951,
igr2=1942,1943,
&end
#
# 0 AMB 20-2:3546 2 PRO HB- 8.00 (# 3546:20 Single Ambig)
&rst
ixpk= 3546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 873,2049,
igr2= 28, 29,
&end
#
# 0 AMB 20-2:3547 0 AMB 20-1:3547 6.00 (# 3547:20 Double Ambig)
&rst
ixpk= 3547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1130,1131,1130,1131,
igr2=1121,1122,1121,1122,
&end
#
# 46 VAL HN 46 VAL HB 3.50 (# 3551:20 Unique 2.50, 2.99 A)
&rst
ixpk= 3551, nxpk= 20, iat= 802, 806, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 GLU HN 116 GLN HG+ 8.00 (# 3552:20 Unique 2.76, 3.98 A)
&rst
ixpk= 3552, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1945,1946,
&end
#
# 117 GLU HN 116 GLN HG- 6.00 (# 3553:20 Unique 2.76, 3.98 A)
&rst
ixpk= 3553, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1945,1946,
&end
#
# 116 GLN HE2+ 116 GLN HG+ 6.00 (# 3554:20 Unique 2.15, 3.27 A)
&rst
ixpk= 3554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1950,1951,
igr2=1945,1946,
&end
#
# 118 THR HN 116 GLN HG+ 6.00 (# 3555:20 Unique 2.13, 3.82 A)
&rst
ixpk= 3555, nxpk= 20, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1945,1946,
&end
#
# 118 THR HN 116 GLN HG- 6.00 (# 3556:20 Unique 2.13, 3.82 A)
&rst
ixpk= 3556, nxpk= 20, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1945,1946,
&end
#
# 116 GLN HE2- 116 GLN HG+ 6.00 (# 3557:20 Unique 2.15, 3.27 A)
&rst
ixpk= 3557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1950,1951,
igr2=1945,1946,
&end
#
# 116 GLN HE2- 116 GLN HG- 6.00 (# 3558:20 Unique 2.15, 3.27 A)
&rst
ixpk= 3558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1950,1951,
igr2=1945,1946,
&end
#
# 0 AMB 20-2:3560 0 AMB 20-1:3560 4.50 (# 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=1940,1608, 85,
igr2=1945,1946,1605,1606, 806,
&end
#
# 116 GLN HB- 116 GLN HG+ 2.80 (# 3561:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1942,1943,
igr2=1945,1946,
&end
#
# 116 GLN HB- 116 GLN HG- 2.80 (# 3562:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1942,1943,
igr2=1945,1946,
&end
#
# 114 ALA MB 116 GLN HG+ 6.00 (# 3563:20 Unique 3.12, 5.31 A)
&rst
ixpk= 3563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1921,1922,1923,
igr2=1945,1946,
&end
#
# 0 AMB 20-2:3564 116 GLN HG- 6.00 (# 3564:20 Single Ambig)
&rst
ixpk= 3564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1921,1922,1923,1962,1963,
igr2=1945,1946,
&end
#
# 0 AMB 20-2:3566 117 GLU HA 8.00 (# 3566:20 Single Ambig)
&rst
ixpk= 3566, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1917,1389,
&end
#
# 0 AMB 20-2:3567 117 GLU HA 6.00 (# 3567:20 Single Ambig)
&rst
ixpk= 3567, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1399,1403,1498,
&end
#
# 116 GLN HE2- 117 GLU HA 8.00 (# 3568:20 Unique 4.86, 6.63 A)
&rst
ixpk= 3568, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1950,1951,
&end
#
# 80 PHE HB+ 117 GLU HA 6.00 (# 3569:20 Unique 3.89, 4.83 A)
&rst
ixpk= 3569, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1393,1394,
&end
#
# 80 PHE HB- 117 GLU HA 6.00 (# 3570:20 Unique 3.89, 4.83 A)
&rst
ixpk= 3570, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1393,1394,
&end
#
# 0 AMB 20-2:3571 117 GLU HA 8.00 (# 3571:20 Single Ambig)
&rst
ixpk= 3571, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1945,1946,1942,1943,
&end
#
# 0 AMB 20-2:3573 117 GLU HA 4.50 (# 3573:20 Single Ambig)
&rst
ixpk= 3573, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1962,1963,1432,1433,
&end
#
# 117 GLU HB+ 117 GLU HA 3.50 (# 3575:20 Unique 2.32, 2.57 A)
&rst
ixpk= 3575, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1959,1960,
&end
#
# 117 GLU HB- 117 GLU HA 3.50 (# 3576:20 Unique 2.32, 2.57 A)
&rst
ixpk= 3576, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1959,1960,
&end
#
# 118 THR MG2 117 GLU HA 6.00 (# 3577:20 Unique 3.79, 5.67 A)
&rst
ixpk= 3577, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1976,1977,1978,
&end
#
# 0 AMB 20-2:3578 117 GLU HA 4.50 (# 3578:20 Single Ambig)
&rst
ixpk= 3578, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 117 GLU HN 117 GLU HB+ 4.50 (# 3579:20 Unique 2.17, 2.95 A)
&rst
ixpk= 3579, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1959,1960,
&end
#
# 117 GLU HN 117 GLU HB- 4.50 (# 3580:20 Unique 2.17, 2.95 A)
&rst
ixpk= 3580, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1959,1960,
&end
#
# 80 PHE HE 117 GLU HB+ 6.00 (# 3581:20 Unique 2.78, 6.79 A)
&rst
ixpk= 3581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1399,1403,
igr2=1959,1960,
&end
#
# 86 HIS HD2 117 GLU HB- 6.00 (# 3582:20 Unique 4.78, 6.59 A)
&rst
ixpk= 3582, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1959,1960,
&end
#
# 118 THR HN 117 GLU HB- 6.00 (# 3583:20 Unique 1.93, 3.59 A)
&rst
ixpk= 3583, nxpk= 20, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1959,1960,
&end
#
# 118 THR HN 117 GLU HB+ 6.00 (# 3584:20 Unique 1.93, 3.59 A)
&rst
ixpk= 3584, nxpk= 20, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1959,1960,
&end
#
# 116 GLN HA 117 GLU HB+ 8.00 (# 3585:20 Unique 3.97, 4.88 A)
&rst
ixpk= 3585, nxpk= 20, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1959,1960,
&end
#
# 0 AMB 20-2:3586 0 AMB 20-1:3586 6.00 (# 3586:20 Double Ambig)
&rst
ixpk= 3586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1940,2064,
igr2=1959,1960, 406, 407,
&end
#
# 0 AMB 20-2:3587 0 AMB 20-1:3587 6.00 (# 3587:20 Double Ambig)
&rst
ixpk= 3587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1972, 379,
igr2=1959,1960, 406, 407,
&end
#
# 0 AMB 20-2:3588 117 GLU HB- 8.00 (# 3588:20 Single Ambig)
&rst
ixpk= 3588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1506,1507,1506,1507,
igr2=1959,1960,
&end
#
# 0 AMB 20-2:3589 0 AMB 20-1:3589 8.00 (# 3589:20 Double Ambig)
&rst
ixpk= 3589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1506,1507,1506,1507,
igr2=1959,1960,1959,1960,
&end
#
# 117 GLU HA 117 GLU HB+ 4.50 (# 3590:20 Unique 2.32, 2.57 A)
&rst
ixpk= 3590, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1959,1960,
&end
#
# 0 AMB 20-2:3591 0 AMB 20-1:3591 3.50 (# 3591:20 Double Ambig)
&rst
ixpk= 3591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1957, 339,
igr2=1959,1960, 406, 407,
&end
#
# 117 GLU HG+ 117 GLU HB+ 3.50 (# 3592:20 Unique 2.21, 2.69 A)
&rst
ixpk= 3592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1962,1963,
igr2=1959,1960,
&end
#
# 0 AMB 20-2:3593 0 AMB 20-1:3593 3.50 (# 3593:20 Double Ambig)
&rst
ixpk= 3593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1962,1963, 527, 528, 527, 528,
igr2=1959,1960, 406, 407,
&end
#
# 117 GLU HG- 117 GLU HB+ 3.50 (# 3594:20 Unique 2.21, 2.69 A)
&rst
ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1962,1963,
igr2=1959,1960,
&end
#
# 117 GLU HG- 117 GLU HB- 4.50 (# 3595:20 Unique 2.21, 2.69 A)
&rst
ixpk= 3595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1962,1963,
igr2=1959,1960,
&end
#
# 0 AMB 20-2:3599 0 AMB 20-1:3599 6.00 (# 3599:20 Double Ambig)
&rst
ixpk= 3599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1976,1977,1978, 402, 403, 404,
igr2=1959,1960, 406, 407,
&end
#
# 0 AMB 20-2:3600 0 AMB 20-1:3600 6.00 (# 3600:20 Double Ambig)
&rst
ixpk= 3600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1959,1960,1959,1960,
&end
#
# 86 HIS HD2 117 GLU HG+ 6.00 (# 3602:20 Unique 4.06, 6.07 A)
&rst
ixpk= 3602, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1962,1963,
&end
#
# 86 HIS HD2 117 GLU HG- 6.00 (# 3603:20 Unique 4.06, 6.07 A)
&rst
ixpk= 3603, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1962,1963,
&end
#
# 80 PHE HD 117 GLU HG- 6.00 (# 3604:20 Unique 2.84, 7.62 A)
&rst
ixpk= 3604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1397,1405,
igr2=1962,1963,
&end
#
# 80 PHE HD 117 GLU HG+ 6.00 (# 3605:20 Unique 2.84, 7.62 A)
&rst
ixpk= 3605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1397,1405,
igr2=1962,1963,
&end
#
# 116 GLN HA 117 GLU HG+ 8.00 (# 3606:20 Unique 4.28, 5.80 A)
&rst
ixpk= 3606, nxpk= 20, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1962,1963,
&end
#
# 0 AMB 20-2:3607 0 AMB 20-1:3607 6.00 (# 3607:20 Double Ambig)
&rst
ixpk= 3607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1506,1507,1506,1507,1974,
igr2=1962,1963,1962,1963,1962,1963,
&end
#
# 0 AMB 20-2:3608 117 GLU HG- 6.00 (# 3608:20 Single Ambig)
&rst
ixpk= 3608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1506,1507,1506,1507,1974,
igr2=1962,1963,
&end
#
# 117 GLU HA 117 GLU HG+ 6.00 (# 3609:20 Unique 2.15, 3.35 A)
&rst
ixpk= 3609, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1962,1963,
&end
#
# 117 GLU HB+ 117 GLU HG+ 2.80 (# 3613:20 Unique 2.21, 2.69 A)
&rst
ixpk= 3613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1959,1960,
igr2=1962,1963,
&end
#
# 117 GLU HB+ 117 GLU HG- 2.80 (# 3614:20 Unique 2.21, 2.69 A)
&rst
ixpk= 3614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1959,1960,
igr2=1962,1963,
&end
#
# 0 AMB 20-2:3615 0 AMB 20-1:3615 2.80 (# 3615:20 Double Ambig)
&rst
ixpk= 3615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1959,1960, 524, 525,
igr2=1962,1963, 521, 522,
&end
#
# 118 THR MG2 117 GLU HG+ 4.50 (# 3616:20 Unique 2.06, 4.33 A)
&rst
ixpk= 3616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1976,1977,1978,
igr2=1962,1963,
&end
#
# 0 AMB 20-2:3617 117 GLU HG- 6.00 (# 3617:20 Single Ambig)
&rst
ixpk= 3617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1962,1963,
&end
#
# 119 PHE HN 118 THR HA 2.80 (# 3618:20 Unique 2.14, 2.37 A)
&rst
ixpk= 3618, nxpk= 20, iat=1984,1972, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:3619 118 THR HA 8.00 (# 3619:20 Single Ambig)
&rst
ixpk= 3619, nxpk= 20, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=2004,1955,
&end
#
# 118 THR HN 118 THR HA 4.50 (# 3620:20 Unique 2.91, 2.92 A)
&rst
ixpk= 3620, nxpk= 20, iat=1970,1972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 GLN HE2- 118 THR HA 8.00 (# 3621:20 Unique 3.29, 6.17 A)
&rst
ixpk= 3621, nxpk= 20, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1950,1951,
&end
#
# 0 AMB 20-2:3622 118 THR HA 6.00 (# 3622:20 Single Ambig)
&rst
ixpk= 3622, nxpk= 20, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1992,2000,1994,1998,
&end
#
# 119 PHE HA 118 THR HA 6.00 (# 3625:20 Unique 4.30, 4.40 A)
&rst
ixpk= 3625, nxpk= 20, iat=1986,1972, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 THR HB 118 THR HA 2.80 (# 3627:20 Unique 2.37, 2.58 A)
&rst
ixpk= 3627, nxpk= 20, iat=1974,1972, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 118 THR MG2 118 THR HA 3.50 (# 3628:20 Unique 2.35, 3.19 A)
&rst
ixpk= 3628, nxpk= 20, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1976,1977,1978,
&end
#
# 0 AMB 20-2:3629 118 THR HA 6.00 (# 3629:20 Single Ambig)
&rst
ixpk= 3629, nxpk= 20, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 119 PHE HN 118 THR HB 6.00 (# 3630:20 Unique 1.97, 2.89 A)
&rst
ixpk= 3630, nxpk= 20, iat=1984,1974, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 120 GLY HN 118 THR HB 8.00 (# 3631:20 Unique 2.87, 5.32 A)
&rst
ixpk= 3631, nxpk= 20, iat=2004,1974, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 118 THR HN 118 THR HB 6.00 (# 3632:20 Unique 3.25, 3.67 A)
&rst
ixpk= 3632, nxpk= 20, iat=1970,1974, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 THR HA 118 THR HB 3.50 (# 3637:20 Unique 2.37, 2.58 A)
&rst
ixpk= 3637, nxpk= 20, iat=1972,1974, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 GLU HB+ 118 THR HB 8.00 (# 3639:20 Unique 4.39, 5.85 A)
&rst
ixpk= 3639, nxpk= 20, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1959,1960,
&end
#
# 118 THR MG2 118 THR HB 2.80 (# 3640:20 Unique 2.45, 2.65 A)
&rst
ixpk= 3640, nxpk= 20, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1976,1977,1978,
&end
#
# 119 PHE HN 118 THR MG2 6.00 (# 3641:20 Unique 2.82, 4.20 A)
&rst
ixpk= 3641, nxpk= 20, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1976,1977,1978,
&end
#
# 118 THR HN 118 THR MG2 6.00 (# 3642:20 Unique 2.44, 4.06 A)
&rst
ixpk= 3642, nxpk= 20, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1976,1977,1978,
&end
#
# 118 THR HA 118 THR MG2 3.50 (# 3644:20 Unique 2.35, 3.19 A)
&rst
ixpk= 3644, nxpk= 20, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1976,1977,1978,
&end
#
# 118 THR HB 118 THR MG2 2.80 (# 3645:20 Unique 2.45, 2.65 A)
&rst
ixpk= 3645, nxpk= 20, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1976,1977,1978,
&end
#
# 119 PHE HN 119 PHE HB+ 6.00 (# 3646:20 Unique 2.18, 3.19 A)
&rst
ixpk= 3646, nxpk= 20, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1988,1989,
&end
#
# 120 GLY HN 119 PHE HB+ 6.00 (# 3647:20 Unique 2.16, 3.66 A)
&rst
ixpk= 3647, nxpk= 20, iat=2004, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1988,1989,
&end
#
# 120 GLY HN 119 PHE HB- 6.00 (# 3648:20 Unique 2.16, 3.66 A)
&rst
ixpk= 3648, nxpk= 20, iat=2004, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1988,1989,
&end
#
# 118 THR HA 119 PHE HB- 8.00 (# 3649:20 Unique 4.03, 4.96 A)
&rst
ixpk= 3649, nxpk= 20, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1988,1989,
&end
#
# 0 AMB 20-2:3655 0 AMB 20-1:3655 6.00 (# 3655:20 Double Ambig)
&rst
ixpk= 3655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.09, r4=14.59,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443, 594, 595, 596, 300, 301, 302, 304, 305,
306,
igr2= 669, 670, 669, 670, 101, 102, 222, 223,
&end
#
# 120 GLY HN 120 GLY HA+ 2.80 (# 3656:20 Unique 2.30, 2.73 A)
&rst
ixpk= 3656, nxpk= 20, iat=2004, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2006,2007,
&end
#
# 118 THR MG2 120 GLY HA+ 6.00 (# 3657:20 Unique 3.73, 7.76 A)
&rst
ixpk= 3657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1976,1977,1978,
igr2=2006,2007,
&end
#
# 0 AMB 20-2:3666 67 ILE HA 6.00 (# 3666:20 Single Ambig)
&rst
ixpk= 3666, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1235,1236,1211,1212,1211,1212,
&end
#
# 0 AMB 20-2:3667 0 AMB 20-1:3667 4.50 (# 3667:20 Double Ambig)
&rst
ixpk= 3667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1506,1507,1506,1507,1506,1507,
&end
#
# 117 GLU HA 0 AMB 20-1:3669 8.00 (# 3669:20 Single Ambig)
&rst
ixpk= 3669, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=1506,1507,1506,1507,
&end
#
# 0 AMB 20-2:3676 0 AMB 20-1:3676 6.00 (# 3676:20 Double Ambig)
&rst
ixpk= 3676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1= 966, 967, 966, 967,1517,1518,1517,1518,
igr2=1008,1057,1058,1057,1058,
&end
#
# 113 TYR HE 46 VAL HA 6.00 (# 3685:20 Unique 3.41, 6.43 A)
&rst
ixpk= 3685, nxpk= 20, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1906,1911,
&end
#
# 47 LEU HA 46 VAL HA 8.00 (# 3686:20 Unique 4.37, 4.45 A)
&rst
ixpk= 3686, nxpk= 20, iat= 820, 804, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:3687 46 VAL HA 8.00 (# 3687:20 Single Ambig)
&rst
ixpk= 3687, nxpk= 20, iat= -1, 804, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 645, 646, 773, 774,
&end
#
# 12 THR HN 12 THR HA 6.00 (# 3688:20 Unique 2.82, 2.91 A)
&rst
ixpk= 3688, nxpk= 20, iat= 204, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 PHE HB+ 12 THR HA 8.00 (# 3689:20 Unique 4.53, 5.10 A)
&rst
ixpk= 3689, nxpk= 20, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 222, 223,
&end
#
# 0 AMB 20-2:3690 12 THR HA 6.00 (# 3690:20 Single Ambig)
&rst
ixpk= 3690, nxpk= 20, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 222, 223, 101, 102,
&end
#
# 0 AMB 20-2:3693 61 SER HA 6.00 (# 3693:20 Single Ambig)
&rst
ixpk= 3693, nxpk= 20, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1064,1557,1036,
&end
#
# 65 LYS HN 61 SER HA 6.00 (# 3694:20 Unique 3.76, 4.07 A)
&rst
ixpk= 3694, nxpk= 20, iat=1117,1055, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3696 61 SER HA 2.80 (# 3696:20 Single Ambig)
&rst
ixpk= 3696, nxpk= 20, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1057,1058,1057,1058,
&end
#
# 7 PHE HB+ 6 THR HA 8.00 (# 3698:20 Unique 4.27, 5.05 A)
&rst
ixpk= 3698, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 101, 102,
&end
#
# 13 PHE HB- 14 GLU HA 8.00 (# 3699:20 Unique 3.74, 4.66 A)
&rst
ixpk= 3699, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 222, 223,
&end
#
# 62 GLU HA 65 LYS HA 6.00 (# 3700:20 Unique 5.14, 5.78 A)
&rst
ixpk= 3700, nxpk= 20, iat=1066,1119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 PHE HB- 118 THR HA 6.00 (# 3704:20 Unique 4.03, 4.96 A)
&rst
ixpk= 3704, nxpk= 20, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1988,1989,
&end
#
# 104 ASP HB+ 105 GLU HA 8.00 (# 3709:20 Unique 4.69, 5.45 A)
&rst
ixpk= 3709, nxpk= 20, iat= -1,1771, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1761,1762,
&end
#
# 38 TYR HD 39 LYS HA 6.00 (# 3711:20 Unique 4.50, 5.95 A)
&rst
ixpk= 3711, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 673, 682,
&end
#
# 16 ARG HN 15 GLN HA 6.00 (# 3714:20 Unique 3.50, 3.54 A)
&rst
ixpk= 3714, nxpk= 20, iat= 270, 255, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ARG HN 10 ARG HA 6.00 (# 3727:20 Unique 2.82, 2.92 A)
&rst
ixpk= 3727, nxpk= 20, iat= 156, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3728 10 ARG HA 6.00 (# 3728:20 Single Ambig)
&rst
ixpk= 3728, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 180, 139,
&end
#
# 0 AMB 20-2:3730 10 ARG HA 8.00 (# 3730:20 Single Ambig)
&rst
ixpk= 3730, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 166, 167, 166, 167,
&end
#
# 0 AMB 20-2:3731 10 ARG HA 6.00 (# 3731:20 Single Ambig)
&rst
ixpk= 3731, nxpk= 20, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 190, 191, 190, 191,
&end
#
# 102 GLU HN 103 LYS HA 8.00 (# 3732:20 Unique 4.21, 4.33 A)
&rst
ixpk= 3732, nxpk= 20, iat=1720,1737, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 86 HIS HB+ 117 GLU HA 8.00 (# 3734:20 Unique 6.35, 6.97 A)
&rst
ixpk= 3734, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1488,1489,
&end
#
# 103 LYS HD+ 103 LYS HA 6.00 (# 3738:20 Unique 2.08, 3.82 A)
&rst
ixpk= 3738, nxpk= 20, iat= -1,1737, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1745,1746,
&end
#
# 103 LYS HB- 103 LYS HA 4.50 (# 3739:20 Unique 2.29, 2.77 A)
&rst
ixpk= 3739, nxpk= 20, iat= -1,1737, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1739,1740,
&end
#
# 103 LYS HB+ 103 LYS HA 3.50 (# 3740:20 Unique 2.29, 2.77 A)
&rst
ixpk= 3740, nxpk= 20, iat= -1,1737, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1739,1740,
&end
#
# 0 AMB 20-2:3741 9 GLN HA 6.00 (# 3741:20 Single Ambig)
&rst
ixpk= 3741, nxpk= 20, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 124, 125, 65, 66, 65, 66, 121, 122, 163, 164,
&end
#
# 9 GLN HB- 9 GLN HA 3.50 (# 3742:20 Unique 2.35, 2.77 A)
&rst
ixpk= 3742, nxpk= 20, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 143, 144,
&end
#
# 0 AMB 20-2:3743 9 GLN HA 3.50 (# 3743:20 Single Ambig)
&rst
ixpk= 3743, nxpk= 20, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 146, 147, 146, 147,
&end
#
# 9 GLN HN 9 GLN HA 6.00 (# 3744:20 Unique 2.82, 2.93 A)
&rst
ixpk= 3744, nxpk= 20, iat= 139, 141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3745 0 AMB 20-1:3745 6.00 (# 3745:20 Double Ambig)
&rst
ixpk= 3745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 156,1823,
igr2= 141,1737,
&end
#
# 102 GLU HN 103 LYS HA 8.00 (# 3747:20 Unique 4.21, 4.33 A)
&rst
ixpk= 3747, nxpk= 20, iat=1720,1737, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 104 ASP HN 103 LYS HA 3.50 (# 3749:20 Unique 2.14, 2.20 A)
&rst
ixpk= 3749, nxpk= 20, iat=1757,1737, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:3750 56 ASP HA 8.00 (# 3750:20 Single Ambig)
&rst
ixpk= 3750, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 990, 507, 948,
&end
#
# 31 ILE HN 56 ASP HA 8.00 (# 3751:20 Unique 2.70, 4.43 A)
&rst
ixpk= 3751, nxpk= 20, iat= 539, 978, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 73 LEU MDY 77 GLN HA 8.00 (# 3752:20 Unique 4.82, 7.39 A)
&rst
ixpk= 3752, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 74 ASN HA 73 LEU HA 6.00 (# 3765:20 Unique 4.40, 4.53 A)
&rst
ixpk= 3765, nxpk= 20, iat=1306,1287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3790 55 PRO HD- 6.00 (# 3790:20 Single Ambig)
&rst
ixpk= 3790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1008, 978,
igr2= 963, 964,
&end
#
# 0 AMB 20-2:3794 55 PRO HD- 8.00 (# 3794:20 Single Ambig)
&rst
ixpk= 3794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1010,2240,2241,
igr2= 963, 964,
&end
#
# 43 GLN HA 45 PRO HD+ 6.00 (# 3804:20 Unique 4.64, 6.08 A)
&rst
ixpk= 3804, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 789, 790,
&end
#
# 43 GLN HA 45 PRO HD- 8.00 (# 3805:20 Unique 4.64, 6.08 A)
&rst
ixpk= 3805, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 789, 790,
&end
#
# 47 LEU HA 45 PRO HD- 8.00 (# 3806:20 Unique 6.75, 7.73 A)
&rst
ixpk= 3806, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 789, 790,
&end
#
# 27 HIS HB- 28 PRO HD+ 8.00 (# 3812:20 Unique 3.60, 4.71 A)
&rst
ixpk= 3812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 475, 476,
igr2= 490, 491,
&end
#
# 20 VAL MGY 107 GLY HA- 4.50 (# 3826:20 Unique 2.51, 5.86 A)
&rst
ixpk= 3826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 343, 344, 345, 347, 348, 349,
igr2=1798,1799,
&end
#
# 107 GLY HN 107 GLY HA+ 6.00 (# 3827:20 Unique 2.30, 2.65 A)
&rst
ixpk= 3827, nxpk= 20, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1798,1799,
&end
#
# 20 VAL MGY 107 GLY HA+ 4.50 (# 3830:20 Unique 2.51, 5.86 A)
&rst
ixpk= 3830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 343, 344, 345, 347, 348, 349,
igr2=1798,1799,
&end
#
# 0 AMB 20-2:3855 0 AMB 20-1:3855 6.00 (# 3855:20 Double Ambig)
&rst
ixpk= 3855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 190, 191, 190, 191, 190, 191,
igr2= 166, 167, 166, 167, 166, 167,
&end
#
# 68 ARG HD- 0 AMB 20-1:3856 6.00 (# 3856:20 Single Ambig)
&rst
ixpk= 3856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1187,1188,
igr2=1211,1212,1211,1212,
&end
#
# 0 AMB 20-2:3858 0 AMB 20-1:3858 6.00 (# 3858:20 Double Ambig)
&rst
ixpk= 3858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1184,1185,1184,1185,
igr2=1211,1212,1211,1212,
&end
#
# 12 THR HN 0 AMB 20-1:3859 8.00 (# 3859:20 Single Ambig)
&rst
ixpk= 3859, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 190, 191, 190, 191,
&end
#
# 11 ARG HE 0 AMB 20-1:3860 6.00 (# 3860:20 Single Ambig)
&rst
ixpk= 3860, nxpk= 20, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 190, 191, 190, 191,
&end
#
# 11 ARG HN 0 AMB 20-1:3861 6.00 (# 3861:20 Single Ambig)
&rst
ixpk= 3861, nxpk= 20, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 190, 191, 190, 191,
&end
#
# 0 AMB 20-2:3868 0 AMB 20-1:3868 6.00 (# 3868:20 Double Ambig)
&rst
ixpk= 3868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 184, 185, 892, 893, 892, 893,
igr2= 190, 191, 190, 191, 190, 191,
&end
#
# 0 AMB 20-2:3869 71 LEU HB- 4.50 (# 3869:20 Single Ambig)
&rst
ixpk= 3869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1292,1232,1233,
igr2=1253,1254,
&end
#
# 0 AMB 20-2:3872 0 AMB 20-1:3872 6.00 (# 3872:20 Double Ambig)
&rst
ixpk= 3872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1813,1817, 283,
igr2= 280, 281, 280, 281,
&end
#
# 0 AMB 20-2:3873 16 ARG HD- 6.00 (# 3873:20 Single Ambig)
&rst
ixpk= 3873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1813,1817, 283,
igr2= 280, 281,
&end
#
# 129 TYR HH 16 ARG HD+ 8.00 (# 3874:20 Unique 5.71, 7.21 A)
&rst
ixpk= 3874, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 280, 281,
&end
#
# 28 PRO HA 24 ARG HD+ 8.00 (# 3880:20 Unique 2.80, 4.22 A)
&rst
ixpk= 3880, nxpk= 20, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 425, 426,
&end
#
# 24 ARG HA 24 ARG HD+ 3.50 (# 3881:20 Unique 1.95, 3.04 A)
&rst
ixpk= 3881, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 425, 426,
&end
#
# 24 ARG HA 24 ARG HD- 6.00 (# 3882:20 Unique 1.95, 3.04 A)
&rst
ixpk= 3882, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:3886 0 AMB 20-1:3886 6.00 (# 3886:20 Double Ambig)
&rst
ixpk= 3886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 898, 899, 419, 420,
igr2= 280, 281, 425, 426,
&end
#
# 0 AMB 20-2:3887 0 AMB 20-1:3887 4.50 (# 3887:20 Double Ambig)
&rst
ixpk= 3887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 898, 899, 419, 420,
igr2= 280, 281, 425, 426,
&end
#
# 0 AMB 20-2:3888 24 ARG HD- 3.50 (# 3888:20 Single Ambig)
&rst
ixpk= 3888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 419, 420, 422, 423,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:3889 0 AMB 20-1:3889 3.50 (# 3889:20 Double Ambig)
&rst
ixpk= 3889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 562, 563, 422, 423, 277, 278, 277, 278,
igr2= 425, 426, 280, 281,
&end
#
# 0 AMB 20-2:3890 0 AMB 20-1:3890 3.50 (# 3890:20 Double Ambig)
&rst
ixpk= 3890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 419, 420, 422, 423,
igr2= 425, 426, 425, 426,
&end
#
# 0 AMB 20-2:3891 0 AMB 20-1:3891 3.50 (# 3891:20 Double Ambig)
&rst
ixpk= 3891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 562, 563, 422, 423, 277, 278, 277, 278,
igr2= 425, 426, 425, 426, 280, 281, 280, 281,
&end
#
# 0 AMB 20-2:3892 0 AMB 20-1:3892 6.00 (# 3892:20 Double Ambig)
&rst
ixpk= 3892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 184, 185, 402, 403, 404,
igr2= 280, 281, 425, 426,
&end
#
# 0 AMB 20-2:3893 0 AMB 20-1:3893 6.00 (# 3893:20 Double Ambig)
&rst
ixpk= 3893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 184, 185, 402, 403, 404,
igr2= 280, 281, 425, 426,
&end
#
# 20 VAL MGY 16 ARG HD- 6.00 (# 3894:20 Unique 2.05, 5.83 A)
&rst
ixpk= 3894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 280, 281,
&end
#
# 20 VAL MGY 16 ARG HD+ 6.00 (# 3895:20 Unique 2.05, 5.83 A)
&rst
ixpk= 3895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 280, 281,
&end
#
# 0 AMB 20-2:3903 0 AMB 20-1:3903 6.00 (# 3903:20 Double Ambig)
&rst
ixpk= 3903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 734, 735, 734, 735,
igr2= 743, 744, 743, 744,
&end
#
# 42 LYS HG- 0 AMB 20-1:3904 3.50 (# 3904:20 Single Ambig)
&rst
ixpk= 3904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 737, 738,
igr2= 743, 744, 743, 744,
&end
#
# 27 HIS HD2 0 AMB 20-1:3911 6.00 (# 3911:20 Single Ambig)
&rst
ixpk= 3911, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 530, 531, 530, 531,
&end
#
# 62 GLU HA 0 AMB 20-1:3912 6.00 (# 3912:20 Single Ambig)
&rst
ixpk= 3912, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1130,1131,1130,1131,
&end
#
# 31 ILE HA 56 ASP HB- 8.00 (# 3923:20 Unique 3.83, 5.32 A)
&rst
ixpk= 3923, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 980, 981,
&end
#
# 48 ASP HA 48 ASP HB- 2.80 (# 3924:20 Unique 2.30, 2.59 A)
&rst
ixpk= 3924, nxpk= 20, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 841, 842,
&end
#
# 77 GLN HB- 74 ASN HB+ 8.00 (# 3927:20 Unique 1.99, 4.08 A)
&rst
ixpk= 3927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1346,1347,
igr2=1308,1309,
&end
#
# 17 VAL HA 13 PHE HB+ 8.00 (# 3928:20 Unique 6.82, 7.50 A)
&rst
ixpk= 3928, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 222, 223,
&end
#
# 116 GLN HE2+ 119 PHE HB+ 8.00 (# 3929:20 Unique 2.52, 5.95 A)
&rst
ixpk= 3929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1950,1951,
igr2=1988,1989,
&end
#
# 0 AMB 20-2:3930 0 AMB 20-1:3930 6.00 (# 3930:20 Double Ambig)
&rst
ixpk= 3930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 719, 720, 719, 720,
igr2=1988,1989, 669, 670,
&end
#
# 0 AMB 20-2:3931 0 AMB 20-1:3931 8.00 (# 3931:20 Double Ambig)
&rst
ixpk= 3931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1= 719, 720, 242, 243,1807,1808,
igr2= 669, 670, 222, 223,1846,1847,
&end
#
# 0 AMB 20-2:3932 0 AMB 20-1:3932 6.00 (# 3932:20 Double Ambig)
&rst
ixpk= 3932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1884, 630, 631,
igr2= 669, 670, 101, 102,
&end
#
# 0 AMB 20-2:3933 0 AMB 20-1:3933 8.00 (# 3933:20 Double Ambig)
&rst
ixpk= 3933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.79, r4=15.29,
igr1= 163, 164,1724,1725, 121, 122, 121, 122, 124, 125,
igr2= 101, 102,1846,1847,
&end
#
# 0 AMB 20-2:3935 38 TYR HB- 6.00 (# 3935:20 Single Ambig)
&rst
ixpk= 3935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 719, 720,1900,1901,
igr2= 669, 670,
&end
#
# 52 PHE HE 35 ILE HB 8.00 (# 3937:20 Unique 1.89, 4.94 A)
&rst
ixpk= 3937, nxpk= 20, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 917, 921,
&end
#
# 100 GLU HA 99 TYR HB+ 8.00 (# 3938:20 Unique 4.42, 5.13 A)
&rst
ixpk= 3938, nxpk= 20, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1677,1678,
&end
#
# 32 PRO HD- 99 TYR HB+ 6.00 (# 3939:20 Unique 4.58, 6.49 A)
&rst
ixpk= 3939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 559, 560,
igr2=1677,1678,
&end
#
# 24 ARG HN 23 ILE HB 6.00 (# 3945:20 Unique 3.63, 3.69 A)
&rst
ixpk= 3945, nxpk= 20, iat= 415, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3948 23 ILE HB 6.00 (# 3948:20 Single Ambig)
&rst
ixpk= 3948, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2133, 466, 467,
&end
#
# 0 AMB 20-2:3949 23 ILE HB 6.00 (# 3949:20 Single Ambig)
&rst
ixpk= 3949, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 339, 329, 330, 329, 330,
&end
#
# 0 AMB 20-2:3950 0 AMB 20-1:3950 6.00 (# 3950:20 Double Ambig)
&rst
ixpk= 3950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 521, 522, 521, 522,
igr2= 543, 400,
&end
#
# 23 ILE HG1+ 23 ILE HB 6.00 (# 3951:20 Unique 2.21, 2.60 A)
&rst
ixpk= 3951, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 406, 407,
&end
#
# 0 AMB 20-2:3952 23 ILE HB 8.00 (# 3952:20 Single Ambig)
&rst
ixpk= 3952, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 936, 937, 938, 940, 941, 942, 343, 344, 345, 347,
348, 349,
&end
#
# 0 AMB 20-2:3953 0 AMB 20-1:3953 6.00 (# 3953:20 Double Ambig)
&rst
ixpk= 3953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1040,1041,1083,1084,1083,1084,
igr2=1102,1143,
&end
#
# 66 ILE HG1- 66 ILE HB 3.50 (# 3954:20 Unique 2.21, 2.48 A)
&rst
ixpk= 3954, nxpk= 20, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1149,1150,
&end
#
# 102 GLU HB- 84 ASN HB+ 8.00 (# 3955:20 Unique 2.91, 4.96 A)
&rst
ixpk= 3955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1724,1725,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:3956 0 AMB 20-1:3956 6.00 (# 3956:20 Double Ambig)
&rst
ixpk= 3956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1432,1433,1432,1433,1830,
igr2=1867,1868,1867,1868,1867,1868,
&end
#
# 59 ASN HD2+ 62 GLU HG+ 6.00 (# 3957:20 Unique 3.97, 5.75 A)
&rst
ixpk= 3957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1031,1032,
igr2=1071,1072,
&end
#
# 62 GLU HB- 62 GLU HG+ 3.50 (# 3958:20 Unique 2.20, 2.64 A)
&rst
ixpk= 3958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1068,1069,
igr2=1071,1072,
&end
#
# 22 LEU HN 0 AMB 20-1:3960 8.00 (# 3960:20 Single Ambig)
&rst
ixpk= 3960, nxpk= 20, iat= 377, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 20-2:3961 0 AMB 20-1:3961 6.00 (# 3961:20 Double Ambig)
&rst
ixpk= 3961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 240,1270, 355,
igr2= 317, 318, 317, 318,1349,1350,
&end
#
# 15 GLN HA 0 AMB 20-1:3962 6.00 (# 3962:20 Single Ambig)
&rst
ixpk= 3962, nxpk= 20, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 317, 318, 317, 318, 260, 261,
&end
#
# 5 LYS HA 0 AMB 20-1:3963 6.00 (# 3963:20 Single Ambig)
&rst
ixpk= 3963, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 146, 147, 146, 147,
&end
#
# 0 AMB 20-2:3964 0 AMB 20-1:3964 6.00 (# 3964:20 Double Ambig)
&rst
ixpk= 3964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1308,1309,1467,1468,
igr2=1349,1350,1727,1728,
&end
#
# 0 AMB 20-2:3966 0 AMB 20-1:3966 4.50 (# 3966:20 Double Ambig)
&rst
ixpk= 3966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 257, 258, 357, 358,
igr2= 260, 261, 317, 318, 317, 318,
&end
#
# 73 LEU HB+ 77 GLN HG- 6.00 (# 3968:20 Unique 1.93, 3.84 A)
&rst
ixpk= 3968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1289,1290,
igr2=1349,1350,
&end
#
# 22 LEU MDX 0 AMB 20-1:3969 3.50 (# 3969:20 Single Ambig)
&rst
ixpk= 3969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 386, 387, 388, 390, 391, 392,
igr2= 317, 318, 317, 318,
&end
#
# 5 LYS HG- 0 AMB 20-1:3970 2.80 (# 3970:20 Single Ambig)
&rst
ixpk= 3970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 68, 69,
igr2= 65, 66, 65, 66,
&end
#
# 0 AMB 20-2:3972 0 AMB 20-1:3972 6.00 (# 3972:20 Double Ambig)
&rst
ixpk= 3972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1205,1206,1229,1230,1229,1230,1229,1230,
igr2=1275,1276,1275,1276,1275,1276,1275,1276,
&end
#
# 102 GLU HB- 102 GLU HG- 3.50 (# 3973:20 Unique 2.30, 2.58 A)
&rst
ixpk= 3973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1724,1725,
igr2=1727,1728,
&end
#
# 83 VAL MGY 102 GLU HG- 2.80 (# 3975:20 Unique 2.07, 5.16 A)
&rst
ixpk= 3975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1453,1454,1455,1457,1458,1459,
igr2=1727,1728,
&end
#
# 25 GLU HN 26 GLN HG+ 6.00 (# 3978:20 Unique 3.41, 4.69 A)
&rst
ixpk= 3978, nxpk= 20, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 461, 462,
&end
#
# 26 GLN HE2- 26 GLN HG+ 6.00 (# 3979:20 Unique 2.16, 3.22 A)
&rst
ixpk= 3979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 466, 467,
igr2= 461, 462,
&end
#
# 27 HIS HD2 26 GLN HG+ 8.00 (# 3980:20 Unique 1.91, 3.81 A)
&rst
ixpk= 3980, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 461, 462,
&end
#
# 0 AMB 20-2:3982 0 AMB 20-1:3982 3.50 (# 3982:20 Double Ambig)
&rst
ixpk= 3982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 804,1635,1636,1635,1636,
igr2= 806,1605,1606,
&end
#
# 102 GLU HN 102 GLU HB- 4.50 (# 3985:20 Unique 2.36, 3.15 A)
&rst
ixpk= 3985, nxpk= 20, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1724,1725,
&end
#
# 84 ASN HD2- 102 GLU HB- 6.00 (# 3988:20 Unique 2.21, 5.63 A)
&rst
ixpk= 3988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1472,1473,
igr2=1724,1725,
&end
#
# 102 GLU HA 102 GLU HB- 6.00 (# 3989:20 Unique 2.36, 2.74 A)
&rst
ixpk= 3989, nxpk= 20, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1724,1725,
&end
#
# 0 AMB 20-2:3990 102 GLU HB- 6.00 (# 3990:20 Single Ambig)
&rst
ixpk= 3990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1713,1714,1713,1714,
igr2=1724,1725,
&end
#
# 84 ASN HB- 102 GLU HB- 6.00 (# 3991:20 Unique 2.91, 4.96 A)
&rst
ixpk= 3991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1467,1468,
igr2=1724,1725,
&end
#
# 102 GLU HG+ 102 GLU HB- 3.50 (# 3992:20 Unique 2.30, 2.58 A)
&rst
ixpk= 3992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1727,1728,
igr2=1724,1725,
&end
#
# 30 LYS HA 57 HIS HB+ 8.00 (# 4002:20 Unique 6.02, 6.71 A)
&rst
ixpk= 4002, nxpk= 20, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 992, 993,
&end
#
# 30 LYS HA 57 HIS HB- 8.00 (# 4003:20 Unique 6.02, 6.71 A)
&rst
ixpk= 4003, nxpk= 20, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 992, 993,
&end
#
# 57 HIS HA 57 HIS HB- 4.50 (# 4004:20 Unique 2.38, 2.77 A)
&rst
ixpk= 4004, nxpk= 20, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 992, 993,
&end
#
# 29 THR HA 57 HIS HB- 8.00 (# 4005:20 Unique 6.12, 7.06 A)
&rst
ixpk= 4005, nxpk= 20, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 992, 993,
&end
#
# 29 THR HA 57 HIS HB+ 8.00 (# 4006:20 Unique 6.12, 7.06 A)
&rst
ixpk= 4006, nxpk= 20, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 992, 993,
&end
#
# 99 TYR HN 109 LEU MDX 6.00 (# 4016:20 Unique 2.48, 4.81 A)
&rst
ixpk= 4016, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 109 LEU HN 109 LEU MDX 8.00 (# 4017:20 Unique 3.84, 5.17 A)
&rst
ixpk= 4017, nxpk= 20, iat=1823, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 109 LEU HA 109 LEU MDX 6.00 (# 4019:20 Unique 1.66, 3.53 A)
&rst
ixpk= 4019, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 99 TYR HB+ 109 LEU MDX 6.00 (# 4021:20 Unique 1.99, 4.71 A)
&rst
ixpk= 4021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1677,1678,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 99 TYR HB- 109 LEU MDX 6.00 (# 4022:20 Unique 1.99, 4.71 A)
&rst
ixpk= 4022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1677,1678,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 20-2:4023 109 LEU MDX 6.00 (# 4023:20 Single Ambig)
&rst
ixpk= 4023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1870,1871,1870,1871,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 20-2:4024 109 LEU MDX 4.50 (# 4024:20 Single Ambig)
&rst
ixpk= 4024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1724,1725,1827,1828,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 98 VAL HB 109 LEU MDX 6.00 (# 4025:20 Unique 2.24, 4.57 A)
&rst
ixpk= 4025, nxpk= 20, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 20-2:4026 109 LEU MDX 4.50 (# 4026:20 Single Ambig)
&rst
ixpk= 4026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1867,1868,1867,1868,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 111 MET ME 109 LEU MDX 2.80 (# 4027:20 Unique 2.01, 5.44 A)
&rst
ixpk= 4027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1874,1875,1876,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 102 GLU HB- 109 LEU MDX 6.00 (# 4028:20 Unique 1.61, 4.03 A)
&rst
ixpk= 4028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1724,1725,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 20-2:4029 109 LEU MDX 2.80 (# 4029:20 Single Ambig)
&rst
ixpk= 4029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1827,1828,1830,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 95 ILE HG1- 109 LEU MDX 3.50 (# 4030:20 Unique 2.00, 5.22 A)
&rst
ixpk= 4030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1622,1623,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 95 ILE HG1+ 109 LEU MDX 3.50 (# 4031:20 Unique 2.00, 5.22 A)
&rst
ixpk= 4031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1622,1623,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 31 ILE QG2 109 LEU MDX 4.50 (# 4033:20 Unique 2.09, 5.51 A)
&rst
ixpk= 4033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 545, 546, 547,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 60 MET HA 63 LEU MDX 6.00 (# 4034:20 Unique 1.93, 3.66 A)
&rst
ixpk= 4034, nxpk= 20, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 64 ILE HN 63 LEU MDX 6.00 (# 4035:20 Unique 2.07, 4.24 A)
&rst
ixpk= 4035, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 64 ILE HA 63 LEU MDX 8.00 (# 4036:20 Unique 2.38, 5.26 A)
&rst
ixpk= 4036, nxpk= 20, iat=1100, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 20-2:4037 63 LEU MDX 8.00 (# 4037:20 Single Ambig)
&rst
ixpk= 4037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1071,1072,1870,1871,1870,1871,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 20-2:4038 63 LEU MDX 6.00 (# 4038:20 Single Ambig)
&rst
ixpk= 4038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1040,1041,1071,1072,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 111 MET ME 63 LEU MDX 3.50 (# 4039:20 Unique 1.99, 4.87 A)
&rst
ixpk= 4039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1874,1875,1876,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 20-2:4040 63 LEU MDX 6.00 (# 4040:20 Single Ambig)
&rst
ixpk= 4040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1413,1414,2179,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 63 LEU HG 63 LEU MDX 2.80 (# 4041:20 Unique 2.44, 2.64 A)
&rst
ixpk= 4041, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 20-2:4042 63 LEU MDX 3.50 (# 4042:20 Single Ambig)
&rst
ixpk= 4042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1168,1169,1083,1084,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 73 LEU HN 73 LEU MDX 6.00 (# 4047:20 Unique 1.62, 4.32 A)
&rst
ixpk= 4047, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 79 PHE HE 73 LEU MDX 6.00 (# 4048:20 Unique 3.28, 6.60 A)
&rst
ixpk= 4048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1379,1383,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 73 LEU HA 73 LEU MDX 6.00 (# 4050:20 Unique 2.19, 4.07 A)
&rst
ixpk= 4050, nxpk= 20, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 79 PHE HB- 73 LEU MDX 8.00 (# 4051:20 Unique 1.58, 4.22 A)
&rst
ixpk= 4051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1373,1374,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 77 GLN HG+ 73 LEU MDX 6.00 (# 4052:20 Unique 1.56, 4.36 A)
&rst
ixpk= 4052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1349,1350,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 20-2:4053 73 LEU MDX 8.00 (# 4053:20 Single Ambig)
&rst
ixpk= 4053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1= 792, 793,1346,1347,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 20-2:4054 73 LEU MDX 6.00 (# 4054:20 Single Ambig)
&rst
ixpk= 4054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1346,1347, 822, 823, 795, 796,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 73 LEU HB- 73 LEU MDX 2.80 (# 4055:20 Unique 2.33, 3.25 A)
&rst
ixpk= 4055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1289,1290,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 71 LEU MDX 73 LEU MDX 4.50 (# 4058:20 Unique 1.72, 7.10 A)
&rst
ixpk= 4058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1258,1259,1260,1262,1263,1264,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 86 HIS HA 0 AMB 20-1:4061 6.00 (# 4061:20 Single Ambig)
&rst
ixpk= 4061, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 82 LEU HA 82 LEU MDY 4.50 (# 4062:20 Unique 1.95, 4.19 A)
&rst
ixpk= 4062, nxpk= 20, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1437,1438,1439,1441,1442,1443,
&end
#
# 0 AMB 20-2:4064 82 LEU MDY 6.00 (# 4064:20 Single Ambig)
&rst
ixpk= 4064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1506,1507,1506,1507,
igr2=1437,1438,1439,1441,1442,1443,
&end
#
# 117 GLU HA 82 LEU MDY 6.00 (# 4065:20 Unique 1.74, 3.82 A)
&rst
ixpk= 4065, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1437,1438,1439,1441,1442,1443,
&end
#
# 30 LYS HN 29 THR MG2 6.00 (# 4066:20 Unique 4.87, 5.37 A)
&rst
ixpk= 4066, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 509, 510, 511,
&end
#
# 27 HIS HA 29 THR MG2 6.00 (# 4068:20 Unique 4.50, 5.92 A)
&rst
ixpk= 4068, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 509, 510, 511,
&end
#
# 28 PRO HD+ 29 THR MG2 6.00 (# 4069:20 Unique 3.38, 5.64 A)
&rst
ixpk= 4069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 490, 491,
igr2= 509, 510, 511,
&end
#
# 37 ARG HD- 46 VAL MGX 6.00 (# 4073:20 Unique 1.82, 6.38 A)
&rst
ixpk= 4073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 651, 652,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 32 PRO HG+ 23 ILE QG2 8.00 (# 4080:20 Unique 4.23, 5.98 A)
&rst
ixpk= 4080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 562, 563,
igr2= 402, 403, 404,
&end
#
# 32 PRO HB+ 23 ILE QG2 6.00 (# 4081:20 Unique 3.43, 5.47 A)
&rst
ixpk= 4081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 565, 566,
igr2= 402, 403, 404,
&end
#
# 0 AMB 20-2:4082 23 ILE QG2 2.80 (# 4082:20 Single Ambig)
&rst
ixpk= 4082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 400, 565, 566,
igr2= 402, 403, 404,
&end
#
# 111 MET HA 111 MET ME 6.00 (# 4084:20 Unique 4.89, 5.57 A)
&rst
ixpk= 4084, nxpk= 20, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1874,1875,1876,
&end
#
# 35 ILE HA 111 MET ME 8.00 (# 4085:20 Unique 6.14, 7.15 A)
&rst
ixpk= 4085, nxpk= 20, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1874,1875,1876,
&end
#
# 0 AMB 20-2:4087 111 MET ME 6.00 (# 4087:20 Single Ambig)
&rst
ixpk= 4087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1520,1521,1520,1521,
igr2=1874,1875,1876,
&end
#
# 0 AMB 20-2:4088 111 MET ME 2.80 (# 4088:20 Single Ambig)
&rst
ixpk= 4088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1870,1871,1870,1871,
igr2=1874,1875,1876,
&end
#
# 88 MET HA 60 MET ME 6.00 (# 4092:20 Unique 4.76, 6.73 A)
&rst
ixpk= 4092, nxpk= 20, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1047,1048,1049,
&end
#
# 0 AMB 20-2:4094 60 MET ME 3.50 (# 4094:20 Single Ambig)
&rst
ixpk= 4094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1043,1044,1043,1044,
igr2=1047,1048,1049,
&end
#
# 0 AMB 20-2:4095 60 MET ME 3.50 (# 4095:20 Single Ambig)
&rst
ixpk= 4095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1520,1521,1520,1521,
igr2=1047,1048,1049,
&end
#
# 63 LEU HG 60 MET ME 4.50 (# 4097:20 Unique 3.03, 4.75 A)
&rst
ixpk= 4097, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1047,1048,1049,
&end
#
# 63 LEU MDY 60 MET ME 3.50 (# 4098:20 Unique 1.86, 4.48 A)
&rst
ixpk= 4098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1088,1089,1090,1092,1093,1094,
igr2=1047,1048,1049,
&end
#
# 31 ILE HN 30 LYS HB+ 8.00 (# 4100:20 Unique 2.18, 3.40 A)
&rst
ixpk= 4100, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 521, 522,
&end
#
# 30 LYS HN 30 LYS HB+ 6.00 (# 4101:20 Unique 2.45, 3.06 A)
&rst
ixpk= 4101, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 521, 522,
&end
#
# 30 LYS HA 30 LYS HB- 6.00 (# 4102:20 Unique 2.24, 2.80 A)
&rst
ixpk= 4102, nxpk= 20, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 521, 522,
&end
#
# 31 ILE HN 31 ILE QD1 6.00 (# 4106:20 Unique 3.89, 5.09 A)
&rst
ixpk= 4106, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 552, 553, 554,
&end
#
# 99 TYR HN 31 ILE QD1 6.00 (# 4107:20 Unique 4.02, 5.65 A)
&rst
ixpk= 4107, nxpk= 20, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 552, 553, 554,
&end
#
# 96 SER HN 31 ILE QD1 8.00 (# 4109:20 Unique 3.72, 5.67 A)
&rst
ixpk= 4109, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:4110 31 ILE QD1 8.00 (# 4110:20 Single Ambig)
&rst
ixpk= 4110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 988, 517,
igr2= 552, 553, 554,
&end
#
# 0 AMB 20-2:4111 31 ILE QD1 6.00 (# 4111:20 Single Ambig)
&rst
ixpk= 4111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1830,1827,1828, 524, 525,
igr2= 552, 553, 554,
&end
#
# 42 LYS HB+ 42 LYS HA 8.00 (# 4112:20 Unique 2.51, 2.79 A)
&rst
ixpk= 4112, nxpk= 20, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 734, 735,
&end
#
# 0 AMB 20-2:4113 42 LYS HA 8.00 (# 4113:20 Single Ambig)
&rst
ixpk= 4113, nxpk= 20, iat= -1, 732, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 740, 741, 734, 735,
&end
#
# 42 LYS HG- 42 LYS HA 8.00 (# 4114:20 Unique 2.03, 3.00 A)
&rst
ixpk= 4114, nxpk= 20, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 737, 738,
&end
#
# 98 VAL HN 98 VAL MGY 2.80 (# 4115:20 Unique 1.86, 3.73 A)
&rst
ixpk= 4115, nxpk= 20, iat=1657, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 97 GLU HN 98 VAL MGY 4.50 (# 4116:20 Unique 4.09, 6.33 A)
&rst
ixpk= 4116, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 83 VAL HA 98 VAL MGY 6.00 (# 4119:20 Unique 4.74, 6.49 A)
&rst
ixpk= 4119, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 0 AMB 20-2:4120 98 VAL MGY 3.50 (# 4120:20 Single Ambig)
&rst
ixpk= 4120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1724,1725,1649,1650,1827,1828,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 0 AMB 20-2:4121 98 VAL MGY 6.00 (# 4121:20 Single Ambig)
&rst
ixpk= 4121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1870,1871,1870,1871,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 0 AMB 20-2:4122 98 VAL MGY 4.50 (# 4122:20 Single Ambig)
&rst
ixpk= 4122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1451,1047,1048,1049,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 93 THR MG2 98 VAL MGY 2.80 (# 4125:20 Unique 2.90, 5.74 A)
&rst
ixpk= 4125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1590,1591,1592,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 0 AMB 20-2:4127 98 VAL MGY 2.80 (# 4127:20 Single Ambig)
&rst
ixpk= 4127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,1832,1833,1834,1836,1837,1838,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 74 ASN HN 68 ARG HD+ 6.00 (# 4130:20 Unique 3.53, 6.31 A)
&rst
ixpk= 4130, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1187,1188,
&end
#
# 107 GLY HN 107 GLY HA- 3.50 (# 4131:20 Unique 2.30, 2.65 A)
&rst
ixpk= 4131, nxpk= 20, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1798,1799,
&end
#
# 20 VAL MGX 107 GLY HA- 6.00 (# 4137:20 Unique 2.51, 5.86 A)
&rst
ixpk= 4137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 343, 344, 345, 347, 348, 349,
igr2=1798,1799,
&end
#
# 109 LEU HN 108 PHE HA 8.00 (# 4141:20 Unique 2.19, 2.76 A)
&rst
ixpk= 4141, nxpk= 20, iat=1823,1805, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 29 THR MG2 29 THR HA 6.00 (# 4142:20 Unique 2.35, 3.01 A)
&rst
ixpk= 4142, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 509, 510, 511,
&end
#
# 10 ARG HN 10 ARG HG+ 8.00 (# 4145:20 Unique 1.74, 2.51 A)
&rst
ixpk= 4145, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 163, 164,
&end
#
# 0 AMB 20-2:4152 0 AMB 20-1:4152 6.00 (# 4152:20 Double Ambig)
&rst
ixpk= 4152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 377, 353,
igr2= 363, 364, 363, 364,
&end
#
# 21 ARG HE 21 ARG HD+ 6.00 (# 4153:20 Unique 2.29, 2.73 A)
&rst
ixpk= 4153, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 21 ARG HA 21 ARG HD+ 6.00 (# 4155:20 Unique 2.38, 3.72 A)
&rst
ixpk= 4155, nxpk= 20, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 363, 364,
&end
#
# 21 ARG HB+ 21 ARG HD+ 6.00 (# 4159:20 Unique 2.01, 3.13 A)
&rst
ixpk= 4159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 357, 358,
igr2= 363, 364,
&end
#
# 21 ARG HG+ 21 ARG HD+ 3.50 (# 4160:20 Unique 2.22, 2.67 A)
&rst
ixpk= 4160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 360, 361,
igr2= 363, 364,
&end
#
# 17 VAL MGX 21 ARG HD+ 6.00 (# 4161:20 Unique 3.91, 7.30 A)
&rst
ixpk= 4161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 300, 301, 302, 304, 305, 306,
igr2= 363, 364,
&end
#
# 30 LYS HA 30 LYS HB+ 6.00 (# 4162:20 Unique 2.24, 2.80 A)
&rst
ixpk= 4162, nxpk= 20, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 521, 522,
&end
#
# 55 PRO HA 30 LYS HB+ 8.00 (# 4163:20 Unique 2.24, 4.16 A)
&rst
ixpk= 4163, nxpk= 20, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 521, 522,
&end
#
# 0 AMB 20-2:4164 0 AMB 20-1:4164 6.00 (# 4164:20 Double Ambig)
&rst
ixpk= 4164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 530, 531, 530, 531, 475, 476,
igr2= 521, 522, 521, 522, 521, 522,
&end
#
# 0 AMB 20-2:4165 0 AMB 20-1:4165 8.00 (# 4165:20 Double Ambig)
&rst
ixpk= 4165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1393,1394, 980, 981,
igr2=1962,1963, 521, 522,
&end
#
# 0 AMB 20-2:4166 0 AMB 20-1:4166 6.00 (# 4166:20 Double Ambig)
&rst
ixpk= 4166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1942,1943, 419, 420,
igr2=1962,1963, 521, 522,
&end
#
# 53 LEU MDY 30 LYS HB+ 6.00 (# 4167:20 Unique 1.91, 5.47 A)
&rst
ixpk= 4167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 521, 522,
&end
#
# 23 ILE HB 23 ILE HG1- 6.00 (# 4181:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4181, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 406, 407,
&end
#
# 23 ILE QD1 23 ILE HG1- 6.00 (# 4182:20 Unique 2.44, 2.64 A)
&rst
ixpk= 4182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 409, 410, 411,
igr2= 406, 407,
&end
#
# 65 LYS HN 64 ILE QD1 8.00 (# 4187:20 Unique 4.45, 5.57 A)
&rst
ixpk= 4187, nxpk= 20, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1111,1112,1113,
&end
#
# 90 SER HA 64 ILE QD1 8.00 (# 4189:20 Unique 5.13, 6.70 A)
&rst
ixpk= 4189, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1111,1112,1113,
&end
#
# 81 LEU MDX 64 ILE QD1 3.50 (# 4191:20 Unique 3.05, 6.16 A)
&rst
ixpk= 4191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1418,1419,1420,1422,1423,1424,
igr2=1111,1112,1113,
&end
#
# 0 AMB 20-2:4192 109 LEU MDX 6.00 (# 4192:20 Single Ambig)
&rst
ixpk= 4192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1867,1868,1867,1868,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 113 TYR HA 81 LEU MDY 6.00 (# 4194:20 Unique 2.29, 5.06 A)
&rst
ixpk= 4194, nxpk= 20, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 0 AMB 20-2:4195 0 AMB 20-1:4195 4.50 (# 4195:20 Double Ambig)
&rst
ixpk= 4195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=1900,1901, 795, 796, 795, 796,
igr2=1418,1419,1420,1422,1423,1424, 827, 828, 829, 831,
832, 833, 827, 828, 829, 831, 832, 833,
&end
#
# 109 LEU HA 109 LEU MDY 4.50 (# 4199:20 Unique 1.66, 3.53 A)
&rst
ixpk= 4199, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 103 LYS HA 109 LEU MDY 6.00 (# 4200:20 Unique 2.75, 5.63 A)
&rst
ixpk= 4200, nxpk= 20, iat=1737, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 99 TYR HA 109 LEU MDY 4.50 (# 4201:20 Unique 1.60, 3.34 A)
&rst
ixpk= 4201, nxpk= 20, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 20-2:4205 109 LEU MDY 2.80 (# 4205:20 Single Ambig)
&rst
ixpk= 4205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1724,1725,1827,1828,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 3 SER HN 1 MET HB- 6.00 (# 4206:20 Unique 2.74, 4.74 A)
&rst
ixpk= 4206, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 8, 9,
&end
#
# 3 SER HN 1 MET HG+ 8.00 (# 4209:20 Unique 2.16, 4.99 A)
&rst
ixpk= 4209, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG- 6.00 (# 4210:20 Unique 2.15, 3.17 A)
&rst
ixpk= 4210, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:4213 0 AMB 20-1:4213 2.80 (# 4213:20 Double Ambig)
&rst
ixpk= 4213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1047,1048,1049, 8, 9, 50, 51,
igr2=1520,1521,1520,1521, 11, 12, 11, 12,
&end
#
# 0 AMB 20-2:4215 1 MET HG- 3.50 (# 4215:20 Single Ambig)
&rst
ixpk= 4215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 8, 9, 50, 51, 28, 29,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:4216 1 MET HG- 3.50 (# 4216:20 Single Ambig)
&rst
ixpk= 4216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 8, 9, 50, 51,
igr2= 11, 12,
&end
#
# 60 MET HN 94 PRO HA 6.00 (# 4217:20 Unique 3.63, 4.25 A)
&rst
ixpk= 4217, nxpk= 20, iat=1036,1608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 2 PRO HB+ 2 PRO HA 4.50 (# 4219:20 Unique 2.31, 2.52 A)
&rst
ixpk= 4219, nxpk= 20, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 28, 29,
&end
#
# 0 AMB 20-2:4220 2 PRO HA 6.00 (# 4220:20 Single Ambig)
&rst
ixpk= 4220, nxpk= 20, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 8, 9, 25, 26,2054,2055, 822, 823,
&end
#
# 0 AMB 20-2:4221 0 AMB 20-1:4221 4.50 (# 4221:20 Double Ambig)
&rst
ixpk= 4221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 31,2028,
igr2= 28, 29, 28, 29,
&end
#
# 2 PRO HD- 2 PRO HB+ 8.00 (# 4222:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 22, 23,
igr2= 28, 29,
&end
#
# 61 SER HA 0 AMB 20-1:4223 6.00 (# 4223:20 Single Ambig)
&rst
ixpk= 4223, nxpk= 20, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1121,1122,1121,1122,
&end
#
# 0 AMB 20-2:4225 0 AMB 20-1:4225 4.50 (# 4225:20 Double Ambig)
&rst
ixpk= 4225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2054,2055,1040,1041, 8, 9,
igr2= 28, 29,1561, 28, 29,
&end
#
# 44 LEU HN 44 LEU HG 6.00 (# 4227:20 Unique 1.79, 2.05 A)
&rst
ixpk= 4227, nxpk= 20, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 LEU HA 47 LEU HG 6.00 (# 4229:20 Unique 2.14, 3.34 A)
&rst
ixpk= 4229, nxpk= 20, iat= 820, 825, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 2 PRO HA 2 PRO HG- 6.00 (# 4230:20 Unique 3.85, 3.93 A)
&rst
ixpk= 4230, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 25, 26,
&end
#
# 2 PRO HB+ 2 PRO HG- 4.50 (# 4231:20 Unique 2.31, 2.56 A)
&rst
ixpk= 4231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 28, 29,
igr2= 25, 26,
&end
#
# 0 AMB 20-2:4232 0 AMB 20-1:4232 3.50 (# 4232:20 Double Ambig)
&rst
ixpk= 4232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 28, 29, 756, 757,
igr2= 25, 26, 776,
&end
#
# 3 SER HN 2 PRO HD- 8.00 (# 4234:20 Unique 2.64, 4.59 A)
&rst
ixpk= 4234, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 22, 23,
&end
#
# 2 PRO HA 2 PRO HD+ 8.00 (# 4235:20 Unique 3.58, 3.83 A)
&rst
ixpk= 4235, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 22, 23,
&end
#
# 3 SER HN 3 SER HA 8.00 (# 4238:20 Unique 2.80, 2.88 A)
&rst
ixpk= 4238, nxpk= 20, iat= 35, 37, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 3 SER HB+ 3 SER HA 6.00 (# 4239:20 Unique 2.23, 2.68 A)
&rst
ixpk= 4239, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 39, 40,
&end
#
# 3 SER HN 3 SER HB- 6.00 (# 4240:20 Unique 2.45, 3.34 A)
&rst
ixpk= 4240, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 39, 40,
&end
#
# 0 AMB 20-2:4241 0 AMB 20-1:4241 6.00 (# 4241:20 Double Ambig)
&rst
ixpk= 4241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1354,1355, 61,
igr2=1931,1932, 39, 40,
&end
#
# 0 AMB 20-2:4243 0 AMB 20-1:4243 2.80 (# 4243:20 Double Ambig)
&rst
ixpk= 4243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1504, 37,
igr2=1506,1507,1506,1507, 39, 40,
&end
#
# 4 GLU HN 4 GLU HA 4.50 (# 4244:20 Unique 2.81, 2.87 A)
&rst
ixpk= 4244, nxpk= 20, iat= 46, 48, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4245 41 GLU HA 6.00 (# 4245:20 Single Ambig)
&rst
ixpk= 4245, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 669, 670, 743, 744, 743, 744,
&end
#
# 0 AMB 20-2:4246 0 AMB 20-1:4246 6.00 (# 4246:20 Double Ambig)
&rst
ixpk= 4246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 734, 735, 65, 66, 65, 66, 740, 741,
igr2= 717, 48,
&end
#
# 0 AMB 20-2:4247 0 AMB 20-1:4247 6.00 (# 4247:20 Double Ambig)
&rst
ixpk= 4247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 71, 72, 737, 738, 68, 69,
igr2= 48, 717,
&end
#
# 60 MET HN 60 MET HB- 4.50 (# 4248:20 Unique 2.07, 2.98 A)
&rst
ixpk= 4248, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 60 MET HA 60 MET HB- 4.50 (# 4249:20 Unique 2.38, 2.75 A)
&rst
ixpk= 4249, nxpk= 20, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 0 AMB 20-2:4250 60 MET HB- 3.50 (# 4250:20 Single Ambig)
&rst
ixpk= 4250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1043,1044,1043,1044,
igr2=1040,1041,
&end
#
# 0 AMB 20-2:4251 4 GLU HB- 2.80 (# 4251:20 Single Ambig)
&rst
ixpk= 4251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 53, 54, 143, 144,
igr2= 50, 51,
&end
#
# 0 AMB 20-2:4252 60 MET HB- 3.50 (# 4252:20 Single Ambig)
&rst
ixpk= 4252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,
igr2=1040,1041,
&end
#
# 0 AMB 20-2:4253 0 AMB 20-1:4253 3.50 (# 4253:20 Double Ambig)
&rst
ixpk= 4253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1066,1713,1714,1713,1714,
igr2=1071,1072,1649,1650,
&end
#
# 0 AMB 20-2:4255 0 AMB 20-1:4255 2.80 (# 4255:20 Double Ambig)
&rst
ixpk= 4255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 50, 51,1143,
igr2= 53, 54,1071,1072,
&end
#
# 0 AMB 20-2:4256 62 GLU HG- 4.50 (# 4256:20 Single Ambig)
&rst
ixpk= 4256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187,
igr2=1071,1072,
&end
#
# 5 LYS HN 0 AMB 20-1:4258 4.50 (# 4258:20 Single Ambig)
&rst
ixpk= 4258, nxpk= 20, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 65, 66, 65, 66,
&end
#
# 42 LYS HN 42 LYS HB- 6.00 (# 4259:20 Unique 2.25, 2.99 A)
&rst
ixpk= 4259, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 734, 735,
&end
#
# 42 LYS HA 42 LYS HB- 4.50 (# 4260:20 Unique 2.51, 2.79 A)
&rst
ixpk= 4260, nxpk= 20, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 734, 735,
&end
#
# 0 AMB 20-2:4261 0 AMB 20-1:4261 8.00 (# 4261:20 Double Ambig)
&rst
ixpk= 4261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.00, r4=16.50,
igr1= 651, 652, 166, 167, 166, 167, 166, 167,
igr2= 734, 735, 65, 66, 65, 66, 65, 66,
&end
#
# 65 LYS HA 65 LYS HG- 6.00 (# 4263:20 Unique 2.07, 2.75 A)
&rst
ixpk= 4263, nxpk= 20, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1124,1125,
&end
#
# 65 LYS HG- 0 AMB 20-1:4267 3.50 (# 4267:20 Single Ambig)
&rst
ixpk= 4267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1124,1125,
igr2=1127,1128,1127,1128,
&end
#
# 0 AMB 20-2:4269 0 AMB 20-1:4269 6.00 (# 4269:20 Double Ambig)
&rst
ixpk= 4269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1068,1069,1068,1069,
igr2=1127,1128,1127,1128,
&end
#
# 5 LYS HG- 5 LYS HD+ 3.50 (# 4270:20 Unique 2.23, 2.70 A)
&rst
ixpk= 4270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 68, 69,
igr2= 71, 72,
&end
#
# 0 AMB 20-2:4271 0 AMB 20-1:4271 6.00 (# 4271:20 Double Ambig)
&rst
ixpk= 4271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 402, 403, 404,1104,1105,1106,
igr2= 527, 528, 527, 528,1127,1128,1127,1128,
&end
#
# 0 AMB 20-2:4272 0 AMB 20-1:4272 2.80 (# 4272:20 Double Ambig)
&rst
ixpk= 4272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1121,1122,1121,1122,2240,2241,2240,2241,
igr2=1127,1128,1127,1128, 527, 528, 527, 528,
&end
#
# 54 VAL HA 0 AMB 20-1:4274 4.50 (# 4274:20 Single Ambig)
&rst
ixpk= 4274, nxpk= 20, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 530, 531, 530, 531,
&end
#
# 0 AMB 20-2:4275 0 AMB 20-1:4275 4.50 (# 4275:20 Double Ambig)
&rst
ixpk= 4275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1121,1122,1121,1122,1121,1122,2145,2146,
igr2=1130,1131,1130,1131,1130,1131, 530, 531, 530, 531,
&end
#
# 0 AMB 20-2:4276 0 AMB 20-1:4276 2.80 (# 4276:20 Double Ambig)
&rst
ixpk= 4276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 969, 970, 527, 528, 527, 528, 527, 528,1127,1128,
1127,1128,1127,1128, 690, 691,
igr2= 530, 531, 530, 531, 530, 531, 530, 531,1130,1131,
1130,1131,1130,1131, 699, 700,
&end
#
# 0 AMB 20-2:4277 0 AMB 20-1:4277 2.80 (# 4277:20 Double Ambig)
&rst
ixpk= 4277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 71, 72, 71, 72, 696, 697, 696, 697, 696, 697,
521, 522, 521, 522,
igr2= 74, 75, 74, 75, 699, 700, 699, 700, 699, 700,
530, 531, 530, 531,
&end
#
# 0 AMB 20-2:4278 0 AMB 20-1:4278 2.80 (# 4278:20 Double Ambig)
&rst
ixpk= 4278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 68, 69,1124,1125,
igr2= 74, 75, 74, 75,1130,1131,1130,1131,
&end
#
# 0 AMB 20-2:4279 0 AMB 20-1:4279 2.80 (# 4279:20 Double Ambig)
&rst
ixpk= 4279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 693, 694, 693, 694,
igr2= 699, 700, 699, 700,
&end
#
# 5 LYS HN 6 THR MG2 8.00 (# 4280:20 Unique 6.46, 7.51 A)
&rst
ixpk= 4280, nxpk= 20, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 89, 90, 91,
&end
#
# 7 PHE HA 6 THR MG2 8.00 (# 4282:20 Unique 4.46, 5.70 A)
&rst
ixpk= 4282, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 89, 90, 91,
&end
#
# 7 PHE HN 7 PHE HA 6.00 (# 4283:20 Unique 2.80, 2.86 A)
&rst
ixpk= 4283, nxpk= 20, iat= 97, 99, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ARG HN 7 PHE HA 8.00 (# 4285:20 Unique 3.07, 3.70 A)
&rst
ixpk= 4285, nxpk= 20, iat= 156, 99, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 7 PHE HD 7 PHE HA 6.00 (# 4286:20 Unique 2.20, 3.99 A)
&rst
ixpk= 4286, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 105, 113,
&end
#
# 21 ARG HD+ 21 ARG HA 6.00 (# 4289:20 Unique 2.38, 3.72 A)
&rst
ixpk= 4289, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 363, 364,
&end
#
# 8 LYS HA 0 AMB 20-1:4290 6.00 (# 4290:20 Single Ambig)
&rst
ixpk= 4290, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 121, 122, 121, 122,
&end
#
# 8 LYS HE- 8 LYS HG+ 6.00 (# 4291:20 Unique 2.03, 3.12 A)
&rst
ixpk= 4291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 130, 131,
igr2= 124, 125,
&end
#
# 0 AMB 20-2:4296 0 AMB 20-1:4296 3.50 (# 4296:20 Double Ambig)
&rst
ixpk= 4296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 48,1644,
igr2= 53, 54,1649,1650,
&end
#
# 14 GLU HN 12 THR MG2 6.00 (# 4299:20 Unique 4.94, 5.42 A)
&rst
ixpk= 4299, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 210, 211, 212,
&end
#
# 15 GLN HN 12 THR MG2 8.00 (# 4300:20 Unique 5.23, 6.08 A)
&rst
ixpk= 4300, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 210, 211, 212,
&end
#
# 13 PHE HB+ 13 PHE HA 6.00 (# 4302:20 Unique 2.34, 2.78 A)
&rst
ixpk= 4302, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 222, 223,
&end
#
# 14 GLU HN 13 PHE HB- 6.00 (# 4303:20 Unique 1.99, 3.04 A)
&rst
ixpk= 4303, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 222, 223,
&end
#
# 17 VAL HB 14 GLU HA 2.80 (# 4307:20 Unique 2.74, 3.26 A)
&rst
ixpk= 4307, nxpk= 20, iat= 298, 240, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 GLU HG+ 14 GLU HB+ 2.80 (# 4308:20 Unique 2.20, 2.66 A)
&rst
ixpk= 4308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 245, 246,
igr2= 242, 243,
&end
#
# 14 GLU HG- 14 GLU HB+ 2.80 (# 4309:20 Unique 2.20, 2.66 A)
&rst
ixpk= 4309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 245, 246,
igr2= 242, 243,
&end
#
# 14 GLU HG- 14 GLU HB- 2.80 (# 4310:20 Unique 2.20, 2.66 A)
&rst
ixpk= 4310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 245, 246,
igr2= 242, 243,
&end
#
# 21 ARG HB- 18 GLU HA 6.00 (# 4312:20 Unique 2.06, 2.84 A)
&rst
ixpk= 4312, nxpk= 20, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 357, 358,
&end
#
# 0 AMB 20-2:4313 18 GLU HA 6.00 (# 4313:20 Single Ambig)
&rst
ixpk= 4313, nxpk= 20, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 298, 384,
&end
#
# 19 ASP HN 0 AMB 20-1:4314 6.00 (# 4314:20 Single Ambig)
&rst
ixpk= 4314, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 20-2:4316 17 VAL HA 8.00 (# 4316:20 Single Ambig)
&rst
ixpk= 4316, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 314, 315, 314, 315,
&end
#
# 21 ARG HD+ 17 VAL MGX 6.00 (# 4317:20 Unique 3.91, 7.30 A)
&rst
ixpk= 4317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 363, 364,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 16 ARG HN 17 VAL MGY 6.00 (# 4319:20 Unique 4.44, 6.59 A)
&rst
ixpk= 4319, nxpk= 20, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 0 AMB 20-2:4324 20 VAL HA 6.00 (# 4324:20 Single Ambig)
&rst
ixpk= 4324, nxpk= 20, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 396,2097,
&end
#
# 0 AMB 20-2:4326 0 AMB 20-1:4326 8.00 (# 4326:20 Double Ambig)
&rst
ixpk= 4326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1=1798,1799,1798,1799,2066,2067,2066,2067,
igr2= 341, 565, 566,
&end
#
# 108 PHE HE 20 VAL MGY 6.00 (# 4327:20 Unique 1.94, 5.57 A)
&rst
ixpk= 4327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1813,1817,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 21 ARG HG- 20 VAL MGY 6.00 (# 4328:20 Unique 4.01, 7.02 A)
&rst
ixpk= 4328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 360, 361,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 108 PHE HB- 20 VAL MGX 8.00 (# 4329:20 Unique 2.66, 5.49 A)
&rst
ixpk= 4329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1807,1808,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 69 ARG HN 69 ARG HB- 3.50 (# 4330:20 Unique 2.10, 2.67 A)
&rst
ixpk= 4330, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1205,1206,
&end
#
# 24 ARG HN 21 ARG HG+ 8.00 (# 4331:20 Unique 5.41, 6.28 A)
&rst
ixpk= 4331, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 360, 361,
&end
#
# 21 ARG HA 21 ARG HG+ 4.50 (# 4333:20 Unique 2.03, 2.76 A)
&rst
ixpk= 4333, nxpk= 20, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 360, 361,
&end
#
# 21 ARG HA 21 ARG HG- 6.00 (# 4334:20 Unique 2.03, 2.76 A)
&rst
ixpk= 4334, nxpk= 20, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 360, 361,
&end
#
# 21 ARG HB- 21 ARG HG- 3.50 (# 4335:20 Unique 2.21, 2.64 A)
&rst
ixpk= 4335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 357, 358,
igr2= 360, 361,
&end
#
# 22 LEU MDX 21 ARG HD+ 6.00 (# 4338:20 Unique 3.91, 7.27 A)
&rst
ixpk= 4338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 386, 387, 388, 390, 391, 392,
igr2= 363, 364,
&end
#
# 0 AMB 20-2:4339 22 LEU HA 8.00 (# 4339:20 Single Ambig)
&rst
ixpk= 4339, nxpk= 20, iat= -1, 379, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 446, 447, 461, 462,
&end
#
# 22 LEU HB+ 22 LEU HA 3.50 (# 4340:20 Unique 2.24, 2.43 A)
&rst
ixpk= 4340, nxpk= 20, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 381, 382,
&end
#
# 0 AMB 20-2:4341 22 LEU HA 4.50 (# 4341:20 Single Ambig)
&rst
ixpk= 4341, nxpk= 20, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 384, 458, 459,
&end
#
# 22 LEU HB- 22 LEU HA 2.80 (# 4342:20 Unique 2.24, 2.43 A)
&rst
ixpk= 4342, nxpk= 20, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 381, 382,
&end
#
# 22 LEU HN 22 LEU MDY 6.00 (# 4345:20 Unique 1.40, 3.34 A)
&rst
ixpk= 4345, nxpk= 20, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 0 AMB 20-2:4346 22 LEU MDY 2.80 (# 4346:20 Single Ambig)
&rst
ixpk= 4346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 384, 400,
igr2= 386, 387, 388, 390, 391, 392,
&end
#
# 61 SER HN 61 SER HA 3.50 (# 4347:20 Unique 2.75, 2.78 A)
&rst
ixpk= 4347, nxpk= 20, iat=1053,1055, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:4349 23 ILE QD1 2.80 (# 4349:20 Single Ambig)
&rst
ixpk= 4349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 406, 407, 524, 525,
igr2= 409, 410, 411,
&end
#
# 0 AMB 20-2:4351 0 AMB 20-1:4351 2.80 (# 4351:20 Double Ambig)
&rst
ixpk= 4351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1232,1233, 422, 423,
igr2=1149,1150, 419, 420,
&end
#
# 0 AMB 20-2:4352 0 AMB 20-1:4352 6.00 (# 4352:20 Double Ambig)
&rst
ixpk= 4352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 270, 415,
igr2= 277, 278, 277, 278, 422, 423,
&end
#
# 99 TYR HE 32 PRO HG- 8.00 (# 4353:20 Unique 2.03, 5.43 A)
&rst
ixpk= 4353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1683,1688,
igr2= 562, 563,
&end
#
# 0 AMB 20-2:4354 0 AMB 20-1:4354 4.50 (# 4354:20 Double Ambig)
&rst
ixpk= 4354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 417, 220,
igr2= 422, 423, 277, 278, 277, 278,
&end
#
# 24 ARG HB+ 24 ARG HG+ 2.80 (# 4355:20 Unique 2.22, 2.61 A)
&rst
ixpk= 4355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 419, 420,
igr2= 422, 423,
&end
#
# 0 AMB 20-2:4358 0 AMB 20-1:4358 2.80 (# 4358:20 Double Ambig)
&rst
ixpk= 4358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 454,1657,1709,
igr2= 443, 444, 443, 444,1646,1647,1646,1647,1698,1699,
1698,1699,
&end
#
# 0 AMB 20-2:4359 0 AMB 20-1:4359 2.80 (# 4359:20 Double Ambig)
&rst
ixpk= 4359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 377, 353,
igr2= 357, 358, 357, 358,
&end
#
# 27 HIS HD2 26 GLN HB+ 6.00 (# 4360:20 Unique 3.58, 5.74 A)
&rst
ixpk= 4360, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 458, 459,
&end
#
# 0 AMB 20-2:4361 0 AMB 20-1:4361 4.50 (# 4361:20 Double Ambig)
&rst
ixpk= 4361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 355, 39, 40, 22, 23,
igr2= 357, 358, 143, 144,
&end
#
# 21 ARG HD+ 21 ARG HB+ 6.00 (# 4362:20 Unique 2.01, 3.13 A)
&rst
ixpk= 4362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 363, 364,
igr2= 357, 358,
&end
#
# 21 ARG HD- 21 ARG HB+ 6.00 (# 4363:20 Unique 2.01, 3.13 A)
&rst
ixpk= 4363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 363, 364,
igr2= 357, 358,
&end
#
# 26 GLN HG+ 26 GLN HB- 3.50 (# 4364:20 Unique 2.20, 2.71 A)
&rst
ixpk= 4364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 461, 462,
igr2= 458, 459,
&end
#
# 0 AMB 20-2:4365 26 GLN HB- 2.80 (# 4365:20 Single Ambig)
&rst
ixpk= 4365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 461, 462, 443, 444,
igr2= 458, 459,
&end
#
# 22 LEU MDY 21 ARG HB+ 6.00 (# 4367:20 Unique 2.24, 5.19 A)
&rst
ixpk= 4367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 386, 387, 388, 390, 391, 392,
igr2= 357, 358,
&end
#
# 23 ILE HA 26 GLN HG- 6.00 (# 4368:20 Unique 1.97, 2.77 A)
&rst
ixpk= 4368, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 461, 462,
&end
#
# 53 LEU MDX 27 HIS HB+ 8.00 (# 4370:20 Unique 5.48, 7.76 A)
&rst
ixpk= 4370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 475, 476,
&end
#
# 53 LEU MDX 27 HIS HB- 8.00 (# 4371:20 Unique 5.48, 7.76 A)
&rst
ixpk= 4371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 475, 476,
&end
#
# 37 ARG HD- 45 PRO HB+ 6.00 (# 4372:20 Unique 5.19, 6.99 A)
&rst
ixpk= 4372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 651, 652,
igr2= 795, 796,
&end
#
# 0 AMB 20-2:4373 58 VAL HB 2.80 (# 4373:20 Single Ambig)
&rst
ixpk= 4373, nxpk= 20, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1012,1013,1014,1016,1017,1018,2212,2213,2214,2216,
2217,2218,1088,1089,1090,1092,1093,1094,
&end
#
# 26 GLN HG- 0 AMB 20-1:4376 6.00 (# 4376:20 Single Ambig)
&rst
ixpk= 4376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 461, 462,
igr2= 493, 494, 493, 494,
&end
#
# 29 THR HB 29 THR MG2 2.80 (# 4379:20 Unique 2.45, 2.65 A)
&rst
ixpk= 4379, nxpk= 20, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 509, 510, 511,
&end
#
# 118 THR MG2 117 GLU HG- 6.00 (# 4384:20 Unique 2.06, 4.33 A)
&rst
ixpk= 4384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1976,1977,1978,
igr2=1962,1963,
&end
#
# 0 AMB 20-2:4385 0 AMB 20-1:4385 6.00 (# 4385:20 Double Ambig)
&rst
ixpk= 4385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 50, 51, 8, 9,2240,2241,
igr2= 68, 69, 68, 69, 524, 525,
&end
#
# 53 LEU HB- 30 LYS HG+ 4.50 (# 4386:20 Unique 2.11, 4.24 A)
&rst
ixpk= 4386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 931, 932,
igr2= 524, 525,
&end
#
# 95 ILE HN 95 ILE HG1- 8.00 (# 4388:20 Unique 3.93, 4.41 A)
&rst
ixpk= 4388, nxpk= 20, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:4389 0 AMB 20-1:4389 8.00 (# 4389:20 Double Ambig)
&rst
ixpk= 4389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 628, 948,
igr2= 895, 896,1622,1623,
&end
#
# 59 ASN HB+ 95 ILE HG1+ 8.00 (# 4390:20 Unique 6.93, 7.86 A)
&rst
ixpk= 4390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1026,1027,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:4391 0 AMB 20-1:4391 4.50 (# 4391:20 Double Ambig)
&rst
ixpk= 4391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1047,1048,1049, 950, 630, 631,
igr2=1622,1623, 895, 896,
&end
#
# 0 AMB 20-2:4392 0 AMB 20-1:4392 6.00 (# 4392:20 Double Ambig)
&rst
ixpk= 4392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 950, 630, 631,
igr2=1622,1623, 895, 896,
&end
#
# 0 AMB 20-2:4393 0 AMB 20-1:4393 3.50 (# 4393:20 Double Ambig)
&rst
ixpk= 4393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1616, 543,
igr2=1622,1623,1622,1623,
&end
#
# 0 AMB 20-2:4394 95 ILE HG1- 3.50 (# 4394:20 Single Ambig)
&rst
ixpk= 4394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1616, 543,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:4400 0 AMB 20-1:4400 8.00 (# 4400:20 Double Ambig)
&rst
ixpk= 4400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 568, 574,
igr2= 562, 563, 422, 423,
&end
#
# 31 ILE QG2 33 VAL MGY 3.50 (# 4401:20 Unique 1.78, 5.11 A)
&rst
ixpk= 4401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 545, 546, 547,
igr2= 578, 579, 580, 582, 583, 584,
&end
#
# 34 ILE QG2 34 ILE HG1- 3.50 (# 4404:20 Unique 2.31, 3.38 A)
&rst
ixpk= 4404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 594, 595, 596,
igr2= 598, 599,
&end
#
# 34 ILE QG2 34 ILE HG1+ 6.00 (# 4405:20 Unique 2.31, 3.38 A)
&rst
ixpk= 4405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 594, 595, 596,
igr2= 598, 599,
&end
#
# 0 AMB 20-2:4407 35 ILE HB 3.50 (# 4407:20 Single Ambig)
&rst
ixpk= 4407, nxpk= 20, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1418,1419,1420,1422,1423,1424, 578, 579, 580, 582,
583, 584, 578, 579, 580, 582, 583, 584,
&end
#
# 52 PHE HB+ 35 ILE QG2 6.00 (# 4411:20 Unique 1.86, 4.07 A)
&rst
ixpk= 4411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 911, 912,
igr2= 613, 614, 615,
&end
#
# 37 ARG HN 0 AMB 20-1:4412 6.00 (# 4412:20 Single Ambig)
&rst
ixpk= 4412, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 633, 634, 633, 634,
&end
#
# 37 ARG HN 37 ARG HB+ 6.00 (# 4414:20 Unique 2.07, 2.80 A)
&rst
ixpk= 4414, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 645, 646,
&end
#
# 37 ARG HE 37 ARG HB+ 6.00 (# 4415:20 Unique 1.98, 3.73 A)
&rst
ixpk= 4415, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 645, 646,
&end
#
# 1 MET HA 10 ARG HB+ 6.00 (# 4416:20 Unique 1.99, 4.23 A)
&rst
ixpk= 4416, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 160, 161,
&end
#
# 0 AMB 20-2:4417 37 ARG HB- 6.00 (# 4417:20 Single Ambig)
&rst
ixpk= 4417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1919, 628,
igr2= 645, 646,
&end
#
# 37 ARG HD+ 37 ARG HB+ 6.00 (# 4418:20 Unique 2.02, 3.13 A)
&rst
ixpk= 4418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 651, 652,
igr2= 645, 646,
&end
#
# 0 AMB 20-2:4419 0 AMB 20-1:4419 6.00 (# 4419:20 Double Ambig)
&rst
ixpk= 4419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 651, 652, 643,
igr2= 645, 646, 645, 646,
&end
#
# 37 ARG HG- 37 ARG HB+ 6.00 (# 4421:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 648, 649,
igr2= 645, 646,
&end
#
# 0 AMB 20-2:4422 0 AMB 20-1:4422 8.00 (# 4422:20 Double Ambig)
&rst
ixpk= 4422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 722, 723, 756, 757,
igr2= 648, 649, 648, 649,
&end
#
# 37 ARG HE 37 ARG HG- 6.00 (# 4423:20 Unique 2.14, 3.28 A)
&rst
ixpk= 4423, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 648, 649,
&end
#
# 0 AMB 20-2:4424 37 ARG HG- 4.50 (# 4424:20 Single Ambig)
&rst
ixpk= 4424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 643, 651, 652,
igr2= 648, 649,
&end
#
# 0 AMB 20-2:4425 0 AMB 20-1:4425 6.00 (# 4425:20 Double Ambig)
&rst
ixpk= 4425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 651, 652, 101, 102,
igr2= 648, 649, 187, 188,
&end
#
# 75 ALA HN 74 ASN HB- 4.50 (# 4426:20 Unique 1.91, 3.18 A)
&rst
ixpk= 4426, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1308,1309,
&end
#
# 77 GLN HG+ 74 ASN HB+ 6.00 (# 4427:20 Unique 2.02, 5.56 A)
&rst
ixpk= 4427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1349,1350,
igr2=1308,1309,
&end
#
# 77 GLN HG+ 74 ASN HB- 6.00 (# 4428:20 Unique 2.02, 5.56 A)
&rst
ixpk= 4428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1349,1350,
igr2=1308,1309,
&end
#
# 77 GLN HG- 74 ASN HB- 6.00 (# 4429:20 Unique 2.02, 5.56 A)
&rst
ixpk= 4429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1349,1350,
igr2=1308,1309,
&end
#
# 77 GLN HG- 74 ASN HB+ 6.00 (# 4430:20 Unique 2.02, 5.56 A)
&rst
ixpk= 4430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1349,1350,
igr2=1308,1309,
&end
#
# 77 GLN HB- 74 ASN HB- 6.00 (# 4431:20 Unique 1.99, 4.08 A)
&rst
ixpk= 4431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1346,1347,
igr2=1308,1309,
&end
#
# 0 AMB 20-2:4432 0 AMB 20-1:4432 4.50 (# 4432:20 Double Ambig)
&rst
ixpk= 4432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 665, 117,
igr2= 669, 670, 101, 102,
&end
#
# 39 LYS HN 38 TYR HB+ 8.00 (# 4433:20 Unique 3.16, 3.85 A)
&rst
ixpk= 4433, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 669, 670,
&end
#
# 38 TYR HA 38 TYR HB+ 3.50 (# 4434:20 Unique 2.29, 2.43 A)
&rst
ixpk= 4434, nxpk= 20, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 669, 670,
&end
#
# 41 GLU HN 39 LYS HA 4.50 (# 4437:20 Unique 3.73, 4.29 A)
&rst
ixpk= 4437, nxpk= 20, iat= 715, 688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ARG HN 37 ARG HB- 6.00 (# 4438:20 Unique 2.07, 2.80 A)
&rst
ixpk= 4438, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 645, 646,
&end
#
# 38 TYR HN 37 ARG HB- 6.00 (# 4439:20 Unique 2.78, 3.85 A)
&rst
ixpk= 4439, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 645, 646,
&end
#
# 39 LYS HN 39 LYS HB- 4.50 (# 4440:20 Unique 2.08, 3.02 A)
&rst
ixpk= 4440, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 690, 691,
&end
#
# 0 AMB 20-2:4443 0 AMB 20-1:4443 2.80 (# 4443:20 Double Ambig)
&rst
ixpk= 4443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 690, 691, 696, 697, 696, 697,
igr2= 693, 694, 693, 694, 693, 694,
&end
#
# 0 AMB 20-2:4444 39 LYS HG- 2.80 (# 4444:20 Single Ambig)
&rst
ixpk= 4444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 690, 691, 696, 697, 696, 697,
igr2= 693, 694,
&end
#
# 42 LYS HG- 41 GLU HA 6.00 (# 4447:20 Unique 3.91, 5.06 A)
&rst
ixpk= 4447, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 737, 738,
&end
#
# 43 GLN HN 41 GLU HG+ 6.00 (# 4448:20 Unique 1.78, 2.69 A)
&rst
ixpk= 4448, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 722, 723,
&end
#
# 42 LYS HN 42 LYS HB+ 6.00 (# 4452:20 Unique 2.25, 2.99 A)
&rst
ixpk= 4452, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 734, 735,
&end
#
# 43 GLN HG- 42 LYS HB+ 6.00 (# 4453:20 Unique 5.19, 6.23 A)
&rst
ixpk= 4453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 759, 760,
igr2= 734, 735,
&end
#
# 42 LYS HG+ 42 LYS HB+ 3.50 (# 4455:20 Unique 2.21, 2.63 A)
&rst
ixpk= 4455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 737, 738,
igr2= 734, 735,
&end
#
# 42 LYS HG- 42 LYS HB+ 3.50 (# 4456:20 Unique 2.21, 2.63 A)
&rst
ixpk= 4456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 737, 738,
igr2= 734, 735,
&end
#
# 44 LEU HN 43 GLN HB+ 6.00 (# 4458:20 Unique 1.88, 2.72 A)
&rst
ixpk= 4458, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 756, 757,
&end
#
# 43 GLN HN 43 GLN HB- 4.50 (# 4459:20 Unique 2.29, 3.07 A)
&rst
ixpk= 4459, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 756, 757,
&end
#
# 0 AMB 20-2:4460 0 AMB 20-1:4460 6.00 (# 4460:20 Double Ambig)
&rst
ixpk= 4460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1472,1473,1811,1819,
igr2=1724,1725, 565, 566,
&end
#
# 0 AMB 20-2:4462 0 AMB 20-1:4462 6.00 (# 4462:20 Double Ambig)
&rst
ixpk= 4462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.45, r4=12.95,
igr1=1354,1355,1850,1859, 226, 234, 180,1694,
igr2= 756, 757,1724,1725, 274, 275, 274, 275,1724,1725,
&end
#
# 43 GLN HA 43 GLN HB- 3.50 (# 4463:20 Unique 2.25, 2.65 A)
&rst
ixpk= 4463, nxpk= 20, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 756, 757,
&end
#
# 114 ALA HA 43 GLN HB- 6.00 (# 4464:20 Unique 4.80, 6.22 A)
&rst
ixpk= 4464, nxpk= 20, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 756, 757,
&end
#
# 0 AMB 20-2:4465 0 AMB 20-1:4465 8.00 (# 4465:20 Double Ambig)
&rst
ixpk= 4465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1713,1714,1713,1714,
igr2=1724,1725,1724,1725,
&end
#
# 41 GLU HG+ 43 GLN HB+ 2.80 (# 4466:20 Unique 2.47, 4.03 A)
&rst
ixpk= 4466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 722, 723,
igr2= 756, 757,
&end
#
# 43 GLN HG- 43 GLN HB- 2.80 (# 4467:20 Unique 2.20, 2.66 A)
&rst
ixpk= 4467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 759, 760,
igr2= 756, 757,
&end
#
# 0 AMB 20-2:4470 0 AMB 20-1:4470 3.50 (# 4470:20 Double Ambig)
&rst
ixpk= 4470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 776,1451,
igr2= 756, 757,1724,1725,
&end
#
# 20 VAL MGY 16 ARG HB+ 8.00 (# 4471:20 Unique 4.26, 7.32 A)
&rst
ixpk= 4471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 274, 275,
&end
#
# 0 AMB 20-2:4472 0 AMB 20-1:4472 6.00 (# 4472:20 Double Ambig)
&rst
ixpk= 4472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1931,1932, 717,
igr2= 756, 757, 756, 757,
&end
#
# 12 THR HA 16 ARG HB+ 8.00 (# 4473:20 Unique 3.16, 4.59 A)
&rst
ixpk= 4473, nxpk= 20, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 274, 275,
&end
#
# 44 LEU HN 44 LEU HB- 6.00 (# 4474:20 Unique 2.47, 3.11 A)
&rst
ixpk= 4474, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 773, 774,
&end
#
# 114 ALA MB 116 GLN HG+ 6.00 (# 4475:20 Unique 3.12, 5.31 A)
&rst
ixpk= 4475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1921,1922,1923,
igr2=1945,1946,
&end
#
# 48 ASP HN 46 VAL MGY 6.00 (# 4476:20 Unique 3.26, 6.84 A)
&rst
ixpk= 4476, nxpk= 20, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 0 AMB 20-2:4477 46 VAL MGY 6.00 (# 4477:20 Single Ambig)
&rst
ixpk= 4477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 818, 871,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 0 AMB 20-2:4478 0 AMB 20-1:4478 6.00 (# 4478:20 Double Ambig)
&rst
ixpk= 4478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 915, 923, 654,
igr2= 952, 953, 954, 956, 957, 958, 808, 809, 810, 812,
813, 814,
&end
#
# 48 ASP HN 47 LEU HA 3.50 (# 4479:20 Unique 2.16, 2.69 A)
&rst
ixpk= 4479, nxpk= 20, iat= 837, 820, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 LEU HN 47 LEU HA 6.00 (# 4480:20 Unique 2.76, 2.86 A)
&rst
ixpk= 4480, nxpk= 20, iat= 818, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 ASP HN 47 LEU HG 8.00 (# 4482:20 Unique 1.83, 3.87 A)
&rst
ixpk= 4482, nxpk= 20, iat= 837, 825, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 47 LEU HN 47 LEU HG 6.00 (# 4483:20 Unique 1.93, 3.50 A)
&rst
ixpk= 4483, nxpk= 20, iat= 818, 825, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 LEU HN 81 LEU MDY 6.00 (# 4485:20 Unique 2.29, 4.97 A)
&rst
ixpk= 4485, nxpk= 20, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 47 LEU HA 0 AMB 20-1:4488 3.50 (# 4488:20 Single Ambig)
&rst
ixpk= 4488, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
&end
#
# 48 ASP HN 48 ASP HB- 3.50 (# 4490:20 Unique 2.25, 3.24 A)
&rst
ixpk= 4490, nxpk= 20, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 841, 842,
&end
#
# 49 LYS HA 49 LYS HD+ 4.50 (# 4495:20 Unique 2.35, 4.39 A)
&rst
ixpk= 4495, nxpk= 20, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 859, 860,
&end
#
# 0 AMB 20-2:4496 0 AMB 20-1:4496 4.50 (# 4496:20 Double Ambig)
&rst
ixpk= 4496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1251,1227,
igr2= 859, 860, 859, 860,
&end
#
# 0 AMB 20-2:4499 0 AMB 20-1:4499 2.80 (# 4499:20 Double Ambig)
&rst
ixpk= 4499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1229,1230,1229,1230,
igr2= 859, 860, 859, 860,
&end
#
# 51 LYS HE- 51 LYS HB+ 6.00 (# 4505:20 Unique 1.95, 3.47 A)
&rst
ixpk= 4505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 898, 899,
igr2= 889, 890,
&end
#
# 51 LYS HE+ 51 LYS HB+ 6.00 (# 4506:20 Unique 1.95, 3.47 A)
&rst
ixpk= 4506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 898, 899,
igr2= 889, 890,
&end
#
# 0 AMB 20-2:4507 0 AMB 20-1:4507 6.00 (# 4507:20 Double Ambig)
&rst
ixpk= 4507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 931, 932, 853, 854,
igr2= 889, 890, 889, 890,
&end
#
# 0 AMB 20-2:4509 0 AMB 20-1:4509 6.00 (# 4509:20 Double Ambig)
&rst
ixpk= 4509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 633, 634, 633, 634, 565, 566,
igr2= 648, 649, 934,
&end
#
# 0 AMB 20-2:4510 37 ARG HG- 6.00 (# 4510:20 Single Ambig)
&rst
ixpk= 4510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 737, 738, 645, 646,
igr2= 648, 649,
&end
#
# 27 HIS HB+ 53 LEU MDY 6.00 (# 4513:20 Unique 5.48, 7.76 A)
&rst
ixpk= 4513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 475, 476,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 53 LEU HA 54 VAL HB 6.00 (# 4514:20 Unique 4.02, 4.13 A)
&rst
ixpk= 4514, nxpk= 20, iat= 929, 950, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ILE HN 55 PRO HA 8.00 (# 4515:20 Unique 3.60, 3.99 A)
&rst
ixpk= 4515, nxpk= 20, iat= 539, 972, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 30 LYS HN 55 PRO HB+ 8.00 (# 4516:20 Unique 5.24, 6.76 A)
&rst
ixpk= 4516, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 969, 970,
&end
#
# 136 GLU HB- 55 PRO HB+ 3.50 (# 4517:20 Unique 1.99, 3.78 A)
&rst
ixpk= 4517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2240,2241,
igr2= 969, 970,
&end
#
# 136 GLU HB- 55 PRO HB- 3.50 (# 4518:20 Unique 1.99, 3.78 A)
&rst
ixpk= 4518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2240,2241,
igr2= 969, 970,
&end
#
# 0 AMB 20-2:4522 56 ASP HA 6.00 (# 4522:20 Single Ambig)
&rst
ixpk= 4522, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1622,1623, 521, 522,
&end
#
# 30 LYS HA 56 ASP HA 8.00 (# 4524:20 Unique 3.75, 4.20 A)
&rst
ixpk= 4524, nxpk= 20, iat= 519, 978, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 97 GLU HN 56 ASP HA 8.00 (# 4525:20 Unique 6.99, 7.37 A)
&rst
ixpk= 4525, nxpk= 20, iat=1642, 978, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 57 HIS HN 56 ASP HA 6.00 (# 4526:20 Unique 2.45, 2.61 A)
&rst
ixpk= 4526, nxpk= 20, iat= 988, 978, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 LYS HN 48 ASP HB- 6.00 (# 4527:20 Unique 1.90, 4.12 A)
&rst
ixpk= 4527, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 841, 842,
&end
#
# 0 AMB 20-2:4528 0 AMB 20-1:4528 8.00 (# 4528:20 Double Ambig)
&rst
ixpk= 4528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 517, 988,
igr2= 980, 981, 980, 981,
&end
#
# 0 AMB 20-2:4529 56 ASP HB- 6.00 (# 4529:20 Single Ambig)
&rst
ixpk= 4529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1635,1636,1635,1636,1633,
igr2= 980, 981,
&end
#
# 89 VAL HN 60 MET HB+ 8.00 (# 4530:20 Unique 5.33, 6.59 A)
&rst
ixpk= 4530, nxpk= 20, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1040,1041,
&end
#
# 0 AMB 20-2:4533 0 AMB 20-1:4533 6.00 (# 4533:20 Double Ambig)
&rst
ixpk= 4533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1520,1521,1520,1521,1520,1521,
igr2=1043,1044,1043,1044,1043,1044,
&end
#
# 0 AMB 20-2:4534 0 AMB 20-1:4534 3.50 (# 4534:20 Double Ambig)
&rst
ixpk= 4534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1040,1041,1040,1041,
igr2=1043,1044,1043,1044,
&end
#
# 63 LEU MDX 60 MET HG+ 8.00 (# 4535:20 Unique 3.41, 6.14 A)
&rst
ixpk= 4535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1088,1089,1090,1092,1093,1094,
igr2=1043,1044,
&end
#
# 61 SER HN 61 SER HA 3.50 (# 4536:20 Unique 2.75, 2.78 A)
&rst
ixpk= 4536, nxpk= 20, iat=1053,1055, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ILE QD1 61 SER HA 2.80 (# 4537:20 Unique 2.01, 3.64 A)
&rst
ixpk= 4537, nxpk= 20, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1111,1112,1113,
&end
#
# 59 ASN HD2- 0 AMB 20-1:4539 8.00 (# 4539:20 Single Ambig)
&rst
ixpk= 4539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1031,1032,
igr2=1057,1058,1057,1058,
&end
#
# 134 LEU MDY 58 VAL HA 6.00 (# 4540:20 Unique 4.86, 6.66 A)
&rst
ixpk= 4540, nxpk= 20, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2212,2213,2214,2216,2217,2218,
&end
#
# 66 ILE QG2 64 ILE HA 6.00 (# 4541:20 Unique 4.70, 5.78 A)
&rst
ixpk= 4541, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1145,1146,1147,
&end
#
# 81 LEU HB+ 64 ILE HG1+ 6.00 (# 4542:20 Unique 2.00, 3.45 A)
&rst
ixpk= 4542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1413,1414,
igr2=1108,1109,
&end
#
# 81 LEU HG 64 ILE HG1+ 8.00 (# 4543:20 Unique 1.99, 4.23 A)
&rst
ixpk= 4543, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1108,1109,
&end
#
# 0 AMB 20-2:4544 65 LYS HB- 6.00 (# 4544:20 Single Ambig)
&rst
ixpk= 4544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1130,1131,1130,1131,
igr2=1121,1122,
&end
#
# 65 LYS HN 0 AMB 20-1:4547 6.00 (# 4547:20 Single Ambig)
&rst
ixpk= 4547, nxpk= 20, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1127,1128,1127,1128,
&end
#
# 66 ILE HN 0 AMB 20-1:4548 6.00 (# 4548:20 Single Ambig)
&rst
ixpk= 4548, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1127,1128,1127,1128,
&end
#
# 62 GLU HA 0 AMB 20-1:4549 6.00 (# 4549:20 Single Ambig)
&rst
ixpk= 4549, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1127,1128,1127,1128,
&end
#
# 63 LEU HB+ 66 ILE QD1 6.00 (# 4552:20 Unique 3.68, 6.53 A)
&rst
ixpk= 4552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1083,1084,
igr2=1152,1153,1154,
&end
#
# 0 AMB 20-2:4553 66 ILE QD1 2.80 (# 4553:20 Single Ambig)
&rst
ixpk= 4553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2212,2213,2214,2216,2217,2218,1145,1146,1147,
igr2=1152,1153,1154,
&end
#
# 68 ARG HD+ 68 ARG HA 6.00 (# 4554:20 Unique 2.04, 3.78 A)
&rst
ixpk= 4554, nxpk= 20, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1187,1188,
&end
#
# 69 ARG HB- 69 ARG HA 3.50 (# 4560:20 Unique 2.28, 2.75 A)
&rst
ixpk= 4560, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1205,1206,
&end
#
# 0 AMB 20-2:4561 69 ARG HA 8.00 (# 4561:20 Single Ambig)
&rst
ixpk= 4561, nxpk= 20, iat= -1,1203, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1289,1290,1253,1254,
&end
#
# 0 AMB 20-2:4562 0 AMB 20-1:4562 3.50 (# 4562:20 Double Ambig)
&rst
ixpk= 4562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 61,1079,1225,
igr2= 50, 51,1068,1069,1205,1206,
&end
#
# 68 ARG HA 0 AMB 20-1:4563 4.50 (# 4563:20 Single Ambig)
&rst
ixpk= 4563, nxpk= 20, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1229,1230,1229,1230,1205,1206,
&end
#
# 0 AMB 20-2:4567 0 AMB 20-1:4567 2.80 (# 4567:20 Double Ambig)
&rst
ixpk= 4567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 859, 860, 859, 860,1208,1209, 360, 361,1232,1233,
1232,1233,
igr2=1229,1230,1229,1230,1205,1206, 357, 358,1229,1230,
&end
#
# 0 AMB 20-2:4568 69 ARG HG- 6.00 (# 4568:20 Single Ambig)
&rst
ixpk= 4568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1275,1276,1275,1276,1272,1273,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:4570 0 AMB 20-1:4570 2.80 (# 4570:20 Double Ambig)
&rst
ixpk= 4570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1205,1206,1229,1230,1229,1230,1229,1230,
igr2=1208,1209,1232,1233,
&end
#
# 70 ARG HN 0 AMB 20-1:4571 8.00 (# 4571:20 Single Ambig)
&rst
ixpk= 4571, nxpk= 20, iat=1225, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1235,1236,1211,1212,1211,1212,
&end
#
# 0 AMB 20-2:4572 0 AMB 20-1:4572 8.00 (# 4572:20 Double Ambig)
&rst
ixpk= 4572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1= 193,1249,1268,
igr2= 166, 167, 166, 167,1235,1236,
&end
#
# 22 LEU HB- 22 LEU HA 2.80 (# 4573:20 Unique 2.24, 2.43 A)
&rst
ixpk= 4573, nxpk= 20, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 381, 382,
&end
#
# 0 AMB 20-2:4574 0 AMB 20-1:4574 6.00 (# 4574:20 Double Ambig)
&rst
ixpk= 4574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1249,1268,
igr2=1205,1206,1205,1206,
&end
#
# 0 AMB 20-2:4575 0 AMB 20-1:4575 4.50 (# 4575:20 Double Ambig)
&rst
ixpk= 4575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
igr2=1432,1433,1432,1433,
&end
#
# 0 AMB 20-2:4576 71 LEU HG 8.00 (# 4576:20 Single Ambig)
&rst
ixpk= 4576, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 825, 822, 823,
&end
#
# 0 AMB 20-2:4577 71 LEU HG 8.00 (# 4577:20 Single Ambig)
&rst
ixpk= 4577, nxpk= 20, iat= -1,1256, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1229,1230,1229,1230,
&end
#
# 71 LEU HA 72 GLN HA 6.00 (# 4580:20 Unique 4.76, 4.85 A)
&rst
ixpk= 4580, nxpk= 20, iat=1251,1270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:4584 0 AMB 20-1:4584 6.00 (# 4584:20 Double Ambig)
&rst
ixpk= 4584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1130,1131,1130,1131,
igr2=1124,1125,1124,1125,
&end
#
# 0 AMB 20-2:4585 0 AMB 20-1:4585 3.50 (# 4585:20 Double Ambig)
&rst
ixpk= 4585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1121,1122,1121,1122,
igr2=1124,1125,1124,1125,
&end
#
# 74 ASN HB+ 74 ASN HA 6.00 (# 4589:20 Unique 2.38, 2.81 A)
&rst
ixpk= 4589, nxpk= 20, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1308,1309,
&end
#
# 75 ALA HN 0 AMB 20-1:4597 8.00 (# 4597:20 Single Ambig)
&rst
ixpk= 4597, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2=1332,1333,1332,1333,
&end
#
# 0 AMB 20-2:4598 0 AMB 20-1:4598 2.80 (# 4598:20 Double Ambig)
&rst
ixpk= 4598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1308,1309,1308,1309,
igr2=1332,1333,1332,1333,
&end
#
# 0 AMB 20-2:4602 79 PHE HB- 8.00 (# 4602:20 Single Ambig)
&rst
ixpk= 4602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1181,1182,1181,1182,
igr2=1373,1374,
&end
#
# 44 LEU MDY 79 PHE HB- 6.00 (# 4603:20 Unique 2.33, 5.84 A)
&rst
ixpk= 4603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1373,1374,
&end
#
# 0 AMB 20-2:4605 0 AMB 20-1:4605 6.00 (# 4605:20 Double Ambig)
&rst
ixpk= 4605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1389,1917,
igr2=1393,1394,1393,1394,
&end
#
# 81 LEU HN 80 PHE HB+ 6.00 (# 4606:20 Unique 2.57, 3.75 A)
&rst
ixpk= 4606, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1393,1394,
&end
#
# 80 PHE HE 80 PHE HB+ 6.00 (# 4607:20 Unique 4.61, 5.05 A)
&rst
ixpk= 4607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1399,1403,
igr2=1393,1394,
&end
#
# 0 AMB 20-2:4608 0 AMB 20-1:4608 3.50 (# 4608:20 Double Ambig)
&rst
ixpk= 4608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1391,1504,
igr2=1393,1394,1393,1394,
&end
#
# 0 AMB 20-2:4609 0 AMB 20-1:4609 6.00 (# 4609:20 Double Ambig)
&rst
ixpk= 4609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1957,1761,1762,
igr2=1393,1394,1748,1749,
&end
#
# 0 AMB 20-2:4611 0 AMB 20-1:4611 4.50 (# 4611:20 Double Ambig)
&rst
ixpk= 4611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=1294,1295,1296,1298,1299,1300,1437,1438,1439,1441,
1442,1443,1437,1438,1439,1441,1442,1443,
igr2=1373,1374,1393,1394,1393,1394,
&end
#
# 0 AMB 20-2:4612 0 AMB 20-1:4612 6.00 (# 4612:20 Double Ambig)
&rst
ixpk= 4612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
igr2=1413,1414,1413,1414,
&end
#
# 111 MET ME 81 LEU MDX 4.50 (# 4613:20 Unique 3.43, 6.43 A)
&rst
ixpk= 4613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1874,1875,1876,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 64 ILE HG1+ 81 LEU MDX 2.80 (# 4614:20 Unique 1.49, 4.57 A)
&rst
ixpk= 4614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1108,1109,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 48 ASP HN 0 AMB 20-1:4615 4.50 (# 4615:20 Single Ambig)
&rst
ixpk= 4615, nxpk= 20, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
&end
#
# 0 AMB 20-2:4619 82 LEU HB- 6.00 (# 4619:20 Single Ambig)
&rst
ixpk= 4619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
1423,1424,
igr2=1432,1433,
&end
#
# 0 AMB 20-2:4620 82 LEU HG 8.00 (# 4620:20 Single Ambig)
&rst
ixpk= 4620, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1393,1394, 669, 670, 643,
&end
#
# 82 LEU HG 0 AMB 20-1:4621 2.80 (# 4621:20 Single Ambig)
&rst
ixpk= 4621, nxpk= 20, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 20-2:4622 83 VAL HB 4.50 (# 4622:20 Single Ambig)
&rst
ixpk= 4622, nxpk= 20, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1870,1871,1870,1871,
&end
#
# 0 AMB 20-2:4624 0 AMB 20-1:4624 6.00 (# 4624:20 Double Ambig)
&rst
ixpk= 4624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.84, r4=13.34,
igr1=1488,1489,1488,1489,1467,1468,1467,1468,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 84 ASN HB- 0 AMB 20-1:4625 6.00 (# 4625:20 Single Ambig)
&rst
ixpk= 4625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1467,1468,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 80 PHE HD 89 VAL HA 8.00 (# 4628:20 Unique 2.87, 7.03 A)
&rst
ixpk= 4628, nxpk= 20, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1397,1405,
&end
#
# 0 AMB 20-2:4629 89 VAL HA 2.80 (# 4629:20 Single Ambig)
&rst
ixpk= 4629, nxpk= 20, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,1108,1109,
&end
#
# 88 MET HA 90 SER HA 8.00 (# 4632:20 Unique 5.51, 5.71 A)
&rst
ixpk= 4632, nxpk= 20, iat=1515,1548, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 59 ASN HN 58 VAL HA 3.50 (# 4633:20 Unique 2.14, 2.20 A)
&rst
ixpk= 4633, nxpk= 20, iat=1022,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:4634 0 AMB 20-1:4634 6.00 (# 4634:20 Double Ambig)
&rst
ixpk= 4634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1557,1064,
igr2=1550,1551,1008,
&end
#
# 90 SER HA 90 SER HB- 2.80 (# 4635:20 Unique 2.31, 2.76 A)
&rst
ixpk= 4635, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1550,1551,
&end
#
# 58 VAL MGY 58 VAL HA 2.80 (# 4636:20 Unique 2.35, 3.19 A)
&rst
ixpk= 4636, nxpk= 20, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1012,1013,1014,1016,1017,1018,
&end
#
# 95 ILE HA 93 THR MG2 6.00 (# 4637:20 Unique 4.14, 4.93 A)
&rst
ixpk= 4637, nxpk= 20, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1590,1591,1592,
&end
#
# 97 GLU HG+ 93 THR MG2 6.00 (# 4639:20 Unique 2.92, 5.20 A)
&rst
ixpk= 4639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1649,1650,
igr2=1590,1591,1592,
&end
#
# 97 GLU HN 94 PRO HG- 6.00 (# 4640:20 Unique 2.59, 3.68 A)
&rst
ixpk= 4640, nxpk= 20, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1602,1603,
&end
#
# 94 PRO HB+ 94 PRO HG+ 2.80 (# 4641:20 Unique 2.31, 2.56 A)
&rst
ixpk= 4641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1605,1606,
igr2=1602,1603,
&end
#
# 98 VAL HN 95 ILE HA 6.00 (# 4642:20 Unique 3.22, 3.31 A)
&rst
ixpk= 4642, nxpk= 20, iat=1657,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ILE HG1- 95 ILE HA 4.50 (# 4643:20 Unique 2.29, 2.60 A)
&rst
ixpk= 4643, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1622,1623,
&end
#
# 0 AMB 20-2:4645 98 VAL HA 3.50 (# 4645:20 Single Ambig)
&rst
ixpk= 4645, nxpk= 20, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1713,1714,1713,1714,
&end
#
# 102 GLU HB- 98 VAL HB 6.00 (# 4646:20 Unique 4.89, 5.95 A)
&rst
ixpk= 4646, nxpk= 20, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1724,1725,
&end
#
# 6 THR MG2 39 LYS HA 6.00 (# 4647:20 Unique 5.66, 7.22 A)
&rst
ixpk= 4647, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 89, 90, 91,
&end
#
# 100 GLU HN 0 AMB 20-1:4648 2.80 (# 4648:20 Single Ambig)
&rst
ixpk= 4648, nxpk= 20, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1698,1699,1698,1699,
&end
#
# 102 GLU HN 101 SER HA 6.00 (# 4650:20 Unique 3.39, 3.45 A)
&rst
ixpk= 4650, nxpk= 20, iat=1720,1711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 VAL HA 0 AMB 20-1:4652 6.00 (# 4652:20 Single Ambig)
&rst
ixpk= 4652, nxpk= 20, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1713,1714,1713,1714,
&end
#
# 103 LYS HN 103 LYS HA 6.00 (# 4655:20 Unique 2.76, 2.79 A)
&rst
ixpk= 4655, nxpk= 20, iat=1735,1737, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:4656 9 GLN HA 6.00 (# 4656:20 Single Ambig)
&rst
ixpk= 4656, nxpk= 20, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 121, 122, 121, 122,
&end
#
# 0 AMB 20-2:4657 0 AMB 20-1:4657 8.00 (# 4657:20 Double Ambig)
&rst
ixpk= 4657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1748,1749,1748,1749,
igr2=1739,1740,1739,1740,
&end
#
# 103 LYS HD+ 103 LYS HB+ 3.50 (# 4658:20 Unique 2.02, 3.20 A)
&rst
ixpk= 4658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1745,1746,
igr2=1739,1740,
&end
#
# 103 LYS HA 103 LYS HD+ 8.00 (# 4659:20 Unique 2.08, 3.82 A)
&rst
ixpk= 4659, nxpk= 20, iat=1737, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1745,1746,
&end
#
# 103 LYS HB+ 103 LYS HD+ 4.50 (# 4660:20 Unique 2.02, 3.20 A)
&rst
ixpk= 4660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1739,1740,
igr2=1745,1746,
&end
#
# 80 PHE HN 79 PHE HB+ 6.00 (# 4661:20 Unique 2.55, 3.92 A)
&rst
ixpk= 4661, nxpk= 20, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1373,1374,
&end
#
# 103 LYS HN 103 LYS HE+ 6.00 (# 4662:20 Unique 4.24, 5.89 A)
&rst
ixpk= 4662, nxpk= 20, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1748,1749,
&end
#
# 103 LYS HB+ 103 LYS HE- 4.50 (# 4665:20 Unique 2.22, 3.85 A)
&rst
ixpk= 4665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1739,1740,
igr2=1748,1749,
&end
#
# 103 LYS HB- 103 LYS HE- 4.50 (# 4666:20 Unique 2.22, 3.85 A)
&rst
ixpk= 4666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1739,1740,
igr2=1748,1749,
&end
#
# 104 ASP HN 105 GLU HA 8.00 (# 4667:20 Unique 5.17, 5.28 A)
&rst
ixpk= 4667, nxpk= 20, iat=1757,1771, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 20-2:4670 0 AMB 20-1:4670 2.80 (# 4670:20 Double Ambig)
&rst
ixpk= 4670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1773,1774,1773,1774,1773,1774,
igr2=1776,1777,1776,1777,1776,1777,
&end
#
# 0 AMB 20-2:4671 106 ASP HA 6.00 (# 4671:20 Single Ambig)
&rst
ixpk= 4671, nxpk= 20, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 296,1761,1762,
&end
#
# 103 LYS HD+ 107 GLY HA+ 8.00 (# 4673:20 Unique 3.12, 6.45 A)
&rst
ixpk= 4673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1745,1746,
igr2=1798,1799,
&end
#
# 103 LYS HB- 107 GLY HA- 8.00 (# 4676:20 Unique 5.44, 8.00 A)
&rst
ixpk= 4676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1739,1740,
igr2=1798,1799,
&end
#
# 0 AMB 20-2:4678 109 LEU HA 8.00 (# 4678:20 Single Ambig)
&rst
ixpk= 4678, nxpk= 20, iat= -1,1825, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1827,1828,1724,1725,
&end
#
# 0 AMB 20-2:4679 0 AMB 20-1:4679 6.00 (# 4679:20 Double Ambig)
&rst
ixpk= 4679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 117,1880,
igr2= 101, 102,1846,1847,
&end
#
# 0 AMB 20-2:4680 0 AMB 20-1:4680 6.00 (# 4680:20 Double Ambig)
&rst
ixpk= 4680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 87,1825,1759,
igr2= 101, 102,1846,1847,1846,1847,
&end
#
# 83 VAL HA 0 AMB 20-1:4681 6.00 (# 4681:20 Single Ambig)
&rst
ixpk= 4681, nxpk= 20, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1870,1871,1870,1871,
&end
#
# 36 GLU HB+ 112 VAL HB 6.00 (# 4683:20 Unique 5.27, 6.87 A)
&rst
ixpk= 4683, nxpk= 20, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 630, 631,
&end
#
# 116 GLN HN 116 GLN HG- 6.00 (# 4691:20 Unique 2.63, 3.70 A)
&rst
ixpk= 4691, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1945,1946,
&end
#
# 119 PHE HB- 116 GLN HG+ 6.00 (# 4692:20 Unique 2.76, 5.68 A)
&rst
ixpk= 4692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1988,1989,
igr2=1945,1946,
&end
#
# 117 GLU HA 118 THR HA 8.00 (# 4694:20 Unique 4.51, 4.56 A)
&rst
ixpk= 4694, nxpk= 20, iat=1957,1972, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 118 THR HN 119 PHE HB- 8.00 (# 4697:20 Unique 4.49, 6.08 A)
&rst
ixpk= 4697, nxpk= 20, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1988,1989,
&end
#
# 116 GLN HN 44 LEU MDY 8.00 (# 4700:20 Unique 4.24, 6.37 A)
&rst
ixpk= 4700, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 123 GLU HG- 51 LYS HB- 8.00 (# 4703:20 Unique 5.15, 7.67 A)
&rst
ixpk= 4703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=2054,2055,
igr2= 889, 890,
&end
#
# 67 ILE HN 67 ILE HG1+ 6.00 (# 4704:20 Unique 2.20, 3.77 A)
&rst
ixpk= 4704, nxpk= 20, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1168,1169,
&end
#
# 67 ILE HA 67 ILE HG1+ 6.00 (# 4705:20 Unique 2.01, 2.94 A)
&rst
ixpk= 4705, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1168,1169,
&end
#
# 0 AMB 20-2:4706 0 AMB 20-1:4706 6.00 (# 4706:20 Double Ambig)
&rst
ixpk= 4706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 859, 860,1162,
igr2=1168,1169,1168,1169,
&end
#
# 67 ILE QG2 67 ILE HG1+ 4.50 (# 4707:20 Unique 2.31, 3.38 A)
&rst
ixpk= 4707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1164,1165,1166,
igr2=1168,1169,
&end
#
# 35 ILE QD1 67 ILE HG1+ 8.00 (# 4708:20 Unique 1.97, 4.74 A)
&rst
ixpk= 4708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 620, 621, 622,
igr2=1168,1169,
&end
#
# 111 MET HA 0 AMB 20-1:4710 6.00 (# 4710:20 Single Ambig)
&rst
ixpk= 4710, nxpk= 20, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 89 VAL HN 0 AMB 20-1:4711 6.00 (# 4711:20 Single Ambig)
&rst
ixpk= 4711, nxpk= 20, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1520,1521,1520,1521,
&end
#
# 29 THR HA 55 PRO HB+ 6.00 (# 4712:20 Unique 4.64, 6.52 A)
&rst
ixpk= 4712, nxpk= 20, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 969, 970,
&end
#
# 0 AMB 20-2:4714 0 AMB 20-1:4714 2.80 (# 4714:20 Double Ambig)
&rst
ixpk= 4714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1517,1518,1517,1518,1524,1525,1526,
igr2=1520,1521,1520,1521,1520,1521,
&end
#
# 0 AMB 20-2:4715 0 AMB 20-1:4715 2.80 (# 4715:20 Double Ambig)
&rst
ixpk= 4715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1517,1518,1451,
igr2=1520,1521,1520,1521,1520,1521,
&end
#
# 9 GLN HE2+ 9 GLN HB+ 8.00 (# 4718:20 Unique 1.90, 3.84 A)
&rst
ixpk= 4718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 151, 152,
igr2= 143, 144,
&end
#
# 77 GLN HE2- 77 GLN HB- 6.00 (# 4719:20 Unique 2.03, 3.94 A)
&rst
ixpk= 4719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1354,1355,
igr2=1346,1347,
&end
#
# 0 AMB 20-2:4720 0 AMB 20-1:4720 6.00 (# 4720:20 Double Ambig)
&rst
ixpk= 4720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 68, 69, 71, 72, 71, 72,
igr2= 143, 144, 143, 144, 143, 144,
&end
#
# 0 AMB 20-2:4721 0 AMB 20-1:4721 3.50 (# 4721:20 Double Ambig)
&rst
ixpk= 4721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 68, 69, 360, 361, 71, 72,
igr2= 143, 144, 357, 358,
&end
#
# 74 ASN HB+ 77 GLN HG- 6.00 (# 4722:20 Unique 2.02, 5.56 A)
&rst
ixpk= 4722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1308,1309,
igr2=1349,1350,
&end
#
# 0 AMB 20-2:4723 0 AMB 20-1:4723 2.80 (# 4723:20 Double Ambig)
&rst
ixpk= 4723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1346,1347, 242, 243,
igr2=1349,1350, 260, 261,
&end
#
# 10 ARG HN 10 ARG HB- 6.00 (# 4724:20 Unique 2.65, 3.42 A)
&rst
ixpk= 4724, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 160, 161,
&end
#
# 10 ARG HN 10 ARG HB+ 8.00 (# 4725:20 Unique 2.65, 3.42 A)
&rst
ixpk= 4725, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 160, 161,
&end
#
# 11 ARG HN 10 ARG HB+ 6.00 (# 4726:20 Unique 1.61, 3.03 A)
&rst
ixpk= 4726, nxpk= 20, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 160, 161,
&end
#
# 11 ARG HN 10 ARG HB- 8.00 (# 4727:20 Unique 1.61, 3.03 A)
&rst
ixpk= 4727, nxpk= 20, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 160, 161,
&end
#
# 10 ARG HA 10 ARG HB+ 6.00 (# 4728:20 Unique 2.27, 2.44 A)
&rst
ixpk= 4728, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 160, 161,
&end
#
# 10 ARG HA 10 ARG HB- 6.00 (# 4729:20 Unique 2.27, 2.44 A)
&rst
ixpk= 4729, nxpk= 20, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 160, 161,
&end
#
# 37 ARG HD+ 37 ARG HB+ 6.00 (# 4730:20 Unique 2.02, 3.13 A)
&rst
ixpk= 4730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 651, 652,
igr2= 645, 646,
&end
#
# 0 AMB 20-2:4734 0 AMB 20-1:4734 2.80 (# 4734:20 Double Ambig)
&rst
ixpk= 4734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 163, 164, 773, 774, 734, 735,
igr2= 160, 161, 645, 646, 645, 646,
&end
#
# 10 ARG HN 10 ARG HG+ 8.00 (# 4735:20 Unique 1.74, 2.51 A)
&rst
ixpk= 4735, nxpk= 20, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 163, 164,
&end
#
# 0 AMB 20-2:4738 0 AMB 20-1:4738 6.00 (# 4738:20 Double Ambig)
&rst
ixpk= 4738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 166, 167, 166, 167,
igr2= 163, 164, 163, 164,
&end
#
# 10 ARG HB+ 10 ARG HG+ 4.50 (# 4739:20 Unique 2.21, 2.71 A)
&rst
ixpk= 4739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 160, 161,
igr2= 163, 164,
&end
#
# 10 ARG HB+ 10 ARG HG- 4.50 (# 4740:20 Unique 2.21, 2.71 A)
&rst
ixpk= 4740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 160, 161,
igr2= 163, 164,
&end
#
# 0 AMB 20-2:4743 0 AMB 20-1:4743 6.00 (# 4743:20 Double Ambig)
&rst
ixpk= 4743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 184, 185, 892, 893,
igr2= 163, 164, 163, 164,
&end
#
# 12 THR HN 11 ARG HB+ 8.00 (# 4744:20 Unique 2.81, 3.88 A)
&rst
ixpk= 4744, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 184, 185,
&end
#
# 11 ARG HN 11 ARG HB+ 6.00 (# 4745:20 Unique 2.35, 3.15 A)
&rst
ixpk= 4745, nxpk= 20, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 184, 185,
&end
#
# 11 ARG HN 11 ARG HB- 6.00 (# 4746:20 Unique 2.35, 3.15 A)
&rst
ixpk= 4746, nxpk= 20, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 184, 185,
&end
#
# 11 ARG HA 11 ARG HB+ 6.00 (# 4747:20 Unique 2.31, 2.69 A)
&rst
ixpk= 4747, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 184, 185,
&end
#
# 11 ARG HA 11 ARG HB- 6.00 (# 4748:20 Unique 2.31, 2.69 A)
&rst
ixpk= 4748, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 184, 185,
&end
#
# 0 AMB 20-2:4749 0 AMB 20-1:4749 6.00 (# 4749:20 Double Ambig)
&rst
ixpk= 4749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 190, 191, 190, 191,
igr2= 184, 185, 184, 185,
&end
#
# 0 AMB 20-2:4750 11 ARG HB- 6.00 (# 4750:20 Single Ambig)
&rst
ixpk= 4750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 190, 191, 190, 191,
igr2= 184, 185,
&end
#
# 15 GLN HB+ 11 ARG HB+ 6.00 (# 4751:20 Unique 1.98, 3.87 A)
&rst
ixpk= 4751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 257, 258,
igr2= 184, 185,
&end
#
# 15 GLN HB+ 11 ARG HB- 6.00 (# 4752:20 Unique 1.98, 3.87 A)
&rst
ixpk= 4752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 257, 258,
igr2= 184, 185,
&end
#
# 0 AMB 20-2:4753 11 ARG HB- 6.00 (# 4753:20 Single Ambig)
&rst
ixpk= 4753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 277, 278, 277, 278,
igr2= 184, 185,
&end
#
# 11 ARG HG- 11 ARG HB+ 4.50 (# 4755:20 Unique 2.21, 2.68 A)
&rst
ixpk= 4755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 187, 188,
igr2= 184, 185,
&end
#
# 11 ARG HG- 11 ARG HB- 4.50 (# 4756:20 Unique 2.21, 2.68 A)
&rst
ixpk= 4756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 187, 188,
igr2= 184, 185,
&end
#
# 11 ARG HA 11 ARG HG+ 6.00 (# 4758:20 Unique 2.23, 3.02 A)
&rst
ixpk= 4758, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 187, 188,
&end
#
# 0 AMB 20-2:4759 0 AMB 20-1:4759 6.00 (# 4759:20 Double Ambig)
&rst
ixpk= 4759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 651, 652, 101, 102,
igr2= 648, 649, 187, 188,
&end
#
# 0 AMB 20-2:4761 0 AMB 20-1:4761 8.00 (# 4761:20 Double Ambig)
&rst
ixpk= 4761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 257, 258, 898, 899,
igr2= 187, 188, 187, 188,
&end
#
# 0 AMB 20-2:4762 0 AMB 20-1:4762 6.00 (# 4762:20 Double Ambig)
&rst
ixpk= 4762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 740, 741, 163, 164, 773, 774,
igr2= 648, 649, 187, 188,
&end
#
# 11 ARG HB- 11 ARG HG+ 6.00 (# 4764:20 Unique 2.21, 2.68 A)
&rst
ixpk= 4764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 187, 188,
&end
#
# 15 GLN HE2- 15 GLN HG+ 6.00 (# 4766:20 Unique 2.15, 3.22 A)
&rst
ixpk= 4766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 265, 266,
igr2= 260, 261,
&end
#
# 12 THR HB 15 GLN HG+ 6.00 (# 4768:20 Unique 5.34, 6.69 A)
&rst
ixpk= 4768, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 260, 261,
&end
#
# 15 GLN HB+ 15 GLN HG+ 2.80 (# 4769:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 257, 258,
igr2= 260, 261,
&end
#
# 14 GLU HB+ 15 GLN HG+ 4.50 (# 4770:20 Unique 3.31, 4.36 A)
&rst
ixpk= 4770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 242, 243,
igr2= 260, 261,
&end
#
# 15 GLN HB- 15 GLN HG+ 6.00 (# 4771:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 257, 258,
igr2= 260, 261,
&end
#
# 57 HIS HN 57 HIS HB- 6.00 (# 4772:20 Unique 2.83, 3.27 A)
&rst
ixpk= 4772, nxpk= 20, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 992, 993,
&end
#
# 66 ILE HN 66 ILE QG2 6.00 (# 4775:20 Unique 1.71, 2.96 A)
&rst
ixpk= 4775, nxpk= 20, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1145,1146,1147,
&end
#
# 52 PHE HD 66 ILE QG2 6.00 (# 4777:20 Unique 5.45, 7.88 A)
&rst
ixpk= 4777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 915, 923,
igr2=1145,1146,1147,
&end
#
# 66 ILE HA 66 ILE QG2 4.50 (# 4778:20 Unique 2.50, 3.84 A)
&rst
ixpk= 4778, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1145,1146,1147,
&end
#
# 67 ILE HA 66 ILE QG2 6.00 (# 4779:20 Unique 3.08, 4.61 A)
&rst
ixpk= 4779, nxpk= 20, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:4780 0 AMB 20-1:4780 2.80 (# 4780:20 Double Ambig)
&rst
ixpk= 4780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1143,1121,1122,1867,1868,1867,1868,
igr2=1145,1146,1147, 613, 614, 615,
&end
#
# 0 AMB 20-2:4781 0 AMB 20-1:4781 6.00 (# 4781:20 Double Ambig)
&rst
ixpk= 4781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1086, 895, 896,1256, 592,
igr2=1145,1146,1147, 613, 614, 615,
&end
#
# 67 ILE HG1- 66 ILE QG2 4.50 (# 4782:20 Unique 2.23, 5.20 A)
&rst
ixpk= 4782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1168,1169,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:4783 35 ILE QG2 4.50 (# 4783:20 Single Ambig)
&rst
ixpk= 4783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 877, 878, 879, 889, 890,
igr2= 613, 614, 615,
&end
#
# 0 AMB 20-2:4784 0 AMB 20-1:4784 2.80 (# 4784:20 Double Ambig)
&rst
ixpk= 4784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1168,1169,1149,1150,1168,1169,
igr2=1145,1146,1147, 613, 614, 615,
&end
#
# 0 AMB 20-2:4785 66 ILE QG2 2.80 (# 4785:20 Single Ambig)
&rst
ixpk= 4785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1152,1153,1154,1088,1089,1090,1092,1093,1094,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:4786 0 AMB 20-1:4786 4.50 (# 4786:20 Double Ambig)
&rst
ixpk= 4786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1164,1165,1166, 594, 595, 596,
igr2= 613, 614, 615,1145,1146,1147,
&end
#
# 99 TYR HN 96 SER HA 6.00 (# 4787:20 Unique 3.33, 3.56 A)
&rst
ixpk= 4787, nxpk= 20, iat=1673,1633, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 TYR HB- 96 SER HA 6.00 (# 4789:20 Unique 2.57, 3.52 A)
&rst
ixpk= 4789, nxpk= 20, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1677,1678,
&end
#
# 96 SER HN 96 SER HA 6.00 (# 4791:20 Unique 2.76, 2.78 A)
&rst
ixpk= 4791, nxpk= 20, iat=1631,1633, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 ILE HG1- 67 ILE QG2 6.00 (# 4794:20 Unique 4.19, 5.84 A)
&rst
ixpk= 4794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1108,1109,
igr2=1164,1165,1166,
&end
#
# 42 LYS HN 43 GLN HB- 6.00 (# 4796:20 Unique 4.96, 5.77 A)
&rst
ixpk= 4796, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 756, 757,
&end
#
# 31 ILE QG2 109 LEU MDX 4.50 (# 4799:20 Unique 2.09, 5.51 A)
&rst
ixpk= 4799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 545, 546, 547,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 20-2:4800 109 LEU MDX 2.80 (# 4800:20 Single Ambig)
&rst
ixpk= 4800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1827,1828,1830,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 111 MET ME 109 LEU MDX 3.50 (# 4801:20 Unique 2.01, 5.44 A)
&rst
ixpk= 4801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1874,1875,1876,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 20-2:4802 109 LEU MDX 4.50 (# 4802:20 Single Ambig)
&rst
ixpk= 4802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1724,1725,1827,1828,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 99 TYR HA 109 LEU MDX 6.00 (# 4803:20 Unique 1.60, 3.34 A)
&rst
ixpk= 4803, nxpk= 20, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 20-2:4809 66 ILE HB 3.50 (# 4809:20 Single Ambig)
&rst
ixpk= 4809, nxpk= 20, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1145,1146,1147,2212,2213,2214,2216,2217,2218,
&end
#
# 36 GLU HA 0 AMB 20-1:4810 8.00 (# 4810:20 Single Ambig)
&rst
ixpk= 4810, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr2= 743, 744, 743, 744,
&end
#
# 0 AMB 20-2:4811 0 AMB 20-1:4811 6.00 (# 4811:20 Double Ambig)
&rst
ixpk= 4811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 184, 185, 210, 211, 212,
igr2= 260, 261, 260, 261,
&end
#
# 22 LEU MDX 26 GLN HG+ 6.00 (# 4814:20 Unique 2.67, 6.89 A)
&rst
ixpk= 4814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 386, 387, 388, 390, 391, 392,
igr2= 461, 462,
&end
#
# 26 GLN HB- 26 GLN HG+ 4.50 (# 4815:20 Unique 2.20, 2.71 A)
&rst
ixpk= 4815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 458, 459,
igr2= 461, 462,
&end
#
# 95 ILE QG2 0 AMB 20-1:4816 6.00 (# 4816:20 Single Ambig)
&rst
ixpk= 4816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1618,1619,1620,
igr2=1633,1635,1636,1635,1636,
&end
#
# 25 GLU HN 25 GLU HG- 6.00 (# 4817:20 Unique 3.90, 4.44 A)
&rst
ixpk= 4817, nxpk= 20, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 26 GLN HN 25 GLU HG- 6.00 (# 4818:20 Unique 3.45, 4.29 A)
&rst
ixpk= 4818, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 25 GLU HA 25 GLU HG- 6.00 (# 4819:20 Unique 2.17, 2.90 A)
&rst
ixpk= 4819, nxpk= 20, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 82 LEU HG 82 LEU HB+ 6.00 (# 4821:20 Unique 2.38, 2.75 A)
&rst
ixpk= 4821, nxpk= 20, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1432,1433,
&end
#
# 82 LEU HG 82 LEU HB- 6.00 (# 4822:20 Unique 2.38, 2.75 A)
&rst
ixpk= 4822, nxpk= 20, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1432,1433,
&end
#
# 4 GLU HN 4 GLU HG- 8.00 (# 4823:20 Unique 2.31, 4.34 A)
&rst
ixpk= 4823, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 53, 54,
&end
#
# 4 GLU HN 4 GLU HG+ 8.00 (# 4824:20 Unique 2.31, 4.34 A)
&rst
ixpk= 4824, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 53, 54,
&end
#
# 5 LYS HN 5 LYS HD+ 8.00 (# 4825:20 Unique 2.93, 4.68 A)
&rst
ixpk= 4825, nxpk= 20, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 71, 72,
&end
#
# 5 LYS HN 5 LYS HD- 8.00 (# 4826:20 Unique 2.93, 4.68 A)
&rst
ixpk= 4826, nxpk= 20, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 71, 72,
&end
#
# 5 LYS HA 5 LYS HD- 6.00 (# 4827:20 Unique 2.00, 3.61 A)
&rst
ixpk= 4827, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 71, 72,
&end
#
# 0 AMB 20-2:4828 5 LYS HD- 4.50 (# 4828:20 Single Ambig)
&rst
ixpk= 4828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 74, 75, 74, 75,
igr2= 71, 72,
&end
#
# 8 LYS HE+ 8 LYS HG- 8.00 (# 4829:20 Unique 2.03, 3.12 A)
&rst
ixpk= 4829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 130, 131,
igr2= 124, 125,
&end
#
# 51 LYS HN 51 LYS HG+ 8.00 (# 4831:20 Unique 1.84, 3.76 A)
&rst
ixpk= 4831, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 892, 893,
&end
#
# 51 LYS HA 51 LYS HG+ 6.00 (# 4832:20 Unique 2.12, 3.23 A)
&rst
ixpk= 4832, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 892, 893,
&end
#
# 51 LYS HD+ 51 LYS HG+ 6.00 (# 4833:20 Unique 2.22, 2.62 A)
&rst
ixpk= 4833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 895, 896,
igr2= 892, 893,
&end
#
# 34 ILE QD1 51 LYS HG+ 6.00 (# 4835:20 Unique 1.84, 5.77 A)
&rst
ixpk= 4835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 601, 602, 603,
igr2= 892, 893,
&end
#
# 53 LEU MDX 23 ILE HG1- 8.00 (# 4836:20 Unique 2.52, 5.70 A)
&rst
ixpk= 4836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 936, 937, 938, 940, 941, 942,
igr2= 406, 407,
&end
#
# 12 THR HN 15 GLN HB+ 6.00 (# 4838:20 Unique 1.91, 3.37 A)
&rst
ixpk= 4838, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 257, 258,
&end
#
# 16 ARG HN 15 GLN HB+ 8.00 (# 4839:20 Unique 2.22, 2.96 A)
&rst
ixpk= 4839, nxpk= 20, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 257, 258,
&end
#
# 16 ARG HN 15 GLN HB- 6.00 (# 4840:20 Unique 2.22, 2.96 A)
&rst
ixpk= 4840, nxpk= 20, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 257, 258,
&end
#
# 15 GLN HN 15 GLN HB+ 6.00 (# 4841:20 Unique 2.29, 2.96 A)
&rst
ixpk= 4841, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 257, 258,
&end
#
# 15 GLN HN 15 GLN HB- 4.50 (# 4842:20 Unique 2.29, 2.96 A)
&rst
ixpk= 4842, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 257, 258,
&end
#
# 15 GLN HA 15 GLN HB+ 4.50 (# 4843:20 Unique 2.37, 2.77 A)
&rst
ixpk= 4843, nxpk= 20, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 257, 258,
&end
#
# 15 GLN HA 15 GLN HB- 2.80 (# 4844:20 Unique 2.37, 2.77 A)
&rst
ixpk= 4844, nxpk= 20, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 257, 258,
&end
#
# 15 GLN HG+ 15 GLN HB+ 2.80 (# 4845:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 260, 261,
igr2= 257, 258,
&end
#
# 11 ARG HB+ 15 GLN HB+ 6.00 (# 4848:20 Unique 1.98, 3.87 A)
&rst
ixpk= 4848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 257, 258,
&end
#
# 11 ARG HB+ 15 GLN HB- 6.00 (# 4849:20 Unique 1.98, 3.87 A)
&rst
ixpk= 4849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 257, 258,
&end
#
# 0 AMB 20-2:4850 0 AMB 20-1:4850 6.00 (# 4850:20 Double Ambig)
&rst
ixpk= 4850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 190, 191, 190, 191,
igr2= 257, 258, 257, 258,
&end
#
# 0 AMB 20-2:4851 15 GLN HB- 6.00 (# 4851:20 Single Ambig)
&rst
ixpk= 4851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 190, 191, 190, 191,
igr2= 257, 258,
&end
#
# 41 GLU HG- 41 GLU HA 6.00 (# 4852:20 Unique 2.30, 3.28 A)
&rst
ixpk= 4852, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 722, 723,
&end
#
# 41 GLU HB- 41 GLU HA 3.50 (# 4853:20 Unique 2.21, 2.68 A)
&rst
ixpk= 4853, nxpk= 20, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 719, 720,
&end
#
# 42 LYS HB+ 41 GLU HB- 6.00 (# 4854:20 Unique 5.89, 6.81 A)
&rst
ixpk= 4854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 734, 735,
igr2= 719, 720,
&end
#
# 109 LEU MDY 109 LEU HB+ 3.50 (# 4855:20 Unique 2.33, 3.36 A)
&rst
ixpk= 4855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1832,1833,1834,1836,1837,1838,
igr2=1827,1828,
&end
#
# 109 LEU MDY 109 LEU HB- 3.50 (# 4856:20 Unique 2.33, 3.36 A)
&rst
ixpk= 4856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1832,1833,1834,1836,1837,1838,
igr2=1827,1828,
&end
#
# 0 AMB 20-2:4857 109 LEU MDY 2.80 (# 4857:20 Single Ambig)
&rst
ixpk= 4857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1827,1828,1830,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 112 VAL HN 85 GLY HA- 4.50 (# 4858:20 Unique 4.73, 5.49 A)
&rst
ixpk= 4858, nxpk= 20, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1479,1480,
&end
#
# 104 ASP HB+ 104 ASP HA 6.00 (# 4860:20 Unique 2.24, 2.77 A)
&rst
ixpk= 4860, nxpk= 20, iat= -1,1759, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1761,1762,
&end
#
# 0 AMB 20-2:4861 0 AMB 20-1:4861 6.00 (# 4861:20 Double Ambig)
&rst
ixpk= 4861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1361,1737,1771,
igr2=1187,1188,1761,1762,
&end
#
# 51 LYS HB- 51 LYS HA 8.00 (# 4862:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4862, nxpk= 20, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 889, 890,
&end
#
# 0 AMB 20-2:4863 51 LYS HA 8.00 (# 4863:20 Single Ambig)
&rst
ixpk= 4863, nxpk= 20, iat= -1, 887, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 889, 890, 877, 878, 879,
&end
#
# 51 LYS HG+ 51 LYS HB+ 4.50 (# 4864:20 Unique 2.22, 2.61 A)
&rst
ixpk= 4864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 892, 893,
igr2= 889, 890,
&end
#
# 51 LYS HG+ 51 LYS HB- 4.50 (# 4865:20 Unique 2.22, 2.61 A)
&rst
ixpk= 4865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 892, 893,
igr2= 889, 890,
&end
#
# 34 ILE QD1 51 LYS HE+ 8.00 (# 4866:20 Unique 1.51, 5.70 A)
&rst
ixpk= 4866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 601, 602, 603,
igr2= 898, 899,
&end
#
# 106 ASP HN 106 ASP HB+ 8.00 (# 4867:20 Unique 2.06, 3.01 A)
&rst
ixpk= 4867, nxpk= 20, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1788,1789,
&end
#
# 0 AMB 20-2:4868 0 AMB 20-1:4868 6.00 (# 4868:20 Double Ambig)
&rst
ixpk= 4868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.74, r4=12.24,
igr1=1761,1762, 296,1057,1058,1057,1058,
igr2=1788,1789,1788,1789,1026,1027,1026,1027,
&end
#
# 0 AMB 22-2:0 0 AMB 22-1:0 4.50 (# 0:22 Double Ambig)
&rst
ixpk= 0, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187, 386, 387, 388, 390, 391, 392,
igr2=1071,1072,1071,1072, 446, 447,
&end
#
# 0 AMB 22-2:1 62 GLU HG- 4.50 (# 1:22 Single Ambig)
&rst
ixpk= 1, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187,
igr2=1071,1072,
&end
#
# 0 AMB 22-2:3 0 AMB 22-1:3 6.00 (# 3:22 Double Ambig)
&rst
ixpk= 3, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187,
igr2=1068,1069,1068,1069,
&end
#
# 0 AMB 22-2:4 66 ILE HG1- 6.00 (# 4:22 Single Ambig)
&rst
ixpk= 4, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=2181,2182,2183,2185,2186,2187,1145,1146,1147,
igr2=1149,1150,
&end
#
# 0 AMB 22-2:5 0 AMB 22-1:5 6.00 (# 5:22 Double Ambig)
&rst
ixpk= 5, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187,
igr2= 966, 967, 966, 967,
&end
#
# 81 LEU MDX 60 MET ME 4.50 (# 7:22 Unique 2.65, 5.53 A)
&rst
ixpk= 7, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1418,1419,1420,1422,1423,1424,
igr2=1047,1048,1049,
&end
#
# 0 AMB 22-2:8 0 AMB 22-1:8 3.50 (# 8:22 Double Ambig)
&rst
ixpk= 8, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
igr2= 931, 932, 931, 932,
&end
#
# 53 LEU HB- 0 AMB 22-1:9 8.00 (# 9:22 Single Ambig)
&rst
ixpk= 9, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 931, 932,
igr2= 527, 528, 527, 528,
&end
#
# 109 LEU MDX 95 ILE HG1+ 6.00 (# 11:22 Unique 2.00, 5.22 A)
&rst
ixpk= 11, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1832,1833,1834,1836,1837,1838,
igr2=1622,1623,
&end
#
# 0 AMB 22-2:12 53 LEU HG 6.00 (# 12:22 Single Ambig)
&rst
ixpk= 12, nxpk= 22, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
&end
#
# 73 LEU MDY 44 LEU MDY 6.00 (# 13:22 Unique 1.28, 5.54 A)
&rst
ixpk= 13, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 73 LEU MDX 44 LEU MDY 8.00 (# 14:22 Unique 1.28, 5.54 A)
&rst
ixpk= 14, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 131 VAL MGY 53 LEU HB- 6.00 (# 15:22 Unique 1.74, 5.08 A)
&rst
ixpk= 15, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2162,2163,2164,2166,2167,2168,
igr2= 931, 932,
&end
#
# 0 AMB 22-2:17 54 VAL MGY 3.50 (# 17:22 Single Ambig)
&rst
ixpk= 17, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1012,1013,1014,1016,1017,1018,2212,2213,2214,2216,
2217,2218,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 22-2:18 54 VAL MGY 4.50 (# 18:22 Single Ambig)
&rst
ixpk= 18, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1088,1089,1090,1092,1093,1094,1012,1013,1014,1016,
1017,1018,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 134 LEU MDY 54 VAL MGY 4.50 (# 19:22 Unique 2.38, 6.02 A)
&rst
ixpk= 19, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2212,2213,2214,2216,2217,2218,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 134 LEU MDY 66 ILE QG2 3.50 (# 21:22 Unique 1.81, 5.29 A)
&rst
ixpk= 21, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2212,2213,2214,2216,2217,2218,
igr2=1145,1146,1147,
&end
#
# 0 AMB 22-2:22 63 LEU MDY 4.50 (# 22:22 Single Ambig)
&rst
ixpk= 22, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1164,1165,1166,2212,2213,2214,2216,2217,2218,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 22-2:23 53 LEU MDY 3.50 (# 23:22 Single Ambig)
&rst
ixpk= 23, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 71 LEU MDX 67 ILE QG2 6.00 (# 24:22 Unique 2.00, 4.70 A)
&rst
ixpk= 24, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1258,1259,1260,1262,1263,1264,
igr2=1164,1165,1166,
&end
#
# 35 ILE QG2 35 ILE QD1 8.00 (# 25:22 Unique 1.96, 3.69 A)
&rst
ixpk= 25, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 613, 614, 615,
igr2= 620, 621, 622,
&end
#
# 67 ILE QG2 35 ILE QD1 6.00 (# 26:22 Unique 2.12, 4.20 A)
&rst
ixpk= 26, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1164,1165,1166,
igr2= 620, 621, 622,
&end
#
# 131 VAL MGY 53 LEU MDX 3.50 (# 27:22 Unique 1.71, 6.09 A)
&rst
ixpk= 27, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2162,2163,2164,2166,2167,2168,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 0 AMB 22-2:28 63 LEU MDY 8.00 (# 28:22 Single Ambig)
&rst
ixpk= 28, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1=2176,2177, 611,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 22-2:29 63 LEU MDY 3.50 (# 29:22 Single Ambig)
&rst
ixpk= 29, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 952, 953, 954, 956, 957, 958,1418,1419,1420,1422,
1423,1424,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 22-2:30 71 LEU MDY 6.00 (# 30:22 Single Ambig)
&rst
ixpk= 30, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 825, 822, 823,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 81 LEU MDY 67 ILE QG2 6.00 (# 31:22 Unique 1.61, 4.71 A)
&rst
ixpk= 31, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1418,1419,1420,1422,1423,1424,
igr2=1164,1165,1166,
&end
#
# 0 AMB 22-2:32 31 ILE QG2 6.00 (# 32:22 Single Ambig)
&rst
ixpk= 32, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.32, r4=11.82,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,1618,1619,1620,
igr2= 545, 546, 547,
&end
#
# 0 AMB 22-2:33 66 ILE QD1 3.50 (# 33:22 Single Ambig)
&rst
ixpk= 33, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2179,1162, 859, 860,
igr2=1152,1153,1154,
&end
#
# 132 LEU MDY 66 ILE QD1 3.50 (# 34:22 Unique 1.56, 4.67 A)
&rst
ixpk= 34, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2181,2182,2183,2185,2186,2187,
igr2=1152,1153,1154,
&end
#
# 0 AMB 22-2:35 67 ILE QD1 4.50 (# 35:22 Single Ambig)
&rst
ixpk= 35, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2181,2182,2183,2185,2186,2187,2162,2163,2164,2166,
2167,2168,
igr2=1171,1172,1173,
&end
#
# 0 AMB 22-2:36 54 VAL MGY 6.00 (# 36:22 Single Ambig)
&rst
ixpk= 36, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1086,1622,1623,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 71 LEU HG 66 ILE QG2 8.00 (# 37:22 Unique 5.68, 7.89 A)
&rst
ixpk= 37, nxpk= 22, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1145,1146,1147,
&end
#
# 0 AMB 22-2:38 44 LEU MDY 6.00 (# 38:22 Single Ambig)
&rst
ixpk= 38, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1= 792, 793, 806,1945,1946, 719, 720,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 22-2:40 54 VAL MGY 6.00 (# 40:22 Single Ambig)
&rst
ixpk= 40, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 543,1616,2210,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 22-2:41 54 VAL MGY 6.00 (# 41:22 Single Ambig)
&rst
ixpk= 41, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2179,1162,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 22-2:42 66 ILE QG2 4.50 (# 42:22 Single Ambig)
&rst
ixpk= 42, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2176,2177,2210,
igr2=1145,1146,1147,
&end
#
# 0 AMB 22-2:43 93 THR MG2 8.00 (# 43:22 Single Ambig)
&rst
ixpk= 43, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.33, r4=14.83,
igr1=1646,1647,1646,1647,1602,1603,1602,1603,1524,1525,
1526,
igr2=1590,1591,1592,
&end
#
# 0 AMB 22-2:44 93 THR MG2 6.00 (# 44:22 Single Ambig)
&rst
ixpk= 44, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1599,1600,1588,
igr2=1590,1591,1592,
&end
#
# 94 PRO HD+ 93 THR MG2 8.00 (# 45:22 Unique 2.25, 4.24 A)
&rst
ixpk= 45, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1599,1600,
igr2=1590,1591,1592,
&end
#
# 0 AMB 22-2:46 98 VAL MGY 6.00 (# 46:22 Single Ambig)
&rst
ixpk= 46, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1614,1675,1713,1714,1713,1714,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 38 TYR HA 112 VAL MGY 6.00 (# 47:22 Unique 2.49, 4.28 A)
&rst
ixpk= 47, nxpk= 22, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1886,1887,1888,1890,1891,1892,
&end
#
# 0 AMB 22-2:48 0 AMB 22-1:48 6.00 (# 48:22 Double Ambig)
&rst
ixpk= 48, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
igr1=1586,1038,1940,1608,
igr2=1563,1564,1565,1567,1568,1569,1536,1537,1538,1540,
1541,1542,1536,1537,1538,1540,1541,1542,
&end
#
# 132 LEU HA 66 ILE QD1 3.50 (# 49:22 Unique 2.29, 3.70 A)
&rst
ixpk= 49, nxpk= 22, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1152,1153,1154,
&end
#
# 0 AMB 22-2:50 23 ILE HB 6.00 (# 50:22 Single Ambig)
&rst
ixpk= 50, nxpk= 22, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2133, 466, 467,
&end
#
# 129 TYR HH 0 AMB 22-1:51 6.00 (# 51:22 Single Ambig)
&rst
ixpk= 51, nxpk= 22, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 565, 566, 274, 275,
&end
#
# 0 AMB 22-2:52 0 AMB 22-1:52 6.00 (# 52:22 Double Ambig)
&rst
ixpk= 52, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=2133, 265, 266,
igr2= 565, 566, 341, 274, 275,
&end
#
# 43 GLN HE2- 44 LEU MDX 6.00 (# 53:22 Unique 1.85, 7.55 A)
&rst
ixpk= 53, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 764, 765,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 129 TYR HE 53 LEU MDX 4.50 (# 55:22 Unique 1.55, 4.79 A)
&rst
ixpk= 55, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2130,2135,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 13 PHE HE 17 VAL MGY 6.00 (# 56:22 Unique 2.03, 6.32 A)
&rst
ixpk= 56, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 228, 232,
igr2= 300, 301, 302, 304, 305, 306,
&end
#
# 26 GLN HE2- 53 LEU MDY 3.50 (# 57:22 Unique 7.23, 9.56 A)
&rst
ixpk= 57, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 466, 467,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 129 TYR HH 20 VAL MGX 8.00 (# 58:22 Unique 3.37, 5.76 A)
&rst
ixpk= 58, nxpk= 22, iat=2133, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 80 PHE HE 78 ALA MB 6.00 (# 59:22 Unique 2.26, 5.70 A)
&rst
ixpk= 59, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1399,1403,
igr2=1363,1364,1365,
&end
#
# 129 TYR HH 23 ILE QG2 4.50 (# 60:22 Unique 2.36, 4.44 A)
&rst
ixpk= 60, nxpk= 22, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 402, 403, 404,
&end
#
# 113 TYR HD 35 ILE QG2 6.00 (# 61:22 Unique 4.47, 7.13 A)
&rst
ixpk= 61, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1904,1913,
igr2= 613, 614, 615,
&end
#
# 79 PHE HD 64 ILE QG2 8.00 (# 62:22 Unique 2.69, 6.36 A)
&rst
ixpk= 62, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1377,1385,
igr2=1104,1105,1106,
&end
#
# 79 PHE HE 64 ILE QG2 8.00 (# 63:22 Unique 1.71, 5.16 A)
&rst
ixpk= 63, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1379,1383,
igr2=1104,1105,1106,
&end
#
# 0 AMB 22-2:64 23 ILE QD1 3.50 (# 64:22 Single Ambig)
&rst
ixpk= 64, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 466, 467,2133,
igr2= 409, 410, 411,
&end
#
# 78 ALA HN 78 ALA MB 6.00 (# 65:22 Unique 2.48, 3.07 A)
&rst
ixpk= 65, nxpk= 22, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1363,1364,1365,
&end
#
# 116 GLN HB- 38 TYR HD 6.00 (# 69:22 Unique 6.18, 9.07 A)
&rst
ixpk= 69, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1942,1943,
igr2= 673, 682,
&end
#
# 0 AMB 22-2:71 60 MET ME 4.50 (# 71:22 Single Ambig)
&rst
ixpk= 71, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1111,1112,1113,1453,1454,1455,1457,1458,1459,1453,
1454,1455,1457,1458,1459,
igr2=1047,1048,1049,
&end
#
# 35 ILE HG1+ 67 ILE QD1 6.00 (# 72:22 Unique 4.38, 6.65 A)
&rst
ixpk= 72, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 617, 618,
igr2=1171,1172,1173,
&end
#
# 0 AMB 22-2:73 0 AMB 22-1:73 3.50 (# 73:22 Double Ambig)
&rst
ixpk= 73, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2181,2182,2183,2185,2186,2187, 578, 579, 580, 582,
583, 584,
igr2=1145,1146,1147, 613, 614, 615,
&end
#
# 132 LEU MDY 66 ILE HG1- 4.50 (# 74:22 Unique 1.96, 5.93 A)
&rst
ixpk= 74, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2181,2182,2183,2185,2186,2187,
igr2=1149,1150,
&end
#
# 0 AMB 22-2:75 0 AMB 22-1:75 4.50 (# 75:22 Double Ambig)
&rst
ixpk= 75, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1904,1913, 265, 266,
igr2= 648, 649, 187, 188,
&end
#
# 0 AMB 22-2:76 63 LEU MDX 6.00 (# 76:22 Single Ambig)
&rst
ixpk= 76, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1=1418,1419,1420,1422,1423,1424, 578, 579, 580, 582,
583, 584, 578, 579, 580, 582, 583, 584,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 22-2:80 35 ILE QD1 8.00 (# 80:22 Single Ambig)
&rst
ixpk= 80, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 915, 923, 654,
igr2= 620, 621, 622,
&end
#
# 0 AMB 22-2:81 88 MET ME 8.00 (# 81:22 Single Ambig)
&rst
ixpk= 81, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1520,1521,1520,1521,
igr2=1524,1525,1526,
&end
#
# 0 AMB 22-2:82 0 AMB 22-1:82 4.50 (# 82:22 Double Ambig)
&rst
ixpk= 82, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
2167,2168,
igr2= 862, 863, 862, 863,
&end
#
# 0 AMB 22-2:83 114 ALA MB 8.00 (# 83:22 Single Ambig)
&rst
ixpk= 83, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1950,1951, 764, 765,
igr2=1921,1922,1923,
&end
#
# 0 AMB 22-2:84 53 LEU MDX 8.00 (# 84:22 Single Ambig)
&rst
ixpk= 84, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1= 562, 563, 911, 912,2051,2052,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 131 VAL HB 53 LEU MDX 8.00 (# 85:22 Unique 3.96, 6.33 A)
&rst
ixpk= 85, nxpk= 22, iat=2160, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 54 VAL HA 53 LEU MDX 6.00 (# 86:22 Unique 4.40, 6.88 A)
&rst
ixpk= 86, nxpk= 22, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 19 ASP HA 53 LEU MDX 6.00 (# 87:22 Unique 7.17, 8.94 A)
&rst
ixpk= 87, nxpk= 22, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 132 LEU HA 53 LEU HB+ 8.00 (# 88:22 Unique 6.88, 8.06 A)
&rst
ixpk= 88, nxpk= 22, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 931, 932,
&end
#
# 0 AMB 22-2:90 0 AMB 22-1:90 8.00 (# 90:22 Double Ambig)
&rst
ixpk= 90, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=2066,2067,2066,2067,
igr2= 898, 899, 898, 899,
&end
#
# 123 GLU HG+ 49 LYS HB+ 8.00 (# 91:22 Unique 1.92, 3.76 A)
&rst
ixpk= 91, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=2054,2055,
igr2= 853, 854,
&end
#
# 0 AMB 22-2:92 54 VAL HB 8.00 (# 92:22 Single Ambig)
&rst
ixpk= 92, nxpk= 22, iat= -1, 950, r1= 1.30, r2= 1.80, r3=12.56, r4=13.06,
igr1=1618,1619,1620, 578, 579, 580, 582, 583, 584, 578,
579, 580, 582, 583, 584,
&end
#
# 0 AMB 22-2:94 54 VAL HB 8.00 (# 94:22 Single Ambig)
&rst
ixpk= 94, nxpk= 22, iat= -1, 950, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1=1625,1626,1627,1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 22-2:95 0 AMB 22-1:95 6.00 (# 95:22 Double Ambig)
&rst
ixpk= 95, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 379, 441,
igr2= 443, 444, 443, 444, 443, 444,
&end
#
# 0 AMB 22-2:96 71 LEU MDX 6.00 (# 96:22 Single Ambig)
&rst
ixpk= 96, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1=1294,1295,1296,1298,1299,1300,1164,1165,1166,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 73 LEU MDY 71 LEU MDX 8.00 (# 97:22 Unique 1.72, 7.10 A)
&rst
ixpk= 97, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 22-2:98 71 LEU MDX 8.00 (# 98:22 Single Ambig)
&rst
ixpk= 98, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.32, r4=16.82,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 22-2:99 71 LEU MDX 8.00 (# 99:22 Single Ambig)
&rst
ixpk= 99, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1232,1233, 617, 618,1292,1162,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 36 GLU HA 71 LEU MDX 8.00 (# 100:22 Unique 5.77, 8.22 A)
&rst
ixpk= 100, nxpk= 22, iat= 628, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 113 TYR HD 71 LEU MDX 8.00 (# 101:22 Unique 3.19, 6.89 A)
&rst
ixpk= 101, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1904,1913,
igr2=1258,1259,1260,1262,1263,1264,
&end
#
# 0 AMB 22-2:102 0 AMB 22-1:102 8.00 (# 102:22 Double Ambig)
&rst
ixpk= 102, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.10, r4=14.60,
igr1= 184, 185, 402, 403, 404,
igr2= 277, 278, 277, 278, 422, 423,
&end
#
# 73 LEU MDY 45 PRO HG+ 8.00 (# 103:22 Unique 1.85, 6.13 A)
&rst
ixpk= 103, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1294,1295,1296,1298,1299,1300,
igr2= 792, 793,
&end
#
# 71 LEU MDY 45 PRO HG- 6.00 (# 104:22 Unique 5.72, 9.66 A)
&rst
ixpk= 104, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1258,1259,1260,1262,1263,1264,
igr2= 792, 793,
&end
#
# 44 LEU MDY 73 LEU MDX 8.00 (# 105:22 Unique 1.28, 5.54 A)
&rst
ixpk= 105, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 71 LEU MDX 73 LEU MDX 8.00 (# 106:22 Unique 1.72, 7.10 A)
&rst
ixpk= 106, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1258,1259,1260,1262,1263,1264,
igr2=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 22-2:107 63 LEU MDX 8.00 (# 107:22 Single Ambig)
&rst
ixpk= 107, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.55, r4=16.05,
igr1=1164,1165,1166,2212,2213,2214,2216,2217,2218,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 22-2:108 63 LEU MDX 8.00 (# 108:22 Single Ambig)
&rst
ixpk= 108, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1=1616,1149,1150,
igr2=1088,1089,1090,1092,1093,1094,
&end
#
# 31 ILE QG2 109 LEU MDX 8.00 (# 109:22 Unique 2.09, 5.51 A)
&rst
ixpk= 109, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1= 545, 546, 547,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 95 ILE QD1 109 LEU MDX 8.00 (# 110:22 Unique 2.19, 5.92 A)
&rst
ixpk= 110, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1=1625,1626,1627,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 22-2:111 109 LEU MDX 8.00 (# 111:22 Single Ambig)
&rst
ixpk= 111, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.32, r4=16.82,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 111 MET ME 109 LEU MDX 8.00 (# 112:22 Unique 2.01, 5.44 A)
&rst
ixpk= 112, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1=1874,1875,1876,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 22-2:113 109 LEU MDX 8.00 (# 113:22 Single Ambig)
&rst
ixpk= 113, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1=1811,1819,1681,1690,
igr2=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 22-2:114 0 AMB 22-1:114 8.00 (# 114:22 Double Ambig)
&rst
ixpk= 114, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=17.46, r4=17.96,
igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
2186,2187,2162,2163,2164,2166,2167,2168,
igr2= 524, 525, 524, 525, 524, 525,
&end
#
# 0 AMB 22-2:115 30 LYS HG- 8.00 (# 115:22 Single Ambig)
&rst
ixpk= 115, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=2212,2213,2214,2216,2217,2218,2162,2163,2164,2166,
2167,2168,2162,2163,2164,2166,2167,2168,
igr2= 524, 525,
&end
#
# 45 PRO HD- 44 LEU MDY 8.00 (# 116:22 Unique 2.84, 5.39 A)
&rst
ixpk= 116, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 789, 790,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 22-2:117 44 LEU MDY 8.00 (# 117:22 Single Ambig)
&rst
ixpk= 117, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1= 789, 790, 804,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 0 AMB 22-2:118 44 LEU MDY 8.00 (# 118:22 Single Ambig)
&rst
ixpk= 118, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1=1377,1385,1397,1405,
igr2= 778, 779, 780, 782, 783, 784,
&end
#
# 38 TYR HD 114 ALA MB 8.00 (# 119:22 Unique 1.65, 4.58 A)
&rst
ixpk= 119, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 673, 682,
igr2=1921,1922,1923,
&end
#
# 80 PHE HE 114 ALA MB 8.00 (# 120:22 Unique 7.38, 9.08 A)
&rst
ixpk= 120, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1399,1403,
igr2=1921,1922,1923,
&end
#
# 113 TYR HD 0 AMB 22-1:121 8.00 (# 121:22 Single Ambig)
&rst
ixpk= 121, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1=1904,1913,
igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 32 PRO HA 53 LEU MDY 8.00 (# 122:22 Unique 1.57, 3.68 A)
&rst
ixpk= 122, nxpk= 22, iat= 568, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 936, 937, 938, 940, 941, 942,
&end
#
# 21 ARG HN 20 VAL MGX 8.00 (# 124:22 Unique 3.21, 4.78 A)
&rst
ixpk= 124, nxpk= 22, iat= 353, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 108 PHE HD 20 VAL MGX 8.00 (# 126:22 Unique 1.62, 5.19 A)
&rst
ixpk= 126, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1811,1819,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 22-2:127 20 VAL MGX 8.00 (# 127:22 Single Ambig)
&rst
ixpk= 127, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.08, r4=16.58,
igr1= 402, 403, 404, 892, 893, 386, 387, 388, 390, 391,
392,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 79 PHE HN 78 ALA MB 8.00 (# 128:22 Unique 2.40, 3.51 A)
&rst
ixpk= 128, nxpk= 22, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1363,1364,1365,
&end
#
# 53 LEU HN 23 ILE QG2 8.00 (# 129:22 Unique 8.54, 9.89 A)
&rst
ixpk= 129, nxpk= 22, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2= 402, 403, 404,
&end
#
# 79 PHE HZ 67 ILE QG2 8.00 (# 130:22 Unique 2.23, 3.78 A)
&rst
ixpk= 130, nxpk= 22, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1164,1165,1166,
&end
#
# 79 PHE HE 67 ILE QG2 8.00 (# 131:22 Unique 2.06, 4.58 A)
&rst
ixpk= 131, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1379,1383,
igr2=1164,1165,1166,
&end
#
# 0 AMB 22-2:132 66 ILE QG2 8.00 (# 132:22 Single Ambig)
&rst
ixpk= 132, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=2222,2191,
igr2=1145,1146,1147,
&end
#
# 52 PHE HD 35 ILE QG2 8.00 (# 133:22 Unique 1.75, 4.69 A)
&rst
ixpk= 133, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 915, 923,
igr2= 613, 614, 615,
&end
#
# 132 LEU HA 66 ILE QG2 8.00 (# 134:22 Unique 4.94, 5.95 A)
&rst
ixpk= 134, nxpk= 22, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1145,1146,1147,
&end
#
# 0 AMB 22-2:135 31 ILE QG2 8.00 (# 135:22 Single Ambig)
&rst
ixpk= 135, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1681,1690,1811,1819,
igr2= 545, 546, 547,
&end
#
# 0 AMB 22-2:136 66 ILE QD1 8.00 (# 136:22 Single Ambig)
&rst
ixpk= 136, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=2191,2222,
igr2=1152,1153,1154,
&end
#
# 52 PHE HD 66 ILE QD1 8.00 (# 137:22 Unique 2.61, 7.83 A)
&rst
ixpk= 137, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 915, 923,
igr2=1152,1153,1154,
&end
#
# 63 LEU HA 66 ILE QD1 8.00 (# 138:22 Unique 2.77, 4.89 A)
&rst
ixpk= 138, nxpk= 22, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr2=1152,1153,1154,
&end
#
# 129 TYR HE 51 LYS HD+ 8.00 (# 140:22 Unique 6.87, 9.72 A)
&rst
ixpk= 140, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=2130,2135,
igr2= 895, 896,
&end
#
# 0 AMB 22-2:141 0 AMB 22-1:141 8.00 (# 141:22 Double Ambig)
&rst
ixpk= 141, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.10, r4=14.60,
igr1=1088,1089,1090,1092,1093,1094,1625,1626,1627,1012,
1013,1014,1016,1017,1018,
igr2=1616, 543,
&end
#
# 0 AMB 22-2:142 0 AMB 22-1:142 8.00 (# 142:22 Double Ambig)
&rst
ixpk= 142, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.94, r4=14.44,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584, 931, 932,
igr2= 543,1616,
&end
#
# 0 AMB 22-2:143 66 ILE HB 8.00 (# 143:22 Single Ambig)
&rst
ixpk= 143, nxpk= 22, iat= -1,1143, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1=1145,1146,1147,2181,2182,2183,2185,2186,2187,
&end
#
# 0 AMB 22-2:144 0 AMB 22-1:144 6.00 (# 144:22 Double Ambig)
&rst
ixpk= 144, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.26, r4=14.76,
igr1=2181,2182,2183,2185,2186,2187,1418,1419,1420,1422,
1423,1424,1104,1105,1106,1618,1619,1620,
igr2= 969, 970,1520,1521,1520,1521,1520,1521, 969, 970,
&end
#
# 0 AMB 22-2:145 0 AMB 22-1:145 6.00 (# 145:22 Double Ambig)
&rst
ixpk= 145, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833, 808, 809, 810, 812, 813, 814,1618,1619,
1620,
igr2= 795, 796,1010,
&end
#
# 95 ILE QG2 55 PRO HB- 8.00 (# 146:22 Unique 7.43, 8.40 A)
&rst
ixpk= 146, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1618,1619,1620,
igr2= 969, 970,
&end
#
# 0 AMB 22-2:149 38 TYR HD 8.00 (# 149:22 Single Ambig)
&rst
ixpk= 149, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 690, 691, 740, 741,
igr2= 673, 682,
&end
#
# 0 AMB 22-2:150 0 AMB 22-1:150 8.00 (# 150:22 Double Ambig)
&rst
ixpk= 150, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
igr1= 11, 12,2077,2078, 911, 912,
igr2= 187, 188, 934,
&end
#
# 0 AMB 22-2:151 11 ARG HG- 8.00 (# 151:22 Single Ambig)
&rst
ixpk= 151, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 327, 206,
igr2= 187, 188,
&end
#
# 0 AMB 22-2:152 0 AMB 22-1:152 6.00 (# 152:22 Double Ambig)
&rst
ixpk= 152, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 859, 860, 859, 860,
igr2= 856, 857, 856, 857,
&end
#
# 80 PHE HD 78 ALA MB 8.00 (# 153:22 Unique 2.65, 6.24 A)
&rst
ixpk= 153, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1397,1405,
igr2=1363,1364,1365,
&end
#
# 0 AMB 22-2:156 46 VAL MGX 8.00 (# 156:22 Single Ambig)
&rst
ixpk= 156, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.10, r4=14.60,
igr1= 795, 796, 825, 8, 9,
igr2= 808, 809, 810, 812, 813, 814,
&end
#
# 28 PRO HB- 29 THR MG2 8.00 (# 157:22 Unique 3.87, 5.65 A)
&rst
ixpk= 157, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 496, 497,
igr2= 509, 510, 511,
&end
#
# 0 AMB 22-2:158 81 LEU MDX 8.00 (# 158:22 Single Ambig)
&rst
ixpk= 158, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1108,1109,1867,1868,1867,1868,
igr2=1418,1419,1420,1422,1423,1424,
&end
#
# 0 AMB 22-2:159 29 THR MG2 8.00 (# 159:22 Single Ambig)
&rst
ixpk= 159, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 493, 494, 493, 494,
igr2= 509, 510, 511,
&end
#
# 0 AMB 22-2:160 83 VAL MGY 8.00 (# 160:22 Single Ambig)
&rst
ixpk= 160, nxpk= 22, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
igr1=1047,1048,1049,1451,1867,1868,
igr2=1453,1454,1455,1457,1458,1459,
&end
#
# 0 AMB 10-2:0 78 ALA HN 3.50 (# 0:10 Single Ambig)
&rst
ixpk= 0, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1344,1931,1932,
&end
#
# 78 ALA HA 78 ALA HN 6.00 (# 1:10 Unique 2.94, 2.96 A)
&rst
ixpk= 1, nxpk= 10, iat=1361,1359, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 ALA MB 78 ALA HN 4.50 (# 2:10 Unique 2.48, 3.07 A)
&rst
ixpk= 2, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1363,1364,1365,
&end
#
# 38 TYR HA 39 LYS HN 4.50 (# 3:10 Unique 2.13, 2.15 A)
&rst
ixpk= 3, nxpk= 10, iat= 667, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 LYS HA 39 LYS HN 6.00 (# 4:10 Unique 2.69, 2.76 A)
&rst
ixpk= 4, nxpk= 10, iat= 688, 686, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 LYS HB- 39 LYS HN 6.00 (# 5:10 Unique 2.08, 3.02 A)
&rst
ixpk= 5, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 690, 691,
&end
#
# 39 LYS HG+ 39 LYS HN 6.00 (# 6:10 Unique 1.93, 3.03 A)
&rst
ixpk= 6, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 693, 694,
&end
#
# 39 LYS HB+ 39 LYS HN 6.00 (# 7:10 Unique 2.08, 3.02 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 690, 691,
&end
#
# 38 TYR HA 38 TYR HN 6.00 (# 8:10 Unique 2.77, 2.79 A)
&rst
ixpk= 8, nxpk= 10, iat= 667, 665, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 TYR HB+ 38 TYR HN 6.00 (# 9:10 Unique 2.24, 3.00 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 669, 670,
&end
#
# 0 AMB 10-2:10 38 TYR HN 3.50 (# 10:10 Single Ambig)
&rst
ixpk= 10, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 643, 669, 670,
&end
#
# 0 AMB 10-2:11 38 TYR HN 6.00 (# 11:10 Single Ambig)
&rst
ixpk= 11, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1900,1901, 719, 720, 722, 723,
&end
#
# 37 ARG HG+ 38 TYR HN 6.00 (# 12:10 Unique 2.42, 3.98 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 648, 649,
&end
#
# 0 AMB 10-2:13 38 TYR HN 6.00 (# 13:10 Single Ambig)
&rst
ixpk= 13, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1921,1922,1923, 645, 646,
&end
#
# 0 AMB 10-2:14 38 TYR HN 6.00 (# 14:10 Single Ambig)
&rst
ixpk= 14, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
&end
#
# 46 VAL HA 47 LEU HN 6.00 (# 15:10 Unique 2.13, 2.19 A)
&rst
ixpk= 15, nxpk= 10, iat= 804, 818, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:16 47 LEU HN 4.50 (# 16:10 Single Ambig)
&rst
ixpk= 16, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 825, 822, 823,
&end
#
# 46 VAL MGX 47 LEU HN 6.00 (# 17:10 Unique 2.55, 4.74 A)
&rst
ixpk= 17, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 808, 809, 810, 812, 813, 814,
&end
#
# 109 LEU HB+ 34 ILE HN 8.00 (# 18:10 Unique 2.98, 4.02 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1827,1828,
&end
#
# 34 ILE HB 34 ILE HN 6.00 (# 19:10 Unique 2.32, 2.65 A)
&rst
ixpk= 19, nxpk= 10, iat= 592, 588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:20 34 ILE HN 6.00 (# 20:10 Single Ambig)
&rst
ixpk= 20, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
&end
#
# 110 TYR HB+ 110 TYR HN 6.00 (# 21:10 Unique 2.05, 2.84 A)
&rst
ixpk= 21, nxpk= 10, iat= -1,1842, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1846,1847,
&end
#
# 110 TYR HB- 110 TYR HN 6.00 (# 22:10 Unique 2.05, 2.84 A)
&rst
ixpk= 22, nxpk= 10, iat= -1,1842, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1846,1847,
&end
#
# 109 LEU MDY 110 TYR HN 6.00 (# 23:10 Unique 1.77, 4.55 A)
&rst
ixpk= 23, nxpk= 10, iat= -1,1842, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1832,1833,1834,1836,1837,1838,
&end
#
# 84 ASN HA 84 ASN HN 3.50 (# 24:10 Unique 2.30, 2.30 A)
&rst
ixpk= 24, nxpk= 10, iat=1465,1463, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:25 80 PHE HN 6.00 (# 25:10 Single Ambig)
&rst
ixpk= 25, nxpk= 10, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1393,1394,1373,1374,
&end
#
# 80 PHE HB- 80 PHE HN 6.00 (# 26:10 Unique 2.28, 3.25 A)
&rst
ixpk= 26, nxpk= 10, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1393,1394,
&end
#
# 82 LEU HB+ 82 LEU HN 6.00 (# 27:10 Unique 2.22, 3.19 A)
&rst
ixpk= 27, nxpk= 10, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1432,1433,
&end
#
# 0 AMB 10-2:28 82 LEU HN 6.00 (# 28:10 Single Ambig)
&rst
ixpk= 28, nxpk= 10, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1435,1413,1414,
&end
#
# 0 AMB 10-2:29 82 LEU HN 6.00 (# 29:10 Single Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=1432,1433,1886,1887,1888,1890,1891,1892,1886,1887,
1888,1890,1891,1892,
&end
#
# 0 AMB 10-2:30 82 LEU HN 6.00 (# 30:10 Single Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
1423,1424,
&end
#
# 0 AMB 10-2:31 82 LEU HN 6.00 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 6 THR HA 7 PHE HN 6.00 (# 32:10 Unique 2.27, 2.57 A)
&rst
ixpk= 32, nxpk= 10, iat= 85, 97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 PHE HB+ 7 PHE HN 6.00 (# 33:10 Unique 2.07, 2.82 A)
&rst
ixpk= 33, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 101, 102,
&end
#
# 0 AMB 10-2:34 88 MET HN 6.00 (# 34:10 Single Ambig)
&rst
ixpk= 34, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1520,1521,1520,1521,
&end
#
# 88 MET HB- 88 MET HN 6.00 (# 35:10 Unique 2.20, 2.91 A)
&rst
ixpk= 35, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1517,1518,
&end
#
# 105 GLU HA 105 GLU HN 6.00 (# 37:10 Unique 2.77, 2.79 A)
&rst
ixpk= 37, nxpk= 10, iat=1771,1769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:38 105 GLU HN 6.00 (# 38:10 Single Ambig)
&rst
ixpk= 38, nxpk= 10, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1776,1777,1776,1777,
&end
#
# 0 AMB 10-2:39 105 GLU HN 4.50 (# 39:10 Single Ambig)
&rst
ixpk= 39, nxpk= 10, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1773,1774,1773,1774,
&end
#
# 33 VAL HB 33 VAL HN 6.00 (# 40:10 Unique 2.66, 2.97 A)
&rst
ixpk= 40, nxpk= 10, iat= 576, 572, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:41 33 VAL HN 4.50 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
&end
#
# 94 PRO HA 95 ILE HN 6.00 (# 42:10 Unique 2.22, 2.33 A)
&rst
ixpk= 42, nxpk= 10, iat=1608,1612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 PRO HB- 95 ILE HN 6.00 (# 43:10 Unique 2.23, 3.27 A)
&rst
ixpk= 43, nxpk= 10, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1605,1606,
&end
#
# 95 ILE HB 95 ILE HN 6.00 (# 44:10 Unique 2.16, 2.37 A)
&rst
ixpk= 44, nxpk= 10, iat=1616,1612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ILE QG2 95 ILE HN 6.00 (# 45:10 Unique 2.16, 3.36 A)
&rst
ixpk= 45, nxpk= 10, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1618,1619,1620,
&end
#
# 75 ALA MB 75 ALA HN 6.00 (# 46:10 Unique 2.47, 2.92 A)
&rst
ixpk= 46, nxpk= 10, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1322,1323,1324,
&end
#
# 0 AMB 10-2:47 36 GLU HN 6.00 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
&end
#
# 35 ILE HG1+ 36 GLU HN 6.00 (# 48:10 Unique 2.56, 3.62 A)
&rst
ixpk= 48, nxpk= 10, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 617, 618,
&end
#
# 103 LYS HA 104 ASP HN 4.50 (# 49:10 Unique 2.14, 2.20 A)
&rst
ixpk= 49, nxpk= 10, iat=1737,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 ASP HB+ 104 ASP HN 6.00 (# 50:10 Unique 2.45, 2.94 A)
&rst
ixpk= 50, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1761,1762,
&end
#
# 104 ASP HB- 104 ASP HN 6.00 (# 51:10 Unique 2.45, 2.94 A)
&rst
ixpk= 51, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1761,1762,
&end
#
# 103 LYS HB+ 104 ASP HN 6.00 (# 52:10 Unique 3.11, 3.99 A)
&rst
ixpk= 52, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1739,1740,
&end
#
# 103 LYS HB- 104 ASP HN 6.00 (# 53:10 Unique 3.11, 3.99 A)
&rst
ixpk= 53, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1739,1740,
&end
#
# 0 AMB 10-2:54 37 ARG HN 6.00 (# 54:10 Single Ambig)
&rst
ixpk= 54, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 643, 651, 652,
&end
#
# 37 ARG HB+ 37 ARG HN 6.00 (# 55:10 Unique 2.07, 2.80 A)
&rst
ixpk= 55, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 645, 646,
&end
#
# 37 ARG HB- 37 ARG HN 6.00 (# 56:10 Unique 2.07, 2.80 A)
&rst
ixpk= 56, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 645, 646,
&end
#
# 0 AMB 10-2:57 37 ARG HN 6.00 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 633, 634, 633, 634,
&end
#
# 58 VAL HA 59 ASN HN 4.50 (# 58:10 Unique 2.14, 2.20 A)
&rst
ixpk= 58, nxpk= 10, iat=1008,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ILE HG1+ 37 ARG HN 4.50 (# 59:10 Unique 4.35, 5.36 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 617, 618,
&end
#
# 0 AMB 10-2:60 83 VAL HN 4.50 (# 60:10 Single Ambig)
&rst
ixpk= 60, nxpk= 10, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 0 AMB 10-2:61 83 VAL HN 4.50 (# 61:10 Single Ambig)
&rst
ixpk= 61, nxpk= 10, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1451,1517,1518,
&end
#
# 0 AMB 10-2:62 4 GLU HN 6.00 (# 62:10 Single Ambig)
&rst
ixpk= 62, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 37, 31,
&end
#
# 0 AMB 10-2:63 4 GLU HN 8.00 (# 63:10 Single Ambig)
&rst
ixpk= 63, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 8, 9, 50, 51,
&end
#
# 0 AMB 10-2:64 4 GLU HN 6.00 (# 64:10 Single Ambig)
&rst
ixpk= 64, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 8, 9, 50, 51,
&end
#
# 0 AMB 10-2:65 36 GLU HN 6.00 (# 65:10 Single Ambig)
&rst
ixpk= 65, nxpk= 10, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 633, 634, 633, 634,
&end
#
# 70 ARG HA 70 ARG HN 6.00 (# 66:10 Unique 2.78, 2.87 A)
&rst
ixpk= 66, nxpk= 10, iat=1227,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 ILE HA 70 ARG HN 6.00 (# 67:10 Unique 3.00, 3.29 A)
&rst
ixpk= 67, nxpk= 10, iat=1160,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:68 70 ARG HN 4.50 (# 68:10 Single Ambig)
&rst
ixpk= 68, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1229,1230,1229,1230,1205,1206,
&end
#
# 0 AMB 10-2:69 70 ARG HN 6.00 (# 69:10 Single Ambig)
&rst
ixpk= 69, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1208,1209,1232,1233,
&end
#
# 13 PHE HA 13 PHE HN 6.00 (# 70:10 Unique 2.64, 2.74 A)
&rst
ixpk= 70, nxpk= 10, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR MG2 13 PHE HN 6.00 (# 71:10 Unique 3.41, 4.09 A)
&rst
ixpk= 71, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 210, 211, 212,
&end
#
# 0 AMB 10-2:72 0 AMB 10-1:72 6.00 (# 72:10 Double Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 952, 953, 954, 956, 957, 958, 549, 550,
igr2= 946,1022,
&end
#
# 31 ILE HB 54 VAL HN 6.00 (# 73:10 Unique 2.75, 3.31 A)
&rst
ixpk= 73, nxpk= 10, iat= 543, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:74 54 VAL HN 3.50 (# 74:10 Single Ambig)
&rst
ixpk= 74, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 931, 932, 952, 953, 954, 956, 957, 958,
&end
#
# 53 LEU MDY 54 VAL HN 6.00 (# 75:10 Unique 2.25, 5.03 A)
&rst
ixpk= 75, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 936, 937, 938, 940, 941, 942,
&end
#
# 62 GLU HA 62 GLU HN 6.00 (# 76:10 Unique 2.80, 2.83 A)
&rst
ixpk= 76, nxpk= 10, iat=1066,1064, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 GLU HB- 62 GLU HN 6.00 (# 78:10 Unique 2.06, 2.54 A)
&rst
ixpk= 78, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1068,1069,
&end
#
# 0 AMB 10-2:79 62 GLU HN 6.00 (# 79:10 Single Ambig)
&rst
ixpk= 79, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1012,1013,1014,1016,1017,1018,1088,1089,1090,1092,
1093,1094,
&end
#
# 97 GLU HA 97 GLU HN 6.00 (# 80:10 Unique 2.77, 2.79 A)
&rst
ixpk= 80, nxpk= 10, iat=1644,1642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:81 97 GLU HN 6.00 (# 81:10 Single Ambig)
&rst
ixpk= 81, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1635,1636,1635,1636,
&end
#
# 0 AMB 10-2:82 97 GLU HN 2.80 (# 82:10 Single Ambig)
&rst
ixpk= 82, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1646,1647,1646,1647,1602,1603,1602,1603,1605,1606,
&end
#
# 93 THR MG2 97 GLU HN 6.00 (# 83:10 Unique 3.46, 5.06 A)
&rst
ixpk= 83, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1590,1591,1592,
&end
#
# 98 VAL MGY 97 GLU HN 6.00 (# 84:10 Unique 4.09, 6.33 A)
&rst
ixpk= 84, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1663,1664,1665,1667,1668,1669,
&end
#
# 97 GLU HG+ 97 GLU HN 6.00 (# 85:10 Unique 4.40, 4.47 A)
&rst
ixpk= 85, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1649,1650,
&end
#
# 31 ILE HB 31 ILE HN 6.00 (# 86:10 Unique 2.38, 2.79 A)
&rst
ixpk= 86, nxpk= 10, iat= 543, 539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HB- 31 ILE HN 6.00 (# 87:10 Unique 2.18, 3.40 A)
&rst
ixpk= 87, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 521, 522,
&end
#
# 0 AMB 10-2:88 31 ILE HN 6.00 (# 88:10 Single Ambig)
&rst
ixpk= 88, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1618,1619,1620, 578, 579, 580, 582, 583, 584, 402,
403, 404,
&end
#
# 31 ILE QG2 31 ILE HN 6.00 (# 89:10 Unique 4.08, 4.73 A)
&rst
ixpk= 89, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 545, 546, 547,
&end
#
# 41 GLU HA 41 GLU HN 6.00 (# 90:10 Unique 2.97, 2.97 A)
&rst
ixpk= 90, nxpk= 10, iat= 717, 715, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:91 41 GLU HN 6.00 (# 91:10 Single Ambig)
&rst
ixpk= 91, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 719, 720, 722, 723,
&end
#
# 41 GLU HB- 41 GLU HN 6.00 (# 92:10 Unique 2.49, 2.94 A)
&rst
ixpk= 92, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 719, 720,
&end
#
# 95 ILE QG2 0 AMB 10-1:93 6.00 (# 93:10 Single Ambig)
&rst
ixpk= 93, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1618,1619,1620,
igr2=1006,1642,
&end
#
# 0 AMB 10-2:94 58 VAL HN 6.00 (# 94:10 Single Ambig)
&rst
ixpk= 94, nxpk= 10, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1008, 978,
&end
#
# 0 AMB 10-2:95 58 VAL HN 4.50 (# 95:10 Single Ambig)
&rst
ixpk= 95, nxpk= 10, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1012,1013,1014,1016,1017,1018,1088,1089,1090,1092,
1093,1094,
&end
#
# 22 LEU HB+ 23 ILE HN 6.00 (# 97:10 Unique 2.88, 3.85 A)
&rst
ixpk= 97, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 381, 382,
&end
#
# 22 LEU HB- 23 ILE HN 6.00 (# 98:10 Unique 2.88, 3.85 A)
&rst
ixpk= 98, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 381, 382,
&end
#
# 22 LEU MDY 23 ILE HN 6.00 (# 99:10 Unique 1.45, 3.61 A)
&rst
ixpk= 99, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 386, 387, 388, 390, 391, 392,
&end
#
# 119 PHE HB+ 119 PHE HN 6.00 (# 100:10 Unique 2.18, 3.19 A)
&rst
ixpk= 100, nxpk= 10, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1988,1989,
&end
#
# 118 THR HA 119 PHE HN 4.50 (# 101:10 Unique 2.14, 2.37 A)
&rst
ixpk= 101, nxpk= 10, iat=1972,1984, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 THR HB 119 PHE HN 6.00 (# 102:10 Unique 1.97, 2.89 A)
&rst
ixpk= 102, nxpk= 10, iat=1974,1984, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 PHE HB- 119 PHE HN 6.00 (# 103:10 Unique 2.18, 3.19 A)
&rst
ixpk= 103, nxpk= 10, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1988,1989,
&end
#
# 118 THR MG2 119 PHE HN 6.00 (# 104:10 Unique 2.82, 4.20 A)
&rst
ixpk= 104, nxpk= 10, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1976,1977,1978,
&end
#
# 80 PHE HA 81 LEU HN 3.50 (# 105:10 Unique 2.13, 2.18 A)
&rst
ixpk= 105, nxpk= 10, iat=1391,1409, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 LEU HB- 81 LEU HN 6.00 (# 106:10 Unique 2.17, 2.87 A)
&rst
ixpk= 106, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1413,1414,
&end
#
# 73 LEU HA 74 ASN HN 4.50 (# 107:10 Unique 2.14, 2.72 A)
&rst
ixpk= 107, nxpk= 10, iat=1287,1304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 ASN HB+ 74 ASN HN 6.00 (# 108:10 Unique 2.06, 3.16 A)
&rst
ixpk= 108, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1308,1309,
&end
#
# 74 ASN HB- 74 ASN HN 6.00 (# 109:10 Unique 2.06, 3.16 A)
&rst
ixpk= 109, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1308,1309,
&end
#
# 73 LEU HB- 74 ASN HN 6.00 (# 110:10 Unique 2.09, 3.69 A)
&rst
ixpk= 110, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1289,1290,
&end
#
# 73 LEU MDY 74 ASN HN 6.00 (# 111:10 Unique 3.48, 5.67 A)
&rst
ixpk= 111, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 24 ARG HB+ 24 ARG HN 6.00 (# 112:10 Unique 2.19, 2.88 A)
&rst
ixpk= 112, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 419, 420,
&end
#
# 0 AMB 10-2:113 24 ARG HN 6.00 (# 113:10 Single Ambig)
&rst
ixpk= 113, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 419, 420, 422, 423,
&end
#
# 23 ILE QG2 24 ARG HN 6.00 (# 114:10 Unique 2.04, 2.78 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 402, 403, 404,
&end
#
# 5 LYS HA 5 LYS HN 6.00 (# 115:10 Unique 2.81, 2.87 A)
&rst
ixpk= 115, nxpk= 10, iat= 63, 61, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 GLU HA 5 LYS HN 6.00 (# 116:10 Unique 2.47, 2.80 A)
&rst
ixpk= 116, nxpk= 10, iat= 48, 61, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:117 5 LYS HN 4.50 (# 117:10 Single Ambig)
&rst
ixpk= 117, nxpk= 10, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 65, 66, 65, 66,
&end
#
# 0 AMB 10-2:118 5 LYS HN 6.00 (# 118:10 Single Ambig)
&rst
ixpk= 118, nxpk= 10, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 68, 69, 71, 72,
&end
#
# 0 AMB 10-2:119 98 VAL HN 6.00 (# 119:10 Single Ambig)
&rst
ixpk= 119, nxpk= 10, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1614,1633,1713,1714,1713,1714,1635,1636,1635,1636,
&end
#
# 98 VAL HA 98 VAL HN 6.00 (# 120:10 Unique 2.76, 2.81 A)
&rst
ixpk= 120, nxpk= 10, iat=1659,1657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:121 98 VAL HN 3.50 (# 121:10 Single Ambig)
&rst
ixpk= 121, nxpk= 10, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1646,1647,1661,
&end
#
# 93 THR MG2 98 VAL HN 6.00 (# 122:10 Unique 3.85, 4.56 A)
&rst
ixpk= 122, nxpk= 10, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1590,1591,1592,
&end
#
# 98 VAL MGY 98 VAL HN 3.50 (# 123:10 Unique 1.86, 3.73 A)
&rst
ixpk= 123, nxpk= 10, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1663,1664,1665,1667,1668,1669,
&end
#
# 97 GLU HA 98 VAL HN 6.00 (# 124:10 Unique 3.53, 3.55 A)
&rst
ixpk= 124, nxpk= 10, iat=1644,1657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:125 0 AMB 10-1:125 6.00 (# 125:10 Double Ambig)
&rst
ixpk= 125, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 950,1143,1121,1122,1205,1206,1102,
igr2= 976,1158,
&end
#
# 67 ILE HA 67 ILE HN 6.00 (# 126:10 Unique 2.83, 2.86 A)
&rst
ixpk= 126, nxpk= 10, iat=1160,1158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:127 0 AMB 10-1:127 6.00 (# 127:10 Double Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1149,1150, 543,
igr2=1158, 976,
&end
#
# 0 AMB 10-2:128 0 AMB 10-1:128 4.50 (# 128:10 Double Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1162, 527, 528, 527, 528,
igr2=1158, 976,
&end
#
# 67 ILE HG1- 67 ILE HN 6.00 (# 129:10 Unique 2.20, 3.77 A)
&rst
ixpk= 129, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1168,1169,
&end
#
# 0 AMB 10-2:130 0 AMB 10-1:130 6.00 (# 130:10 Double Ambig)
&rst
ixpk= 130, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 952, 953, 954, 956, 957, 958,1149,1150,1168,1169,
igr2= 976,1158,
&end
#
# 66 ILE QG2 67 ILE HN 6.00 (# 131:10 Unique 1.91, 2.86 A)
&rst
ixpk= 131, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1145,1146,1147,
&end
#
# 67 ILE QG2 67 ILE HN 6.00 (# 132:10 Unique 2.49, 4.05 A)
&rst
ixpk= 132, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1164,1165,1166,
&end
#
# 0 AMB 10-2:133 0 AMB 10-1:133 6.00 (# 133:10 Double Ambig)
&rst
ixpk= 133, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1171,1172,1173, 552, 553, 554,
igr2=1158, 976,
&end
#
# 43 GLN HG+ 44 LEU HN 6.00 (# 134:10 Unique 1.83, 3.81 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 759, 760,
&end
#
# 43 GLN HB+ 44 LEU HN 6.00 (# 135:10 Unique 1.88, 2.72 A)
&rst
ixpk= 135, nxpk= 10, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 756, 757,
&end
#
# 44 LEU HG 44 LEU HN 6.00 (# 136:10 Unique 1.79, 2.05 A)
&rst
ixpk= 136, nxpk= 10, iat= 776, 769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:137 44 LEU HN 6.00 (# 137:10 Single Ambig)
&rst
ixpk= 137, nxpk= 10, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 773, 774, 645, 646,
&end
#
# 44 LEU MDY 44 LEU HN 6.00 (# 138:10 Unique 1.82, 4.09 A)
&rst
ixpk= 138, nxpk= 10, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 55 PRO HA 56 ASP HN 4.50 (# 139:10 Unique 2.67, 2.78 A)
&rst
ixpk= 139, nxpk= 10, iat= 972, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ASP HA 56 ASP HN 6.00 (# 140:10 Unique 2.32, 2.35 A)
&rst
ixpk= 140, nxpk= 10, iat= 978, 976, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 ASP HB+ 56 ASP HN 6.00 (# 141:10 Unique 2.66, 3.16 A)
&rst
ixpk= 141, nxpk= 10, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 980, 981,
&end
#
# 56 ASP HB- 56 ASP HN 6.00 (# 142:10 Unique 2.66, 3.16 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 980, 981,
&end
#
# 55 PRO HB+ 56 ASP HN 6.00 (# 143:10 Unique 4.34, 4.53 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 969, 970,
&end
#
# 60 MET HA 63 LEU HN 6.00 (# 144:10 Unique 3.21, 3.88 A)
&rst
ixpk= 144, nxpk= 10, iat=1038,1079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:145 63 LEU HN 6.00 (# 145:10 Single Ambig)
&rst
ixpk= 145, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1081,1066,
&end
#
# 62 GLU HB+ 63 LEU HN 6.00 (# 146:10 Unique 1.85, 2.76 A)
&rst
ixpk= 146, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1068,1069,
&end
#
# 63 LEU HB+ 63 LEU HN 6.00 (# 147:10 Unique 2.05, 3.00 A)
&rst
ixpk= 147, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1083,1084,
&end
#
# 62 GLU HB- 63 LEU HN 6.00 (# 148:10 Unique 1.85, 2.76 A)
&rst
ixpk= 148, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1068,1069,
&end
#
# 63 LEU HB- 63 LEU HN 4.50 (# 149:10 Unique 2.05, 3.00 A)
&rst
ixpk= 149, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1083,1084,
&end
#
# 89 VAL HA 89 VAL HN 6.00 (# 151:10 Unique 2.77, 2.79 A)
&rst
ixpk= 151, nxpk= 10, iat=1532,1530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:152 89 VAL HN 4.50 (# 152:10 Single Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1534,1524,1525,1526,1517,1518,
&end
#
# 0 AMB 10-2:153 89 VAL HN 6.00 (# 153:10 Single Ambig)
&rst
ixpk= 153, nxpk= 10, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1517,1518,1040,1041,
&end
#
# 0 AMB 10-2:154 89 VAL HN 4.50 (# 154:10 Single Ambig)
&rst
ixpk= 154, nxpk= 10, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 19 ASP HA 19 ASP HN 6.00 (# 155:10 Unique 2.73, 2.77 A)
&rst
ixpk= 155, nxpk= 10, iat= 327, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:156 19 ASP HN 6.00 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 329, 330, 329, 330,
&end
#
# 0 AMB 10-2:157 112 VAL HN 4.50 (# 157:10 Single Ambig)
&rst
ixpk= 157, nxpk= 10, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1867,1868,1867,1868,1884,
&end
#
# 0 AMB 10-2:158 112 VAL HN 4.50 (# 158:10 Single Ambig)
&rst
ixpk= 158, nxpk= 10, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
&end
#
# 47 LEU HA 48 ASP HN 4.50 (# 159:10 Unique 2.16, 2.69 A)
&rst
ixpk= 159, nxpk= 10, iat= 820, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ASP HB- 48 ASP HN 6.00 (# 160:10 Unique 2.25, 3.24 A)
&rst
ixpk= 160, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 841, 842,
&end
#
# 0 AMB 10-2:161 48 ASP HN 6.00 (# 161:10 Single Ambig)
&rst
ixpk= 161, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 822, 823, 825,
&end
#
# 0 AMB 10-2:162 48 ASP HN 6.00 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
&end
#
# 77 GLN HA 77 GLN HN 6.00 (# 163:10 Unique 2.78, 2.83 A)
&rst
ixpk= 163, nxpk= 10, iat=1344,1342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 GLN HB- 77 GLN HN 6.00 (# 164:10 Unique 2.07, 2.61 A)
&rst
ixpk= 164, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1346,1347,
&end
#
# 52 PHE HB- 53 LEU HN 6.00 (# 165:10 Unique 2.33, 3.62 A)
&rst
ixpk= 165, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 911, 912,
&end
#
# 53 LEU HB+ 53 LEU HN 6.00 (# 166:10 Unique 2.32, 3.10 A)
&rst
ixpk= 166, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 931, 932,
&end
#
# 0 AMB 10-2:167 53 LEU HN 6.00 (# 167:10 Single Ambig)
&rst
ixpk= 167, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 931, 932,2181,2182,2183,2185,2186,2187,
&end
#
# 0 AMB 10-2:168 0 AMB 10-1:168 6.00 (# 168:10 Double Ambig)
&rst
ixpk= 168, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1081,1550,1551,
igr2=1139,1557,
&end
#
# 0 AMB 10-2:169 0 AMB 10-1:169 6.00 (# 169:10 Double Ambig)
&rst
ixpk= 169, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1561,1071,1072,1040,1041,
igr2=1557,1139,
&end
#
# 0 AMB 10-2:170 0 AMB 10-1:170 4.50 (# 170:10 Double Ambig)
&rst
ixpk= 170, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1149,1150,1563,1564,1565,1567,1568,1569,
igr2=1139,1557,
&end
#
# 66 ILE QG2 66 ILE HN 6.00 (# 171:10 Unique 1.71, 2.96 A)
&rst
ixpk= 171, nxpk= 10, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1145,1146,1147,
&end
#
# 0 AMB 10-2:172 109 LEU HN 6.00 (# 172:10 Single Ambig)
&rst
ixpk= 172, nxpk= 10, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1827,1828, 565, 566,
&end
#
# 0 AMB 10-2:173 109 LEU HN 6.00 (# 173:10 Single Ambig)
&rst
ixpk= 173, nxpk= 10, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1827,1828,1830,
&end
#
# 0 AMB 10-2:174 109 LEU HN 6.00 (# 174:10 Single Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,1832,1833,1834,1836,1837,1838,
&end
#
# 44 LEU MDX 114 ALA HN 6.00 (# 175:10 Unique 3.02, 5.47 A)
&rst
ixpk= 175, nxpk= 10, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 113 TYR HB+ 114 ALA HN 6.00 (# 176:10 Unique 2.52, 3.85 A)
&rst
ixpk= 176, nxpk= 10, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1900,1901,
&end
#
# 0 AMB 10-2:177 114 ALA HN 6.00 (# 177:10 Single Ambig)
&rst
ixpk= 177, nxpk= 10, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1900,1901,1393,1394,
&end
#
# 0 AMB 10-2:178 114 ALA HN 6.00 (# 178:10 Single Ambig)
&rst
ixpk= 178, nxpk= 10, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1921,1922,1923,1432,1433,1416,
&end
#
# 0 AMB 10-2:179 111 MET HN 6.00 (# 179:10 Single Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1870,1871,1870,1871,
&end
#
# 0 AMB 10-2:180 111 MET HN 6.00 (# 180:10 Single Ambig)
&rst
ixpk= 180, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1867,1868,1867,1868,
&end
#
# 18 GLU HA 21 ARG HN 6.00 (# 181:10 Unique 3.33, 3.41 A)
&rst
ixpk= 181, nxpk= 10, iat= 312, 353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 ARG HA 21 ARG HN 6.00 (# 182:10 Unique 2.83, 2.89 A)
&rst
ixpk= 182, nxpk= 10, iat= 355, 353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:183 21 ARG HN 6.00 (# 183:10 Single Ambig)
&rst
ixpk= 183, nxpk= 10, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 339, 329, 330, 329, 330, 363, 364,
&end
#
# 18 GLU HA 18 GLU HN 6.00 (# 184:10 Unique 2.75, 2.78 A)
&rst
ixpk= 184, nxpk= 10, iat= 312, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:185 18 GLU HN 6.00 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 317, 318, 317, 318,
&end
#
# 0 AMB 10-2:186 18 GLU HN 3.50 (# 186:10 Single Ambig)
&rst
ixpk= 186, nxpk= 10, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 314, 315, 314, 315,
&end
#
# 17 VAL HB 18 GLU HN 6.00 (# 187:10 Unique 2.32, 2.43 A)
&rst
ixpk= 187, nxpk= 10, iat= 298, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 VAL MGX 18 GLU HN 6.00 (# 188:10 Unique 2.49, 4.22 A)
&rst
ixpk= 188, nxpk= 10, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 17 VAL MGY 18 GLU HN 8.00 (# 189:10 Unique 2.49, 4.22 A)
&rst
ixpk= 189, nxpk= 10, iat= -1, 310, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 43 GLN HA 43 GLN HN 6.00 (# 190:10 Unique 2.67, 2.84 A)
&rst
ixpk= 190, nxpk= 10, iat= 754, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:191 43 GLN HN 6.00 (# 191:10 Single Ambig)
&rst
ixpk= 191, nxpk= 10, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 759, 760, 722, 723,
&end
#
# 43 GLN HB- 43 GLN HN 4.50 (# 192:10 Unique 2.29, 3.07 A)
&rst
ixpk= 192, nxpk= 10, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 756, 757,
&end
#
# 112 VAL HB 113 TYR HN 6.00 (# 193:10 Unique 2.80, 3.02 A)
&rst
ixpk= 193, nxpk= 10, iat=1884,1896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 ARG HA 113 TYR HN 6.00 (# 194:10 Unique 1.92, 2.53 A)
&rst
ixpk= 194, nxpk= 10, iat= 643,1896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:195 113 TYR HN 6.00 (# 195:10 Single Ambig)
&rst
ixpk= 195, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
&end
#
# 79 PHE HA 79 PHE HN 6.00 (# 196:10 Unique 2.88, 2.93 A)
&rst
ixpk= 196, nxpk= 10, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 ALA HA 79 PHE HN 3.50 (# 197:10 Unique 2.15, 2.30 A)
&rst
ixpk= 197, nxpk= 10, iat=1361,1369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:198 79 PHE HN 6.00 (# 198:10 Single Ambig)
&rst
ixpk= 198, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1187,1188,1373,1374,
&end
#
# 79 PHE HB- 79 PHE HN 6.00 (# 199:10 Unique 2.39, 3.19 A)
&rst
ixpk= 199, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1373,1374,
&end
#
# 78 ALA MB 79 PHE HN 6.00 (# 200:10 Unique 2.40, 3.51 A)
&rst
ixpk= 200, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1363,1364,1365,
&end
#
# 93 THR HB 93 THR HN 4.50 (# 201:10 Unique 2.25, 2.82 A)
&rst
ixpk= 201, nxpk= 10, iat=1588,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:202 93 THR HN 6.00 (# 202:10 Single Ambig)
&rst
ixpk= 202, nxpk= 10, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1040,1041,1561,
&end
#
# 93 THR MG2 93 THR HN 6.00 (# 203:10 Unique 2.36, 3.81 A)
&rst
ixpk= 203, nxpk= 10, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1590,1591,1592,
&end
#
# 0 AMB 10-2:204 93 THR HN 4.50 (# 204:10 Single Ambig)
&rst
ixpk= 204, nxpk= 10, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,
&end
#
# 93 THR HA 93 THR HN 6.00 (# 205:10 Unique 2.87, 2.94 A)
&rst
ixpk= 205, nxpk= 10, iat=1586,1584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 VAL HA 99 TYR HN 6.00 (# 206:10 Unique 3.48, 3.53 A)
&rst
ixpk= 206, nxpk= 10, iat=1659,1673, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU MDX 99 TYR HN 6.00 (# 207:10 Unique 2.48, 4.81 A)
&rst
ixpk= 207, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 10-2:208 99 TYR HN 6.00 (# 208:10 Single Ambig)
&rst
ixpk= 208, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1=1675,1633,1614,1713,1714,1713,1714,
&end
#
# 99 TYR HB+ 99 TYR HN 6.00 (# 209:10 Unique 2.07, 2.56 A)
&rst
ixpk= 209, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1677,1678,
&end
#
# 99 TYR HB- 99 TYR HN 4.50 (# 210:10 Unique 2.07, 2.56 A)
&rst
ixpk= 210, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1677,1678,
&end
#
# 0 AMB 10-2:211 99 TYR HN 6.00 (# 211:10 Single Ambig)
&rst
ixpk= 211, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1661,1698,1699,
&end
#
# 98 VAL MGX 99 TYR HN 6.00 (# 212:10 Unique 3.26, 4.53 A)
&rst
ixpk= 212, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1663,1664,1665,1667,1668,1669,
&end
#
# 0 AMB 10-2:213 20 VAL HN 6.00 (# 213:10 Single Ambig)
&rst
ixpk= 213, nxpk= 10, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 329, 330, 329, 330, 339,
&end
#
# 20 VAL HB 20 VAL HN 6.00 (# 214:10 Unique 2.29, 2.39 A)
&rst
ixpk= 214, nxpk= 10, iat= 341, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 VAL MGX 20 VAL HN 6.00 (# 215:10 Unique 2.09, 3.89 A)
&rst
ixpk= 215, nxpk= 10, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 10-2:216 106 ASP HN 6.00 (# 216:10 Single Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1786,1771,
&end
#
# 68 ARG HA 68 ARG HN 6.00 (# 217:10 Unique 2.76, 2.82 A)
&rst
ixpk= 217, nxpk= 10, iat=1179,1177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:218 0 AMB 10-1:218 6.00 (# 218:10 Double Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1184,1185,1168,1169,1124,1125,
igr2=1177,1098,
&end
#
# 64 ILE HA 0 AMB 10-1:219 6.00 (# 219:10 Single Ambig)
&rst
ixpk= 219, nxpk= 10, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1098,1177,
&end
#
# 0 AMB 10-2:220 64 ILE HN 3.50 (# 220:10 Single Ambig)
&rst
ixpk= 220, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1108,1109,1102,1047,1048,1049,
&end
#
# 64 ILE QD1 64 ILE HN 4.50 (# 221:10 Unique 2.67, 4.21 A)
&rst
ixpk= 221, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1111,1112,1113,
&end
#
# 0 AMB 10-2:222 0 AMB 10-1:222 6.00 (# 222:10 Double Ambig)
&rst
ixpk= 222, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1145,1146,1147,1012,1013,1014,1016,1017,1018,
igr2=1098,1177,
&end
#
# 63 LEU MDY 64 ILE HN 6.00 (# 223:10 Unique 2.07, 4.24 A)
&rst
ixpk= 223, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1088,1089,1090,1092,1093,1094,
&end
#
# 63 LEU HB+ 64 ILE HN 6.00 (# 224:10 Unique 2.31, 3.58 A)
&rst
ixpk= 224, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1083,1084,
&end
#
# 15 GLN HB+ 15 GLN HN 6.00 (# 225:10 Unique 2.29, 2.96 A)
&rst
ixpk= 225, nxpk= 10, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 257, 258,
&end
#
# 0 AMB 10-2:226 0 AMB 10-1:226 6.00 (# 226:10 Double Ambig)
&rst
ixpk= 226, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1119, 22, 23,
igr2=1117, 849,
&end
#
# 0 AMB 10-2:227 65 LYS HN 6.00 (# 227:10 Single Ambig)
&rst
ixpk= 227, nxpk= 10, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1066,1081,
&end
#
# 22 LEU HA 22 LEU HN 6.00 (# 228:10 Unique 2.78, 2.81 A)
&rst
ixpk= 228, nxpk= 10, iat= 379, 377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 LEU HB+ 22 LEU HN 3.50 (# 229:10 Unique 2.23, 3.11 A)
&rst
ixpk= 229, nxpk= 10, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 381, 382,
&end
#
# 22 LEU HG 22 LEU HN 4.50 (# 230:10 Unique 1.88, 3.02 A)
&rst
ixpk= 230, nxpk= 10, iat= 384, 377, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 LEU HB- 22 LEU HN 6.00 (# 231:10 Unique 2.23, 3.11 A)
&rst
ixpk= 231, nxpk= 10, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 381, 382,
&end
#
# 23 ILE QG2 22 LEU HN 6.00 (# 232:10 Unique 4.39, 5.60 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 402, 403, 404,
&end
#
# 116 GLN HA 117 GLU HN 3.50 (# 233:10 Unique 2.18, 2.47 A)
&rst
ixpk= 233, nxpk= 10, iat=1940,1955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 GLU HA 117 GLU HN 6.00 (# 234:10 Unique 2.77, 2.91 A)
&rst
ixpk= 234, nxpk= 10, iat=1957,1955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 GLN HB+ 117 GLU HN 6.00 (# 235:10 Unique 2.04, 2.99 A)
&rst
ixpk= 235, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1942,1943,
&end
#
# 116 GLN HB- 117 GLU HN 6.00 (# 236:10 Unique 2.04, 2.99 A)
&rst
ixpk= 236, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1942,1943,
&end
#
# 117 GLU HG- 117 GLU HN 6.00 (# 237:10 Unique 2.25, 3.65 A)
&rst
ixpk= 237, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1962,1963,
&end
#
# 117 GLU HB+ 117 GLU HN 6.00 (# 238:10 Unique 2.17, 2.95 A)
&rst
ixpk= 238, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1959,1960,
&end
#
# 117 GLU HB- 117 GLU HN 4.50 (# 239:10 Unique 2.17, 2.95 A)
&rst
ixpk= 239, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1959,1960,
&end
#
# 103 LYS HD+ 103 LYS HN 4.50 (# 240:10 Unique 4.29, 5.08 A)
&rst
ixpk= 240, nxpk= 10, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1745,1746,
&end
#
# 103 LYS HA 103 LYS HN 6.00 (# 241:10 Unique 2.76, 2.79 A)
&rst
ixpk= 241, nxpk= 10, iat=1737,1735, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 LYS HB+ 103 LYS HN 6.00 (# 242:10 Unique 2.05, 2.56 A)
&rst
ixpk= 242, nxpk= 10, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1739,1740,
&end
#
# 103 LYS HB- 103 LYS HN 6.00 (# 243:10 Unique 2.05, 2.56 A)
&rst
ixpk= 243, nxpk= 10, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1739,1740,
&end
#
# 49 LYS HA 49 LYS HN 6.00 (# 244:10 Unique 2.79, 2.85 A)
&rst
ixpk= 244, nxpk= 10, iat= 851, 849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 ASP HA 49 LYS HN 6.00 (# 245:10 Unique 2.16, 2.67 A)
&rst
ixpk= 245, nxpk= 10, iat= 839, 849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:246 49 LYS HN 4.50 (# 246:10 Single Ambig)
&rst
ixpk= 246, nxpk= 10, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 822, 823,2054,2055, 825, 8, 9,
&end
#
# 0 AMB 10-2:247 0 AMB 10-1:247 6.00 (# 247:10 Double Ambig)
&rst
ixpk= 247, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 856, 857, 856, 857,1083,1084,
igr2= 849,1117,
&end
#
# 0 AMB 10-2:248 87 SER HN 6.00 (# 248:10 Single Ambig)
&rst
ixpk= 248, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1506,1507,1506,1507,
&end
#
# 17 VAL MGY 17 VAL HN 6.00 (# 249:10 Unique 2.16, 3.89 A)
&rst
ixpk= 249, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 45 PRO HB+ 46 VAL HN 6.00 (# 250:10 Unique 2.07, 3.36 A)
&rst
ixpk= 250, nxpk= 10, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 795, 796,
&end
#
# 0 AMB 10-2:251 46 VAL HN 4.50 (# 251:10 Single Ambig)
&rst
ixpk= 251, nxpk= 10, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 806, 792, 793,
&end
#
# 46 VAL MGX 46 VAL HN 4.50 (# 252:10 Unique 1.70, 3.57 A)
&rst
ixpk= 252, nxpk= 10, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 808, 809, 810, 812, 813, 814,
&end
#
# 30 LYS HB+ 30 LYS HN 6.00 (# 253:10 Unique 2.45, 3.06 A)
&rst
ixpk= 253, nxpk= 10, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 521, 522,
&end
#
# 29 THR MG2 30 LYS HN 6.00 (# 254:10 Unique 4.87, 5.37 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 509, 510, 511,
&end
#
# 25 GLU HA 25 GLU HN 4.50 (# 255:10 Unique 2.78, 2.88 A)
&rst
ixpk= 255, nxpk= 10, iat= 441, 439, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:256 25 GLU HN 6.00 (# 256:10 Single Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 461, 462, 446, 447,
&end
#
# 0 AMB 10-2:257 25 GLU HN 3.50 (# 257:10 Single Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 443, 444, 443, 444,
&end
#
# 24 ARG HB- 25 GLU HN 6.00 (# 258:10 Unique 2.60, 3.31 A)
&rst
ixpk= 258, nxpk= 10, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 419, 420,
&end
#
# 85 GLY HA+ 86 HIS HN 6.00 (# 259:10 Unique 2.90, 3.22 A)
&rst
ixpk= 259, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1479,1480,
&end
#
# 86 HIS HB+ 86 HIS HN 6.00 (# 260:10 Unique 2.64, 3.35 A)
&rst
ixpk= 260, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1488,1489,
&end
#
# 0 AMB 10-2:261 86 HIS HN 6.00 (# 261:10 Single Ambig)
&rst
ixpk= 261, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1488,1489,1467,1468,
&end
#
# 0 AMB 10-2:262 86 HIS HN 6.00 (# 262:10 Single Ambig)
&rst
ixpk= 262, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1432,1433,1886,1887,1888,1890,1891,1892,
&end
#
# 0 AMB 10-2:263 86 HIS HN 6.00 (# 263:10 Single Ambig)
&rst
ixpk= 263, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 10-2:264 71 LEU HN 6.00 (# 264:10 Single Ambig)
&rst
ixpk= 264, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1251,1227,
&end
#
# 0 AMB 10-2:265 71 LEU HN 6.00 (# 265:10 Single Ambig)
&rst
ixpk= 265, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1229,1230,1229,1230,
&end
#
# 71 LEU HB+ 71 LEU HN 4.50 (# 266:10 Unique 2.24, 3.10 A)
&rst
ixpk= 266, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1253,1254,
&end
#
# 0 AMB 10-2:267 71 LEU HN 4.50 (# 267:10 Single Ambig)
&rst
ixpk= 267, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1256,1253,1254,
&end
#
# 0 AMB 10-2:268 71 LEU HN 6.00 (# 268:10 Single Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1258,1259,1260,1262,1263,1264,1294,1295,1296,1298,
1299,1300,
&end
#
# 0 AMB 10-2:269 71 LEU HN 8.00 (# 269:10 Single Ambig)
&rst
ixpk= 269, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1=1164,1165,1166,1294,1295,1296,1298,1299,1300,
&end
#
# 71 LEU MDX 71 LEU HN 6.00 (# 270:10 Unique 2.46, 4.26 A)
&rst
ixpk= 270, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1258,1259,1260,1262,1263,1264,
&end
#
# 94 PRO HB+ 96 SER HN 6.00 (# 271:10 Unique 2.09, 3.10 A)
&rst
ixpk= 271, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1605,1606,
&end
#
# 0 AMB 10-2:272 96 SER HN 3.50 (# 272:10 Single Ambig)
&rst
ixpk= 272, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1635,1636,1635,1636,1633,
&end
#
# 0 AMB 10-2:273 96 SER HN 6.00 (# 273:10 Single Ambig)
&rst
ixpk= 273, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1605,1606,1602,1603,
&end
#
# 95 ILE QG2 96 SER HN 6.00 (# 274:10 Unique 2.45, 3.34 A)
&rst
ixpk= 274, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1618,1619,1620,
&end
#
# 0 AMB 10-2:275 60 MET HN 6.00 (# 275:10 Single Ambig)
&rst
ixpk= 275, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1038,1608,
&end
#
# 60 MET HG+ 60 MET HN 4.50 (# 276:10 Unique 1.92, 3.05 A)
&rst
ixpk= 276, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1043,1044,
&end
#
# 60 MET HB+ 60 MET HN 6.00 (# 278:10 Unique 2.07, 2.98 A)
&rst
ixpk= 278, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1040,1041,
&end
#
# 60 MET HB- 60 MET HN 6.00 (# 279:10 Unique 2.07, 2.98 A)
&rst
ixpk= 279, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1040,1041,
&end
#
# 69 ARG HB+ 69 ARG HN 4.50 (# 280:10 Unique 2.10, 2.67 A)
&rst
ixpk= 280, nxpk= 10, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1205,1206,
&end
#
# 69 ARG HG+ 69 ARG HN 6.00 (# 281:10 Unique 2.59, 4.18 A)
&rst
ixpk= 281, nxpk= 10, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1208,1209,
&end
#
# 0 AMB 10-2:282 69 ARG HN 6.00 (# 282:10 Single Ambig)
&rst
ixpk= 282, nxpk= 10, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1181,1182,1181,1182,1208,1209,
&end
#
# 0 AMB 10-2:283 102 GLU HN 6.00 (# 283:10 Single Ambig)
&rst
ixpk= 283, nxpk= 10, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1713,1714,1713,1714,1675,
&end
#
# 102 GLU HG+ 102 GLU HN 6.00 (# 284:10 Unique 2.39, 3.57 A)
&rst
ixpk= 284, nxpk= 10, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1727,1728,
&end
#
# 0 AMB 10-2:285 102 GLU HN 6.00 (# 285:10 Single Ambig)
&rst
ixpk= 285, nxpk= 10, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1724,1725,1727,1728,
&end
#
# 102 GLU HB- 102 GLU HN 6.00 (# 286:10 Unique 2.36, 3.15 A)
&rst
ixpk= 286, nxpk= 10, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1724,1725,
&end
#
# 0 AMB 10-2:287 102 GLU HN 6.00 (# 287:10 Single Ambig)
&rst
ixpk= 287, nxpk= 10, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1663,1664,1665,1667,1668,1669,1453,1454,1455,1457,
1458,1459,
&end
#
# 26 GLN HA 26 GLN HN 6.00 (# 288:10 Unique 2.81, 2.91 A)
&rst
ixpk= 288, nxpk= 10, iat= 456, 454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 GLN HG+ 26 GLN HN 6.00 (# 289:10 Unique 1.86, 2.73 A)
&rst
ixpk= 289, nxpk= 10, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 461, 462,
&end
#
# 0 AMB 10-2:290 26 GLN HN 4.50 (# 290:10 Single Ambig)
&rst
ixpk= 290, nxpk= 10, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 461, 462, 443, 444, 443, 444,
&end
#
# 26 GLN HB- 26 GLN HN 6.00 (# 291:10 Unique 2.40, 3.13 A)
&rst
ixpk= 291, nxpk= 10, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 458, 459,
&end
#
# 116 GLN HG+ 116 GLN HN 6.00 (# 292:10 Unique 2.63, 3.70 A)
&rst
ixpk= 292, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1945,1946,
&end
#
# 116 GLN HB- 116 GLN HN 6.00 (# 293:10 Unique 2.77, 3.66 A)
&rst
ixpk= 293, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1942,1943,
&end
#
# 0 AMB 10-2:295 27 HIS HN 6.00 (# 295:10 Single Ambig)
&rst
ixpk= 295, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 458, 459, 419, 420,
&end
#
# 0 AMB 10-2:296 90 SER HN 6.00 (# 296:10 Single Ambig)
&rst
ixpk= 296, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1550,1551,1532,
&end
#
# 90 SER HB- 90 SER HN 6.00 (# 297:10 Unique 2.54, 3.04 A)
&rst
ixpk= 297, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1550,1551,
&end
#
# 14 GLU HA 14 GLU HN 6.00 (# 298:10 Unique 2.76, 2.81 A)
&rst
ixpk= 298, nxpk= 10, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 PHE HB+ 14 GLU HN 6.00 (# 299:10 Unique 1.99, 3.04 A)
&rst
ixpk= 299, nxpk= 10, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 222, 223,
&end
#
# 13 PHE HB- 14 GLU HN 6.00 (# 300:10 Unique 1.99, 3.04 A)
&rst
ixpk= 300, nxpk= 10, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 222, 223,
&end
#
# 14 GLU HG- 14 GLU HN 6.00 (# 301:10 Unique 2.32, 2.97 A)
&rst
ixpk= 301, nxpk= 10, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 245, 246,
&end
#
# 14 GLU HB+ 14 GLU HN 6.00 (# 302:10 Unique 2.27, 2.99 A)
&rst
ixpk= 302, nxpk= 10, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 242, 243,
&end
#
# 14 GLU HB- 14 GLU HN 6.00 (# 303:10 Unique 2.27, 2.99 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 242, 243,
&end
#
# 84 ASN HB+ 84 ASN HD2+ 6.00 (# 304:10 Unique 2.15, 3.28 A)
&rst
ixpk= 304, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1467,1468,
igr2=1472,1473,
&end
#
# 2 PRO HA 3 SER HN 6.00 (# 305:10 Unique 2.27, 2.67 A)
&rst
ixpk= 305, nxpk= 10, iat= 31, 35, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 SER HB- 3 SER HN 6.00 (# 306:10 Unique 2.45, 3.34 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 39, 40,
&end
#
# 119 PHE HA 120 GLY HN 6.00 (# 307:10 Unique 2.15, 2.48 A)
&rst
ixpk= 307, nxpk= 10, iat=1986,2004, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 120 GLY HA+ 120 GLY HN 4.50 (# 308:10 Unique 2.30, 2.73 A)
&rst
ixpk= 308, nxpk= 10, iat= -1,2004, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2006,2007,
&end
#
# 119 PHE HB+ 120 GLY HN 6.00 (# 309:10 Unique 2.16, 3.66 A)
&rst
ixpk= 309, nxpk= 10, iat= -1,2004, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1988,1989,
&end
#
# 119 PHE HB- 120 GLY HN 6.00 (# 310:10 Unique 2.16, 3.66 A)
&rst
ixpk= 310, nxpk= 10, iat= -1,2004, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1988,1989,
&end
#
# 21 ARG HD+ 21 ARG HE 8.00 (# 312:10 Unique 2.29, 2.73 A)
&rst
ixpk= 312, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 363, 364,
&end
#
# 21 ARG HD- 21 ARG HE 6.00 (# 313:10 Unique 2.29, 2.73 A)
&rst
ixpk= 313, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 363, 364,
&end
#
# 5 LYS HA 6 THR HN 4.50 (# 314:10 Unique 2.21, 2.56 A)
&rst
ixpk= 314, nxpk= 10, iat= 63, 83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 GLN HB+ 6 THR HN 6.00 (# 315:10 Unique 2.55, 4.03 A)
&rst
ixpk= 315, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 143, 144,
&end
#
# 6 THR MG2 6 THR HN 4.50 (# 316:10 Unique 3.44, 4.33 A)
&rst
ixpk= 316, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 89, 90, 91,
&end
#
# 71 LEU HA 72 GLN HN 6.00 (# 317:10 Unique 2.84, 3.15 A)
&rst
ixpk= 317, nxpk= 10, iat=1251,1268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 72 GLN HA 72 GLN HN 3.50 (# 318:10 Unique 2.44, 2.67 A)
&rst
ixpk= 318, nxpk= 10, iat=1270,1268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:319 72 GLN HN 4.50 (# 319:10 Single Ambig)
&rst
ixpk= 319, nxpk= 10, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1275,1276,1275,1276,1272,1273,
&end
#
# 71 LEU HB+ 72 GLN HN 6.00 (# 320:10 Unique 2.38, 3.89 A)
&rst
ixpk= 320, nxpk= 10, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1253,1254,
&end
#
# 0 AMB 10-2:321 72 GLN HN 6.00 (# 321:10 Single Ambig)
&rst
ixpk= 321, nxpk= 10, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1253,1254,1289,1290,
&end
#
# 77 GLN HG+ 77 GLN HE2- 6.00 (# 322:10 Unique 2.15, 3.36 A)
&rst
ixpk= 322, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1349,1350,
igr2=1354,1355,
&end
#
# 115 SER HA 115 SER HN 6.00 (# 323:10 Unique 2.91, 2.97 A)
&rst
ixpk= 323, nxpk= 10, iat=1929,1927, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 SER HB+ 115 SER HN 6.00 (# 324:10 Unique 2.17, 3.11 A)
&rst
ixpk= 324, nxpk= 10, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1931,1932,
&end
#
# 114 ALA MB 115 SER HN 4.50 (# 325:10 Unique 1.86, 2.87 A)
&rst
ixpk= 325, nxpk= 10, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1921,1922,1923,
&end
#
# 44 LEU MDX 115 SER HN 6.00 (# 326:10 Unique 2.20, 4.58 A)
&rst
ixpk= 326, nxpk= 10, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 44 LEU MDY 77 GLN HE2+ 6.00 (# 327:10 Unique 1.88, 5.64 A)
&rst
ixpk= 327, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1354,1355,
&end
#
# 0 AMB 10-2:329 8 LYS HN 6.00 (# 329:10 Single Ambig)
&rst
ixpk= 329, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 121, 122, 121, 122, 124, 125,
&end
#
# 0 AMB 10-2:330 61 SER HN 6.00 (# 330:10 Single Ambig)
&rst
ixpk= 330, nxpk= 10, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1038,1608,
&end
#
# 61 SER HA 61 SER HN 6.00 (# 331:10 Unique 2.75, 2.78 A)
&rst
ixpk= 331, nxpk= 10, iat=1055,1053, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:332 61 SER HN 4.50 (# 332:10 Single Ambig)
&rst
ixpk= 332, nxpk= 10, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1057,1058,1057,1058,
&end
#
# 60 MET HB+ 61 SER HN 6.00 (# 333:10 Unique 1.96, 2.87 A)
&rst
ixpk= 333, nxpk= 10, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1040,1041,
&end
#
# 60 MET HB- 61 SER HN 6.00 (# 334:10 Unique 1.96, 2.87 A)
&rst
ixpk= 334, nxpk= 10, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1040,1041,
&end
#
# 0 AMB 10-2:335 61 SER HN 6.00 (# 335:10 Single Ambig)
&rst
ixpk= 335, nxpk= 10, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,
&end
#
# 74 ASN HB+ 74 ASN HD2+ 6.00 (# 336:10 Unique 2.15, 3.29 A)
&rst
ixpk= 336, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1308,1309,
igr2=1313,1314,
&end
#
# 0 AMB 10-2:337 0 AMB 10-1:337 6.00 (# 337:10 Double Ambig)
&rst
ixpk= 337, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1308,1309,1332,1333,
igr2=1313,1314,1313,1314,
&end
#
# 74 ASN HB+ 74 ASN HD2- 6.00 (# 338:10 Unique 2.15, 3.29 A)
&rst
ixpk= 338, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1308,1309,
igr2=1313,1314,
&end
#
# 49 LYS HA 50 THR HN 6.00 (# 339:10 Unique 2.14, 2.72 A)
&rst
ixpk= 339, nxpk= 10, iat= 851, 871, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 LYS HB+ 50 THR HN 6.00 (# 340:10 Unique 1.66, 4.00 A)
&rst
ixpk= 340, nxpk= 10, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 853, 854,
&end
#
# 97 GLU HA 100 GLU HN 6.00 (# 341:10 Unique 3.18, 3.33 A)
&rst
ixpk= 341, nxpk= 10, iat=1644,1694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:342 100 GLU HN 6.00 (# 342:10 Single Ambig)
&rst
ixpk= 342, nxpk= 10, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1675,1713,1714,1713,1714,1633,1635,1636,
&end
#
# 100 GLU HA 100 GLU HN 6.00 (# 343:10 Unique 2.85, 2.91 A)
&rst
ixpk= 343, nxpk= 10, iat=1696,1694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 TYR HB+ 100 GLU HN 6.00 (# 344:10 Unique 2.63, 3.51 A)
&rst
ixpk= 344, nxpk= 10, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1677,1678,
&end
#
# 0 AMB 10-2:345 100 GLU HN 6.00 (# 345:10 Single Ambig)
&rst
ixpk= 345, nxpk= 10, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1701,1702,1701,1702,
&end
#
# 0 AMB 10-2:346 100 GLU HN 3.50 (# 346:10 Single Ambig)
&rst
ixpk= 346, nxpk= 10, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1698,1699,1698,1699,
&end
#
# 57 HIS HB+ 57 HIS HN 6.00 (# 347:10 Unique 2.83, 3.27 A)
&rst
ixpk= 347, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 992, 993,
&end
#
# 0 AMB 10-2:348 9 GLN HN 6.00 (# 348:10 Single Ambig)
&rst
ixpk= 348, nxpk= 10, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 146, 147, 146, 147,
&end
#
# 119 PHE HA 116 GLN HE2+ 6.00 (# 349:10 Unique 3.33, 5.86 A)
&rst
ixpk= 349, nxpk= 10, iat=1986, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1950,1951,
&end
#
# 116 GLN HG- 116 GLN HE2+ 6.00 (# 350:10 Unique 2.15, 3.27 A)
&rst
ixpk= 350, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1945,1946,
igr2=1950,1951,
&end
#
# 0 AMB 10-2:351 76 ASN HN 6.00 (# 351:10 Single Ambig)
&rst
ixpk= 351, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1308,1309,1332,1333,1332,1333,
&end
#
# 75 ALA MB 76 ASN HN 6.00 (# 352:10 Unique 2.24, 3.72 A)
&rst
ixpk= 352, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1322,1323,1324,
&end
#
# 0 AMB 10-2:353 0 AMB 10-1:353 6.00 (# 353:10 Double Ambig)
&rst
ixpk= 353, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1275,1276,1275,1276,1272,1273,
igr2=1280,1281,1280,1281,1280,1281,
&end
#
# 0 AMB 10-2:354 0 AMB 10-1:354 6.00 (# 354:10 Double Ambig)
&rst
ixpk= 354, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1308,1309,1332,1333,1332,1333,
igr2=1337,1338,1337,1338,1337,1338,
&end
#
# 43 GLN HG- 43 GLN HE2+ 6.00 (# 355:10 Unique 2.15, 3.29 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 759, 760,
igr2= 764, 765,
&end
#
# 0 AMB 10-2:356 0 AMB 10-1:356 6.00 (# 356:10 Double Ambig)
&rst
ixpk= 356, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 146, 147, 146, 147, 260, 261,
igr2= 151, 152, 151, 152, 265, 266,
&end
#
# 59 ASN HB+ 59 ASN HD2+ 6.00 (# 357:10 Unique 2.15, 3.30 A)
&rst
ixpk= 357, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1026,1027,
igr2=1031,1032,
&end
#
# 59 ASN HB- 59 ASN HD2+ 6.00 (# 358:10 Unique 2.15, 3.30 A)
&rst
ixpk= 358, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1026,1027,
igr2=1031,1032,
&end
#
# 26 GLN HG+ 26 GLN HE2+ 6.00 (# 359:10 Unique 2.16, 3.22 A)
&rst
ixpk= 359, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 461, 462,
igr2= 466, 467,
&end
#
# 26 GLN HG- 26 GLN HE2+ 6.00 (# 360:10 Unique 2.16, 3.22 A)
&rst
ixpk= 360, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 461, 462,
igr2= 466, 467,
&end
#
# 116 GLN HA 118 THR HN 6.00 (# 361:10 Unique 3.95, 4.38 A)
&rst
ixpk= 361, nxpk= 10, iat=1940,1970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 THR HA 118 THR HN 6.00 (# 362:10 Unique 2.91, 2.92 A)
&rst
ixpk= 362, nxpk= 10, iat=1972,1970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:363 118 THR HN 6.00 (# 363:10 Single Ambig)
&rst
ixpk= 363, nxpk= 10, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1974,1506,1507,1506,1507,
&end
#
# 117 GLU HA 118 THR HN 6.00 (# 364:10 Unique 3.42, 3.50 A)
&rst
ixpk= 364, nxpk= 10, iat=1957,1970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:365 118 THR HN 6.00 (# 365:10 Single Ambig)
&rst
ixpk= 365, nxpk= 10, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1945,1946,1942,1943,
&end
#
# 116 GLN HB- 118 THR HN 6.00 (# 366:10 Unique 2.32, 3.73 A)
&rst
ixpk= 366, nxpk= 10, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1942,1943,
&end
#
# 117 GLU HB+ 118 THR HN 6.00 (# 367:10 Unique 1.93, 3.59 A)
&rst
ixpk= 367, nxpk= 10, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1959,1960,
&end
#
# 117 GLU HB- 118 THR HN 8.00 (# 368:10 Unique 1.93, 3.59 A)
&rst
ixpk= 368, nxpk= 10, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1959,1960,
&end
#
# 118 THR MG2 118 THR HN 6.00 (# 369:10 Unique 2.44, 4.06 A)
&rst
ixpk= 369, nxpk= 10, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1976,1977,1978,
&end
#
# 0 AMB 10-2:370 101 SER HN 4.50 (# 370:10 Single Ambig)
&rst
ixpk= 370, nxpk= 10, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1713,1714,1713,1714,
&end
#
# 0 AMB 10-2:371 101 SER HN 6.00 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1659,1696,
&end
#
# 0 AMB 10-2:372 101 SER HN 4.50 (# 372:10 Single Ambig)
&rst
ixpk= 372, nxpk= 10, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1698,1699,1698,1699,
&end
#
# 29 THR MG2 29 THR HN 6.00 (# 373:10 Unique 2.31, 3.56 A)
&rst
ixpk= 373, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 509, 510, 511,
&end
#
# 107 GLY HA+ 107 GLY HN 6.00 (# 374:10 Unique 2.30, 2.65 A)
&rst
ixpk= 374, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1798,1799,
&end
#
# 0 AMB 10-2:375 107 GLY HN 6.00 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1786,1771,
&end
#
# 104 ASP HB+ 107 GLY HN 6.00 (# 376:10 Unique 2.34, 3.63 A)
&rst
ixpk= 376, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1761,1762,
&end
#
# 107 GLY HA- 107 GLY HN 4.50 (# 377:10 Unique 2.30, 2.65 A)
&rst
ixpk= 377, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1798,1799,
&end
#
# 84 ASN HA 85 GLY HN 6.00 (# 378:10 Unique 3.05, 3.09 A)
&rst
ixpk= 378, nxpk= 10, iat=1465,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 GLY HA- 85 GLY HN 4.50 (# 379:10 Unique 2.43, 2.70 A)
&rst
ixpk= 379, nxpk= 10, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1479,1480,
&end
#
# 33 VAL HA 34 ILE HN 4.50 (# 380:10 Unique 2.13, 2.21 A)
&rst
ixpk= 380, nxpk= 10, iat= 574, 588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 TYR HA 34 ILE HN 6.00 (# 381:10 Unique 2.40, 3.12 A)
&rst
ixpk= 381, nxpk= 10, iat=1844, 588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU HA 110 TYR HN 6.00 (# 382:10 Unique 2.13, 2.16 A)
&rst
ixpk= 382, nxpk= 10, iat=1825,1842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 LEU HA 82 LEU HN 4.50 (# 383:10 Unique 2.13, 2.17 A)
&rst
ixpk= 383, nxpk= 10, iat=1411,1428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 THR HB 7 PHE HN 6.00 (# 384:10 Unique 2.19, 2.51 A)
&rst
ixpk= 384, nxpk= 10, iat= 87, 97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:385 33 VAL HN 3.50 (# 385:10 Single Ambig)
&rst
ixpk= 385, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 568, 574,
&end
#
# 59 ASN HA 95 ILE HN 6.00 (# 386:10 Unique 2.25, 2.67 A)
&rst
ixpk= 386, nxpk= 10, iat=1024,1612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 LEU HA 54 VAL HN 4.50 (# 387:10 Unique 2.13, 2.28 A)
&rst
ixpk= 387, nxpk= 10, iat= 929, 946, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LYS HA 31 ILE HN 6.00 (# 388:10 Unique 2.14, 2.43 A)
&rst
ixpk= 388, nxpk= 10, iat= 519, 539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 GLY HN 41 GLU HN 6.00 (# 389:10 Unique 2.61, 3.21 A)
&rst
ixpk= 389, nxpk= 10, iat= 708, 715, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HA 56 ASP HN 6.00 (# 390:10 Unique 1.97, 2.35 A)
&rst
ixpk= 390, nxpk= 10, iat= 519, 976, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 MET HA 112 VAL HN 4.50 (# 391:10 Unique 2.13, 2.16 A)
&rst
ixpk= 391, nxpk= 10, iat=1865,1880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 VAL HA 112 VAL HN 6.00 (# 392:10 Unique 2.93, 2.94 A)
&rst
ixpk= 392, nxpk= 10, iat=1882,1880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 PHE HA 53 LEU HN 4.50 (# 393:10 Unique 2.15, 2.24 A)
&rst
ixpk= 393, nxpk= 10, iat= 909, 927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HA 53 LEU HN 8.00 (# 394:10 Unique 2.90, 2.96 A)
&rst
ixpk= 394, nxpk= 10, iat= 929, 927, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 113 TYR HA 114 ALA HN 3.50 (# 395:10 Unique 2.13, 2.23 A)
&rst
ixpk= 395, nxpk= 10, iat=1898,1917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 MET HA 111 MET HN 6.00 (# 396:10 Unique 2.96, 2.97 A)
&rst
ixpk= 396, nxpk= 10, iat=1865,1863, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:397 111 MET HN 4.50 (# 397:10 Single Ambig)
&rst
ixpk= 397, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1844, 609,
&end
#
# 112 VAL HA 113 TYR HN 4.50 (# 398:10 Unique 2.13, 2.20 A)
&rst
ixpk= 398, nxpk= 10, iat=1882,1896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 HIS HA 87 SER HN 6.00 (# 399:10 Unique 2.14, 2.15 A)
&rst
ixpk= 399, nxpk= 10, iat=1486,1502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HA 30 LYS HN 6.00 (# 400:10 Unique 2.86, 2.94 A)
&rst
ixpk= 400, nxpk= 10, iat= 519, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 HIS HA 86 HIS HN 6.00 (# 401:10 Unique 2.92, 2.93 A)
&rst
ixpk= 401, nxpk= 10, iat=1486,1484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 ASN HA 60 MET HN 6.00 (# 402:10 Unique 2.40, 2.55 A)
&rst
ixpk= 402, nxpk= 10, iat=1024,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:403 80 PHE HN 6.00 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1377,1385,1397,1405,
&end
#
# 119 PHE HD 119 PHE HN 6.00 (# 404:10 Unique 1.97, 3.90 A)
&rst
ixpk= 404, nxpk= 10, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1992,2000,
&end
#
# 113 TYR HD 114 ALA HN 6.00 (# 405:10 Unique 1.82, 3.85 A)
&rst
ixpk= 405, nxpk= 10, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1904,1913,
&end
#
# 113 TYR HD 113 TYR HN 6.00 (# 406:10 Unique 2.59, 4.47 A)
&rst
ixpk= 406, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1904,1913,
&end
#
# 38 TYR HD 39 LYS HN 6.00 (# 410:10 Unique 3.58, 5.07 A)
&rst
ixpk= 410, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 673, 682,
&end
#
# 110 TYR HD 110 TYR HN 6.00 (# 411:10 Unique 1.92, 4.12 A)
&rst
ixpk= 411, nxpk= 10, iat= -1,1842, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1850,1859,
&end
#
# 110 TYR HD 104 ASP HN 6.00 (# 412:10 Unique 4.72, 7.67 A)
&rst
ixpk= 412, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1850,1859,
&end
#
# 69 ARG HN 70 ARG HN 6.00 (# 413:10 Unique 2.19, 2.44 A)
&rst
ixpk= 413, nxpk= 10, iat=1201,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 THR HN 119 PHE HN 8.00 (# 414:10 Unique 4.22, 4.39 A)
&rst
ixpk= 414, nxpk= 10, iat=1970,1984, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 52 PHE HD 52 PHE HN 6.00 (# 415:10 Unique 2.17, 4.03 A)
&rst
ixpk= 415, nxpk= 10, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 915, 923,
&end
#
# 0 AMB 10-2:416 56 ASP HN 6.00 (# 416:10 Single Ambig)
&rst
ixpk= 416, nxpk= 10, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 988, 517,
&end
#
# 18 GLU HN 19 ASP HN 6.00 (# 417:10 Unique 2.77, 2.97 A)
&rst
ixpk= 417, nxpk= 10, iat= 310, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:418 99 TYR HN 4.50 (# 418:10 Single Ambig)
&rst
ixpk= 418, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1657,1709,
&end
#
# 99 TYR HD 99 TYR HN 6.00 (# 419:10 Unique 3.69, 4.67 A)
&rst
ixpk= 419, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1681,1690,
&end
#
# 69 ARG HN 68 ARG HN 6.00 (# 420:10 Unique 2.39, 2.71 A)
&rst
ixpk= 420, nxpk= 10, iat=1201,1177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 LYS HN 64 ILE HN 6.00 (# 421:10 Unique 2.43, 2.79 A)
&rst
ixpk= 421, nxpk= 10, iat=1117,1098, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:422 117 GLU HN 6.00 (# 422:10 Single Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1399,1403,1938,
&end
#
# 118 THR HN 117 GLU HN 4.50 (# 423:10 Unique 1.87, 2.35 A)
&rst
ixpk= 423, nxpk= 10, iat=1970,1955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 GLU HN 96 SER HN 6.00 (# 424:10 Unique 2.84, 2.97 A)
&rst
ixpk= 424, nxpk= 10, iat=1642,1631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 SER HN 102 GLU HN 4.50 (# 425:10 Unique 1.93, 2.07 A)
&rst
ixpk= 425, nxpk= 10, iat=1709,1720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 GLN HN 115 SER HN 6.00 (# 426:10 Unique 2.05, 2.37 A)
&rst
ixpk= 426, nxpk= 10, iat=1938,1927, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 LYS HN 50 THR HN 6.00 (# 427:10 Unique 2.08, 2.79 A)
&rst
ixpk= 427, nxpk= 10, iat= 885, 871, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:428 70 ARG HN 6.00 (# 428:10 Single Ambig)
&rst
ixpk= 428, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1249,1268,
&end
#
# 120 GLY HN 119 PHE HN 8.00 (# 429:10 Unique 2.62, 4.05 A)
&rst
ixpk= 429, nxpk= 10, iat=2004,1984, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 15 GLN HN 16 ARG HN 6.00 (# 430:10 Unique 2.71, 2.88 A)
&rst
ixpk= 430, nxpk= 10, iat= 253, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 107 GLY HN 106 ASP HN 6.00 (# 431:10 Unique 2.05, 2.53 A)
&rst
ixpk= 431, nxpk= 10, iat=1796,1784, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 LYS HN 102 GLU HN 6.00 (# 432:10 Unique 2.25, 2.36 A)
&rst
ixpk= 432, nxpk= 10, iat=1735,1720, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 GLN HN 14 GLU HN 6.00 (# 433:10 Unique 2.97, 3.13 A)
&rst
ixpk= 433, nxpk= 10, iat= 253, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 SER HN 95 ILE HN 6.00 (# 434:10 Unique 2.24, 2.58 A)
&rst
ixpk= 434, nxpk= 10, iat=1631,1612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 GLN HN 44 LEU HN 6.00 (# 435:10 Unique 2.45, 2.96 A)
&rst
ixpk= 435, nxpk= 10, iat= 752, 769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 112 VAL HN 82 LEU HN 6.00 (# 436:10 Unique 3.93, 4.40 A)
&rst
ixpk= 436, nxpk= 10, iat=1880,1428, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 VAL HN 31 ILE HN 6.00 (# 437:10 Unique 2.26, 2.75 A)
&rst
ixpk= 437, nxpk= 10, iat= 946, 539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 GLU HN 118 THR HN 6.00 (# 439:10 Unique 1.87, 2.35 A)
&rst
ixpk= 439, nxpk= 10, iat=1955,1970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 TYR HN 98 VAL HN 6.00 (# 440:10 Unique 2.57, 2.77 A)
&rst
ixpk= 440, nxpk= 10, iat=1673,1657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ARG HN 11 ARG HN 6.00 (# 441:10 Unique 1.81, 2.90 A)
&rst
ixpk= 441, nxpk= 10, iat= 156, 180, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 VAL HN 18 GLU HN 6.00 (# 442:10 Unique 2.70, 2.87 A)
&rst
ixpk= 442, nxpk= 10, iat= 294, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 ASP HN 18 GLU HN 6.00 (# 443:10 Unique 2.77, 2.97 A)
&rst
ixpk= 443, nxpk= 10, iat= 325, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 THR HN 51 LYS HN 6.00 (# 444:10 Unique 2.08, 2.79 A)
&rst
ixpk= 444, nxpk= 10, iat= 871, 885, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 SER HN 93 THR HN 6.00 (# 445:10 Unique 2.07, 2.83 A)
&rst
ixpk= 445, nxpk= 10, iat=1573,1584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:446 0 AMB 10-1:446 6.00 (# 446:10 Double Ambig)
&rst
ixpk= 446, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 871,1139,
igr2= 849,1117,
&end
#
# 48 ASP HN 49 LYS HN 6.00 (# 447:10 Unique 1.66, 3.41 A)
&rst
ixpk= 447, nxpk= 10, iat= 837, 849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ARG HN 25 GLU HN 6.00 (# 448:10 Unique 2.36, 2.48 A)
&rst
ixpk= 448, nxpk= 10, iat= 415, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 SER HN 116 GLN HN 6.00 (# 449:10 Unique 2.05, 2.37 A)
&rst
ixpk= 449, nxpk= 10, iat=1927,1938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 TYR HN 100 GLU HN 6.00 (# 450:10 Unique 2.42, 2.52 A)
&rst
ixpk= 450, nxpk= 10, iat=1673,1694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 GLU HN 101 SER HN 4.50 (# 451:10 Unique 1.93, 2.07 A)
&rst
ixpk= 451, nxpk= 10, iat=1720,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ILE HN 54 VAL HN 6.00 (# 452:10 Unique 2.26, 2.75 A)
&rst
ixpk= 452, nxpk= 10, iat= 539, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 LEU HN 112 VAL HN 6.00 (# 453:10 Unique 3.93, 4.40 A)
&rst
ixpk= 453, nxpk= 10, iat=1428,1880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ILE HN 96 SER HN 6.00 (# 454:10 Unique 2.24, 2.58 A)
&rst
ixpk= 454, nxpk= 10, iat=1612,1631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 GLU HN 103 LYS HN 6.00 (# 455:10 Unique 2.25, 2.36 A)
&rst
ixpk= 455, nxpk= 10, iat=1720,1735, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 ARG HN 71 LEU HN 6.00 (# 456:10 Unique 2.39, 2.55 A)
&rst
ixpk= 456, nxpk= 10, iat=1225,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 PHE HN 120 GLY HN 8.00 (# 457:10 Unique 2.62, 4.05 A)
&rst
ixpk= 457, nxpk= 10, iat=1984,2004, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 38 TYR HN 113 TYR HN 6.00 (# 458:10 Unique 2.49, 3.01 A)
&rst
ixpk= 458, nxpk= 10, iat= 665,1896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:459 86 HIS HN 6.00 (# 459:10 Single Ambig)
&rst
ixpk= 459, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1477,1447,
&end
#
# 44 LEU HN 43 GLN HN 6.00 (# 460:10 Unique 2.45, 2.96 A)
&rst
ixpk= 460, nxpk= 10, iat= 769, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 106 ASP HN 105 GLU HN 6.00 (# 461:10 Unique 2.65, 2.93 A)
&rst
ixpk= 461, nxpk= 10, iat=1784,1769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 1 MET HA 3 SER HN 6.00 (# 462:10 Unique 3.61, 4.38 A)
&rst
ixpk= 462, nxpk= 10, iat= 6, 35, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 LEU HA 86 HIS HN 6.00 (# 464:10 Unique 3.03, 3.37 A)
&rst
ixpk= 464, nxpk= 10, iat=1430,1484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 TYR HD 41 GLU HN 6.00 (# 465:10 Unique 2.30, 4.18 A)
&rst
ixpk= 465, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 673, 682,
&end
#
# 12 THR HB 13 PHE HN 6.00 (# 466:10 Unique 1.89, 2.06 A)
&rst
ixpk= 466, nxpk= 10, iat= 208, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 PHE HN 14 GLU HN 6.00 (# 467:10 Unique 2.82, 2.97 A)
&rst
ixpk= 467, nxpk= 10, iat= 218, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 THR HB 14 GLU HN 6.00 (# 468:10 Unique 2.65, 2.97 A)
&rst
ixpk= 468, nxpk= 10, iat= 208, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 VAL HA 18 GLU HN 6.00 (# 469:10 Unique 3.54, 3.56 A)
&rst
ixpk= 469, nxpk= 10, iat= 296, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 ILE HN 22 LEU HN 6.00 (# 470:10 Unique 2.63, 2.75 A)
&rst
ixpk= 470, nxpk= 10, iat= 396, 377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 ILE HN 24 ARG HN 6.00 (# 472:10 Unique 2.33, 2.56 A)
&rst
ixpk= 472, nxpk= 10, iat= 396, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 GLN HN 25 GLU HN 6.00 (# 473:10 Unique 2.33, 2.53 A)
&rst
ixpk= 473, nxpk= 10, iat= 454, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ARG HB+ 25 GLU HN 6.00 (# 474:10 Unique 2.60, 3.31 A)
&rst
ixpk= 474, nxpk= 10, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 419, 420,
&end
#
# 24 ARG HA 27 HIS HN 6.00 (# 475:10 Unique 2.91, 3.49 A)
&rst
ixpk= 475, nxpk= 10, iat= 417, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS HN 29 THR HN 6.00 (# 476:10 Unique 2.62, 3.05 A)
&rst
ixpk= 476, nxpk= 10, iat= 517, 503, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 THR HN 30 LYS HN 6.00 (# 477:10 Unique 2.62, 3.05 A)
&rst
ixpk= 477, nxpk= 10, iat= 503, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 THR HA 30 LYS HN 6.00 (# 478:10 Unique 2.53, 2.85 A)
&rst
ixpk= 478, nxpk= 10, iat= 505, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 ILE HA 35 ILE HN 8.00 (# 479:10 Unique 2.93, 2.96 A)
&rst
ixpk= 479, nxpk= 10, iat= 609, 607, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 35 ILE HA 36 GLU HN 3.50 (# 480:10 Unique 2.13, 2.17 A)
&rst
ixpk= 480, nxpk= 10, iat= 609, 626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 GLU HB+ 36 GLU HN 6.00 (# 481:10 Unique 2.78, 3.26 A)
&rst
ixpk= 481, nxpk= 10, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 630, 631,
&end
#
# 43 GLN HN 42 LYS HN 6.00 (# 482:10 Unique 2.43, 3.16 A)
&rst
ixpk= 482, nxpk= 10, iat= 752, 730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:483 43 GLN HN 6.00 (# 483:10 Single Ambig)
&rst
ixpk= 483, nxpk= 10, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 771, 798,
&end
#
# 0 AMB 10-2:484 44 LEU HN 6.00 (# 484:10 Single Ambig)
&rst
ixpk= 484, nxpk= 10, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 771,1919,
&end
#
# 65 LYS HG+ 65 LYS HN 6.00 (# 486:10 Unique 2.42, 3.43 A)
&rst
ixpk= 486, nxpk= 10, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1124,1125,
&end
#
# 0 AMB 10-2:487 49 LYS HN 6.00 (# 487:10 Single Ambig)
&rst
ixpk= 487, nxpk= 10, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833, 808, 809, 810, 812, 813, 814,
&end
#
# 51 LYS HA 52 PHE HN 6.00 (# 488:10 Unique 2.13, 2.31 A)
&rst
ixpk= 488, nxpk= 10, iat= 887, 907, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:489 0 AMB 10-1:489 6.00 (# 489:10 Double Ambig)
&rst
ixpk= 489, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2158, 48,2174,
igr2= 927, 837,
&end
#
# 54 VAL HA 54 VAL HN 6.00 (# 490:10 Unique 2.94, 2.96 A)
&rst
ixpk= 490, nxpk= 10, iat= 948, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 HIS HA 57 HIS HN 6.00 (# 491:10 Unique 2.82, 2.87 A)
&rst
ixpk= 491, nxpk= 10, iat= 990, 988, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 SER HN 62 GLU HN 6.00 (# 493:10 Unique 2.72, 2.86 A)
&rst
ixpk= 493, nxpk= 10, iat=1053,1064, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 LEU HN 62 GLU HN 4.50 (# 494:10 Unique 2.59, 2.99 A)
&rst
ixpk= 494, nxpk= 10, iat=1079,1064, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 ARG HN 69 ARG HN 6.00 (# 495:10 Unique 2.39, 2.71 A)
&rst
ixpk= 495, nxpk= 10, iat=1177,1201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:496 70 ARG HN 6.00 (# 496:10 Single Ambig)
&rst
ixpk= 496, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1177,1158,
&end
#
# 74 ASN HA 74 ASN HN 6.00 (# 497:10 Unique 2.73, 2.83 A)
&rst
ixpk= 497, nxpk= 10, iat=1306,1304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 ASN HA 75 ALA HN 6.00 (# 498:10 Unique 2.20, 2.48 A)
&rst
ixpk= 498, nxpk= 10, iat=1306,1318, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 ASN HA 76 ASN HN 6.00 (# 500:10 Unique 2.76, 2.89 A)
&rst
ixpk= 500, nxpk= 10, iat=1330,1328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 ASN HA 77 GLN HN 6.00 (# 501:10 Unique 3.45, 3.53 A)
&rst
ixpk= 501, nxpk= 10, iat=1330,1342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 LEU HB+ 81 LEU HN 6.00 (# 502:10 Unique 2.17, 2.87 A)
&rst
ixpk= 502, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1413,1414,
&end
#
# 81 LEU HB- 81 LEU HN 6.00 (# 503:10 Unique 2.17, 2.87 A)
&rst
ixpk= 503, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1413,1414,
&end
#
# 82 LEU HA 82 LEU HN 6.00 (# 504:10 Unique 2.90, 2.95 A)
&rst
ixpk= 504, nxpk= 10, iat=1430,1428, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 LEU HA 83 VAL HN 3.50 (# 505:10 Unique 2.13, 2.15 A)
&rst
ixpk= 505, nxpk= 10, iat=1430,1447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:506 88 MET HN 6.00 (# 506:10 Single Ambig)
&rst
ixpk= 506, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1430,1515,
&end
#
# 88 MET HA 89 VAL HN 4.50 (# 508:10 Unique 2.24, 2.74 A)
&rst
ixpk= 508, nxpk= 10, iat=1515,1530, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 SER HA 91 VAL HN 6.00 (# 510:10 Unique 2.13, 2.28 A)
&rst
ixpk= 510, nxpk= 10, iat=1548,1557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 TYR HD 100 GLU HN 6.00 (# 513:10 Unique 2.83, 4.54 A)
&rst
ixpk= 513, nxpk= 10, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1681,1690,
&end
#
# 102 GLU HA 102 GLU HN 6.00 (# 514:10 Unique 2.95, 2.97 A)
&rst
ixpk= 514, nxpk= 10, iat=1722,1720, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 GLU HA 104 ASP HN 6.00 (# 515:10 Unique 5.88, 6.11 A)
&rst
ixpk= 515, nxpk= 10, iat=1722,1757, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 108 PHE HN 107 GLY HN 6.00 (# 517:10 Unique 2.21, 2.87 A)
&rst
ixpk= 517, nxpk= 10, iat=1803,1796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 108 PHE HA 109 LEU HN 6.00 (# 518:10 Unique 2.19, 2.76 A)
&rst
ixpk= 518, nxpk= 10, iat=1805,1823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 ALA HA 114 ALA HN 6.00 (# 519:10 Unique 2.82, 2.87 A)
&rst
ixpk= 519, nxpk= 10, iat=1919,1917, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 ALA HA 115 SER HN 4.50 (# 520:10 Unique 2.42, 2.65 A)
&rst
ixpk= 520, nxpk= 10, iat=1919,1927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:521 116 GLN HN 6.00 (# 521:10 Single Ambig)
&rst
ixpk= 521, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1945,1946,1942,1943,
&end
#
# 0 AMB 10-2:524 0 AMB 10-1:524 3.50 (# 524:10 Double Ambig)
&rst
ixpk= 524, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1391,1986,
igr2=1409,1984,
&end
#
# 0 AMB 10-2:527 3 SER HN 8.00 (# 527:10 Single Ambig)
&rst
ixpk= 527, nxpk= 10, iat= -1, 35, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 8, 9, 28, 29, 50, 51,
&end
#
# 4 GLU HA 4 GLU HN 8.00 (# 529:10 Unique 2.81, 2.87 A)
&rst
ixpk= 529, nxpk= 10, iat= 48, 46, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:530 4 GLU HN 8.00 (# 530:10 Single Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 53, 54, 53, 54,
&end
#
# 0 AMB 10-2:532 5 LYS HN 8.00 (# 532:10 Single Ambig)
&rst
ixpk= 532, nxpk= 10, iat= -1, 61, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 53, 54, 53, 54,
&end
#
# 0 AMB 10-2:533 5 LYS HN 8.00 (# 533:10 Single Ambig)
&rst
ixpk= 533, nxpk= 10, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 50, 51, 806,
&end
#
# 4 GLU HB- 5 LYS HN 8.00 (# 534:10 Unique 1.85, 4.03 A)
&rst
ixpk= 534, nxpk= 10, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 50, 51,
&end
#
# 5 LYS HG- 5 LYS HN 8.00 (# 535:10 Unique 2.31, 4.38 A)
&rst
ixpk= 535, nxpk= 10, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 68, 69,
&end
#
# 6 THR HB 6 THR HN 8.00 (# 536:10 Unique 3.03, 3.16 A)
&rst
ixpk= 536, nxpk= 10, iat= 87, 83, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 6 THR HA 6 THR HN 6.00 (# 537:10 Unique 2.82, 2.87 A)
&rst
ixpk= 537, nxpk= 10, iat= 85, 83, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 GLN HB- 6 THR HN 8.00 (# 538:10 Unique 2.55, 4.03 A)
&rst
ixpk= 538, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 143, 144,
&end
#
# 0 AMB 10-2:539 6 THR HN 6.00 (# 539:10 Single Ambig)
&rst
ixpk= 539, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 65, 66, 65, 66,
&end
#
# 0 AMB 10-2:540 6 THR HN 8.00 (# 540:10 Single Ambig)
&rst
ixpk= 540, nxpk= 10, iat= -1, 83, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 68, 69, 71, 72,
&end
#
# 8 LYS HN 7 PHE HN 8.00 (# 541:10 Unique 2.43, 2.57 A)
&rst
ixpk= 541, nxpk= 10, iat= 117, 97, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 7 PHE HD 7 PHE HN 8.00 (# 542:10 Unique 1.93, 3.91 A)
&rst
ixpk= 542, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 105, 113,
&end
#
# 7 PHE HA 7 PHE HN 8.00 (# 543:10 Unique 2.80, 2.86 A)
&rst
ixpk= 543, nxpk= 10, iat= 99, 97, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 6 THR MG2 7 PHE HN 6.00 (# 544:10 Unique 1.69, 2.97 A)
&rst
ixpk= 544, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 89, 90, 91,
&end
#
# 9 GLN HN 8 LYS HN 8.00 (# 545:10 Unique 2.26, 2.53 A)
&rst
ixpk= 545, nxpk= 10, iat= 139, 117, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:546 8 LYS HN 8.00 (# 546:10 Single Ambig)
&rst
ixpk= 546, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 119, 875,
&end
#
# 7 PHE HB- 8 LYS HN 8.00 (# 547:10 Unique 3.23, 4.04 A)
&rst
ixpk= 547, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 101, 102,
&end
#
# 8 LYS HN 9 GLN HN 8.00 (# 550:10 Unique 2.26, 2.53 A)
&rst
ixpk= 550, nxpk= 10, iat= 117, 139, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 6 THR HN 9 GLN HN 8.00 (# 551:10 Unique 3.66, 4.34 A)
&rst
ixpk= 551, nxpk= 10, iat= 83, 139, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 10 ARG HN 9 GLN HN 6.00 (# 552:10 Unique 2.02, 2.37 A)
&rst
ixpk= 552, nxpk= 10, iat= 156, 139, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 GLN HA 9 GLN HN 6.00 (# 553:10 Unique 2.82, 2.93 A)
&rst
ixpk= 553, nxpk= 10, iat= 141, 139, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 GLN HB- 9 GLN HN 8.00 (# 554:10 Unique 2.20, 2.70 A)
&rst
ixpk= 554, nxpk= 10, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 143, 144,
&end
#
# 0 AMB 10-2:555 9 GLN HN 6.00 (# 555:10 Single Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 163, 164, 124, 125, 121, 122, 121, 122, 65, 66,
65, 66,
&end
#
# 87 SER HN 86 HIS HN 8.00 (# 556:10 Unique 3.90, 3.99 A)
&rst
ixpk= 556, nxpk= 10, iat=1502,1484, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 86 HIS HD2 86 HIS HN 8.00 (# 557:10 Unique 4.26, 5.01 A)
&rst
ixpk= 557, nxpk= 10, iat=1498,1484, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:559 86 HIS HN 8.00 (# 559:10 Single Ambig)
&rst
ixpk= 559, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1504,1465,
&end
#
# 0 AMB 10-2:560 86 HIS HN 8.00 (# 560:10 Single Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1451,1517,1518,
&end
#
# 82 LEU HB+ 86 HIS HN 8.00 (# 561:10 Unique 2.05, 2.97 A)
&rst
ixpk= 561, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1432,1433,
&end
#
# 40 GLY HA+ 41 GLU HN 6.00 (# 562:10 Unique 2.48, 3.09 A)
&rst
ixpk= 562, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 710, 711,
&end
#
# 39 LYS HA 41 GLU HN 8.00 (# 563:10 Unique 3.73, 4.29 A)
&rst
ixpk= 563, nxpk= 10, iat= 688, 715, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 40 GLY HA- 41 GLU HN 8.00 (# 564:10 Unique 2.48, 3.09 A)
&rst
ixpk= 564, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 710, 711,
&end
#
# 38 TYR HB- 41 GLU HN 6.00 (# 565:10 Unique 2.89, 5.07 A)
&rst
ixpk= 565, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 669, 670,
&end
#
# 41 GLU HG- 41 GLU HN 8.00 (# 566:10 Unique 3.35, 4.49 A)
&rst
ixpk= 566, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 722, 723,
&end
#
# 37 ARG HG+ 41 GLU HN 8.00 (# 567:10 Unique 4.05, 5.96 A)
&rst
ixpk= 567, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 648, 649,
&end
#
# 117 GLU HG- 118 THR HN 8.00 (# 571:10 Unique 1.96, 3.43 A)
&rst
ixpk= 571, nxpk= 10, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1962,1963,
&end
#
# 14 GLU HN 13 PHE HN 6.00 (# 572:10 Unique 2.82, 2.97 A)
&rst
ixpk= 572, nxpk= 10, iat= 238, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 PHE HD 13 PHE HN 8.00 (# 573:10 Unique 2.73, 4.41 A)
&rst
ixpk= 573, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 226, 234,
&end
#
# 12 THR HA 13 PHE HN 6.00 (# 574:10 Unique 2.41, 2.55 A)
&rst
ixpk= 574, nxpk= 10, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 PHE HB+ 13 PHE HN 6.00 (# 575:10 Unique 2.06, 2.64 A)
&rst
ixpk= 575, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 222, 223,
&end
#
# 13 PHE HB- 13 PHE HN 6.00 (# 576:10 Unique 2.06, 2.64 A)
&rst
ixpk= 576, nxpk= 10, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 222, 223,
&end
#
# 13 PHE HD 14 GLU HN 8.00 (# 577:10 Unique 2.83, 4.83 A)
&rst
ixpk= 577, nxpk= 10, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 226, 234,
&end
#
# 0 AMB 10-2:578 14 GLU HN 8.00 (# 578:10 Single Ambig)
&rst
ixpk= 578, nxpk= 10, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 220, 255,
&end
#
# 14 GLU HG+ 14 GLU HN 8.00 (# 579:10 Unique 2.32, 2.97 A)
&rst
ixpk= 579, nxpk= 10, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 245, 246,
&end
#
# 0 AMB 10-2:580 14 GLU HN 8.00 (# 580:10 Single Ambig)
&rst
ixpk= 580, nxpk= 10, iat= -1, 238, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 210, 211, 212, 184, 185,
&end
#
# 14 GLU HN 15 GLN HN 6.00 (# 581:10 Unique 2.97, 3.13 A)
&rst
ixpk= 581, nxpk= 10, iat= 238, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ARG HN 15 GLN HN 6.00 (# 582:10 Unique 2.71, 2.88 A)
&rst
ixpk= 582, nxpk= 10, iat= 270, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 GLN HA 15 GLN HN 6.00 (# 583:10 Unique 2.74, 2.78 A)
&rst
ixpk= 583, nxpk= 10, iat= 255, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 GLU HA 15 GLN HN 8.00 (# 584:10 Unique 3.55, 3.56 A)
&rst
ixpk= 584, nxpk= 10, iat= 240, 253, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:585 15 GLN HN 8.00 (# 585:10 Single Ambig)
&rst
ixpk= 585, nxpk= 10, iat= -1, 253, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 314, 315, 314, 315,
&end
#
# 15 GLN HB- 15 GLN HN 6.00 (# 586:10 Unique 2.29, 2.96 A)
&rst
ixpk= 586, nxpk= 10, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 257, 258,
&end
#
# 14 GLU HB+ 15 GLN HN 6.00 (# 587:10 Unique 1.95, 2.40 A)
&rst
ixpk= 587, nxpk= 10, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 242, 243,
&end
#
# 16 ARG HA 16 ARG HN 8.00 (# 588:10 Unique 2.68, 2.78 A)
&rst
ixpk= 588, nxpk= 10, iat= 272, 270, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 15 GLN HB+ 16 ARG HN 8.00 (# 589:10 Unique 2.22, 2.96 A)
&rst
ixpk= 589, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 257, 258,
&end
#
# 18 GLU HN 17 VAL HN 8.00 (# 590:10 Unique 2.70, 2.87 A)
&rst
ixpk= 590, nxpk= 10, iat= 310, 294, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 17 VAL HA 17 VAL HN 6.00 (# 591:10 Unique 2.80, 2.81 A)
&rst
ixpk= 591, nxpk= 10, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 VAL HB 17 VAL HN 6.00 (# 592:10 Unique 2.30, 2.37 A)
&rst
ixpk= 592, nxpk= 10, iat= 298, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 VAL MGX 17 VAL HN 8.00 (# 593:10 Unique 2.16, 3.89 A)
&rst
ixpk= 593, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 300, 301, 302, 304, 305, 306,
&end
#
# 19 ASP HA 18 GLU HN 8.00 (# 594:10 Unique 5.38, 5.51 A)
&rst
ixpk= 594, nxpk= 10, iat= 327, 310, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 15 GLN HA 18 GLU HN 6.00 (# 595:10 Unique 3.42, 3.67 A)
&rst
ixpk= 595, nxpk= 10, iat= 255, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:596 18 GLU HN 8.00 (# 596:10 Single Ambig)
&rst
ixpk= 596, nxpk= 10, iat= -1, 310, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 329, 330, 329, 330, 363, 364,
&end
#
# 0 AMB 10-2:598 109 LEU HN 6.00 (# 598:10 Single Ambig)
&rst
ixpk= 598, nxpk= 10, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1827,1828, 565, 566,
&end
#
# 0 AMB 10-2:599 19 ASP HN 6.00 (# 599:10 Single Ambig)
&rst
ixpk= 599, nxpk= 10, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 314, 315, 314, 315,
&end
#
# 19 ASP HA 20 VAL HN 8.00 (# 600:10 Unique 3.54, 3.56 A)
&rst
ixpk= 600, nxpk= 10, iat= 327, 337, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 20 VAL MGY 20 VAL HN 8.00 (# 601:10 Unique 2.09, 3.89 A)
&rst
ixpk= 601, nxpk= 10, iat= -1, 337, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 21 ARG HG- 21 ARG HN 8.00 (# 603:10 Unique 3.34, 3.95 A)
&rst
ixpk= 603, nxpk= 10, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 360, 361,
&end
#
# 20 VAL MGX 21 ARG HN 8.00 (# 604:10 Unique 3.21, 4.78 A)
&rst
ixpk= 604, nxpk= 10, iat= -1, 353, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 24 ARG HN 22 LEU HN 8.00 (# 606:10 Unique 4.13, 4.28 A)
&rst
ixpk= 606, nxpk= 10, iat= 415, 377, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 19 ASP HA 22 LEU HN 8.00 (# 607:10 Unique 3.91, 4.12 A)
&rst
ixpk= 607, nxpk= 10, iat= 327, 377, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 18 GLU HA 22 LEU HN 8.00 (# 608:10 Unique 3.59, 3.87 A)
&rst
ixpk= 608, nxpk= 10, iat= 312, 377, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 21 ARG HA 22 LEU HN 8.00 (# 609:10 Unique 3.56, 3.56 A)
&rst
ixpk= 609, nxpk= 10, iat= 355, 377, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:610 22 LEU HN 8.00 (# 610:10 Single Ambig)
&rst
ixpk= 610, nxpk= 10, iat= -1, 377, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 363, 364, 339, 329, 330,
&end
#
# 0 AMB 10-2:611 23 ILE HN 6.00 (# 611:10 Single Ambig)
&rst
ixpk= 611, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 377, 353,
&end
#
# 0 AMB 10-2:612 23 ILE HN 6.00 (# 612:10 Single Ambig)
&rst
ixpk= 612, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 398, 379,
&end
#
# 0 AMB 10-2:613 23 ILE HN 8.00 (# 613:10 Single Ambig)
&rst
ixpk= 613, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 339, 329, 330, 329, 330,
&end
#
# 0 AMB 10-2:614 23 ILE HN 4.50 (# 614:10 Single Ambig)
&rst
ixpk= 614, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 384, 400,
&end
#
# 23 ILE HG1- 23 ILE HN 8.00 (# 615:10 Unique 4.13, 4.44 A)
&rst
ixpk= 615, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 406, 407,
&end
#
# 23 ILE QD1 23 ILE HN 6.00 (# 616:10 Unique 4.29, 5.32 A)
&rst
ixpk= 616, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 409, 410, 411,
&end
#
# 23 ILE HG1+ 23 ILE HN 8.00 (# 617:10 Unique 4.13, 4.44 A)
&rst
ixpk= 617, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 406, 407,
&end
#
# 0 AMB 10-2:618 24 ARG HN 8.00 (# 618:10 Single Ambig)
&rst
ixpk= 618, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 377, 353,
&end
#
# 25 GLU HN 24 ARG HN 6.00 (# 619:10 Unique 2.36, 2.48 A)
&rst
ixpk= 619, nxpk= 10, iat= 439, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 ARG HA 24 ARG HN 6.00 (# 620:10 Unique 2.86, 2.88 A)
&rst
ixpk= 620, nxpk= 10, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 ARG HA 24 ARG HN 8.00 (# 621:10 Unique 3.44, 3.64 A)
&rst
ixpk= 621, nxpk= 10, iat= 355, 415, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:622 24 ARG HN 8.00 (# 622:10 Single Ambig)
&rst
ixpk= 622, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 339, 363, 364, 329, 330,
&end
#
# 0 AMB 10-2:623 24 ARG HN 8.00 (# 623:10 Single Ambig)
&rst
ixpk= 623, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 461, 462, 443, 444, 443, 444,
&end
#
# 24 ARG HG- 24 ARG HN 6.00 (# 624:10 Unique 2.74, 3.31 A)
&rst
ixpk= 624, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 422, 423,
&end
#
# 0 AMB 10-2:625 24 ARG HN 8.00 (# 625:10 Single Ambig)
&rst
ixpk= 625, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 409, 410, 411, 343, 344, 345, 347, 348, 349,
&end
#
# 0 AMB 10-2:626 24 ARG HN 8.00 (# 626:10 Single Ambig)
&rst
ixpk= 626, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 343, 344, 345, 347, 348, 349, 936, 937, 938, 940,
941, 942,
&end
#
# 23 ILE HN 25 GLU HN 8.00 (# 627:10 Unique 3.66, 3.89 A)
&rst
ixpk= 627, nxpk= 10, iat= 396, 439, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 27 HIS HN 25 GLU HN 8.00 (# 628:10 Unique 3.49, 3.73 A)
&rst
ixpk= 628, nxpk= 10, iat= 471, 439, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 21 ARG HG+ 25 GLU HN 8.00 (# 629:10 Unique 5.43, 6.68 A)
&rst
ixpk= 629, nxpk= 10, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 360, 361,
&end
#
# 0 AMB 10-2:630 25 GLU HN 8.00 (# 630:10 Single Ambig)
&rst
ixpk= 630, nxpk= 10, iat= -1, 439, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
igr1= 402, 403, 404, 386, 387, 388, 390, 391, 392,
&end
#
# 0 AMB 10-2:631 26 GLN HN 6.00 (# 631:10 Single Ambig)
&rst
ixpk= 631, nxpk= 10, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 398, 379,
&end
#
# 23 ILE QD1 26 GLN HN 8.00 (# 632:10 Unique 5.06, 6.87 A)
&rst
ixpk= 632, nxpk= 10, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 409, 410, 411,
&end
#
# 26 GLN HN 27 HIS HN 4.50 (# 634:10 Unique 2.11, 2.38 A)
&rst
ixpk= 634, nxpk= 10, iat= 454, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 HIS HD2 27 HIS HN 8.00 (# 635:10 Unique 2.45, 4.53 A)
&rst
ixpk= 635, nxpk= 10, iat= 485, 471, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 27 HIS HA 27 HIS HN 6.00 (# 636:10 Unique 2.94, 2.97 A)
&rst
ixpk= 636, nxpk= 10, iat= 473, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 PRO HD+ 27 HIS HN 8.00 (# 637:10 Unique 2.76, 3.67 A)
&rst
ixpk= 637, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 490, 491,
&end
#
# 28 PRO HD- 27 HIS HN 8.00 (# 638:10 Unique 2.76, 3.67 A)
&rst
ixpk= 638, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 490, 491,
&end
#
# 27 HIS HB+ 27 HIS HN 6.00 (# 639:10 Unique 2.63, 3.30 A)
&rst
ixpk= 639, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 475, 476,
&end
#
# 26 GLN HG- 27 HIS HN 6.00 (# 641:10 Unique 1.85, 2.71 A)
&rst
ixpk= 641, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 461, 462,
&end
#
# 26 GLN HB- 27 HIS HN 6.00 (# 642:10 Unique 3.17, 3.96 A)
&rst
ixpk= 642, nxpk= 10, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 458, 459,
&end
#
# 29 THR HA 29 THR HN 6.00 (# 643:10 Unique 2.89, 2.93 A)
&rst
ixpk= 643, nxpk= 10, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 THR HB 29 THR HN 8.00 (# 644:10 Unique 3.50, 3.63 A)
&rst
ixpk= 644, nxpk= 10, iat= 507, 503, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 28 PRO HD+ 29 THR HN 8.00 (# 645:10 Unique 2.66, 3.35 A)
&rst
ixpk= 645, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 490, 491,
&end
#
# 0 AMB 10-2:647 29 THR HN 8.00 (# 647:10 Single Ambig)
&rst
ixpk= 647, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 493, 494, 493, 494,
&end
#
# 29 THR HB 30 LYS HN 8.00 (# 648:10 Unique 4.18, 4.38 A)
&rst
ixpk= 648, nxpk= 10, iat= 507, 517, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:649 30 LYS HN 8.00 (# 649:10 Single Ambig)
&rst
ixpk= 649, nxpk= 10, iat= -1, 517, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 475, 476, 530, 531, 530, 531,
&end
#
# 27 HIS HB- 30 LYS HN 8.00 (# 650:10 Unique 3.90, 5.00 A)
&rst
ixpk= 650, nxpk= 10, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 475, 476,
&end
#
# 31 ILE HG1- 30 LYS HN 8.00 (# 651:10 Unique 3.99, 5.05 A)
&rst
ixpk= 651, nxpk= 10, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 549, 550,
&end
#
# 56 ASP HN 31 ILE HN 8.00 (# 653:10 Unique 1.77, 2.83 A)
&rst
ixpk= 653, nxpk= 10, iat= 976, 539, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 55 PRO HA 31 ILE HN 8.00 (# 655:10 Unique 3.60, 3.99 A)
&rst
ixpk= 655, nxpk= 10, iat= 972, 539, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 31 ILE HA 31 ILE HN 8.00 (# 656:10 Unique 2.93, 2.94 A)
&rst
ixpk= 656, nxpk= 10, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 54 VAL HB 31 ILE HN 8.00 (# 657:10 Unique 3.92, 4.26 A)
&rst
ixpk= 657, nxpk= 10, iat= 950, 539, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:659 31 ILE HN 6.00 (# 659:10 Single Ambig)
&rst
ixpk= 659, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 549, 550, 931, 932,
&end
#
# 95 ILE QD1 31 ILE HN 8.00 (# 660:10 Unique 4.89, 6.63 A)
&rst
ixpk= 660, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1625,1626,1627,
&end
#
# 52 PHE HN 33 VAL HN 8.00 (# 661:10 Unique 2.97, 3.84 A)
&rst
ixpk= 661, nxpk= 10, iat= 907, 572, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 129 TYR HH 33 VAL HN 8.00 (# 662:10 Unique 5.59, 7.19 A)
&rst
ixpk= 662, nxpk= 10, iat=2133, 572, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:663 33 VAL HN 8.00 (# 663:10 Single Ambig)
&rst
ixpk= 663, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 565, 566,1827,1828,
&end
#
# 53 LEU MDY 33 VAL HN 8.00 (# 664:10 Unique 2.39, 4.87 A)
&rst
ixpk= 664, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 936, 937, 938, 940, 941, 942,
&end
#
# 34 ILE HA 34 ILE HN 8.00 (# 665:10 Unique 2.93, 2.96 A)
&rst
ixpk= 665, nxpk= 10, iat= 590, 588, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 33 VAL HB 34 ILE HN 6.00 (# 667:10 Unique 2.62, 3.75 A)
&rst
ixpk= 667, nxpk= 10, iat= 576, 588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE QG2 34 ILE HN 8.00 (# 668:10 Unique 4.03, 4.64 A)
&rst
ixpk= 668, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 594, 595, 596,
&end
#
# 34 ILE HG1- 34 ILE HN 8.00 (# 669:10 Unique 2.09, 3.33 A)
&rst
ixpk= 669, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 598, 599,
&end
#
# 34 ILE QD1 34 ILE HN 8.00 (# 670:10 Unique 2.08, 4.16 A)
&rst
ixpk= 670, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 601, 602, 603,
&end
#
# 34 ILE HB 35 ILE HN 8.00 (# 672:10 Unique 3.70, 4.25 A)
&rst
ixpk= 672, nxpk= 10, iat= 592, 607, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:673 35 ILE HN 8.00 (# 673:10 Single Ambig)
&rst
ixpk= 673, nxpk= 10, iat= -1, 607, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
&end
#
# 111 MET HN 36 GLU HN 8.00 (# 674:10 Unique 3.49, 4.31 A)
&rst
ixpk= 674, nxpk= 10, iat=1863, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 37 ARG HN 36 GLU HN 8.00 (# 675:10 Unique 4.21, 4.37 A)
&rst
ixpk= 675, nxpk= 10, iat= 641, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 112 VAL HN 36 GLU HN 8.00 (# 676:10 Unique 4.56, 4.94 A)
&rst
ixpk= 676, nxpk= 10, iat=1880, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 113 TYR HN 36 GLU HN 8.00 (# 677:10 Unique 2.85, 3.41 A)
&rst
ixpk= 677, nxpk= 10, iat=1896, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 112 VAL HA 36 GLU HN 6.00 (# 678:10 Unique 2.15, 2.87 A)
&rst
ixpk= 678, nxpk= 10, iat=1882, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:679 36 GLU HN 6.00 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 630, 631,1867,1868,1867,1868,1884,
&end
#
# 35 ILE HB 36 GLU HN 8.00 (# 680:10 Unique 3.35, 4.30 A)
&rst
ixpk= 680, nxpk= 10, iat= 611, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 35 ILE HG1- 36 GLU HN 8.00 (# 681:10 Unique 2.56, 3.62 A)
&rst
ixpk= 681, nxpk= 10, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 617, 618,
&end
#
# 81 LEU MDY 36 GLU HN 6.00 (# 682:10 Unique 5.31, 7.27 A)
&rst
ixpk= 682, nxpk= 10, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1418,1419,1420,1422,1423,1424,
&end
#
# 34 ILE QG2 36 GLU HN 8.00 (# 683:10 Unique 3.09, 4.88 A)
&rst
ixpk= 683, nxpk= 10, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 594, 595, 596,
&end
#
# 0 AMB 10-2:684 37 ARG HN 8.00 (# 684:10 Single Ambig)
&rst
ixpk= 684, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 740, 741, 773, 774,
&end
#
# 37 ARG HG- 37 ARG HN 8.00 (# 685:10 Unique 1.95, 3.72 A)
&rst
ixpk= 685, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 648, 649,
&end
#
# 39 LYS HN 38 TYR HN 8.00 (# 686:10 Unique 4.33, 4.54 A)
&rst
ixpk= 686, nxpk= 10, iat= 686, 665, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 113 TYR HN 38 TYR HN 6.00 (# 687:10 Unique 2.49, 3.01 A)
&rst
ixpk= 687, nxpk= 10, iat=1896, 665, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 TYR HD 38 TYR HN 6.00 (# 688:10 Unique 1.77, 3.41 A)
&rst
ixpk= 688, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 673, 682,
&end
#
# 0 AMB 10-2:689 38 TYR HN 8.00 (# 689:10 Single Ambig)
&rst
ixpk= 689, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1904,1913,1950,1951,
&end
#
# 37 ARG HG- 38 TYR HN 8.00 (# 690:10 Unique 2.42, 3.98 A)
&rst
ixpk= 690, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 648, 649,
&end
#
# 38 TYR HN 39 LYS HN 8.00 (# 691:10 Unique 4.33, 4.54 A)
&rst
ixpk= 691, nxpk= 10, iat= 665, 686, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:692 39 LYS HN 8.00 (# 692:10 Single Ambig)
&rst
ixpk= 692, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 669, 670, 743, 744,
&end
#
# 39 LYS HA 40 GLY HN 6.00 (# 694:10 Unique 2.14, 2.84 A)
&rst
ixpk= 694, nxpk= 10, iat= 688, 708, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 LYS HG- 40 GLY HN 8.00 (# 696:10 Unique 2.55, 4.51 A)
&rst
ixpk= 696, nxpk= 10, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 693, 694,
&end
#
# 42 LYS HN 43 GLN HN 6.00 (# 697:10 Unique 2.43, 3.16 A)
&rst
ixpk= 697, nxpk= 10, iat= 730, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 GLU HA 43 GLN HN 8.00 (# 698:10 Unique 3.81, 4.29 A)
&rst
ixpk= 698, nxpk= 10, iat= 717, 752, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 44 LEU HG 43 GLN HN 6.00 (# 699:10 Unique 3.98, 4.66 A)
&rst
ixpk= 699, nxpk= 10, iat= 776, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:700 43 GLN HN 8.00 (# 700:10 Single Ambig)
&rst
ixpk= 700, nxpk= 10, iat= -1, 752, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 734, 735, 773, 774,
&end
#
# 0 AMB 10-2:701 43 GLN HN 8.00 (# 701:10 Single Ambig)
&rst
ixpk= 701, nxpk= 10, iat= -1, 752, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1= 645, 646, 737, 738,1921,1922,1923,
&end
#
# 43 GLN HA 44 LEU HN 8.00 (# 702:10 Unique 3.51, 3.56 A)
&rst
ixpk= 702, nxpk= 10, iat= 754, 769, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 44 LEU HB- 44 LEU HN 6.00 (# 703:10 Unique 2.47, 3.11 A)
&rst
ixpk= 703, nxpk= 10, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 773, 774,
&end
#
# 46 VAL HA 46 VAL HN 6.00 (# 704:10 Unique 2.90, 2.92 A)
&rst
ixpk= 704, nxpk= 10, iat= 804, 802, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 LEU HA 47 LEU HN 8.00 (# 706:10 Unique 2.76, 2.86 A)
&rst
ixpk= 706, nxpk= 10, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:707 47 LEU HN 8.00 (# 707:10 Single Ambig)
&rst
ixpk= 707, nxpk= 10, iat= -1, 818, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1258,1259,1260,1262,1263,1264,1294,1295,1296,1298,
1299,1300,
&end
#
# 49 LYS HN 48 ASP HN 6.00 (# 708:10 Unique 1.66, 3.41 A)
&rst
ixpk= 708, nxpk= 10, iat= 849, 837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 ASP HA 48 ASP HN 6.00 (# 710:10 Unique 2.75, 2.85 A)
&rst
ixpk= 710, nxpk= 10, iat= 839, 837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:711 48 ASP HN 6.00 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 28, 29,2054,2055,
&end
#
# 48 ASP HB+ 49 LYS HN 8.00 (# 712:10 Unique 1.90, 4.12 A)
&rst
ixpk= 712, nxpk= 10, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 841, 842,
&end
#
# 49 LYS HB- 49 LYS HN 6.00 (# 713:10 Unique 2.42, 3.18 A)
&rst
ixpk= 713, nxpk= 10, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 853, 854,
&end
#
# 50 THR HB 50 THR HN 6.00 (# 714:10 Unique 2.42, 3.06 A)
&rst
ixpk= 714, nxpk= 10, iat= 875, 871, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:715 50 THR HN 8.00 (# 715:10 Single Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1, 871, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 895, 896, 856, 857, 856, 857,
&end
#
# 52 PHE HD 51 LYS HN 6.00 (# 716:10 Unique 4.54, 7.04 A)
&rst
ixpk= 716, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 915, 923,
&end
#
# 0 AMB 10-2:718 51 LYS HN 6.00 (# 718:10 Single Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 887, 851,
&end
#
# 50 THR HB 51 LYS HN 8.00 (# 719:10 Unique 1.85, 3.04 A)
&rst
ixpk= 719, nxpk= 10, iat= 875, 885, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:720 51 LYS HN 8.00 (# 720:10 Single Ambig)
&rst
ixpk= 720, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 853, 854, 163, 164,
&end
#
# 0 AMB 10-2:721 51 LYS HN 6.00 (# 721:10 Single Ambig)
&rst
ixpk= 721, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 889, 890, 877, 878, 879,
&end
#
# 51 LYS HG+ 51 LYS HN 8.00 (# 722:10 Unique 1.84, 3.76 A)
&rst
ixpk= 722, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 892, 893,
&end
#
# 33 VAL HN 52 PHE HN 8.00 (# 723:10 Unique 2.97, 3.84 A)
&rst
ixpk= 723, nxpk= 10, iat= 572, 907, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 51 LYS HN 52 PHE HN 8.00 (# 724:10 Unique 4.01, 4.40 A)
&rst
ixpk= 724, nxpk= 10, iat= 885, 907, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 52 PHE HA 52 PHE HN 8.00 (# 725:10 Unique 2.91, 2.94 A)
&rst
ixpk= 725, nxpk= 10, iat= 909, 907, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 34 ILE HA 52 PHE HN 8.00 (# 726:10 Unique 2.55, 3.16 A)
&rst
ixpk= 726, nxpk= 10, iat= 590, 907, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 52 PHE HB- 52 PHE HN 6.00 (# 727:10 Unique 2.59, 3.37 A)
&rst
ixpk= 727, nxpk= 10, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 911, 912,
&end
#
# 0 AMB 10-2:728 52 PHE HN 8.00 (# 728:10 Single Ambig)
&rst
ixpk= 728, nxpk= 10, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 898, 899, 576,
&end
#
# 0 AMB 10-2:729 52 PHE HN 8.00 (# 729:10 Single Ambig)
&rst
ixpk= 729, nxpk= 10, iat= -1, 907, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584, 931, 932,
&end
#
# 34 ILE QD1 52 PHE HN 8.00 (# 730:10 Unique 3.31, 6.62 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 601, 602, 603,
&end
#
# 52 PHE HD 53 LEU HN 8.00 (# 731:10 Unique 1.87, 4.27 A)
&rst
ixpk= 731, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 915, 923,
&end
#
# 52 PHE HB+ 53 LEU HN 6.00 (# 733:10 Unique 2.33, 3.62 A)
&rst
ixpk= 733, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 911, 912,
&end
#
# 131 VAL HB 53 LEU HN 8.00 (# 734:10 Unique 1.99, 2.31 A)
&rst
ixpk= 734, nxpk= 10, iat=2160, 927, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:735 53 LEU HN 8.00 (# 735:10 Single Ambig)
&rst
ixpk= 735, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1=2176,2177,2210, 611, 543, 565, 566,
&end
#
# 53 LEU HG 53 LEU HN 8.00 (# 736:10 Unique 2.24, 3.72 A)
&rst
ixpk= 736, nxpk= 10, iat= 934, 927, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 53 LEU MDX 53 LEU HN 8.00 (# 737:10 Unique 3.25, 5.07 A)
&rst
ixpk= 737, nxpk= 10, iat= -1, 927, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 936, 937, 938, 940, 941, 942,
&end
#
# 30 LYS HA 54 VAL HN 8.00 (# 739:10 Unique 4.08, 4.58 A)
&rst
ixpk= 739, nxpk= 10, iat= 519, 946, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 53 LEU HB+ 54 VAL HN 8.00 (# 740:10 Unique 2.49, 3.50 A)
&rst
ixpk= 740, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 931, 932,
&end
#
# 53 LEU HG 54 VAL HN 6.00 (# 741:10 Unique 3.54, 4.15 A)
&rst
ixpk= 741, nxpk= 10, iat= 934, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 ASP HN 57 HIS HN 6.00 (# 742:10 Unique 2.91, 3.22 A)
&rst
ixpk= 742, nxpk= 10, iat= 976, 988, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:743 57 HIS HN 8.00 (# 743:10 Single Ambig)
&rst
ixpk= 743, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 972,1608,
&end
#
# 56 ASP HA 57 HIS HN 8.00 (# 744:10 Unique 2.45, 2.61 A)
&rst
ixpk= 744, nxpk= 10, iat= 978, 988, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 55 PRO HB+ 57 HIS HN 8.00 (# 746:10 Unique 3.92, 5.06 A)
&rst
ixpk= 746, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 969, 970,
&end
#
# 55 PRO HB- 57 HIS HN 8.00 (# 747:10 Unique 3.92, 5.06 A)
&rst
ixpk= 747, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 969, 970,
&end
#
# 0 AMB 10-2:748 57 HIS HN 8.00 (# 748:10 Single Ambig)
&rst
ixpk= 748, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1618,1619,1620, 549, 550,
&end
#
# 0 AMB 10-2:749 57 HIS HN 6.00 (# 749:10 Single Ambig)
&rst
ixpk= 749, nxpk= 10, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1012,1013,1014,1016,1017,1018,1625,1626,1627,
&end
#
# 96 SER HN 97 GLU HN 6.00 (# 750:10 Unique 2.84, 2.97 A)
&rst
ixpk= 750, nxpk= 10, iat=1631,1642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 ASN HB- 59 ASN HN 8.00 (# 751:10 Unique 2.53, 3.25 A)
&rst
ixpk= 751, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1026,1027,
&end
#
# 0 AMB 10-2:753 60 MET HN 6.00 (# 753:10 Single Ambig)
&rst
ixpk= 753, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1517,1518,1010,
&end
#
# 0 AMB 10-2:754 60 MET HN 8.00 (# 754:10 Single Ambig)
&rst
ixpk= 754, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,
&end
#
# 91 VAL HA 61 SER HN 8.00 (# 757:10 Unique 5.39, 6.66 A)
&rst
ixpk= 757, nxpk= 10, iat=1559,1053, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 59 ASN HB+ 61 SER HN 8.00 (# 758:10 Unique 2.82, 3.77 A)
&rst
ixpk= 758, nxpk= 10, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1026,1027,
&end
#
# 61 SER HA 62 GLU HN 6.00 (# 759:10 Unique 3.51, 3.55 A)
&rst
ixpk= 759, nxpk= 10, iat=1055,1064, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 MET HB- 62 GLU HN 8.00 (# 762:10 Unique 4.49, 5.20 A)
&rst
ixpk= 762, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1040,1041,
&end
#
# 63 LEU HB- 62 GLU HN 8.00 (# 763:10 Unique 4.56, 5.80 A)
&rst
ixpk= 763, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1083,1084,
&end
#
# 0 AMB 10-2:764 62 GLU HN 8.00 (# 764:10 Single Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1111,1112,1113,1104,1105,1106,
&end
#
# 63 LEU HG 63 LEU HN 6.00 (# 765:10 Unique 1.89, 2.56 A)
&rst
ixpk= 765, nxpk= 10, iat=1086,1079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 SER HA 64 ILE HN 8.00 (# 766:10 Unique 3.54, 3.90 A)
&rst
ixpk= 766, nxpk= 10, iat=1055,1098, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:767 64 ILE HN 8.00 (# 767:10 Single Ambig)
&rst
ixpk= 767, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1081,1066,
&end
#
# 63 LEU HG 64 ILE HN 6.00 (# 768:10 Unique 1.95, 2.73 A)
&rst
ixpk= 768, nxpk= 10, iat=1086,1098, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:769 65 LYS HN 6.00 (# 769:10 Single Ambig)
&rst
ixpk= 769, nxpk= 10, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1098,1158,
&end
#
# 64 ILE HA 65 LYS HN 8.00 (# 771:10 Unique 3.51, 3.54 A)
&rst
ixpk= 771, nxpk= 10, iat=1100,1117, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 66 ILE HA 67 ILE HN 8.00 (# 772:10 Unique 3.52, 3.54 A)
&rst
ixpk= 772, nxpk= 10, iat=1141,1158, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:773 67 ILE HN 6.00 (# 773:10 Single Ambig)
&rst
ixpk= 773, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1152,1153,1154,1088,1089,1090,1092,1093,1094,
&end
#
# 65 LYS HA 68 ARG HN 8.00 (# 774:10 Unique 3.22, 3.49 A)
&rst
ixpk= 774, nxpk= 10, iat=1119,1177, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:775 68 ARG HN 4.50 (# 775:10 Single Ambig)
&rst
ixpk= 775, nxpk= 10, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1181,1182,1181,1182,
&end
#
# 68 ARG HG- 68 ARG HN 6.00 (# 776:10 Unique 4.00, 4.41 A)
&rst
ixpk= 776, nxpk= 10, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1184,1185,
&end
#
# 65 LYS HA 69 ARG HN 8.00 (# 778:10 Unique 3.75, 4.36 A)
&rst
ixpk= 778, nxpk= 10, iat=1119,1201, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 66 ILE HA 69 ARG HN 8.00 (# 779:10 Unique 3.42, 3.68 A)
&rst
ixpk= 779, nxpk= 10, iat=1141,1201, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:780 69 ARG HN 8.00 (# 780:10 Single Ambig)
&rst
ixpk= 780, nxpk= 10, iat= -1,1201, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1211,1212,1211,1212,
&end
#
# 68 ARG HA 69 ARG HN 8.00 (# 781:10 Unique 3.52, 3.54 A)
&rst
ixpk= 781, nxpk= 10, iat=1179,1201, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 68 ARG HG- 69 ARG HN 8.00 (# 782:10 Unique 2.85, 4.18 A)
&rst
ixpk= 782, nxpk= 10, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1184,1185,
&end
#
# 73 LEU HN 71 LEU HN 8.00 (# 785:10 Unique 4.30, 5.34 A)
&rst
ixpk= 785, nxpk= 10, iat=1285,1249, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 72 GLN HA 71 LEU HN 8.00 (# 786:10 Unique 4.42, 4.72 A)
&rst
ixpk= 786, nxpk= 10, iat=1270,1249, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 67 ILE HA 71 LEU HN 8.00 (# 787:10 Unique 2.78, 3.75 A)
&rst
ixpk= 787, nxpk= 10, iat=1160,1249, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 68 ARG HA 71 LEU HN 8.00 (# 788:10 Unique 3.34, 3.82 A)
&rst
ixpk= 788, nxpk= 10, iat=1179,1249, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:789 71 LEU HN 8.00 (# 789:10 Single Ambig)
&rst
ixpk= 789, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1275,1276,1275,1276,1272,1273,
&end
#
# 47 LEU HB+ 71 LEU HN 8.00 (# 790:10 Unique 4.99, 6.34 A)
&rst
ixpk= 790, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 822, 823,
&end
#
# 0 AMB 10-2:791 71 LEU HN 8.00 (# 791:10 Single Ambig)
&rst
ixpk= 791, nxpk= 10, iat= -1,1249, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
832, 833,
&end
#
# 70 ARG HN 72 GLN HN 8.00 (# 792:10 Unique 3.53, 4.22 A)
&rst
ixpk= 792, nxpk= 10, iat=1225,1268, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:794 72 GLN HN 8.00 (# 794:10 Single Ambig)
&rst
ixpk= 794, nxpk= 10, iat= -1,1268, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1229,1230,1229,1230,1205,1206,
&end
#
# 0 AMB 10-2:795 72 GLN HN 8.00 (# 795:10 Single Ambig)
&rst
ixpk= 795, nxpk= 10, iat= -1,1268, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1292,1208,1209,1232,1233,
&end
#
# 0 AMB 10-2:796 72 GLN HN 8.00 (# 796:10 Single Ambig)
&rst
ixpk= 796, nxpk= 10, iat= -1,1268, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1258,1259,1260,1262,1263,1264,1294,1295,1296,1298,
1299,1300,
&end
#
# 67 ILE QG2 72 GLN HN 8.00 (# 797:10 Unique 5.56, 7.41 A)
&rst
ixpk= 797, nxpk= 10, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1164,1165,1166,
&end
#
# 0 AMB 10-2:798 73 LEU HN 8.00 (# 798:10 Single Ambig)
&rst
ixpk= 798, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1251,1227,
&end
#
# 72 GLN HA 73 LEU HN 6.00 (# 799:10 Unique 2.14, 2.62 A)
&rst
ixpk= 799, nxpk= 10, iat=1270,1285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 ARG HA 73 LEU HN 8.00 (# 800:10 Unique 4.28, 5.47 A)
&rst
ixpk= 800, nxpk= 10, iat=1179,1285, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:801 73 LEU HN 6.00 (# 801:10 Single Ambig)
&rst
ixpk= 801, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1272,1273,1275,1276,1275,1276,
&end
#
# 77 GLN HE2+ 74 ASN HN 8.00 (# 802:10 Unique 2.58, 6.37 A)
&rst
ixpk= 802, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1354,1355,
&end
#
# 74 ASN HD2+ 74 ASN HN 8.00 (# 803:10 Unique 2.75, 4.95 A)
&rst
ixpk= 803, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1313,1314,
&end
#
# 0 AMB 10-2:804 74 ASN HN 8.00 (# 804:10 Single Ambig)
&rst
ixpk= 804, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1285,1342,
&end
#
# 77 GLN HG- 74 ASN HN 8.00 (# 806:10 Unique 2.84, 4.37 A)
&rst
ixpk= 806, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1349,1350,
&end
#
# 0 AMB 10-2:807 74 ASN HN 8.00 (# 807:10 Single Ambig)
&rst
ixpk= 807, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1346,1347,1272,1273,
&end
#
# 77 GLN HB- 74 ASN HN 8.00 (# 808:10 Unique 2.18, 3.91 A)
&rst
ixpk= 808, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1346,1347,
&end
#
# 0 AMB 10-2:809 74 ASN HN 8.00 (# 809:10 Single Ambig)
&rst
ixpk= 809, nxpk= 10, iat= -1,1304, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1294,1295,1296,1298,1299,1300,1184,1185,
&end
#
# 75 ALA HA 75 ALA HN 8.00 (# 810:10 Unique 2.79, 2.84 A)
&rst
ixpk= 810, nxpk= 10, iat=1320,1318, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 74 ASN HB+ 75 ALA HN 8.00 (# 811:10 Unique 1.91, 3.18 A)
&rst
ixpk= 811, nxpk= 10, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1308,1309,
&end
#
# 74 ASN HB- 75 ALA HN 8.00 (# 812:10 Unique 1.91, 3.18 A)
&rst
ixpk= 812, nxpk= 10, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1308,1309,
&end
#
# 75 ALA HA 76 ASN HN 8.00 (# 813:10 Unique 3.24, 3.42 A)
&rst
ixpk= 813, nxpk= 10, iat=1320,1328, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 77 GLN HB+ 76 ASN HN 8.00 (# 815:10 Unique 3.71, 4.86 A)
&rst
ixpk= 815, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1346,1347,
&end
#
# 0 AMB 10-2:816 77 GLN HN 8.00 (# 816:10 Single Ambig)
&rst
ixpk= 816, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1318,1359,
&end
#
# 75 ALA HA 77 GLN HN 8.00 (# 818:10 Unique 3.70, 4.83 A)
&rst
ixpk= 818, nxpk= 10, iat=1320,1342, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:819 77 GLN HN 6.00 (# 819:10 Single Ambig)
&rst
ixpk= 819, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1308,1309,1332,1333,1332,1333,
&end
#
# 77 GLN HG- 77 GLN HN 6.00 (# 820:10 Unique 2.73, 4.28 A)
&rst
ixpk= 820, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1349,1350,
&end
#
# 77 GLN HB+ 77 GLN HN 6.00 (# 821:10 Unique 2.07, 2.61 A)
&rst
ixpk= 821, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1346,1347,
&end
#
# 0 AMB 10-2:822 77 GLN HN 8.00 (# 822:10 Single Ambig)
&rst
ixpk= 822, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1289,1290,1322,1323,1324,
&end
#
# 0 AMB 10-2:825 78 ALA HN 8.00 (# 825:10 Single Ambig)
&rst
ixpk= 825, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1369,1342,1337,1338,1285,
&end
#
# 77 GLN HE2- 78 ALA HN 8.00 (# 826:10 Unique 1.84, 4.20 A)
&rst
ixpk= 826, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1354,1355,
&end
#
# 77 GLN HG- 78 ALA HN 8.00 (# 829:10 Unique 2.06, 3.25 A)
&rst
ixpk= 829, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1349,1350,
&end
#
# 77 GLN HB+ 78 ALA HN 8.00 (# 830:10 Unique 2.67, 3.84 A)
&rst
ixpk= 830, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1346,1347,
&end
#
# 77 GLN HB- 78 ALA HN 6.00 (# 831:10 Unique 2.67, 3.84 A)
&rst
ixpk= 831, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1346,1347,
&end
#
# 78 ALA HN 79 PHE HN 8.00 (# 832:10 Unique 4.24, 4.55 A)
&rst
ixpk= 832, nxpk= 10, iat=1359,1369, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 80 PHE HN 79 PHE HN 8.00 (# 833:10 Unique 3.89, 4.29 A)
&rst
ixpk= 833, nxpk= 10, iat=1389,1369, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 80 PHE HE 79 PHE HN 8.00 (# 835:10 Unique 3.08, 5.44 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1399,1403,
&end
#
# 0 AMB 10-2:836 79 PHE HN 8.00 (# 836:10 Single Ambig)
&rst
ixpk= 836, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1377,1385,1397,1405,
&end
#
# 0 AMB 10-2:837 79 PHE HN 8.00 (# 837:10 Single Ambig)
&rst
ixpk= 837, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1931,1932,1344,
&end
#
# 0 AMB 10-2:838 79 PHE HN 8.00 (# 838:10 Single Ambig)
&rst
ixpk= 838, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1184,1185,1294,1295,1296,1298,1299,1300,
&end
#
# 79 PHE HN 80 PHE HN 8.00 (# 840:10 Unique 3.89, 4.29 A)
&rst
ixpk= 840, nxpk= 10, iat=1369,1389, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 113 TYR HD 80 PHE HN 8.00 (# 841:10 Unique 3.26, 5.61 A)
&rst
ixpk= 841, nxpk= 10, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1904,1913,
&end
#
# 79 PHE HA 80 PHE HN 3.50 (# 842:10 Unique 2.13, 2.24 A)
&rst
ixpk= 842, nxpk= 10, iat=1371,1389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 PHE HB- 80 PHE HN 8.00 (# 843:10 Unique 2.55, 3.92 A)
&rst
ixpk= 843, nxpk= 10, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1373,1374,
&end
#
# 0 AMB 10-2:844 80 PHE HN 8.00 (# 844:10 Single Ambig)
&rst
ixpk= 844, nxpk= 10, iat= -1,1389, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1921,1922,1923,1363,1364,1365,
&end
#
# 44 LEU MDX 80 PHE HN 8.00 (# 845:10 Unique 2.77, 5.02 A)
&rst
ixpk= 845, nxpk= 10, iat= -1,1389, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 778, 779, 780, 782, 783, 784,
&end
#
# 80 PHE HB+ 81 LEU HN 8.00 (# 846:10 Unique 2.57, 3.75 A)
&rst
ixpk= 846, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1393,1394,
&end
#
# 81 LEU HG 81 LEU HN 8.00 (# 847:10 Unique 2.60, 3.67 A)
&rst
ixpk= 847, nxpk= 10, iat=1416,1409, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 113 TYR HD 82 LEU HN 8.00 (# 848:10 Unique 3.54, 5.89 A)
&rst
ixpk= 848, nxpk= 10, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1904,1913,
&end
#
# 113 TYR HA 82 LEU HN 8.00 (# 849:10 Unique 2.24, 2.75 A)
&rst
ixpk= 849, nxpk= 10, iat=1898,1428, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:850 82 LEU HN 8.00 (# 850:10 Single Ambig)
&rst
ixpk= 850, nxpk= 10, iat= -1,1428, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1884,1867,1868,1867,1868,1047,1048,1049,
&end
#
# 81 LEU HB+ 82 LEU HN 8.00 (# 851:10 Unique 2.75, 4.08 A)
&rst
ixpk= 851, nxpk= 10, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1413,1414,
&end
#
# 86 HIS HN 83 VAL HN 6.00 (# 852:10 Unique 2.37, 2.78 A)
&rst
ixpk= 852, nxpk= 10, iat=1484,1447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 VAL HA 83 VAL HN 8.00 (# 853:10 Unique 2.90, 2.93 A)
&rst
ixpk= 853, nxpk= 10, iat=1449,1447, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:854 83 VAL HN 8.00 (# 854:10 Single Ambig)
&rst
ixpk= 854, nxpk= 10, iat= -1,1447, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1520,1521,1520,1521,
&end
#
# 0 AMB 10-2:855 83 VAL HN 8.00 (# 855:10 Single Ambig)
&rst
ixpk= 855, nxpk= 10, iat= -1,1447, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1524,1525,1526,1517,1518,
&end
#
# 0 AMB 10-2:856 83 VAL HN 6.00 (# 856:10 Single Ambig)
&rst
ixpk= 856, nxpk= 10, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 85 GLY HN 84 ASN HN 6.00 (# 857:10 Unique 2.39, 2.51 A)
&rst
ixpk= 857, nxpk= 10, iat=1477,1463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 MET HA 84 ASN HN 8.00 (# 858:10 Unique 1.89, 2.18 A)
&rst
ixpk= 858, nxpk= 10, iat=1865,1463, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 82 LEU HA 84 ASN HN 6.00 (# 859:10 Unique 5.04, 5.25 A)
&rst
ixpk= 859, nxpk= 10, iat=1430,1463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 ASN HB+ 84 ASN HN 8.00 (# 861:10 Unique 3.10, 3.53 A)
&rst
ixpk= 861, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1467,1468,
&end
#
# 84 ASN HB- 84 ASN HN 8.00 (# 862:10 Unique 3.10, 3.53 A)
&rst
ixpk= 862, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1467,1468,
&end
#
# 83 VAL HB 84 ASN HN 8.00 (# 863:10 Unique 3.76, 4.44 A)
&rst
ixpk= 863, nxpk= 10, iat=1451,1463, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:864 84 ASN HN 6.00 (# 864:10 Single Ambig)
&rst
ixpk= 864, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,1432,1433,1832,1833,1834,1836,1837,1838,
&end
#
# 86 HIS HN 85 GLY HN 6.00 (# 865:10 Unique 2.01, 2.11 A)
&rst
ixpk= 865, nxpk= 10, iat=1484,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:866 85 GLY HN 8.00 (# 866:10 Single Ambig)
&rst
ixpk= 866, nxpk= 10, iat= -1,1477, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
&end
#
# 86 HIS HN 87 SER HN 8.00 (# 867:10 Unique 3.90, 3.99 A)
&rst
ixpk= 867, nxpk= 10, iat=1484,1502, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:868 87 SER HN 8.00 (# 868:10 Single Ambig)
&rst
ixpk= 868, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 10-2:869 88 MET HN 8.00 (# 869:10 Single Ambig)
&rst
ixpk= 869, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1530,1409,
&end
#
# 0 AMB 10-2:870 88 MET HN 6.00 (# 870:10 Single Ambig)
&rst
ixpk= 870, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1506,1507,1506,1507,
&end
#
# 0 AMB 10-2:871 88 MET HN 6.00 (# 871:10 Single Ambig)
&rst
ixpk= 871, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,1563,1564,1565,1567,1568,1569,1563,1564,
1565,1567,1568,1569,1432,1433,1108,1109,
&end
#
# 88 MET HN 89 VAL HN 8.00 (# 873:10 Unique 2.64, 3.14 A)
&rst
ixpk= 873, nxpk= 10, iat=1513,1530, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 86 HIS HA 89 VAL HN 8.00 (# 875:10 Unique 6.77, 7.11 A)
&rst
ixpk= 875, nxpk= 10, iat=1486,1530, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:877 89 VAL HN 6.00 (# 877:10 Single Ambig)
&rst
ixpk= 877, nxpk= 10, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1506,1507,1506,1507,
&end
#
# 0 AMB 10-2:878 89 VAL HN 8.00 (# 878:10 Single Ambig)
&rst
ixpk= 878, nxpk= 10, iat= -1,1530, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1520,1521,1520,1521,
&end
#
# 90 SER HA 90 SER HN 6.00 (# 880:10 Unique 2.91, 2.96 A)
&rst
ixpk= 880, nxpk= 10, iat=1548,1546, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 VAL HB 90 SER HN 8.00 (# 881:10 Unique 2.53, 3.25 A)
&rst
ixpk= 881, nxpk= 10, iat=1534,1546, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:882 90 SER HN 6.00 (# 882:10 Single Ambig)
&rst
ixpk= 882, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 91 VAL HA 91 VAL HN 8.00 (# 883:10 Unique 2.83, 2.92 A)
&rst
ixpk= 883, nxpk= 10, iat=1559,1557, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 65 LYS HA 66 ILE HN 8.00 (# 884:10 Unique 3.52, 3.57 A)
&rst
ixpk= 884, nxpk= 10, iat=1119,1139, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 88 MET HB+ 91 VAL HN 8.00 (# 885:10 Unique 3.52, 5.60 A)
&rst
ixpk= 885, nxpk= 10, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1517,1518,
&end
#
# 0 AMB 10-2:886 0 AMB 10-1:886 3.50 (# 886:10 Double Ambig)
&rst
ixpk= 886, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 357, 358,1121,1122,1143,
igr2= 353,1139,
&end
#
# 0 AMB 10-2:888 0 AMB 10-1:888 6.00 (# 888:10 Double Ambig)
&rst
ixpk= 888, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1127,1128,1127,1128, 360, 361,
igr2=1139, 353,
&end
#
# 93 THR HN 92 SER HN 8.00 (# 889:10 Unique 2.07, 2.83 A)
&rst
ixpk= 889, nxpk= 10, iat=1584,1573, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 91 VAL HA 92 SER HN 6.00 (# 891:10 Unique 2.20, 2.30 A)
&rst
ixpk= 891, nxpk= 10, iat=1559,1573, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 SER HB+ 92 SER HN 8.00 (# 892:10 Unique 2.62, 3.24 A)
&rst
ixpk= 892, nxpk= 10, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1577,1578,
&end
#
# 0 AMB 10-2:893 0 AMB 10-1:893 8.00 (# 893:10 Double Ambig)
&rst
ixpk= 893, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1577,1578, 296,
igr2=1573, 294,
&end
#
# 0 AMB 10-2:894 92 SER HN 6.00 (# 894:10 Single Ambig)
&rst
ixpk= 894, nxpk= 10, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
1568,1569,
&end
#
# 0 AMB 10-2:895 93 THR HN 8.00 (# 895:10 Single Ambig)
&rst
ixpk= 895, nxpk= 10, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1036,1557,
&end
#
# 91 VAL HA 93 THR HN 6.00 (# 897:10 Unique 3.90, 4.41 A)
&rst
ixpk= 897, nxpk= 10, iat=1559,1584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 MET HG+ 93 THR HN 8.00 (# 898:10 Unique 4.35, 5.33 A)
&rst
ixpk= 898, nxpk= 10, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1043,1044,
&end
#
# 0 AMB 10-2:899 93 THR HN 8.00 (# 899:10 Single Ambig)
&rst
ixpk= 899, nxpk= 10, iat= -1,1584, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1605,1606,1646,1647,1602,1603,
&end
#
# 0 AMB 10-2:902 95 ILE HN 6.00 (# 902:10 Single Ambig)
&rst
ixpk= 902, nxpk= 10, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1614,1635,1636,1635,1636,
&end
#
# 94 PRO HB+ 95 ILE HN 8.00 (# 903:10 Unique 2.23, 3.27 A)
&rst
ixpk= 903, nxpk= 10, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1605,1606,
&end
#
# 0 AMB 10-2:904 95 ILE HN 8.00 (# 904:10 Single Ambig)
&rst
ixpk= 904, nxpk= 10, iat= -1,1612, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1622,1623,1590,1591,1592,1086,
&end
#
# 95 ILE HG1+ 95 ILE HN 8.00 (# 905:10 Unique 3.93, 4.41 A)
&rst
ixpk= 905, nxpk= 10, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1622,1623,
&end
#
# 98 VAL MGY 95 ILE HN 8.00 (# 906:10 Unique 4.97, 6.92 A)
&rst
ixpk= 906, nxpk= 10, iat= -1,1612, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1663,1664,1665,1667,1668,1669,
&end
#
# 0 AMB 10-2:907 95 ILE HN 6.00 (# 907:10 Single Ambig)
&rst
ixpk= 907, nxpk= 10, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1012,1013,1014,1016,1017,1018,1088,1089,1090,1092,
1093,1094,1625,1626,1627,
&end
#
# 94 PRO HA 96 SER HN 8.00 (# 908:10 Unique 3.73, 3.91 A)
&rst
ixpk= 908, nxpk= 10, iat=1608,1631, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 56 ASP HA 96 SER HN 8.00 (# 909:10 Unique 4.40, 4.78 A)
&rst
ixpk= 909, nxpk= 10, iat= 978,1631, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 56 ASP HB+ 96 SER HN 8.00 (# 910:10 Unique 5.70, 6.90 A)
&rst
ixpk= 910, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 980, 981,
&end
#
# 0 AMB 10-2:911 96 SER HN 8.00 (# 911:10 Single Ambig)
&rst
ixpk= 911, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1616, 543,
&end
#
# 95 ILE QD1 96 SER HN 8.00 (# 912:10 Unique 5.00, 6.15 A)
&rst
ixpk= 912, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1625,1626,1627,
&end
#
# 31 ILE QD1 96 SER HN 8.00 (# 913:10 Unique 3.72, 5.67 A)
&rst
ixpk= 913, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 552, 553, 554,
&end
#
# 95 ILE HG1+ 98 VAL HN 8.00 (# 915:10 Unique 4.32, 4.86 A)
&rst
ixpk= 915, nxpk= 10, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1622,1623,
&end
#
# 97 GLU HA 99 TYR HN 8.00 (# 916:10 Unique 4.04, 4.33 A)
&rst
ixpk= 916, nxpk= 10, iat=1644,1673, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 95 ILE HG1- 99 TYR HN 8.00 (# 918:10 Unique 3.45, 4.35 A)
&rst
ixpk= 918, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1622,1623,
&end
#
# 95 ILE HG1+ 99 TYR HN 8.00 (# 919:10 Unique 3.45, 4.35 A)
&rst
ixpk= 919, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1622,1623,
&end
#
# 95 ILE QD1 99 TYR HN 8.00 (# 920:10 Unique 4.23, 6.10 A)
&rst
ixpk= 920, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1625,1626,1627,
&end
#
# 31 ILE QD1 99 TYR HN 6.00 (# 921:10 Unique 4.02, 5.65 A)
&rst
ixpk= 921, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 552, 553, 554,
&end
#
# 99 TYR HB- 100 GLU HN 6.00 (# 922:10 Unique 2.63, 3.51 A)
&rst
ixpk= 922, nxpk= 10, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1677,1678,
&end
#
# 0 AMB 10-2:923 100 GLU HN 8.00 (# 923:10 Single Ambig)
&rst
ixpk= 923, nxpk= 10, iat= -1,1694, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1832,1833,1834,1836,1837,1838, 549, 550,
&end
#
# 99 TYR HN 101 SER HN 8.00 (# 925:10 Unique 3.58, 3.83 A)
&rst
ixpk= 925, nxpk= 10, iat=1673,1709, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 103 LYS HN 101 SER HN 8.00 (# 926:10 Unique 3.44, 3.63 A)
&rst
ixpk= 926, nxpk= 10, iat=1735,1709, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 101 SER HA 101 SER HN 6.00 (# 927:10 Unique 2.95, 2.96 A)
&rst
ixpk= 927, nxpk= 10, iat=1711,1709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 GLU HA 101 SER HN 8.00 (# 928:10 Unique 4.09, 4.26 A)
&rst
ixpk= 928, nxpk= 10, iat=1644,1709, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:930 101 SER HN 8.00 (# 930:10 Single Ambig)
&rst
ixpk= 930, nxpk= 10, iat= -1,1709, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1727,1728,1724,1725,1649,1650,
&end
#
# 98 VAL MGX 101 SER HN 8.00 (# 931:10 Unique 4.91, 5.98 A)
&rst
ixpk= 931, nxpk= 10, iat= -1,1709, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1663,1664,1665,1667,1668,1669,
&end
#
# 101 SER HA 102 GLU HN 8.00 (# 932:10 Unique 3.39, 3.45 A)
&rst
ixpk= 932, nxpk= 10, iat=1711,1720, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 98 VAL HA 102 GLU HN 8.00 (# 933:10 Unique 3.18, 3.95 A)
&rst
ixpk= 933, nxpk= 10, iat=1659,1720, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:934 102 GLU HN 6.00 (# 934:10 Single Ambig)
&rst
ixpk= 934, nxpk= 10, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1698,1699,1698,1699,1661,
&end
#
# 104 ASP HN 103 LYS HN 8.00 (# 935:10 Unique 4.58, 4.64 A)
&rst
ixpk= 935, nxpk= 10, iat=1757,1735, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 101 SER HN 103 LYS HN 8.00 (# 937:10 Unique 3.44, 3.63 A)
&rst
ixpk= 937, nxpk= 10, iat=1709,1735, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 102 GLU HA 103 LYS HN 8.00 (# 938:10 Unique 3.03, 3.05 A)
&rst
ixpk= 938, nxpk= 10, iat=1722,1735, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:940 103 LYS HN 8.00 (# 940:10 Single Ambig)
&rst
ixpk= 940, nxpk= 10, iat= -1,1735, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1675,1713,1714,1713,1714,
&end
#
# 103 LYS HE- 103 LYS HN 8.00 (# 941:10 Unique 4.24, 5.89 A)
&rst
ixpk= 941, nxpk= 10, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1748,1749,
&end
#
# 0 AMB 10-2:942 103 LYS HN 8.00 (# 942:10 Single Ambig)
&rst
ixpk= 942, nxpk= 10, iat= -1,1735, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1724,1725,1727,1728,1827,1828,
&end
#
# 102 GLU HB- 103 LYS HN 8.00 (# 943:10 Unique 3.93, 4.18 A)
&rst
ixpk= 943, nxpk= 10, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1724,1725,
&end
#
# 0 AMB 10-2:944 103 LYS HN 4.50 (# 944:10 Single Ambig)
&rst
ixpk= 944, nxpk= 10, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1742,1743,1742,1743,
&end
#
# 103 LYS HD- 103 LYS HN 8.00 (# 945:10 Unique 4.29, 5.08 A)
&rst
ixpk= 945, nxpk= 10, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1745,1746,
&end
#
# 0 AMB 10-2:946 104 ASP HN 8.00 (# 946:10 Single Ambig)
&rst
ixpk= 946, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1759,1825,
&end
#
# 99 TYR HA 104 ASP HN 8.00 (# 948:10 Unique 5.46, 5.88 A)
&rst
ixpk= 948, nxpk= 10, iat=1675,1757, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 103 LYS HD+ 104 ASP HN 6.00 (# 949:10 Unique 1.93, 4.03 A)
&rst
ixpk= 949, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1745,1746,
&end
#
# 109 LEU MDY 104 ASP HN 8.00 (# 950:10 Unique 4.17, 6.84 A)
&rst
ixpk= 950, nxpk= 10, iat= -1,1757, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1832,1833,1834,1836,1837,1838,
&end
#
# 105 GLU HN 106 ASP HN 8.00 (# 953:10 Unique 2.65, 2.93 A)
&rst
ixpk= 953, nxpk= 10, iat=1769,1784, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 104 ASP HB+ 106 ASP HN 8.00 (# 954:10 Unique 2.26, 3.95 A)
&rst
ixpk= 954, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1761,1762,
&end
#
# 106 ASP HB- 106 ASP HN 8.00 (# 955:10 Unique 2.06, 3.01 A)
&rst
ixpk= 955, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1788,1789,
&end
#
# 0 AMB 10-2:957 106 ASP HN 8.00 (# 957:10 Single Ambig)
&rst
ixpk= 957, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1776,1777,1776,1777,
&end
#
# 0 AMB 10-2:958 106 ASP HN 6.00 (# 958:10 Single Ambig)
&rst
ixpk= 958, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1773,1774,1773,1774,
&end
#
# 104 ASP HB- 106 ASP HN 8.00 (# 959:10 Unique 2.26, 3.95 A)
&rst
ixpk= 959, nxpk= 10, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1761,1762,
&end
#
# 108 PHE HB+ 107 GLY HN 8.00 (# 961:10 Unique 4.09, 5.71 A)
&rst
ixpk= 961, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1807,1808,
&end
#
# 104 ASP HB- 107 GLY HN 8.00 (# 962:10 Unique 2.34, 3.63 A)
&rst
ixpk= 962, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1761,1762,
&end
#
# 0 AMB 10-2:963 107 GLY HN 8.00 (# 963:10 Single Ambig)
&rst
ixpk= 963, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1773,1774,1773,1774,
&end
#
# 108 PHE HB+ 108 PHE HN 8.00 (# 965:10 Unique 2.07, 3.26 A)
&rst
ixpk= 965, nxpk= 10, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1807,1808,
&end
#
# 110 TYR HD 109 LEU HN 8.00 (# 967:10 Unique 4.81, 6.99 A)
&rst
ixpk= 967, nxpk= 10, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1850,1859,
&end
#
# 0 AMB 10-2:968 109 LEU HN 8.00 (# 968:10 Single Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1,1823, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1811,1819,1681,1690,
&end
#
# 33 VAL HA 109 LEU HN 6.00 (# 969:10 Unique 1.82, 2.43 A)
&rst
ixpk= 969, nxpk= 10, iat= 574,1823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU HA 109 LEU HN 8.00 (# 970:10 Unique 2.95, 2.96 A)
&rst
ixpk= 970, nxpk= 10, iat=1825,1823, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 108 PHE HB+ 109 LEU HN 6.00 (# 971:10 Unique 1.88, 2.90 A)
&rst
ixpk= 971, nxpk= 10, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1807,1808,
&end
#
# 108 PHE HB- 109 LEU HN 8.00 (# 972:10 Unique 1.88, 2.90 A)
&rst
ixpk= 972, nxpk= 10, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1807,1808,
&end
#
# 0 AMB 10-2:974 110 TYR HN 8.00 (# 974:10 Single Ambig)
&rst
ixpk= 974, nxpk= 10, iat= -1,1842, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1827,1828,1830,
&end
#
# 110 TYR HN 111 MET HN 8.00 (# 975:10 Unique 4.13, 4.36 A)
&rst
ixpk= 975, nxpk= 10, iat=1842,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 112 VAL HN 111 MET HN 8.00 (# 976:10 Unique 4.20, 4.37 A)
&rst
ixpk= 976, nxpk= 10, iat=1880,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 34 ILE HN 111 MET HN 8.00 (# 977:10 Unique 2.41, 3.11 A)
&rst
ixpk= 977, nxpk= 10, iat= 588,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 36 GLU HN 111 MET HN 8.00 (# 978:10 Unique 3.49, 4.31 A)
&rst
ixpk= 978, nxpk= 10, iat= 626,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 110 TYR HD 111 MET HN 8.00 (# 979:10 Unique 3.02, 4.85 A)
&rst
ixpk= 979, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1850,1859,
&end
#
# 110 TYR HB+ 111 MET HN 8.00 (# 980:10 Unique 3.21, 4.15 A)
&rst
ixpk= 980, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1846,1847,
&end
#
# 110 TYR HB- 111 MET HN 8.00 (# 981:10 Unique 3.21, 4.15 A)
&rst
ixpk= 981, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1846,1847,
&end
#
# 111 MET ME 111 MET HN 8.00 (# 982:10 Unique 5.07, 6.49 A)
&rst
ixpk= 982, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1874,1875,1876,
&end
#
# 34 ILE HB 111 MET HN 8.00 (# 983:10 Unique 2.39, 2.99 A)
&rst
ixpk= 983, nxpk= 10, iat= 592,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 109 LEU MDY 111 MET HN 8.00 (# 984:10 Unique 3.60, 6.63 A)
&rst
ixpk= 984, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1832,1833,1834,1836,1837,1838,
&end
#
# 0 AMB 10-2:985 111 MET HN 6.00 (# 985:10 Single Ambig)
&rst
ixpk= 985, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
583, 584,
&end
#
# 0 AMB 10-2:986 111 MET HN 8.00 (# 986:10 Single Ambig)
&rst
ixpk= 986, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 613, 614, 615, 617, 618,
&end
#
# 34 ILE QG2 111 MET HN 8.00 (# 987:10 Unique 2.98, 4.82 A)
&rst
ixpk= 987, nxpk= 10, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 594, 595, 596,
&end
#
# 111 MET HN 112 VAL HN 8.00 (# 988:10 Unique 4.20, 4.37 A)
&rst
ixpk= 988, nxpk= 10, iat=1863,1880, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:990 112 VAL HN 8.00 (# 990:10 Single Ambig)
&rst
ixpk= 990, nxpk= 10, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 609,1844,1411,
&end
#
# 0 AMB 10-2:991 112 VAL HN 8.00 (# 991:10 Single Ambig)
&rst
ixpk= 991, nxpk= 10, iat= -1,1880, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1870,1871,1870,1871,
&end
#
# 82 LEU HB+ 112 VAL HN 8.00 (# 992:10 Unique 3.59, 4.32 A)
&rst
ixpk= 992, nxpk= 10, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1432,1433,
&end
#
# 0 AMB 10-2:993 112 VAL HN 6.00 (# 993:10 Single Ambig)
&rst
ixpk= 993, nxpk= 10, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
1423,1424,
&end
#
# 113 TYR HA 113 TYR HN 6.00 (# 994:10 Unique 2.96, 2.96 A)
&rst
ixpk= 994, nxpk= 10, iat=1898,1896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 113 TYR HB- 113 TYR HN 8.00 (# 995:10 Unique 2.40, 2.87 A)
&rst
ixpk= 995, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1900,1901,
&end
#
# 35 ILE HG1+ 113 TYR HN 8.00 (# 996:10 Unique 3.32, 4.70 A)
&rst
ixpk= 996, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 617, 618,
&end
#
# 0 AMB 10-2:997 114 ALA HN 6.00 (# 997:10 Single Ambig)
&rst
ixpk= 997, nxpk= 10, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1896,1409,
&end
#
# 81 LEU HA 114 ALA HN 8.00 (# 999:10 Unique 3.03, 3.30 A)
&rst
ixpk= 999, nxpk= 10, iat=1411,1917, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:1000 114 ALA HN 8.00 (# 1000:10 Single Ambig)
&rst
ixpk= 1000, nxpk= 10, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1371,1940,
&end
#
# 0 AMB 10-2:1001 114 ALA HN 8.00 (# 1001:10 Single Ambig)
&rst
ixpk= 1001, nxpk= 10, iat= -1,1917, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
1891,1892,
&end
#
# 0 AMB 10-2:1002 114 ALA HN 8.00 (# 1002:10 Single Ambig)
&rst
ixpk= 1002, nxpk= 10, iat= -1,1917, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
1423,1424,
&end
#
# 0 AMB 10-2:1003 114 ALA HN 8.00 (# 1003:10 Single Ambig)
&rst
ixpk= 1003, nxpk= 10, iat= -1,1917, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 0 AMB 10-2:1004 115 SER HN 8.00 (# 1004:10 Single Ambig)
&rst
ixpk= 1004, nxpk= 10, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1389,1917,
&end
#
# 115 SER HB- 115 SER HN 8.00 (# 1005:10 Unique 2.17, 3.11 A)
&rst
ixpk= 1005, nxpk= 10, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1931,1932,
&end
#
# 0 AMB 10-2:1006 115 SER HN 8.00 (# 1006:10 Single Ambig)
&rst
ixpk= 1006, nxpk= 10, iat= -1,1927, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 759, 760, 722, 723, 719, 720,
&end
#
# 117 GLU HN 116 GLN HN 8.00 (# 1007:10 Unique 4.28, 4.39 A)
&rst
ixpk= 1007, nxpk= 10, iat=1955,1938, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 114 ALA HA 116 GLN HN 6.00 (# 1008:10 Unique 3.87, 4.21 A)
&rst
ixpk= 1008, nxpk= 10, iat=1919,1938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 GLN HA 116 GLN HN 6.00 (# 1009:10 Unique 2.89, 2.91 A)
&rst
ixpk= 1009, nxpk= 10, iat=1940,1938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 SER HB+ 116 GLN HN 8.00 (# 1010:10 Unique 3.98, 4.40 A)
&rst
ixpk= 1010, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1931,1932,
&end
#
# 0 AMB 10-2:1012 116 GLN HN 8.00 (# 1012:10 Single Ambig)
&rst
ixpk= 1012, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
1442,1443,
&end
#
# 116 GLN HG+ 117 GLU HN 8.00 (# 1013:10 Unique 2.76, 3.98 A)
&rst
ixpk= 1013, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1945,1946,
&end
#
# 117 GLU HG+ 117 GLU HN 6.00 (# 1014:10 Unique 2.25, 3.65 A)
&rst
ixpk= 1014, nxpk= 10, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1962,1963,
&end
#
# 118 THR HB 120 GLY HN 8.00 (# 1016:10 Unique 2.87, 5.32 A)
&rst
ixpk= 1016, nxpk= 10, iat=1974,2004, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 118 THR MG2 120 GLY HN 8.00 (# 1017:10 Unique 2.62, 6.75 A)
&rst
ixpk= 1017, nxpk= 10, iat= -1,2004, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1976,1977,1978,
&end
#
# 0 AMB 10-2:1018 80 PHE HN 8.00 (# 1018:10 Single Ambig)
&rst
ixpk= 1018, nxpk= 10, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1938,1399,1403,
&end
#
# 113 TYR HA 80 PHE HN 8.00 (# 1019:10 Unique 4.69, 5.32 A)
&rst
ixpk= 1019, nxpk= 10, iat=1898,1389, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 104 ASP HB+ 105 GLU HN 8.00 (# 1021:10 Unique 2.61, 3.58 A)
&rst
ixpk= 1021, nxpk= 10, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1761,1762,
&end
#
# 36 GLU HA 37 ARG HN 4.50 (# 1022:10 Unique 2.14, 2.23 A)
&rst
ixpk= 1022, nxpk= 10, iat= 628, 641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 LEU HN 83 VAL HN 8.00 (# 1023:10 Unique 4.13, 4.44 A)
&rst
ixpk= 1023, nxpk= 10, iat=1428,1447, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:1025 97 GLU HN 8.00 (# 1025:10 Single Ambig)
&rst
ixpk= 1025, nxpk= 10, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1608,1586,
&end
#
# 57 HIS HA 58 VAL HN 6.00 (# 1026:10 Unique 3.01, 3.38 A)
&rst
ixpk= 1026, nxpk= 10, iat= 990,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 VAL HB 58 VAL HN 3.50 (# 1027:10 Unique 2.11, 2.25 A)
&rst
ixpk= 1027, nxpk= 10, iat=1010,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1030 89 VAL HN 6.00 (# 1030:10 Single Ambig)
&rst
ixpk= 1030, nxpk= 10, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1959,1960,1413,1414,1435,
&end
#
# 76 ASN HN 77 GLN HN 6.00 (# 1031:10 Unique 1.85, 2.54 A)
&rst
ixpk= 1031, nxpk= 10, iat=1328,1342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 LYS HN 66 ILE HN 6.00 (# 1034:10 Unique 2.48, 2.87 A)
&rst
ixpk= 1034, nxpk= 10, iat=1117,1139, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ILE HA 66 ILE HN 6.00 (# 1035:10 Unique 2.74, 2.79 A)
&rst
ixpk= 1035, nxpk= 10, iat=1141,1139, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1036 0 AMB 10-1:1036 6.00 (# 1036:10 Double Ambig)
&rst
ixpk= 1036, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 343, 344, 345, 347, 348, 349,1152,1153,1154,1088,
1089,1090,1092,1093,1094,
igr2= 353,1139,
&end
#
# 11 ARG HA 11 ARG HN 6.00 (# 1037:10 Unique 2.93, 2.95 A)
&rst
ixpk= 1037, nxpk= 10, iat= 182, 180, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ARG HA 11 ARG HN 8.00 (# 1038:10 Unique 3.12, 3.45 A)
&rst
ixpk= 1038, nxpk= 10, iat= 158, 180, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:1039 11 ARG HN 8.00 (# 1039:10 Single Ambig)
&rst
ixpk= 1039, nxpk= 10, iat= -1, 180, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 190, 191, 190, 191,
&end
#
# 10 ARG HB+ 11 ARG HN 8.00 (# 1040:10 Unique 1.61, 3.03 A)
&rst
ixpk= 1040, nxpk= 10, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 160, 161,
&end
#
# 10 ARG HG+ 11 ARG HN 8.00 (# 1041:10 Unique 1.73, 2.48 A)
&rst
ixpk= 1041, nxpk= 10, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 163, 164,
&end
#
# 11 ARG HB+ 11 ARG HN 6.00 (# 1043:10 Unique 2.35, 3.15 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 185,
&end
#
# 11 ARG HB- 11 ARG HN 8.00 (# 1045:10 Unique 2.35, 3.15 A)
&rst
ixpk= 1045, nxpk= 10, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 184, 185,
&end
#
# 94 PRO HD+ 93 THR HN 8.00 (# 1046:10 Unique 4.58, 4.85 A)
&rst
ixpk= 1046, nxpk= 10, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1599,1600,
&end
#
# 114 ALA MB 116 GLN HN 3.50 (# 1048:10 Unique 2.48, 3.19 A)
&rst
ixpk= 1048, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1921,1922,1923,
&end
#
# 102 GLU HA 84 ASN HD2+ 6.00 (# 1050:10 Unique 3.92, 5.67 A)
&rst
ixpk= 1050, nxpk= 10, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1472,1473,
&end
#
# 84 ASN HB- 84 ASN HD2+ 6.00 (# 1051:10 Unique 2.15, 3.28 A)
&rst
ixpk= 1051, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1467,1468,
igr2=1472,1473,
&end
#
# 0 AMB 10-2:1052 0 AMB 10-1:1052 8.00 (# 1052:10 Double Ambig)
&rst
ixpk= 1052, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1724,1725,1727,1728,
igr2=1472,1473,1472,1473,
&end
#
# 0 AMB 10-2:1053 0 AMB 10-1:1053 6.00 (# 1053:10 Double Ambig)
&rst
ixpk= 1053, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
1458,1459,
igr2=1472,1473,1472,1473,
&end
#
# 12 THR HB 16 ARG HE 8.00 (# 1054:10 Unique 6.87, 7.90 A)
&rst
ixpk= 1054, nxpk= 10, iat= 208, 283, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 16 ARG HD+ 16 ARG HE 8.00 (# 1055:10 Unique 2.29, 2.71 A)
&rst
ixpk= 1055, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 280, 281,
&end
#
# 16 ARG HD- 16 ARG HE 8.00 (# 1056:10 Unique 2.29, 2.71 A)
&rst
ixpk= 1056, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 280, 281,
&end
#
# 0 AMB 10-2:1058 16 ARG HE 8.00 (# 1058:10 Single Ambig)
&rst
ixpk= 1058, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 277, 278, 277, 278,
&end
#
# 77 GLN HA 77 GLN HE2- 6.00 (# 1062:10 Unique 1.94, 4.31 A)
&rst
ixpk= 1062, nxpk= 10, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1354,1355,
&end
#
# 0 AMB 10-2:1063 77 GLN HE2- 8.00 (# 1063:10 Single Ambig)
&rst
ixpk= 1063, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1346,1347, 792, 793,
igr2=1354,1355,
&end
#
# 78 ALA MB 77 GLN HE2- 8.00 (# 1065:10 Unique 3.85, 6.69 A)
&rst
ixpk= 1065, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1363,1364,1365,
igr2=1354,1355,
&end
#
# 44 LEU MDY 77 GLN HE2- 6.00 (# 1066:10 Unique 1.88, 5.64 A)
&rst
ixpk= 1066, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 778, 779, 780, 782, 783, 784,
igr2=1354,1355,
&end
#
# 73 LEU MDY 77 GLN HE2- 6.00 (# 1067:10 Unique 1.79, 5.71 A)
&rst
ixpk= 1067, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1354,1355,
&end
#
# 0 AMB 10-2:1068 115 SER HN 8.00 (# 1068:10 Single Ambig)
&rst
ixpk= 1068, nxpk= 10, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 776,1945,1946,
&end
#
# 78 ALA HN 77 GLN HE2+ 8.00 (# 1069:10 Unique 1.84, 4.20 A)
&rst
ixpk= 1069, nxpk= 10, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1354,1355,
&end
#
# 77 GLN HA 77 GLN HE2+ 8.00 (# 1070:10 Unique 1.94, 4.31 A)
&rst
ixpk= 1070, nxpk= 10, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1354,1355,
&end
#
# 0 AMB 10-2:1071 0 AMB 10-1:1071 8.00 (# 1071:10 Double Ambig)
&rst
ixpk= 1071, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1=1346,1347, 792, 793,
igr2=1354,1355,1354,1355,
&end
#
# 0 AMB 10-2:1072 0 AMB 10-1:1072 8.00 (# 1072:10 Double Ambig)
&rst
ixpk= 1072, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1346,1347, 776,
igr2=1354,1355,1354,1355,
&end
#
# 78 ALA MB 77 GLN HE2+ 8.00 (# 1073:10 Unique 3.85, 6.69 A)
&rst
ixpk= 1073, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1363,1364,1365,
igr2=1354,1355,
&end
#
# 73 LEU MDY 77 GLN HE2+ 8.00 (# 1074:10 Unique 1.79, 5.71 A)
&rst
ixpk= 1074, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1294,1295,1296,1298,1299,1300,
igr2=1354,1355,
&end
#
# 114 ALA HA 116 GLN HE2+ 6.00 (# 1076:10 Unique 3.91, 4.99 A)
&rst
ixpk= 1076, nxpk= 10, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1950,1951,
&end
#
# 116 GLN HB- 116 GLN HE2+ 8.00 (# 1077:10 Unique 2.02, 4.32 A)
&rst
ixpk= 1077, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1942,1943,
igr2=1950,1951,
&end
#
# 0 AMB 10-2:1079 0 AMB 10-1:1079 6.00 (# 1079:10 Double Ambig)
&rst
ixpk= 1079, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 759, 760, 722, 723,
igr2= 764, 765, 764, 765,
&end
#
# 6 THR HB 9 GLN HE2+ 8.00 (# 1080:10 Unique 2.49, 7.96 A)
&rst
ixpk= 1080, nxpk= 10, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:1081 0 AMB 10-1:1081 6.00 (# 1081:10 Double Ambig)
&rst
ixpk= 1081, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 6, 208,
igr2= 151, 152, 265, 266,
&end
#
# 15 GLN HG+ 15 GLN HE2+ 8.00 (# 1082:10 Unique 2.15, 3.22 A)
&rst
ixpk= 1082, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 260, 261,
igr2= 265, 266,
&end
#
# 9 GLN HB- 9 GLN HE2+ 8.00 (# 1083:10 Unique 1.90, 3.84 A)
&rst
ixpk= 1083, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 143, 144,
igr2= 151, 152,
&end
#
# 62 GLU HG+ 59 ASN HD2+ 8.00 (# 1084:10 Unique 3.97, 5.75 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1071,1072,
igr2=1031,1032,
&end
#
# 22 LEU MDX 26 GLN HE2+ 8.00 (# 1087:10 Unique 2.25, 6.07 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 386, 387, 388, 390, 391, 392,
igr2= 466, 467,
&end
#
# 26 GLN HB- 26 GLN HE2+ 8.00 (# 1088:10 Unique 1.95, 4.21 A)
&rst
ixpk= 1088, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 458, 459,
igr2= 466, 467,
&end
#
# 27 HIS HA 29 THR HN 8.00 (# 1090:10 Unique 3.03, 3.12 A)
&rst
ixpk= 1090, nxpk= 10, iat= 473, 503, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 20 VAL MGY 107 GLY HN 8.00 (# 1092:10 Unique 4.86, 7.33 A)
&rst
ixpk= 1092, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 85 GLY HA+ 85 GLY HN 6.00 (# 1093:10 Unique 2.43, 2.70 A)
&rst
ixpk= 1093, nxpk= 10, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1479,1480,
&end
#
# 4 GLU HN 5 LYS HN 8.00 (# 1094:10 Unique 1.97, 2.59 A)
&rst
ixpk= 1094, nxpk= 10, iat= 46, 61, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 9 GLN HN 6 THR HN 8.00 (# 1098:10 Unique 3.66, 4.34 A)
&rst
ixpk= 1098, nxpk= 10, iat= 139, 83, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:1100 7 PHE HN 8.00 (# 1100:10 Single Ambig)
&rst
ixpk= 1100, nxpk= 10, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 6, 628,
&end
#
# 7 PHE HB+ 8 LYS HN 8.00 (# 1101:10 Unique 3.23, 4.04 A)
&rst
ixpk= 1101, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 101, 102,
&end
#
# 7 PHE HD 8 LYS HN 8.00 (# 1103:10 Unique 1.95, 4.15 A)
&rst
ixpk= 1103, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 105, 113,
&end
#
# 13 PHE HD 14 GLU HN 8.00 (# 1111:10 Unique 2.83, 4.83 A)
&rst
ixpk= 1111, nxpk= 10, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 226, 234,
&end
#
# 12 THR HA 14 GLU HN 8.00 (# 1112:10 Unique 4.26, 4.56 A)
&rst
ixpk= 1112, nxpk= 10, iat= 206, 238, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 17 VAL HN 16 ARG HN 6.00 (# 1116:10 Unique 2.60, 2.92 A)
&rst
ixpk= 1116, nxpk= 10, iat= 294, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1117 16 ARG HN 6.00 (# 1117:10 Single Ambig)
&rst
ixpk= 1117, nxpk= 10, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 220, 255,
&end
#
# 0 AMB 10-2:1119 17 VAL HN 8.00 (# 1119:10 Single Ambig)
&rst
ixpk= 1119, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 220, 255,
&end
#
# 21 ARG HN 20 VAL HN 6.00 (# 1123:10 Unique 2.50, 2.62 A)
&rst
ixpk= 1123, nxpk= 10, iat= 353, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1125 0 AMB 10-1:1125 6.00 (# 1125:10 Double Ambig)
&rst
ixpk= 1125, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1158,1546,1053,1098,
igr2=1139,1557,
&end
#
# 19 ASP HN 21 ARG HN 6.00 (# 1127:10 Unique 3.74, 3.92 A)
&rst
ixpk= 1127, nxpk= 10, iat= 325, 353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 VAL HN 21 ARG HN 6.00 (# 1128:10 Unique 2.50, 2.62 A)
&rst
ixpk= 1128, nxpk= 10, iat= 337, 353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 GLU HN 22 LEU HN 8.00 (# 1129:10 Unique 4.50, 4.83 A)
&rst
ixpk= 1129, nxpk= 10, iat= 439, 377, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 21 ARG HG- 22 LEU HN 8.00 (# 1130:10 Unique 4.44, 4.60 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 360, 361,
&end
#
# 24 ARG HN 23 ILE HN 6.00 (# 1131:10 Unique 2.33, 2.56 A)
&rst
ixpk= 1131, nxpk= 10, iat= 415, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 GLN HB+ 26 GLN HN 4.50 (# 1133:10 Unique 2.40, 3.13 A)
&rst
ixpk= 1133, nxpk= 10, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 458, 459,
&end
#
# 0 AMB 10-2:1134 33 VAL HN 6.00 (# 1134:10 Single Ambig)
&rst
ixpk= 1134, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 565, 566, 543,
&end
#
# 34 ILE HG1+ 34 ILE HN 8.00 (# 1135:10 Unique 2.09, 3.33 A)
&rst
ixpk= 1135, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 598, 599,
&end
#
# 52 PHE HD 35 ILE HN 8.00 (# 1136:10 Unique 2.52, 5.38 A)
&rst
ixpk= 1136, nxpk= 10, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 915, 923,
&end
#
# 35 ILE HB 35 ILE HN 8.00 (# 1138:10 Unique 2.79, 3.14 A)
&rst
ixpk= 1138, nxpk= 10, iat= 611, 607, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 35 ILE HG1- 35 ILE HN 8.00 (# 1139:10 Unique 3.41, 4.39 A)
&rst
ixpk= 1139, nxpk= 10, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 617, 618,
&end
#
# 35 ILE QG2 35 ILE HN 8.00 (# 1140:10 Unique 1.76, 2.76 A)
&rst
ixpk= 1140, nxpk= 10, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 613, 614, 615,
&end
#
# 34 ILE QG2 35 ILE HN 8.00 (# 1141:10 Unique 2.25, 3.81 A)
&rst
ixpk= 1141, nxpk= 10, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 594, 595, 596,
&end
#
# 35 ILE QD1 35 ILE HN 8.00 (# 1142:10 Unique 4.72, 5.54 A)
&rst
ixpk= 1142, nxpk= 10, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 620, 621, 622,
&end
#
# 35 ILE HN 36 GLU HN 8.00 (# 1143:10 Unique 3.95, 4.21 A)
&rst
ixpk= 1143, nxpk= 10, iat= 607, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 38 TYR HN 37 ARG HN 6.00 (# 1146:10 Unique 4.49, 4.61 A)
&rst
ixpk= 1146, nxpk= 10, iat= 665, 641, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1148 59 ASN HN 8.00 (# 1148:10 Single Ambig)
&rst
ixpk= 1148, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1064,1036,
&end
#
# 0 AMB 10-2:1149 59 ASN HN 8.00 (# 1149:10 Single Ambig)
&rst
ixpk= 1149, nxpk= 10, iat= -1,1022, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 963, 964,1599,1600,
&end
#
# 58 VAL HB 59 ASN HN 6.00 (# 1150:10 Unique 4.17, 4.28 A)
&rst
ixpk= 1150, nxpk= 10, iat=1010,1022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1152 38 TYR HN 8.00 (# 1152:10 Single Ambig)
&rst
ixpk= 1152, nxpk= 10, iat= -1, 665, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1= 740, 741, 740, 741, 690, 691,
&end
#
# 44 LEU HN 42 LYS HN 8.00 (# 1154:10 Unique 5.05, 5.96 A)
&rst
ixpk= 1154, nxpk= 10, iat= 769, 730, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 42 LYS HA 42 LYS HN 8.00 (# 1155:10 Unique 2.87, 2.96 A)
&rst
ixpk= 1155, nxpk= 10, iat= 732, 730, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 43 GLN HA 42 LYS HN 8.00 (# 1156:10 Unique 4.20, 4.57 A)
&rst
ixpk= 1156, nxpk= 10, iat= 754, 730, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 41 GLU HA 42 LYS HN 6.00 (# 1157:10 Unique 2.13, 2.18 A)
&rst
ixpk= 1157, nxpk= 10, iat= 717, 730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 LYS HB+ 42 LYS HN 8.00 (# 1158:10 Unique 2.25, 2.99 A)
&rst
ixpk= 1158, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 734, 735,
&end
#
# 42 LYS HB- 42 LYS HN 8.00 (# 1159:10 Unique 2.25, 2.99 A)
&rst
ixpk= 1159, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 734, 735,
&end
#
# 42 LYS HG+ 42 LYS HN 8.00 (# 1160:10 Unique 2.72, 3.83 A)
&rst
ixpk= 1160, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 737, 738,
&end
#
# 42 LYS HG- 42 LYS HN 8.00 (# 1161:10 Unique 2.72, 3.83 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 737, 738,
&end
#
# 114 ALA HA 43 GLN HN 6.00 (# 1162:10 Unique 5.62, 6.04 A)
&rst
ixpk= 1162, nxpk= 10, iat=1919, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 PRO HA 46 VAL HN 4.50 (# 1164:10 Unique 2.17, 2.32 A)
&rst
ixpk= 1164, nxpk= 10, iat= 798, 802, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ARG HN 25 GLU HN 6.00 (# 1170:10 Unique 2.36, 2.48 A)
&rst
ixpk= 1170, nxpk= 10, iat= 415, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 GLN HN 25 GLU HN 6.00 (# 1171:10 Unique 2.33, 2.53 A)
&rst
ixpk= 1171, nxpk= 10, iat= 454, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 ILE HG1+ 65 LYS HN 8.00 (# 1175:10 Unique 4.35, 4.81 A)
&rst
ixpk= 1175, nxpk= 10, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1108,1109,
&end
#
# 50 THR HA 50 THR HN 6.00 (# 1177:10 Unique 2.29, 2.75 A)
&rst
ixpk= 1177, nxpk= 10, iat= 873, 871, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1178 50 THR HN 8.00 (# 1178:10 Single Ambig)
&rst
ixpk= 1178, nxpk= 10, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 6, 628,
&end
#
# 49 LYS HN 51 LYS HN 8.00 (# 1179:10 Unique 4.18, 4.95 A)
&rst
ixpk= 1179, nxpk= 10, iat= 849, 885, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 53 LEU HN 54 VAL HN 8.00 (# 1181:10 Unique 3.62, 4.40 A)
&rst
ixpk= 1181, nxpk= 10, iat= 927, 946, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 54 VAL HB 54 VAL HN 4.50 (# 1182:10 Unique 2.20, 2.56 A)
&rst
ixpk= 1182, nxpk= 10, iat= 950, 946, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ILE HN 56 ASP HN 8.00 (# 1183:10 Unique 1.77, 2.83 A)
&rst
ixpk= 1183, nxpk= 10, iat= 539, 976, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 58 VAL HN 57 HIS HN 6.00 (# 1185:10 Unique 1.81, 1.87 A)
&rst
ixpk= 1185, nxpk= 10, iat=1006, 988, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 TYR HN 97 GLU HN 8.00 (# 1187:10 Unique 4.03, 4.25 A)
&rst
ixpk= 1187, nxpk= 10, iat=1673,1642, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:1188 58 VAL HN 6.00 (# 1188:10 Single Ambig)
&rst
ixpk= 1188, nxpk= 10, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 990, 948,
&end
#
# 61 SER HN 60 MET HN 6.00 (# 1189:10 Unique 2.55, 2.79 A)
&rst
ixpk= 1189, nxpk= 10, iat=1053,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1190 60 MET HN 8.00 (# 1190:10 Single Ambig)
&rst
ixpk= 1190, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1614,1066,
&end
#
# 59 ASN HB- 60 MET HN 6.00 (# 1191:10 Unique 1.91, 2.76 A)
&rst
ixpk= 1191, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1026,1027,
&end
#
# 63 LEU MDX 60 MET HN 8.00 (# 1192:10 Unique 3.70, 5.89 A)
&rst
ixpk= 1192, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1088,1089,1090,1092,1093,1094,
&end
#
# 0 AMB 10-2:1193 61 SER HN 6.00 (# 1193:10 Single Ambig)
&rst
ixpk= 1193, nxpk= 10, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1036,1064,1557,
&end
#
# 59 ASN HB- 61 SER HN 8.00 (# 1195:10 Unique 2.82, 3.77 A)
&rst
ixpk= 1195, nxpk= 10, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1026,1027,
&end
#
# 59 ASN HN 62 GLU HN 8.00 (# 1196:10 Unique 3.45, 3.77 A)
&rst
ixpk= 1196, nxpk= 10, iat=1022,1064, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:1197 62 GLU HN 8.00 (# 1197:10 Single Ambig)
&rst
ixpk= 1197, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1038,1608,
&end
#
# 0 AMB 10-2:1198 62 GLU HN 6.00 (# 1198:10 Single Ambig)
&rst
ixpk= 1198, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1057,1058,1057,1058,
&end
#
# 62 GLU HN 63 LEU HN 6.00 (# 1200:10 Unique 2.59, 2.99 A)
&rst
ixpk= 1200, nxpk= 10, iat=1064,1079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1202 0 AMB 10-1:1202 3.50 (# 1202:10 Double Ambig)
&rst
ixpk= 1202, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1079,1225,
igr2=1098,1177,
&end
#
# 66 ILE HN 0 AMB 10-1:1203 6.00 (# 1203:10 Single Ambig)
&rst
ixpk= 1203, nxpk= 10, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1098,1177,
&end
#
# 0 AMB 10-2:1204 0 AMB 10-1:1204 6.00 (# 1204:10 Double Ambig)
&rst
ixpk= 1204, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1083,1084,1168,1169,
igr2=1098,1177,
&end
#
# 68 ARG HE 65 LYS HN 8.00 (# 1205:10 Unique 5.45, 7.20 A)
&rst
ixpk= 1205, nxpk= 10, iat=1190,1117, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:1206 0 AMB 10-1:1206 3.50 (# 1206:10 Double Ambig)
&rst
ixpk= 1206, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1121,1122, 28, 29,1102,
igr2=1117, 849,
&end
#
# 65 LYS HG+ 65 LYS HN 6.00 (# 1207:10 Unique 2.42, 3.43 A)
&rst
ixpk= 1207, nxpk= 10, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1124,1125,
&end
#
# 0 AMB 10-2:1208 0 AMB 10-1:1208 6.00 (# 1208:10 Double Ambig)
&rst
ixpk= 1208, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 808, 809, 810, 812, 813, 814,1104,1105,1106,
igr2= 849,1117,
&end
#
# 65 LYS HA 66 ILE HN 8.00 (# 1209:10 Unique 3.52, 3.57 A)
&rst
ixpk= 1209, nxpk= 10, iat=1119,1139, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:1210 66 ILE HN 8.00 (# 1210:10 Single Ambig)
&rst
ixpk= 1210, nxpk= 10, iat= -1,1139, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1181,1182,1181,1182,1208,1209,
&end
#
# 65 LYS HG- 66 ILE HN 8.00 (# 1211:10 Unique 1.90, 4.48 A)
&rst
ixpk= 1211, nxpk= 10, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1124,1125,
&end
#
# 0 AMB 10-2:1212 0 AMB 10-1:1212 8.00 (# 1212:10 Double Ambig)
&rst
ixpk= 1212, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.94, r4=14.44,
igr1= 300, 301, 302, 304, 305, 306,2212,2213,2214,2216,
2217,2218,1184,1185,
igr2= 353,1139,
&end
#
# 0 AMB 10-2:1213 67 ILE HN 6.00 (# 1213:10 Single Ambig)
&rst
ixpk= 1213, nxpk= 10, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1225,1079,
&end
#
# 66 ILE HN 67 ILE HN 6.00 (# 1214:10 Unique 2.51, 2.80 A)
&rst
ixpk= 1214, nxpk= 10, iat=1139,1158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 ILE HA 0 AMB 10-1:1216 6.00 (# 1216:10 Single Ambig)
&rst
ixpk= 1216, nxpk= 10, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1098,1177,
&end
#
# 0 AMB 10-2:1217 0 AMB 10-1:1217 4.50 (# 1217:10 Double Ambig)
&rst
ixpk= 1217, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 471,1225,
igr2= 454,1201,
&end
#
# 69 ARG HA 69 ARG HN 6.00 (# 1219:10 Unique 2.82, 2.90 A)
&rst
ixpk= 1219, nxpk= 10, iat=1203,1201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 71 LEU HG 69 ARG HN 8.00 (# 1220:10 Unique 5.05, 5.60 A)
&rst
ixpk= 1220, nxpk= 10, iat=1256,1201, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 68 ARG HG+ 69 ARG HN 8.00 (# 1221:10 Unique 2.85, 4.18 A)
&rst
ixpk= 1221, nxpk= 10, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1184,1185,
&end
#
# 73 LEU HN 70 ARG HN 8.00 (# 1222:10 Unique 5.85, 6.90 A)
&rst
ixpk= 1222, nxpk= 10, iat=1285,1225, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 73 LEU HN 72 GLN HN 4.50 (# 1225:10 Unique 2.27, 3.67 A)
&rst
ixpk= 1225, nxpk= 10, iat=1285,1268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 ASN HN 73 LEU HN 8.00 (# 1226:10 Unique 1.94, 3.48 A)
&rst
ixpk= 1226, nxpk= 10, iat=1304,1285, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 72 GLN HN 73 LEU HN 6.00 (# 1227:10 Unique 2.27, 3.67 A)
&rst
ixpk= 1227, nxpk= 10, iat=1268,1285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ARG HN 73 LEU HN 8.00 (# 1228:10 Unique 5.93, 6.89 A)
&rst
ixpk= 1228, nxpk= 10, iat=1201,1285, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 73 LEU HA 73 LEU HN 6.00 (# 1229:10 Unique 2.59, 2.88 A)
&rst
ixpk= 1229, nxpk= 10, iat=1287,1285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 73 LEU HG 73 LEU HN 6.00 (# 1230:10 Unique 1.81, 2.78 A)
&rst
ixpk= 1230, nxpk= 10, iat=1292,1285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 71 LEU HB+ 73 LEU HN 6.00 (# 1231:10 Unique 3.00, 4.91 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1253,1254,
&end
#
# 0 AMB 10-2:1232 73 LEU HN 4.50 (# 1232:10 Single Ambig)
&rst
ixpk= 1232, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1289,1290,1253,1254,1184,1185,
&end
#
# 73 LEU MDY 73 LEU HN 6.00 (# 1233:10 Unique 1.62, 4.32 A)
&rst
ixpk= 1233, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 73 LEU MDX 73 LEU HN 6.00 (# 1234:10 Unique 1.62, 4.32 A)
&rst
ixpk= 1234, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 10-2:1235 76 ASN HN 6.00 (# 1235:10 Single Ambig)
&rst
ixpk= 1235, nxpk= 10, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1342,1337,1338,
&end
#
# 74 ASN HN 77 GLN HN 8.00 (# 1236:10 Unique 3.15, 4.17 A)
&rst
ixpk= 1236, nxpk= 10, iat=1304,1342, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 73 LEU MDX 77 GLN HN 8.00 (# 1238:10 Unique 5.29, 7.63 A)
&rst
ixpk= 1238, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 74 ASN HN 78 ALA HN 8.00 (# 1239:10 Unique 5.82, 6.62 A)
&rst
ixpk= 1239, nxpk= 10, iat=1304,1359, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 77 GLN HE2+ 78 ALA HN 8.00 (# 1240:10 Unique 1.84, 4.20 A)
&rst
ixpk= 1240, nxpk= 10, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1354,1355,
&end
#
# 79 PHE HE 79 PHE HN 8.00 (# 1242:10 Unique 4.35, 6.57 A)
&rst
ixpk= 1242, nxpk= 10, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1379,1383,
&end
#
# 81 LEU HN 80 PHE HN 8.00 (# 1244:10 Unique 3.88, 4.23 A)
&rst
ixpk= 1244, nxpk= 10, iat=1409,1389, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 0 AMB 10-2:1245 81 LEU HN 8.00 (# 1245:10 Single Ambig)
&rst
ixpk= 1245, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1389,1917,
&end
#
# 0 AMB 10-2:1246 81 LEU HN 8.00 (# 1246:10 Single Ambig)
&rst
ixpk= 1246, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1397,1405,1377,1385,
&end
#
# 81 LEU HA 81 LEU HN 6.00 (# 1247:10 Unique 2.94, 2.95 A)
&rst
ixpk= 1247, nxpk= 10, iat=1411,1409, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 PHE HB+ 81 LEU HN 8.00 (# 1248:10 Unique 2.57, 3.75 A)
&rst
ixpk= 1248, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1393,1394,
&end
#
# 80 PHE HB- 81 LEU HN 8.00 (# 1249:10 Unique 2.57, 3.75 A)
&rst
ixpk= 1249, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1393,1394,
&end
#
# 64 ILE HG1+ 81 LEU HN 6.00 (# 1250:10 Unique 3.27, 4.72 A)
&rst
ixpk= 1250, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1108,1109,
&end
#
# 82 LEU HB+ 83 VAL HN 6.00 (# 1255:10 Unique 3.05, 3.73 A)
&rst
ixpk= 1255, nxpk= 10, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1432,1433,
&end
#
# 0 AMB 10-2:1256 83 VAL HN 8.00 (# 1256:10 Single Ambig)
&rst
ixpk= 1256, nxpk= 10, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1435,1413,1414,
&end
#
# 0 AMB 10-2:1257 83 VAL HN 6.00 (# 1257:10 Single Ambig)
&rst
ixpk= 1257, nxpk= 10, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1886,1887,1888,1890,1891,1892,1663,1664,1665,1667,
1668,1669,
&end
#
# 84 ASN HN 85 GLY HN 8.00 (# 1258:10 Unique 2.39, 2.51 A)
&rst
ixpk= 1258, nxpk= 10, iat=1463,1477, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 82 LEU HA 87 SER HN 6.00 (# 1259:10 Unique 3.29, 3.60 A)
&rst
ixpk= 1259, nxpk= 10, iat=1430,1502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 HIS HB+ 87 SER HN 6.00 (# 1261:10 Unique 3.24, 4.03 A)
&rst
ixpk= 1261, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1488,1489,
&end
#
# 0 AMB 10-2:1262 87 SER HN 6.00 (# 1262:10 Single Ambig)
&rst
ixpk= 1262, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1957,1488,1489,
&end
#
# 88 MET HB- 88 MET HN 6.00 (# 1264:10 Unique 2.20, 2.91 A)
&rst
ixpk= 1264, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1517,1518,
&end
#
# 111 MET ME 88 MET HN 8.00 (# 1266:10 Unique 5.73, 7.60 A)
&rst
ixpk= 1266, nxpk= 10, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1874,1875,1876,
&end
#
# 0 AMB 10-2:1271 0 AMB 10-1:1271 4.50 (# 1271:10 Double Ambig)
&rst
ixpk= 1271, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1158,1546,1098,
igr2=1139,1557,
&end
#
# 0 AMB 10-2:1273 92 SER HN 8.00 (# 1273:10 Single Ambig)
&rst
ixpk= 1273, nxpk= 10, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1561,1040,1041,
&end
#
# 97 GLU HN 98 VAL HN 4.50 (# 1276:10 Unique 2.74, 2.84 A)
&rst
ixpk= 1276, nxpk= 10, iat=1642,1657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1281 99 TYR HN 8.00 (# 1281:10 Single Ambig)
&rst
ixpk= 1281, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1616, 543,
&end
#
# 101 SER HN 100 GLU HN 4.50 (# 1284:10 Unique 2.22, 2.39 A)
&rst
ixpk= 1284, nxpk= 10, iat=1709,1694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 TYR HD 103 LYS HN 8.00 (# 1288:10 Unique 4.31, 6.00 A)
&rst
ixpk= 1288, nxpk= 10, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1681,1690,
&end
#
# 105 GLU HN 104 ASP HN 8.00 (# 1290:10 Unique 4.51, 4.52 A)
&rst
ixpk= 1290, nxpk= 10, iat=1769,1757, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 104 ASP HN 105 GLU HN 6.00 (# 1292:10 Unique 4.51, 4.52 A)
&rst
ixpk= 1292, nxpk= 10, iat=1757,1769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 ASP HB- 105 GLU HN 8.00 (# 1294:10 Unique 2.61, 3.58 A)
&rst
ixpk= 1294, nxpk= 10, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1761,1762,
&end
#
# 52 PHE HN 111 MET HN 8.00 (# 1305:10 Unique 6.08, 6.77 A)
&rst
ixpk= 1305, nxpk= 10, iat= 907,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 83 VAL HA 112 VAL HN 8.00 (# 1307:10 Unique 2.85, 3.27 A)
&rst
ixpk= 1307, nxpk= 10, iat=1449,1880, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 80 PHE HD 116 GLN HN 6.00 (# 1316:10 Unique 2.92, 4.66 A)
&rst
ixpk= 1316, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1397,1405,
&end
#
# 116 GLN HE2- 120 GLY HN 8.00 (# 1326:10 Unique 4.17, 7.62 A)
&rst
ixpk= 1326, nxpk= 10, iat= -1,2004, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1950,1951,
&end
#
# 9 GLN HE2+ 9 GLN HN 8.00 (# 1328:10 Unique 2.56, 5.58 A)
&rst
ixpk= 1328, nxpk= 10, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 151, 152,
&end
#
# 0 AMB 10-2:1329 10 ARG HN 6.00 (# 1329:10 Single Ambig)
&rst
ixpk= 1329, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 180, 139,
&end
#
# 10 ARG HA 10 ARG HN 8.00 (# 1330:10 Unique 2.82, 2.92 A)
&rst
ixpk= 1330, nxpk= 10, iat= 158, 156, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 9 GLN HB+ 10 ARG HN 8.00 (# 1331:10 Unique 2.46, 3.55 A)
&rst
ixpk= 1331, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 143, 144,
&end
#
# 10 ARG HB+ 10 ARG HN 8.00 (# 1332:10 Unique 2.65, 3.42 A)
&rst
ixpk= 1332, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 160, 161,
&end
#
# 10 ARG HG+ 10 ARG HN 6.00 (# 1333:10 Unique 1.74, 2.51 A)
&rst
ixpk= 1333, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 163, 164,
&end
#
# 10 ARG HG- 10 ARG HN 8.00 (# 1335:10 Unique 1.74, 2.51 A)
&rst
ixpk= 1335, nxpk= 10, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 163, 164,
&end
#
# 7 PHE HD 11 ARG HN 8.00 (# 1336:10 Unique 2.92, 5.92 A)
&rst
ixpk= 1336, nxpk= 10, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 105, 113,
&end
#
# 15 GLN HG+ 15 GLN HN 6.00 (# 1337:10 Unique 2.21, 3.00 A)
&rst
ixpk= 1337, nxpk= 10, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 260, 261,
&end
#
# 0 AMB 10-2:1340 90 SER HN 6.00 (# 1340:10 Single Ambig)
&rst
ixpk= 1340, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1550,1551,1532,
&end
#
# 0 AMB 10-2:1342 90 SER HN 6.00 (# 1342:10 Single Ambig)
&rst
ixpk= 1342, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
1541,1542,
&end
#
# 31 ILE QD1 31 ILE HN 6.00 (# 1344:10 Unique 3.89, 5.09 A)
&rst
ixpk= 1344, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 552, 553, 554,
&end
#
# 43 GLN HB- 44 LEU HN 6.00 (# 1345:10 Unique 1.88, 2.72 A)
&rst
ixpk= 1345, nxpk= 10, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 756, 757,
&end
#
# 0 AMB 10-2:1346 43 GLN HN 4.50 (# 1346:10 Single Ambig)
&rst
ixpk= 1346, nxpk= 10, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 722, 723, 756, 757,
&end
#
# 69 ARG HB- 69 ARG HN 4.50 (# 1347:10 Unique 2.10, 2.67 A)
&rst
ixpk= 1347, nxpk= 10, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1205,1206,
&end
#
# 0 AMB 10-2:1348 61 SER HN 8.00 (# 1348:10 Single Ambig)
&rst
ixpk= 1348, nxpk= 10, iat= -1,1053, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1102,1047,1048,1049,
&end
#
# 0 AMB 10-2:1349 74 ASN HD2- 8.00 (# 1349:10 Single Ambig)
&rst
ixpk= 1349, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1=1308,1309,1332,1333,
igr2=1313,1314,
&end
#
# 106 ASP HN 107 GLY HN 6.00 (# 1351:10 Unique 2.05, 2.53 A)
&rst
ixpk= 1351, nxpk= 10, iat=1784,1796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 ILE QG2 99 TYR HN 8.00 (# 1354:10 Unique 3.69, 5.23 A)
&rst
ixpk= 1354, nxpk= 10, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 545, 546, 547,
&end
#
# 0 AMB 10-2:1356 12 THR HN 6.00 (# 1356:10 Single Ambig)
&rst
ixpk= 1356, nxpk= 10, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 210, 211, 212, 184, 185,
&end
#
# 11 ARG HA 12 THR HN 8.00 (# 1357:10 Unique 2.13, 2.15 A)
&rst
ixpk= 1357, nxpk= 10, iat= 182, 204, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, &end
#
# 59 ASN HB+ 59 ASN HD2- 8.00 (# 1361:10 Unique 2.15, 3.30 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1026,1027,
igr2=1031,1032,
&end
#
# 0 AMB 10-2:1362 0 AMB 10-1:1362 6.00 (# 1362:10 Double Ambig)
&rst
ixpk= 1362, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1026,1027, 11, 12,
igr2=1031,1032, 151, 152,
&end
#
# 74 ASN HN 74 ASN HD2+ 8.00 (# 1363:10 Unique 2.75, 4.95 A)
&rst
ixpk= 1363, nxpk= 10, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1313,1314,
&end
#
# 74 ASN HN 74 ASN HD2- 8.00 (# 1364:10 Unique 2.75, 4.95 A)
&rst
ixpk= 1364, nxpk= 10, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1313,1314,
&end
#
# 114 ALA HA 116 GLN HE2- 4.50 (# 1366:10 Unique 3.91, 4.99 A)
&rst
ixpk= 1366, nxpk= 10, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1950,1951,
&end
#
# 0 AMB 10-2:1367 76 ASN HD2- 6.00 (# 1367:10 Single Ambig)
&rst
ixpk= 1367, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1308,1309,1332,1333,1332,1333,
igr2=1337,1338,
&end
#
# 1 MET HA 9 GLN HE2- 6.00 (# 1370:10 Unique 4.42, 6.33 A)
&rst
ixpk= 1370, nxpk= 10, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 151, 152,
&end
#
# 26 GLN HG- 26 GLN HE2- 6.00 (# 1374:10 Unique 2.16, 3.22 A)
&rst
ixpk= 1374, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 461, 462,
igr2= 466, 467,
&end
#
# 22 LEU MDY 26 GLN HE2- 8.00 (# 1375:10 Unique 2.25, 6.07 A)
&rst
ixpk= 1375, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 386, 387, 388, 390, 391, 392,
igr2= 466, 467,
&end
#
# 116 GLN HG- 116 GLN HE2- 6.00 (# 1385:10 Unique 2.15, 3.27 A)
&rst
ixpk= 1385, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1945,1946,
igr2=1950,1951,
&end
#
# 116 GLN HB- 116 GLN HE2- 8.00 (# 1386:10 Unique 2.02, 4.32 A)
&rst
ixpk= 1386, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=1942,1943,
igr2=1950,1951,
&end
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