NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21500 |
2hna   |
cing | 1-original | 4 | AMBER | distance | NOE | simple |
# 33 THR MG2 33 THR HB 4.50 (# 0:20 Unique 2.25, 2.64 A)
&rst
ixpk= 0, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 466, 467, 468,
&end
#
# 6 LEU MDY 33 THR HB 4.50 (# 1:20 Unique 1.97, 4.04 A)
&rst
ixpk= 1, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 85, 86, 87, 89, 90, 91,
&end
#
# 56 THR MG2 56 THR HB 4.50 (# 2:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2, nxpk= 20, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 811, 812, 813,
&end
#
# 32 THR MG2 32 THR HB 3.50 (# 3:20 Unique 2.41, 2.64 A)
&rst
ixpk= 3, nxpk= 20, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 452, 453, 454,
&end
#
# 117 THR MG2 117 THR HB 3.50 (# 4:20 Unique 2.23, 2.64 A)
&rst
ixpk= 4, nxpk= 20, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1711,1712,1713,
&end
#
# 97 THR MG2 97 THR HB 3.50 (# 5:20 Unique 2.23, 2.64 A)
&rst
ixpk= 5, nxpk= 20, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1415,1416,1417,
&end
#
# 5 THR MG2 5 THR HB 4.50 (# 6:20 Unique 2.23, 2.64 A)
&rst
ixpk= 6, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 68, 69, 70,
&end
#
# 11 THR MG2 11 THR HB 3.50 (# 7:20 Unique 2.23, 2.64 A)
&rst
ixpk= 7, nxpk= 20, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 149, 150, 151,
&end
#
# 120 THR MG2 120 THR HB 3.50 (# 8:20 Unique 2.23, 2.64 A)
&rst
ixpk= 8, nxpk= 20, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1747,1748,1749,
&end
#
# 35 THR MG2 35 THR HB 3.50 (# 9:20 Unique 2.23, 2.64 A)
&rst
ixpk= 9, nxpk= 20, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 495, 496, 497,
&end
#
# 18 VAL MGX 18 VAL HA 4.50 (# 10:20 Unique 2.30, 3.42 A)
&rst
ixpk= 10, nxpk= 20, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 18 VAL MGY 18 VAL HA 4.50 (# 11:20 Unique 2.30, 3.42 A)
&rst
ixpk= 11, nxpk= 20, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:12 68 PRO HA 4.50 (# 12:20 Single Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 968, 969,1023,1024,
&end
#
# 0 AMB 20-2:13 68 PRO HA 3.50 (# 13:20 Single Ambig)
&rst
ixpk= 13, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 968, 969,1020,1021,
&end
#
# 66 LEU MDY 54 SER HB+ 5.50 (# 14:20 Unique 1.99, 4.01 A)
&rst
ixpk= 14, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 787, 788,
&end
#
# 66 LEU MDY 54 SER HB- 5.50 (# 16:20 Unique 1.99, 4.01 A)
&rst
ixpk= 16, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 787, 788,
&end
#
# 0 AMB 20-2:18 143 VAL HA 3.50 (# 18:20 Single Ambig)
&rst
ixpk= 18, nxpk= 20, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 143 VAL HB 143 VAL HA 4.50 (# 19:20 Unique 2.99, 3.00 A)
&rst
ixpk= 19, nxpk= 20, iat=2111,2109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LEU MDY 143 VAL HA 4.50 (# 20:20 Unique 1.97, 4.02 A)
&rst
ixpk= 20, nxpk= 20, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 82 ALA MB 47 SER HB- 4.50 (# 23:20 Unique 2.77, 4.84 A)
&rst
ixpk= 23, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1191,1192,1193,
igr2= 672, 673,
&end
#
# 82 ALA MB 47 SER HB+ 4.50 (# 24:20 Unique 2.77, 4.84 A)
&rst
ixpk= 24, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1191,1192,1193,
igr2= 672, 673,
&end
#
# 48 GLY HA- 47 SER HB+ 4.50 (# 26:20 Unique 4.50, 4.87 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 681, 682,
igr2= 672, 673,
&end
#
# 80 LEU HG 112 SER HB+ 7.00 (# 28:20 Unique 3.83, 4.78 A)
&rst
ixpk= 28, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1642,1643,
&end
#
# 80 LEU MDY 112 SER HB- 4.50 (# 29:20 Unique 2.07, 4.79 A)
&rst
ixpk= 29, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1166,1167,1168,1170,1171,1172,
igr2=1642,1643,
&end
#
# 87 ALA MB 120 THR HA 4.50 (# 35:20 Unique 2.29, 3.67 A)
&rst
ixpk= 35, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1268,1269,1270,
&end
#
# 120 THR MG2 120 THR HA 3.50 (# 36:20 Unique 2.47, 3.66 A)
&rst
ixpk= 36, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1747,1748,1749,
&end
#
# 131 PRO HB- 131 PRO HA 5.50 (# 37:20 Unique 2.30, 2.51 A)
&rst
ixpk= 37, nxpk= 20, iat= -1,1937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1934,1935,
&end
#
# 39 PRO HB+ 39 PRO HA 3.50 (# 39:20 Unique 2.30, 2.51 A)
&rst
ixpk= 39, nxpk= 20, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 553, 554,
&end
#
# 11 THR MG2 11 THR HA 4.50 (# 40:20 Unique 2.23, 3.73 A)
&rst
ixpk= 40, nxpk= 20, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 149, 150, 151,
&end
#
# 0 AMB 20-2:41 142 TRP HA 4.50 (# 41:20 Single Ambig)
&rst
ixpk= 41, nxpk= 20, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2076,2077,2076,2077,
&end
#
# 142 TRP HB- 142 TRP HA 4.50 (# 42:20 Unique 2.31, 2.69 A)
&rst
ixpk= 42, nxpk= 20, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2087,2088,
&end
#
# 145 LEU MDX 142 TRP HA 4.50 (# 45:20 Unique 2.70, 4.06 A)
&rst
ixpk= 45, nxpk= 20, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2146,2147,2148,2150,2151,2152,
&end
#
# 78 PRO HB+ 78 PRO HA 3.50 (# 46:20 Unique 2.30, 2.51 A)
&rst
ixpk= 46, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1138,1139,
&end
#
# 78 PRO HB- 78 PRO HA 4.50 (# 47:20 Unique 2.30, 2.51 A)
&rst
ixpk= 47, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1138,1139,
&end
#
# 117 THR MG2 117 THR HA 3.50 (# 48:20 Unique 2.34, 3.14 A)
&rst
ixpk= 48, nxpk= 20, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1711,1712,1713,
&end
#
# 83 VAL MGY 83 VAL HA 4.50 (# 51:20 Unique 2.33, 3.50 A)
&rst
ixpk= 51, nxpk= 20, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 83 VAL HB 83 VAL HA 7.00 (# 52:20 Unique 2.40, 2.42 A)
&rst
ixpk= 52, nxpk= 20, iat=1201,1199, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 83 VAL MGX 83 VAL HA 4.50 (# 54:20 Unique 2.33, 3.50 A)
&rst
ixpk= 54, nxpk= 20, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 7 ILE HB 52 VAL HA 4.50 (# 55:20 Unique 2.11, 2.29 A)
&rst
ixpk= 55, nxpk= 20, iat= 99, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:56 52 VAL HA 4.50 (# 56:20 Single Ambig)
&rst
ixpk= 56, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 754, 755, 756, 758, 759, 760, 105, 106,
&end
#
# 52 VAL MGY 52 VAL HA 4.50 (# 57:20 Unique 2.37, 3.52 A)
&rst
ixpk= 57, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 141 SER HB- 138 TRP HA 7.00 (# 58:20 Unique 2.94, 3.66 A)
&rst
ixpk= 58, nxpk= 20, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2076,2077,
&end
#
# 138 TRP HB+ 138 TRP HA 3.50 (# 59:20 Unique 2.62, 2.84 A)
&rst
ixpk= 59, nxpk= 20, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2026,2027,
&end
#
# 0 AMB 20-2:60 0 AMB 20-1:60 4.50 (# 60:20 Double Ambig)
&rst
ixpk= 60, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 962, 963, 962, 963,
igr2= 954, 955, 954, 955,
&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= 7.14, r4= 7.64,
igr1= 962, 963, 962, 963,
igr2= 954, 955, 954, 955,
&end
#
# 0 AMB 20-2:62 81 SER HA 3.50 (# 62:20 Single Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1180,1181,1180,1181,
&end
#
# 0 AMB 20-2:63 0 AMB 20-1:63 5.50 (# 63:20 Double Ambig)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 940, 941, 942, 944, 945, 946, 166, 167, 168, 170,
171, 172,
igr2= 954, 955, 954, 955, 954, 955,
&end
#
# 73 LEU MDY 70 TYR HA 4.50 (# 64:20 Unique 1.99, 4.25 A)
&rst
ixpk= 64, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 70 TYR HB- 70 TYR HA 4.50 (# 65:20 Unique 2.23, 2.56 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 999,1000,
&end
#
# 97 THR HB 97 THR HA 4.50 (# 66:20 Unique 2.38, 2.51 A)
&rst
ixpk= 66, nxpk= 20, iat=1413,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 THR MG2 97 THR HA 3.50 (# 67:20 Unique 2.14, 3.27 A)
&rst
ixpk= 67, nxpk= 20, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1415,1416,1417,
&end
#
# 72 ALA MB 69 PHE HA 4.50 (# 68:20 Unique 3.23, 4.18 A)
&rst
ixpk= 68, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1035,1036,1037,
&end
#
# 70 TYR HB+ 70 TYR HA 5.50 (# 69:20 Unique 2.23, 2.56 A)
&rst
ixpk= 69, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 999,1000,
&end
#
# 69 PHE HB+ 69 PHE HA 5.50 (# 70:20 Unique 2.71, 2.84 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 979, 980,
&end
#
# 69 PHE HB- 69 PHE HA 7.00 (# 71:20 Unique 2.71, 2.84 A)
&rst
ixpk= 71, nxpk= 20, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 979, 980,
&end
#
# 0 AMB 20-2:72 141 SER HA 5.50 (# 72:20 Single Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2127,2128,2127,2128,
&end
#
# 0 AMB 20-2:73 141 SER HA 3.50 (# 73:20 Single Ambig)
&rst
ixpk= 73, nxpk= 20, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2076,2077,2076,2077,
&end
#
# 123 ILE MG2 123 ILE HA 4.50 (# 74:20 Unique 2.26, 2.93 A)
&rst
ixpk= 74, nxpk= 20, iat= -1,1798, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1802,1803,1804,
&end
#
# 136 GLU HG+ 136 GLU HA 4.50 (# 75:20 Unique 3.56, 3.76 A)
&rst
ixpk= 75, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1999,2000,
&end
#
# 136 GLU HB+ 136 GLU HA 3.50 (# 76:20 Unique 2.38, 2.45 A)
&rst
ixpk= 76, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1996,1997,
&end
#
# 7 ILE MG2 7 ILE HA 7.00 (# 77:20 Unique 2.22, 2.90 A)
&rst
ixpk= 77, nxpk= 20, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 101, 102, 103,
&end
#
# 139 LEU HB+ 136 GLU HA 4.50 (# 78:20 Unique 2.82, 3.82 A)
&rst
ixpk= 78, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2050,2051,
&end
#
# 139 LEU HB- 136 GLU HA 4.50 (# 79:20 Unique 2.82, 3.82 A)
&rst
ixpk= 79, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2050,2051,
&end
#
# 109 LEU MDY 106 GLU HA 4.50 (# 80:20 Unique 2.23, 4.25 A)
&rst
ixpk= 80, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:81 110 LYS HA 3.50 (# 81:20 Single Ambig)
&rst
ixpk= 81, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1606,1607,1606,1607,
&end
#
# 110 LYS HG+ 110 LYS HA 4.50 (# 82:20 Unique 2.81, 2.94 A)
&rst
ixpk= 82, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1609,1610,
&end
#
# 109 LEU MDY 106 GLU HA 5.50 (# 83:20 Unique 2.23, 4.25 A)
&rst
ixpk= 83, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:84 106 GLU HA 3.50 (# 84:20 Single Ambig)
&rst
ixpk= 84, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1550,1551,1547,1548,
&end
#
# 109 LEU HB+ 106 GLU HA 5.50 (# 85:20 Unique 2.13, 2.97 A)
&rst
ixpk= 85, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1587,1588,
&end
#
# 106 GLU HG+ 106 GLU HA 7.00 (# 86:20 Unique 2.07, 3.01 A)
&rst
ixpk= 86, nxpk= 20, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1550,1551,
&end
#
# 0 AMB 20-2:87 0 AMB 20-1:87 3.50 (# 87:20 Double Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 269, 270, 330, 331,
igr2= 264, 325,
&end
#
# 23 ALA MB 0 AMB 20-1:88 4.50 (# 88:20 Single Ambig)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 317, 318, 319,
igr2= 264, 325,
&end
#
# 88 ILE MG2 88 ILE HA 5.50 (# 89:20 Unique 2.29, 3.05 A)
&rst
ixpk= 89, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1280,1281,1282,
&end
#
# 104 LYS HB+ 104 LYS HA 4.50 (# 90:20 Unique 2.46, 2.77 A)
&rst
ixpk= 90, nxpk= 20, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1506,1507,
&end
#
# 107 ALA MB 104 LYS HA 4.50 (# 91:20 Unique 2.09, 2.96 A)
&rst
ixpk= 91, nxpk= 20, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1562,1563,1564,
&end
#
# 104 LYS HG- 104 LYS HA 4.50 (# 95:20 Unique 2.29, 2.92 A)
&rst
ixpk= 95, nxpk= 20, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1509,1510,
&end
#
# 0 AMB 20-2:96 24 GLU HA 2.80 (# 96:20 Single Ambig)
&rst
ixpk= 96, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 327, 328, 383, 384, 383, 384,
&end
#
# 108 GLU HG+ 104 LYS HA 4.50 (# 98:20 Unique 4.51, 5.34 A)
&rst
ixpk= 98, nxpk= 20, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1575,1576,
&end
#
# 137 GLU HB+ 137 GLU HA 3.50 (# 99:20 Unique 2.82, 2.85 A)
&rst
ixpk= 99, nxpk= 20, iat= -1,2009, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2011,2012,
&end
#
# 0 AMB 20-2:100 0 AMB 20-1:100 5.50 (# 100:20 Double Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1447,1448, 386, 387,
igr2=1445, 325,
&end
#
# 121 LEU HB+ 88 ILE HA 4.50 (# 101:20 Unique 2.09, 2.65 A)
&rst
ixpk= 101, nxpk= 20, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1759,1760,
&end
#
# 71 GLU HG+ 71 GLU HA 5.50 (# 102:20 Unique 2.16, 2.83 A)
&rst
ixpk= 102, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1023,1024,
&end
#
# 28 GLU HG+ 28 GLU HA 5.50 (# 103:20 Unique 2.86, 3.34 A)
&rst
ixpk= 103, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 401, 402,
&end
#
# 28 GLU HB- 28 GLU HA 3.50 (# 104:20 Unique 2.40, 2.78 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 398, 399,
&end
#
# 71 GLU HG- 71 GLU HA 4.50 (# 105:20 Unique 2.16, 2.83 A)
&rst
ixpk= 105, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1023,1024,
&end
#
# 0 AMB 20-2:106 71 GLU HA 3.50 (# 106:20 Single Ambig)
&rst
ixpk= 106, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1020,1021,1081,1082,
&end
#
# 21 HIS HB+ 21 HIS HA 4.50 (# 107:20 Unique 2.40, 2.73 A)
&rst
ixpk= 107, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 281, 282,
&end
#
# 21 HIS HB- 21 HIS HA 5.50 (# 108:20 Unique 2.40, 2.73 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 281, 282,
&end
#
# 0 AMB 20-2:109 105 LEU HA 4.50 (# 109:20 Single Ambig)
&rst
ixpk= 109, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1528,1529,1572,1573,
&end
#
# 0 AMB 20-2:110 105 LEU HA 5.50 (# 110:20 Single Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1531,1045,1046,
&end
#
# 105 LEU HB- 105 LEU HA 5.50 (# 111:20 Unique 2.57, 2.80 A)
&rst
ixpk= 111, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1528,1529,
&end
#
# 105 LEU MDY 105 LEU HA 4.50 (# 112:20 Unique 1.96, 3.17 A)
&rst
ixpk= 112, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:113 74 GLN HA 3.50 (# 113:20 Single Ambig)
&rst
ixpk= 113, nxpk= 20, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1064,1065,1067,1068,
&end
#
# 41 LEU HB+ 41 LEU HA 5.50 (# 114:20 Unique 2.61, 2.84 A)
&rst
ixpk= 114, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 583, 584,
&end
#
# 41 LEU HG 41 LEU HA 5.50 (# 115:20 Unique 2.15, 2.18 A)
&rst
ixpk= 115, nxpk= 20, iat= 586, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU MDY 41 LEU HA 4.50 (# 116:20 Unique 3.32, 4.06 A)
&rst
ixpk= 116, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 588, 589, 590, 592, 593, 594,
&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= 4.24, r4= 4.74,
igr1=1064,1065,1067,1068,1067,1068,
igr2=1062,1018,
&end
#
# 109 LEU MDX 109 LEU HA 4.50 (# 119:20 Unique 1.97, 3.62 A)
&rst
ixpk= 119, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU HB- 109 LEU HA 4.50 (# 120:20 Unique 2.50, 2.76 A)
&rst
ixpk= 120, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1587,1588,
&end
#
# 130 ILE MG2 130 ILE HA 4.50 (# 121:20 Unique 2.74, 3.39 A)
&rst
ixpk= 121, nxpk= 20, iat= -1,1910, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1914,1915,1916,
&end
#
# 131 PRO HD- 130 ILE HA 4.50 (# 122:20 Unique 3.77, 3.91 A)
&rst
ixpk= 122, nxpk= 20, iat= -1,1910, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1928,1929,
&end
#
# 130 ILE HB 130 ILE HA 5.50 (# 123:20 Unique 2.97, 2.98 A)
&rst
ixpk= 123, nxpk= 20, iat=1912,1910, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 LYS HG+ 147 LYS HA 4.50 (# 124:20 Unique 2.15, 2.54 A)
&rst
ixpk= 124, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2182,2183,
&end
#
# 0 AMB 20-2:126 73 LEU HA 5.50 (# 126:20 Single Ambig)
&rst
ixpk= 126, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1572,1573,1067,1068,1096,1097,1135,1136,
&end
#
# 73 LEU HB- 73 LEU HA 5.50 (# 127:20 Unique 2.58, 2.79 A)
&rst
ixpk= 127, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1045,1046,
&end
#
# 41 LEU MDX 73 LEU HA 5.50 (# 128:20 Unique 3.21, 5.06 A)
&rst
ixpk= 128, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:129 0 AMB 20-1:129 3.50 (# 129:20 Double Ambig)
&rst
ixpk= 129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1084,1085, 364, 365, 605, 606,
igr2=1079, 362, 600,
&end
#
# 0 AMB 20-2:130 0 AMB 20-1:130 2.80 (# 130:20 Double Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 602, 603,1081,1082,
igr2= 600,1079,
&end
#
# 0 AMB 20-2:131 26 LEU HA 4.50 (# 131:20 Single Ambig)
&rst
ixpk= 131, nxpk= 20, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 413, 414, 415, 342, 343,
&end
#
# 146 LEU HG 147 LYS HA 7.00 (# 132:20 Unique 3.13, 3.48 A)
&rst
ixpk= 132, nxpk= 20, iat=2163,2177, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 78 PRO HD+ 73 LEU HA 4.50 (# 134:20 Unique 4.09, 4.38 A)
&rst
ixpk= 134, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1132,1133,
&end
#
# 73 LEU MDX 73 LEU HA 4.50 (# 135:20 Unique 1.92, 3.76 A)
&rst
ixpk= 135, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:136 0 AMB 20-1:136 5.50 (# 136:20 Double Ambig)
&rst
ixpk= 136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 466, 467, 468,1116,1117, 298, 299,
igr2= 362,1079,
&end
#
# 0 AMB 20-2:137 0 AMB 20-1:137 3.50 (# 137:20 Double Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 369, 370, 371, 373, 374, 375, 68, 69, 70,
igr2= 362, 600,
&end
#
# 147 LYS HB- 147 LYS HA 4.50 (# 138:20 Unique 2.78, 2.85 A)
&rst
ixpk= 138, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2179,2180,
&end
#
# 108 GLU HB+ 108 GLU HA 3.50 (# 139:20 Unique 2.54, 2.79 A)
&rst
ixpk= 139, nxpk= 20, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1572,1573,
&end
#
# 111 ASN HB- 108 GLU HA 3.50 (# 140:20 Unique 2.12, 3.07 A)
&rst
ixpk= 140, nxpk= 20, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1628,1629,
&end
#
# 139 LEU MDX 139 LEU HA 4.50 (# 141:20 Unique 2.14, 3.56 A)
&rst
ixpk= 141, nxpk= 20, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2055,2056,2057,2059,2060,2061,
&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= 4.95, r4= 5.45,
igr1=2050,2051, 342, 343,
igr2=2048, 296,
&end
#
# 3 ASP HB+ 3 ASP HA 4.50 (# 143:20 Unique 2.69, 2.83 A)
&rst
ixpk= 143, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 35, 36,
&end
#
# 3 ASP HB- 3 ASP HA 3.50 (# 144:20 Unique 2.69, 2.83 A)
&rst
ixpk= 144, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 35, 36,
&end
#
# 0 AMB 20-2:145 139 LEU HA 5.50 (# 145:20 Single Ambig)
&rst
ixpk= 145, nxpk= 20, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2055,2056,2057,2059,2060,2061,1764,1765,1766,1768,
1769,1770,2113,2114,2115,2117,2118,2119,
&end
#
# 0 AMB 20-2:146 0 AMB 20-1:146 3.50 (# 146:20 Double Ambig)
&rst
ixpk= 146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 303, 304, 305, 307, 308, 309,1764,1765,1766,1768,
1769,1770, 369, 370, 371, 373, 374, 375,
igr2= 296,2048,
&end
#
# 0 AMB 20-2:147 22 LEU HA 5.50 (# 147:20 Single Ambig)
&rst
ixpk= 147, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 298, 299, 342, 343,
&end
#
# 25 LYS HB- 25 LYS HA 4.50 (# 148:20 Unique 2.39, 2.71 A)
&rst
ixpk= 148, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 342, 343,
&end
#
# 94 GLU HG- 94 GLU HA 4.50 (# 149:20 Unique 2.06, 3.08 A)
&rst
ixpk= 149, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1368,1369,
&end
#
# 0 AMB 20-2:150 0 AMB 20-1:150 3.50 (# 150:20 Double Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 909, 910,1494,1495,
igr2= 907,1492,
&end
#
# 0 AMB 20-2:151 103 ASP HA 4.50 (# 151:20 Single Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1550,1551,1547,1548,
&end
#
# 0 AMB 20-2:152 25 LYS HA 4.50 (# 152:20 Single Ambig)
&rst
ixpk= 152, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 398, 399, 330, 331,
&end
#
# 25 LYS HD+ 25 LYS HA 4.50 (# 153:20 Unique 2.21, 2.99 A)
&rst
ixpk= 153, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 348, 349,
&end
#
# 94 GLU HB+ 94 GLU HA 3.50 (# 154:20 Unique 2.24, 2.76 A)
&rst
ixpk= 154, nxpk= 20, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1365,1366,
&end
#
# 76 GLN HB+ 76 GLN HA 3.50 (# 155:20 Unique 2.35, 2.45 A)
&rst
ixpk= 155, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1096,1097,
&end
#
# 0 AMB 20-2:156 76 GLN HA 3.50 (# 156:20 Single Ambig)
&rst
ixpk= 156, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1099,1100,1099,1100,
&end
#
# 0 AMB 20-2:157 0 AMB 20-1:157 3.50 (# 157:20 Double Ambig)
&rst
ixpk= 157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1096,1097, 342, 343,
igr2=1094, 340,
&end
#
# 83 VAL MGX 47 SER HA 3.50 (# 159:20 Unique 3.76, 4.46 A)
&rst
ixpk= 159, nxpk= 20, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:160 47 SER HA 3.50 (# 160:20 Single Ambig)
&rst
ixpk= 160, nxpk= 20, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 672, 673, 672, 673,
&end
#
# 82 ALA MB 47 SER HA 3.50 (# 161:20 Unique 2.25, 3.77 A)
&rst
ixpk= 161, nxpk= 20, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1191,1192,1193,
&end
#
# 78 PRO HD+ 77 LYS HA 4.50 (# 162:20 Unique 2.19, 2.64 A)
&rst
ixpk= 162, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1132,1133,
&end
#
# 77 LYS HB+ 77 LYS HA 3.50 (# 163:20 Unique 2.61, 2.81 A)
&rst
ixpk= 163, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1113,1114,
&end
#
# 77 LYS HG+ 77 LYS HA 4.50 (# 164:20 Unique 2.15, 2.78 A)
&rst
ixpk= 164, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1116,1117,
&end
#
# 23 ALA MB 23 ALA HA 3.50 (# 165:20 Unique 2.23, 2.63 A)
&rst
ixpk= 165, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 317, 318, 319,
&end
#
# 0 AMB 20-2:166 23 ALA HA 3.50 (# 166:20 Single Ambig)
&rst
ixpk= 166, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 466, 467, 468, 298, 299,
&end
#
# 0 AMB 20-2:167 23 ALA HA 3.50 (# 167:20 Single Ambig)
&rst
ixpk= 167, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
&end
#
# 26 LEU HB+ 23 ALA HA 5.50 (# 168:20 Unique 2.58, 3.25 A)
&rst
ixpk= 168, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 364, 365,
&end
#
# 34 GLU HG- 34 GLU HA 4.50 (# 169:20 Unique 2.06, 2.59 A)
&rst
ixpk= 169, nxpk= 20, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 481, 482,
&end
#
# 34 GLU HB+ 34 GLU HA 3.50 (# 170:20 Unique 2.75, 2.84 A)
&rst
ixpk= 170, nxpk= 20, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 478, 479,
&end
#
# 96 ASP HB+ 96 ASP HA 2.80 (# 171:20 Unique 2.28, 2.68 A)
&rst
ixpk= 171, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1401,1402,
&end
#
# 0 AMB 20-2:172 19 ALA HA 5.50 (# 172:20 Single Ambig)
&rst
ixpk= 172, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 296, 315,
&end
#
# 116 GLN HG- 116 GLN HA 4.50 (# 173:20 Unique 2.34, 2.83 A)
&rst
ixpk= 173, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1695,1696,
&end
#
# 0 AMB 20-2:174 111 ASN HA 3.50 (# 174:20 Single Ambig)
&rst
ixpk= 174, nxpk= 20, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1628,1629,1628,1629,
&end
#
# 0 AMB 20-2:176 19 ALA HA 4.50 (# 176:20 Single Ambig)
&rst
ixpk= 176, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 242, 243, 244, 246, 247, 248, 85, 86, 87, 89,
90, 91,
&end
#
# 0 AMB 20-2:177 19 ALA HA 3.50 (# 177:20 Single Ambig)
&rst
ixpk= 177, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 777, 778, 779, 242, 243, 244, 246, 247, 248, 774,
775,
&end
#
# 0 AMB 20-2:178 116 GLN HA 5.50 (# 178:20 Single Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1692,1693,1217,1218,
&end
#
# 116 GLN HB- 116 GLN HA 5.50 (# 179:20 Unique 2.45, 2.76 A)
&rst
ixpk= 179, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1692,1693,
&end
#
# 145 LEU HB- 145 LEU HA 4.50 (# 180:20 Unique 2.75, 2.84 A)
&rst
ixpk= 180, nxpk= 20, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2141,2142,
&end
#
# 145 LEU HB+ 145 LEU HA 4.50 (# 181:20 Unique 2.75, 2.84 A)
&rst
ixpk= 181, nxpk= 20, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2141,2142,
&end
#
# 19 ALA MB 19 ALA HA 3.50 (# 182:20 Unique 2.23, 2.63 A)
&rst
ixpk= 182, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 256, 257, 258,
&end
#
# 0 AMB 20-2:183 144 ASN HA 2.80 (# 183:20 Single Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2127,2128,2127,2128,
&end
#
# 0 AMB 20-2:184 145 LEU HA 3.50 (# 184:20 Single Ambig)
&rst
ixpk= 184, nxpk= 20, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2144,2146,2147,2148,2150,2151,2152,
&end
#
# 146 LEU HB+ 146 LEU HA 4.50 (# 185:20 Unique 2.25, 2.44 A)
&rst
ixpk= 185, nxpk= 20, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2160,2161,
&end
#
# 147 LYS HD+ 144 ASN HA 7.00 (# 187:20 Unique 2.13, 3.63 A)
&rst
ixpk= 187, nxpk= 20, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2185,2186,
&end
#
# 0 AMB 20-2:188 107 ALA HA 4.50 (# 188:20 Single Ambig)
&rst
ixpk= 188, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1606,1607,1606,1607,
&end
#
# 146 LEU HB- 146 LEU HA 4.50 (# 189:20 Unique 2.25, 2.44 A)
&rst
ixpk= 189, nxpk= 20, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2160,2161,
&end
#
# 0 AMB 20-2:190 146 LEU HA 4.50 (# 190:20 Single Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2163,1711,1712,1713,
&end
#
# 43 ASP HB+ 43 ASP HA 2.80 (# 191:20 Unique 2.82, 2.85 A)
&rst
ixpk= 191, nxpk= 20, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 617, 618,
&end
#
# 12 LEU HB+ 12 LEU HA 3.50 (# 192:20 Unique 2.43, 2.82 A)
&rst
ixpk= 192, nxpk= 20, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 161, 162,
&end
#
# 76 GLN HG+ 72 ALA HA 4.50 (# 193:20 Unique 4.55, 5.18 A)
&rst
ixpk= 193, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1099,1100,
&end
#
# 0 AMB 20-2:194 72 ALA HA 4.50 (# 194:20 Single Ambig)
&rst
ixpk= 194, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1081,1082,1081,1082,
&end
#
# 72 ALA MB 72 ALA HA 3.50 (# 195:20 Unique 2.26, 2.63 A)
&rst
ixpk= 195, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1035,1036,1037,
&end
#
# 107 ALA MB 107 ALA HA 2.80 (# 196:20 Unique 2.22, 2.63 A)
&rst
ixpk= 196, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1562,1563,1564,
&end
#
# 146 LEU MDX 146 LEU HA 4.50 (# 199:20 Unique 3.78, 4.71 A)
&rst
ixpk= 199, nxpk= 20, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 61 ASP HB+ 65 ASN HA 4.50 (# 200:20 Unique 2.05, 3.43 A)
&rst
ixpk= 200, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 864, 865,
&end
#
# 65 ASN HB+ 65 ASN HA 4.50 (# 201:20 Unique 2.35, 2.75 A)
&rst
ixpk= 201, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 921, 922,
&end
#
# 65 ASN HB- 65 ASN HA 4.50 (# 202:20 Unique 2.35, 2.75 A)
&rst
ixpk= 202, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 921, 922,
&end
#
# 121 LEU HG 121 LEU HA 4.50 (# 207:20 Unique 2.17, 2.32 A)
&rst
ixpk= 207, nxpk= 20, iat=1762,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 LEU MDX 121 LEU HA 3.50 (# 208:20 Unique 2.54, 4.12 A)
&rst
ixpk= 208, nxpk= 20, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 0 AMB 20-2:209 40 LEU HA 7.00 (# 209:20 Single Ambig)
&rst
ixpk= 209, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 567, 583, 584,
&end
#
# 40 LEU HB- 40 LEU HA 4.50 (# 210:20 Unique 2.59, 2.79 A)
&rst
ixpk= 210, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 565,
&end
#
# 0 AMB 20-2:211 40 LEU HA 3.50 (# 211:20 Single Ambig)
&rst
ixpk= 211, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575,
&end
#
# 36 LEU HG 36 LEU HA 5.50 (# 212:20 Unique 3.43, 3.44 A)
&rst
ixpk= 212, nxpk= 20, iat= 510, 505, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LEU HB- 36 LEU HA 5.50 (# 213:20 Unique 2.21, 2.55 A)
&rst
ixpk= 213, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 507, 508,
&end
#
# 36 LEU MDY 36 LEU HA 4.50 (# 214:20 Unique 3.09, 4.40 A)
&rst
ixpk= 214, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 40 LEU HB+ 40 LEU HA 4.50 (# 215:20 Unique 2.59, 2.79 A)
&rst
ixpk= 215, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 565,
&end
#
# 59 ALA MB 59 ALA HA 3.50 (# 217:20 Unique 2.22, 2.63 A)
&rst
ixpk= 217, nxpk= 20, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 847, 848, 849,
&end
#
# 0 AMB 20-2:218 0 AMB 20-1:218 2.80 (# 218:20 Double Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 413, 414, 415, 629, 630,
igr2= 411, 627,
&end
#
# 44 LEU MDX 44 LEU HA 4.50 (# 220:20 Unique 2.00, 3.65 A)
&rst
ixpk= 220, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 45 PRO HD+ 44 LEU HA 3.50 (# 221:20 Unique 2.32, 2.40 A)
&rst
ixpk= 221, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 645, 646,
&end
#
# 45 PRO HD- 44 LEU HA 4.50 (# 222:20 Unique 2.32, 2.40 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 645, 646,
&end
#
# 0 AMB 20-2:223 0 AMB 20-1:223 5.50 (# 223:20 Double Ambig)
&rst
ixpk= 223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
igr1= 629, 630,2113,2114,2115,2117,2118,2119,2113,2114,
2115,2117,2118,2119,
igr2= 627, 411,
&end
#
# 46 ALA MB 46 ALA HA 3.50 (# 224:20 Unique 2.29, 2.63 A)
&rst
ixpk= 224, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 662, 663, 664,
&end
#
# 80 LEU MDX 46 ALA HA 4.50 (# 225:20 Unique 2.21, 4.29 A)
&rst
ixpk= 225, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 83 VAL MGX 46 ALA HA 4.50 (# 226:20 Unique 1.99, 4.05 A)
&rst
ixpk= 226, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 2 ALA MB 2 ALA HA 3.50 (# 230:20 Unique 2.22, 2.63 A)
&rst
ixpk= 230, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 25, 26, 27,
&end
#
# 55 SER HB+ 131 PRO HD- 4.50 (# 231:20 Unique 4.97, 7.70 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 798, 799,
igr2=1928,1929,
&end
#
# 130 ILE MG2 131 PRO HD- 4.50 (# 233:20 Unique 1.90, 3.47 A)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1914,1915,1916,
igr2=1928,1929,
&end
#
# 130 ILE HB 131 PRO HD+ 4.50 (# 234:20 Unique 1.81, 2.11 A)
&rst
ixpk= 234, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1928,1929,
&end
#
# 76 GLN HB+ 78 PRO HD- 7.00 (# 236:20 Unique 2.21, 3.95 A)
&rst
ixpk= 236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1096,1097,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:237 0 AMB 20-1:237 3.50 (# 237:20 Double Ambig)
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 954, 955,1111,
igr2= 962, 963,1132,1133,
&end
#
# 0 AMB 20-2:239 0 AMB 20-1:239 3.50 (# 239:20 Double Ambig)
&rst
ixpk= 239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1096,1097,1135,1136, 965, 966,
igr2=1132,1133,1132,1133, 962, 963,
&end
#
# 0 AMB 20-2:241 78 PRO HD- 3.50 (# 241:20 Single Ambig)
&rst
ixpk= 241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1096,1097,1135,1136,
igr2=1132,1133,
&end
#
# 44 LEU HB+ 45 PRO HD+ 5.50 (# 242:20 Unique 1.83, 3.33 A)
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 629, 630,
igr2= 645, 646,
&end
#
# 68 PRO HG+ 68 PRO HD+ 4.50 (# 243:20 Unique 2.30, 2.58 A)
&rst
ixpk= 243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 965, 966,
igr2= 962, 963,
&end
#
# 0 AMB 20-2:245 0 AMB 20-1:245 4.50 (# 245:20 Double Ambig)
&rst
ixpk= 245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 648, 649, 968, 969,
igr2= 645, 646, 962, 963,
&end
#
# 44 LEU HB- 45 PRO HD+ 7.00 (# 246:20 Unique 1.83, 3.33 A)
&rst
ixpk= 246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 629, 630,
igr2= 645, 646,
&end
#
# 0 AMB 20-2:248 0 AMB 20-1:248 4.50 (# 248:20 Double Ambig)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 648, 649, 968, 969,
igr2= 645, 646, 962, 963,
&end
#
# 44 LEU MDX 45 PRO HD- 4.50 (# 249:20 Unique 2.45, 4.38 A)
&rst
ixpk= 249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 645, 646,
&end
#
# 45 PRO HG- 45 PRO HD- 4.50 (# 250:20 Unique 2.30, 2.58 A)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 648, 649,
igr2= 645, 646,
&end
#
# 45 PRO HG- 45 PRO HD+ 5.50 (# 251:20 Unique 2.30, 2.58 A)
&rst
ixpk= 251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 648, 649,
igr2= 645, 646,
&end
#
# 44 LEU HB- 45 PRO HD- 7.00 (# 252:20 Unique 1.83, 3.33 A)
&rst
ixpk= 252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 629, 630,
igr2= 645, 646,
&end
#
# 143 VAL MGX 140 GLY HA- 5.50 (# 261:20 Unique 3.65, 5.61 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2113,2114,2115,2117,2118,2119,
igr2=2067,2068,
&end
#
# 56 THR MG2 60 GLY HA- 5.50 (# 266:20 Unique 4.26, 5.80 A)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 811, 812, 813,
igr2= 855, 856,
&end
#
# 56 THR MG2 60 GLY HA- 5.50 (# 267:20 Unique 4.26, 5.80 A)
&rst
ixpk= 267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 811, 812, 813,
igr2= 855, 856,
&end
#
# 56 THR HB 60 GLY HA+ 5.50 (# 271:20 Unique 3.91, 5.08 A)
&rst
ixpk= 271, nxpk= 20, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 855, 856,
&end
#
# 0 AMB 20-2:282 118 GLY HA- 4.50 (# 282:20 Single Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1711,1712,1713,2146,2147,2148,2150,2151,2152,
igr2=1721,1722,
&end
#
# 0 AMB 20-2:284 0 AMB 20-1:284 4.50 (# 284:20 Double Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1711,1712,1713,2146,2147,2148,2150,2151,2152,
igr2=1721,1722,1721,1722,
&end
#
# 0 AMB 20-2:285 0 AMB 20-1:285 4.50 (# 285:20 Double Ambig)
&rst
ixpk= 285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1711,1712,1713,2146,2147,2148,2150,2151,2152,
igr2=1721,1722,1721,1722,
&end
#
# 6 LEU MDX 51 LEU HB+ 4.50 (# 287:20 Unique 1.97, 3.49 A)
&rst
ixpk= 287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:289 0 AMB 20-1:289 3.50 (# 289:20 Double Ambig)
&rst
ixpk= 289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1217,1218,1220,1221,1220,1221,
igr2=1223,1224,1223,1224,1223,1224,
&end
#
# 0 AMB 20-2:291 84 ARG HD- 3.50 (# 291:20 Single Ambig)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1217,1218,1220,1221,1220,1221,
igr2=1223,1224,
&end
#
# 51 LEU MDX 51 LEU HB+ 5.50 (# 294:20 Unique 2.26, 3.30 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 733, 734,
&end
#
# 6 LEU MDX 51 LEU HB- 5.50 (# 296:20 Unique 1.97, 3.49 A)
&rst
ixpk= 296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 733, 734,
&end
#
# 130 ILE MG2 89 GLY HA- 5.50 (# 298:20 Unique 4.27, 6.21 A)
&rst
ixpk= 298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1914,1915,1916,
igr2=1295,1296,
&end
#
# 36 LEU MDX 36 LEU HB+ 5.50 (# 299:20 Unique 2.03, 3.22 A)
&rst
ixpk= 299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 507, 508,
&end
#
# 36 LEU HG 36 LEU HB+ 5.50 (# 300:20 Unique 2.63, 2.81 A)
&rst
ixpk= 300, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 507, 508,
&end
#
# 36 LEU HG 36 LEU HB- 5.50 (# 303:20 Unique 2.63, 2.81 A)
&rst
ixpk= 303, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 507, 508,
&end
#
# 0 AMB 20-2:304 0 AMB 20-1:304 5.50 (# 304:20 Double Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1609,1610,1692,1693,
igr2=1615,1616,1615,1616,
&end
#
# 0 AMB 20-2:305 0 AMB 20-1:305 4.50 (# 305:20 Double Ambig)
&rst
ixpk= 305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1612,1613,1612,1613,
igr2=1615,1616,1615,1616,
&end
#
# 0 AMB 20-2:306 110 LYS HE- 4.50 (# 306:20 Single Ambig)
&rst
ixpk= 306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1612,1613,1612,1613,
igr2=1615,1616,
&end
#
# 0 AMB 20-2:307 139 LEU HB- 4.50 (# 307:20 Single Ambig)
&rst
ixpk= 307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2048,1994,
igr2=2050,2051,
&end
#
# 0 AMB 20-2:308 0 AMB 20-1:308 7.00 (# 308:20 Double Ambig)
&rst
ixpk= 308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=2048,1994,
igr2=2050,2051,2050,2051,
&end
#
# 139 LEU MDY 139 LEU HB+ 4.50 (# 310:20 Unique 2.16, 3.34 A)
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2055,2056,2057,2059,2060,2061,
igr2=2050,2051,
&end
#
# 146 LEU HA 146 LEU HB+ 5.50 (# 311:20 Unique 2.25, 2.44 A)
&rst
ixpk= 311, nxpk= 20, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2160,2161,
&end
#
# 146 LEU HA 146 LEU HB+ 5.50 (# 312:20 Unique 2.25, 2.44 A)
&rst
ixpk= 312, nxpk= 20, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2160,2161,
&end
#
# 146 LEU MDY 146 LEU HB- 5.50 (# 313:20 Unique 2.02, 3.22 A)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2160,2161,
&end
#
# 0 AMB 20-2:316 0 AMB 20-1:316 5.50 (# 316:20 Double Ambig)
&rst
ixpk= 316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2055,2056,2057,2059,2060,2061,1533,1534,1535,1537,
1538,1539,
igr2=2050,2051,1528,1529,
&end
#
# 115 LYS HG+ 115 LYS HE+ 5.50 (# 317:20 Unique 2.00, 2.97 A)
&rst
ixpk= 317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1673,1674,
igr2=1679,1680,
&end
#
# 77 LYS HG- 77 LYS HE+ 5.50 (# 318:20 Unique 2.07, 3.05 A)
&rst
ixpk= 318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1116,1117,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:320 0 AMB 20-1:320 4.50 (# 320:20 Double Ambig)
&rst
ixpk= 320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1526,2048,1994,
igr2=1528,1529,2050,2051,
&end
#
# 73 LEU HA 77 LYS HE+ 7.00 (# 321:20 Unique 7.02, 7.57 A)
&rst
ixpk= 321, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:322 0 AMB 20-1:322 3.50 (# 322:20 Double Ambig)
&rst
ixpk= 322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1676,1677,1119,1120,
igr2=1679,1680,1122,1123,
&end
#
# 147 LYS HD+ 147 LYS HE+ 3.50 (# 323:20 Unique 2.33, 2.57 A)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2185,2186,
igr2=2188,2189,
&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= 7.14, r4= 7.64,
igr1=2182,2183, 345, 346,
igr2=2188,2189, 351, 352,
&end
#
# 0 AMB 20-2:325 25 LYS HE- 3.50 (# 325:20 Single Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 401, 402, 330, 331,
igr2= 351, 352,
&end
#
# 0 AMB 20-2:328 0 AMB 20-1:328 4.50 (# 328:20 Double Ambig)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1533,1534,1535,1537,1538,1539, 940, 941, 942, 944,
945, 946,
igr2=1528,1529,1528,1529,
&end
#
# 0 AMB 20-2:330 0 AMB 20-1:330 4.50 (# 330:20 Double Ambig)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1526,2158,
igr2=1528,1529,2141,2142,
&end
#
# 32 THR MG2 3 ASP HB- 5.50 (# 332:20 Unique 4.46, 5.68 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 452, 453, 454,
igr2= 35, 36,
&end
#
# 147 LYS HG- 147 LYS HE+ 4.50 (# 333:20 Unique 2.21, 3.40 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2182,2183,
igr2=2188,2189,
&end
#
# 6 LEU HG 6 LEU HB- 4.50 (# 336:20 Unique 2.37, 2.43 A)
&rst
ixpk= 336, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 80, 81,
&end
#
# 105 LEU MDY 105 LEU HB- 5.50 (# 337:20 Unique 2.23, 3.48 A)
&rst
ixpk= 337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1533,1534,1535,1537,1538,1539,
igr2=1528,1529,
&end
#
# 0 AMB 20-2:338 73 LEU HB- 5.50 (# 338:20 Single Ambig)
&rst
ixpk= 338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1572,1573,1067,1068,
igr2=1045,1046,
&end
#
# 25 LYS HD+ 25 LYS HE+ 4.50 (# 339:20 Unique 2.22, 2.70 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 348, 349,
igr2= 351, 352,
&end
#
# 25 LYS HD+ 25 LYS HE- 5.50 (# 340:20 Unique 2.22, 2.70 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 348, 349,
igr2= 351, 352,
&end
#
# 0 AMB 20-2:341 0 AMB 20-1:341 4.50 (# 341:20 Double Ambig)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91, 940, 941, 942, 944, 945, 946,
igr2= 80, 81, 80, 81,1528,1529,
&end
#
# 0 AMB 20-2:342 0 AMB 20-1:342 7.00 (# 342:20 Double Ambig)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1572,1573,1067,1068,
igr2=1045,1046,1045,1046,
&end
#
# 73 LEU MDY 73 LEU HB+ 5.50 (# 344:20 Unique 2.29, 3.27 A)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1045,1046,
&end
#
# 41 LEU MDX 41 LEU HB- 5.50 (# 346:20 Unique 1.99, 3.21 A)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 588, 589, 590, 592, 593, 594,
igr2= 583, 584,
&end
#
# 0 AMB 20-2:347 6 LEU HB- 4.50 (# 347:20 Single Ambig)
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:348 0 AMB 20-1:348 2.80 (# 348:20 Double Ambig)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2146,2147,2148,2150,2151,2152,1533,1534,1535,1537,
1538,1539,2144,
igr2=2141,2142,1528,1529,2141,2142,
&end
#
# 73 LEU MDY 73 LEU HB- 5.50 (# 351:20 Unique 2.29, 3.27 A)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1045,1046,
&end
#
# 105 LEU MDX 73 LEU HB- 5.50 (# 352:20 Unique 4.22, 6.13 A)
&rst
ixpk= 352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1533,1534,1535,1537,1538,1539,
igr2=1045,1046,
&end
#
# 73 LEU MDX 73 LEU HB- 5.50 (# 353:20 Unique 2.29, 3.27 A)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1045,1046,
&end
#
# 41 LEU HG 41 LEU HB+ 3.50 (# 357:20 Unique 2.73, 2.84 A)
&rst
ixpk= 357, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 583, 584,
&end
#
# 0 AMB 20-2:358 0 AMB 20-1:358 4.50 (# 358:20 Double Ambig)
&rst
ixpk= 358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 588, 589, 590, 592, 593, 594, 68, 69, 70,
igr2= 583, 584, 629, 630,
&end
#
# 0 AMB 20-2:359 0 AMB 20-1:359 5.50 (# 359:20 Double Ambig)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 66, 581,
igr2= 629, 630, 583, 584,
&end
#
# 0 AMB 20-2:362 0 AMB 20-1:362 2.80 (# 362:20 Double Ambig)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 166, 167, 168, 170, 171, 172, 569, 570, 571, 573,
574, 575, 569, 570, 571, 573, 574, 575,
igr2= 161, 162, 564, 565,
&end
#
# 41 LEU MDY 41 LEU HB- 5.50 (# 365:20 Unique 1.99, 3.21 A)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 588, 589, 590, 592, 593, 594,
igr2= 583, 584,
&end
#
# 0 AMB 20-2:366 88 ILE HB 3.50 (# 366:20 Single Ambig)
&rst
ixpk= 366, nxpk= 20, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 774, 775, 770, 771, 772,1284,1285,
&end
#
# 88 ILE MG2 88 ILE HB 5.50 (# 367:20 Unique 2.22, 2.63 A)
&rst
ixpk= 367, nxpk= 20, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1280,1281,1282,
&end
#
# 44 LEU MDY 44 LEU HB- 5.50 (# 368:20 Unique 2.37, 3.31 A)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 629, 630,
&end
#
# 0 AMB 20-2:370 0 AMB 20-1:370 5.50 (# 370:20 Double Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 478, 479,2053,
igr2= 617, 618, 351, 352,
&end
#
# 33 THR MG2 26 LEU HB+ 3.50 (# 371:20 Unique 2.10, 3.50 A)
&rst
ixpk= 371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 466, 467, 468,
igr2= 364, 365,
&end
#
# 26 LEU MDY 26 LEU HB+ 5.50 (# 372:20 Unique 2.10, 3.48 A)
&rst
ixpk= 372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 369, 370, 371, 373, 374, 375,
igr2= 364, 365,
&end
#
# 40 LEU MDX 40 LEU HB+ 3.50 (# 373:20 Unique 2.33, 3.28 A)
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 569, 570, 571, 573, 574, 575,
igr2= 564, 565,
&end
#
# 88 ILE MG2 88 ILE HB 4.50 (# 374:20 Unique 2.22, 2.63 A)
&rst
ixpk= 374, nxpk= 20, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1280,1281,1282,
&end
#
# 4 ILE MG2 4 ILE HB 2.80 (# 376:20 Unique 2.22, 2.63 A)
&rst
ixpk= 376, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 49, 50, 51,
&end
#
# 0 AMB 20-2:377 90 ILE HB 3.50 (# 377:20 Single Ambig)
&rst
ixpk= 377, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1306,1307,1308,1747,1748,1749,
&end
#
# 109 LEU HG 109 LEU HB+ 4.50 (# 378:20 Unique 2.34, 2.68 A)
&rst
ixpk= 378, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1587,1588,
&end
#
# 109 LEU MDY 109 LEU HB+ 4.50 (# 379:20 Unique 2.13, 3.31 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1592,1593,1594,1596,1597,1598,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:380 0 AMB 20-1:380 5.50 (# 380:20 Double Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1280,1281,1282,1762,
igr2=1759,1760,1759,1760,
&end
#
# 109 LEU MDY 109 LEU HB- 5.50 (# 383:20 Unique 2.13, 3.31 A)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1592,1593,1594,1596,1597,1598,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:384 109 LEU HB- 5.50 (# 384:20 Single Ambig)
&rst
ixpk= 384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1585,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:386 123 ILE HB 4.50 (# 386:20 Single Ambig)
&rst
ixpk= 386, nxpk= 20, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1802,1803,1804, 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 20-2:387 123 ILE HB 4.50 (# 387:20 Single Ambig)
&rst
ixpk= 387, nxpk= 20, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 242, 243, 244, 246, 247, 248,1809,1810,1811,
&end
#
# 0 AMB 20-2:388 53 ILE HB 3.50 (# 388:20 Single Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 777, 778, 779, 770, 771, 772, 774, 775,
&end
#
# 0 AMB 20-2:390 0 AMB 20-1:390 5.50 (# 390:20 Double Ambig)
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1545,1585,
igr2=1587,1588,1587,1588,
&end
#
# 0 AMB 20-2:391 109 LEU HB- 5.50 (# 391:20 Single Ambig)
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1585,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:393 0 AMB 20-1:393 4.50 (# 393:20 Double Ambig)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
igr1= 303, 304, 305, 307, 308, 309,1802,1803,1804, 369,
370, 371, 373, 374, 375, 369, 370, 371, 373, 374,
375, 85, 86, 87, 89, 90, 91,
igr2= 298, 299,1800,
&end
#
# 53 ILE HG1+ 53 ILE HB 4.50 (# 394:20 Unique 2.68, 2.83 A)
&rst
ixpk= 394, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 774, 775,
&end
#
# 0 AMB 20-2:396 0 AMB 20-1:396 7.00 (# 396:20 Double Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1201,1138,1139,
igr2=1161,1162,1161,1162,
&end
#
# 0 AMB 20-2:397 0 AMB 20-1:397 4.50 (# 397:20 Double Ambig)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr1= 242, 243, 244, 246, 247, 248, 774, 775, 777, 778,
779,
igr2= 298, 299, 298, 299, 298, 299,
&end
#
# 0 AMB 20-2:399 22 LEU HB- 5.50 (# 399:20 Single Ambig)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 303, 304, 305, 307, 308, 309, 369, 370, 371, 373,
374, 375, 369, 370, 371, 373, 374, 375, 85, 86,
87, 89, 90, 91,
igr2= 298, 299,
&end
#
# 0 AMB 20-2:400 22 LEU HB- 4.50 (# 400:20 Single Ambig)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 242, 243, 244, 246, 247, 248, 774, 775, 777, 778,
779,
igr2= 298, 299,
&end
#
# 0 AMB 20-2:401 0 AMB 20-1:401 4.50 (# 401:20 Double Ambig)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 296, 315,
igr2= 298, 299, 298, 299,
&end
#
# 80 LEU MDY 80 LEU HB- 4.50 (# 403:20 Unique 2.11, 3.47 A)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1166,1167,1168,1170,1171,1172,
igr2=1161,1162,
&end
#
# 0 AMB 20-2:404 0 AMB 20-1:404 4.50 (# 404:20 Double Ambig)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
igr2=1161,1162,1161,1162,
&end
#
# 0 AMB 20-2:405 0 AMB 20-1:405 4.50 (# 405:20 Double Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 303, 304, 305, 307, 308, 309,1166,1167,1168,1170,
1171,1172, 369, 370, 371, 373, 374, 375,
igr2= 298, 299,1161,1162, 298, 299,
&end
#
# 70 TYR HA 70 TYR HB- 4.50 (# 409:20 Unique 2.23, 2.56 A)
&rst
ixpk= 409, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 999,1000,
&end
#
# 0 AMB 20-2:411 49 ILE HB 3.50 (# 411:20 Single Ambig)
&rst
ixpk= 411, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 49, 50, 51, 692, 693, 694,
&end
#
# 0 AMB 20-2:412 49 ILE HB 4.50 (# 412:20 Single Ambig)
&rst
ixpk= 412, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 696, 697, 699, 700, 701,
&end
#
# 130 ILE MG2 130 ILE HB 3.50 (# 422:20 Unique 2.31, 2.63 A)
&rst
ixpk= 422, nxpk= 20, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1914,1915,1916,
&end
#
# 130 ILE HG1+ 130 ILE HB 7.00 (# 424:20 Unique 2.44, 2.62 A)
&rst
ixpk= 424, nxpk= 20, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1918,1919,
&end
#
# 20 GLU HA 20 GLU HG+ 4.50 (# 430:20 Unique 2.04, 2.74 A)
&rst
ixpk= 430, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 269, 270,
&end
#
# 20 GLU HB- 20 GLU HG+ 3.50 (# 431:20 Unique 2.21, 2.66 A)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 266, 267,
igr2= 269, 270,
&end
#
# 0 AMB 20-2:432 0 AMB 20-1:432 5.50 (# 432:20 Double Ambig)
&rst
ixpk= 432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 962, 963, 296, 315,
igr2=1023,1024, 330, 331,
&end
#
# 71 GLU HB+ 71 GLU HG+ 2.80 (# 433:20 Unique 2.21, 2.68 A)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1020,1021,
igr2=1023,1024,
&end
#
# 71 GLU HA 71 GLU HG- 4.50 (# 435:20 Unique 2.16, 2.83 A)
&rst
ixpk= 435, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1023,1024,
&end
#
# 71 GLU HA 71 GLU HG+ 7.00 (# 436:20 Unique 2.16, 2.83 A)
&rst
ixpk= 436, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1023,1024,
&end
#
# 0 AMB 20-2:441 0 AMB 20-1:441 3.50 (# 441:20 Double Ambig)
&rst
ixpk= 441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 383, 384, 383, 384, 383, 384,
igr2= 386, 387, 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:442 0 AMB 20-1:442 3.50 (# 442:20 Double Ambig)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 383, 384, 383, 384,
igr2= 386, 387, 386, 387,
&end
#
# 33 THR MG2 27 GLU HG+ 4.50 (# 443:20 Unique 1.98, 3.30 A)
&rst
ixpk= 443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 466, 467, 468,
igr2= 386, 387,
&end
#
# 0 AMB 20-2:444 0 AMB 20-1:444 4.50 (# 444:20 Double Ambig)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 340, 396,
igr2= 401, 402, 401, 402,
&end
#
# 0 AMB 20-2:447 0 AMB 20-1:447 2.80 (# 447:20 Double Ambig)
&rst
ixpk= 447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1730,1731,1081,1082,
igr2=1733,1734,1084,1085,
&end
#
# 0 AMB 20-2:448 0 AMB 20-1:448 3.50 (# 448:20 Double Ambig)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2009,1079,
igr2=2014,2015,1084,1085,
&end
#
# 0 AMB 20-2:449 0 AMB 20-1:449 4.50 (# 449:20 Double Ambig)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1745, 581,
igr2=1344,1345, 605, 606, 605, 606,
&end
#
# 73 LEU HB- 108 GLU HG- 7.00 (# 451:20 Unique 3.42, 4.57 A)
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1045,1046,
igr2=1575,1576,
&end
#
# 0 AMB 20-2:454 0 AMB 20-1:454 5.50 (# 454:20 Double Ambig)
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 564, 565, 586,
igr2= 605, 606, 605, 606, 605, 606,
&end
#
# 0 AMB 20-2:455 0 AMB 20-1:455 5.50 (# 455:20 Double Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1304,1035,1036,1037,
igr2=1550,1551,1084,1085,
&end
#
# 94 GLU HB+ 94 GLU HG+ 2.80 (# 456:20 Unique 2.21, 2.64 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1365,1366,
igr2=1368,1369,
&end
#
# 0 AMB 20-2:457 0 AMB 20-1:457 3.50 (# 457:20 Double Ambig)
&rst
ixpk= 457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1344,1345,1344,1345,
igr2=1368,1369,1368,1369,
&end
#
# 0 AMB 20-2:458 0 AMB 20-1:458 2.80 (# 458:20 Double Ambig)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1365,1366,1365,1366,
igr2=1368,1369,1368,1369,
&end
#
# 2 ALA MB 34 GLU HG- 5.50 (# 460:20 Unique 2.60, 4.16 A)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 25, 26, 27,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:461 0 AMB 20-1:461 4.50 (# 461:20 Double Ambig)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 588, 589, 590, 592, 593, 594, 512, 513, 514, 516,
517, 518,
igr2= 605, 606, 481, 482,
&end
#
# 2 ALA MB 34 GLU HG+ 4.50 (# 464:20 Unique 2.60, 4.16 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 25, 26, 27,
igr2= 481, 482,
&end
#
# 36 LEU MDY 34 GLU HG+ 4.50 (# 465:20 Unique 3.45, 5.63 A)
&rst
ixpk= 465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 481, 482,
&end
#
# 106 GLU HA 106 GLU HG+ 5.50 (# 466:20 Unique 2.07, 3.01 A)
&rst
ixpk= 466, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1550,1551,
&end
#
# 106 GLU HA 106 GLU HG- 4.50 (# 467:20 Unique 2.07, 3.01 A)
&rst
ixpk= 467, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1550,1551,
&end
#
# 122 LYS HG+ 122 LYS HB+ 4.50 (# 468:20 Unique 2.23, 2.69 A)
&rst
ixpk= 468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1781,1782,
igr2=1778,1779,
&end
#
# 72 ALA HA 76 GLN HG+ 5.50 (# 470:20 Unique 4.55, 5.18 A)
&rst
ixpk= 470, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1099,1100,
&end
#
# 76 GLN HB+ 76 GLN HG+ 3.50 (# 471:20 Unique 2.21, 2.68 A)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1096,1097,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:472 0 AMB 20-1:472 3.50 (# 472:20 Double Ambig)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1096,1097,1135,1136,
igr2=1099,1100,1099,1100,
&end
#
# 72 ALA HA 76 GLN HG- 7.00 (# 473:20 Unique 4.55, 5.18 A)
&rst
ixpk= 473, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:474 76 GLN HG- 5.50 (# 474:20 Single Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1138,1139, 605, 606, 605, 606,1084,1085,
igr2=1099,1100,
&end
#
# 76 GLN HB+ 76 GLN HG- 3.50 (# 475:20 Unique 2.21, 2.68 A)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1096,1097,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:476 0 AMB 20-1:476 5.50 (# 476:20 Double Ambig)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1=1138,1139, 605, 606, 605, 606,1084,1085,
igr2=1099,1100,1099,1100,1099,1100,1099,1100,
&end
#
# 0 AMB 20-2:477 76 GLN HG- 3.50 (# 477:20 Single Ambig)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1096,1097,1135,1136,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:479 74 GLN HG- 4.50 (# 479:20 Single Ambig)
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1062,1018,
igr2=1067,1068,
&end
#
# 0 AMB 20-2:480 0 AMB 20-1:480 4.50 (# 480:20 Double Ambig)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1062,1018,
igr2=1067,1068,1067,1068,
&end
#
# 147 LYS HA 147 LYS HB- 5.50 (# 483:20 Unique 2.78, 2.85 A)
&rst
ixpk= 483, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2179,2180,
&end
#
# 146 LEU HB- 147 LYS HB- 7.00 (# 485:20 Unique 5.63, 6.42 A)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2160,2161,
igr2=2179,2180,
&end
#
# 147 LYS HG+ 147 LYS HB- 5.50 (# 486:20 Unique 2.24, 2.71 A)
&rst
ixpk= 486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2182,2183,
igr2=2179,2180,
&end
#
# 34 GLU HG+ 34 GLU HB- 3.50 (# 488:20 Unique 2.21, 2.69 A)
&rst
ixpk= 488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 481, 482,
igr2= 478, 479,
&end
#
# 36 LEU MDY 34 GLU HB- 7.00 (# 489:20 Unique 2.27, 4.34 A)
&rst
ixpk= 489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 478, 479,
&end
#
# 2 ALA MB 34 GLU HB- 4.50 (# 490:20 Unique 2.06, 3.85 A)
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 25, 26, 27,
igr2= 478, 479,
&end
#
# 34 GLU HG+ 34 GLU HB+ 3.50 (# 491:20 Unique 2.21, 2.69 A)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 481, 482,
igr2= 478, 479,
&end
#
# 2 ALA MB 34 GLU HB+ 4.50 (# 492:20 Unique 2.06, 3.85 A)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 25, 26, 27,
igr2= 478, 479,
&end
#
# 116 GLN HB- 116 GLN HG+ 5.50 (# 495:20 Unique 2.29, 2.72 A)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1692,1693,
igr2=1695,1696,
&end
#
# 0 AMB 20-2:496 52 VAL HB 4.50 (# 496:20 Single Ambig)
&rst
ixpk= 496, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 754, 755, 756, 758, 759, 760, 105, 106,
&end
#
# 52 VAL MGY 52 VAL HB 3.50 (# 497:20 Unique 2.28, 2.63 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:498 52 VAL HB 4.50 (# 498:20 Single Ambig)
&rst
ixpk= 498, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 754, 755, 756, 758, 759, 760, 105, 106,
&end
#
# 104 LYS HA 104 LYS HB+ 7.00 (# 499:20 Unique 2.46, 2.77 A)
&rst
ixpk= 499, nxpk= 20, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1506,1507,
&end
#
# 0 AMB 20-2:500 116 GLN HG- 5.50 (# 500:20 Single Ambig)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1690,1259,1260,
igr2=1695,1696,
&end
#
# 116 GLN HB+ 116 GLN HG- 5.50 (# 502:20 Unique 2.29, 2.72 A)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1692,1693,
igr2=1695,1696,
&end
#
# 0 AMB 20-2:503 0 AMB 20-1:503 7.00 (# 503:20 Double Ambig)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1164,1918,1919,
igr2=1138,1139,1934,1935,
&end
#
# 104 LYS HG- 104 LYS HB+ 4.50 (# 504:20 Unique 2.21, 2.70 A)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1509,1510,
igr2=1506,1507,
&end
#
# 78 PRO HG+ 78 PRO HB- 2.80 (# 505:20 Unique 2.32, 2.58 A)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1135,1136,
igr2=1138,1139,
&end
#
# 0 AMB 20-2:506 0 AMB 20-1:506 4.50 (# 506:20 Double Ambig)
&rst
ixpk= 506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
igr2=1138,1139,1138,1139,
&end
#
# 0 AMB 20-2:508 78 PRO HB- 4.50 (# 508:20 Single Ambig)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
igr2=1138,1139,
&end
#
# 0 AMB 20-2:510 0 AMB 20-1:510 4.50 (# 510:20 Double Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1609,1610,1609,1610,
igr2=1606,1607,1606,1607,
&end
#
# 0 AMB 20-2:511 0 AMB 20-1:511 4.50 (# 511:20 Double Ambig)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1365,1366,1692,1693,1692,1693,1670,1671,1670,1671,
igr2=1730,1731,1606,1607,1606,1607,1606,1607,
&end
#
# 122 LYS HG+ 131 PRO HB+ 5.50 (# 513:20 Unique 1.96, 3.63 A)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1781,1782,
igr2=1934,1935,
&end
#
# 83 VAL MGX 83 VAL HB 4.50 (# 514:20 Unique 2.22, 2.63 A)
&rst
ixpk= 514, nxpk= 20, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 119 GLU HG+ 119 GLU HB+ 2.80 (# 516:20 Unique 2.23, 2.63 A)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1733,1734,
igr2=1730,1731,
&end
#
# 119 GLU HG+ 119 GLU HB- 3.50 (# 519:20 Unique 2.23, 2.63 A)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1733,1734,
igr2=1730,1731,
&end
#
# 83 VAL MGY 83 VAL HB 4.50 (# 521:20 Unique 2.22, 2.63 A)
&rst
ixpk= 521, nxpk= 20, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 114 ALA MB 83 VAL HB 5.50 (# 524:20 Unique 5.27, 6.29 A)
&rst
ixpk= 524, nxpk= 20, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1660,1661,1662,
&end
#
# 143 VAL HA 143 VAL HB 4.50 (# 527:20 Unique 2.99, 3.00 A)
&rst
ixpk= 527, nxpk= 20, iat=2109,2111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:528 143 VAL HB 3.50 (# 528:20 Single Ambig)
&rst
ixpk= 528, nxpk= 20, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 0 AMB 20-2:530 143 VAL HB 4.50 (# 530:20 Single Ambig)
&rst
ixpk= 530, nxpk= 20, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 413, 414, 415,2179,2180,
&end
#
# 0 AMB 20-2:533 0 AMB 20-1:533 5.50 (# 533:20 Double Ambig)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 238, 962, 963,
igr2= 240, 968, 969,
&end
#
# 0 AMB 20-2:534 18 VAL HB 3.50 (# 534:20 Single Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 242, 243, 244, 246, 247, 248,1809,1810,1811,
&end
#
# 0 AMB 20-2:537 6 LEU HG 3.50 (# 537:20 Single Ambig)
&rst
ixpk= 537, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
&end
#
# 75 GLU HA 75 GLU HB- 3.50 (# 538:20 Unique 2.43, 2.74 A)
&rst
ixpk= 538, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1081,1082,
&end
#
# 75 GLU HG+ 75 GLU HB- 2.80 (# 539:20 Unique 2.29, 2.72 A)
&rst
ixpk= 539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1084,1085,
igr2=1081,1082,
&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= 340,1079,
igr2= 342, 343,1081,1082,
&end
#
# 75 GLU HG+ 75 GLU HB+ 3.50 (# 541:20 Unique 2.29, 2.72 A)
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1084,1085,
igr2=1081,1082,
&end
#
# 0 AMB 20-2:542 0 AMB 20-1:542 3.50 (# 542:20 Double Ambig)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 166, 167, 168, 170, 171, 172, 242, 243, 244, 246,
247, 248, 369, 370, 371, 373, 374, 375,
igr2= 968, 969, 240, 342, 343,
&end
#
# 0 AMB 20-2:545 6 LEU HG 4.50 (# 545:20 Single Ambig)
&rst
ixpk= 545, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 298, 299, 733, 734,
&end
#
# 12 LEU MDX 68 PRO HB+ 4.50 (# 548:20 Unique 2.15, 4.64 A)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 166, 167, 168, 170, 171, 172,
igr2= 968, 969,
&end
#
# 138 TRP HA 138 TRP HB+ 4.50 (# 549:20 Unique 2.62, 2.84 A)
&rst
ixpk= 549, nxpk= 20, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2026,2027,
&end
#
# 121 LEU HG 138 TRP HB+ 5.50 (# 550:20 Unique 2.11, 2.63 A)
&rst
ixpk= 550, nxpk= 20, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2026,2027,
&end
#
# 121 LEU HG 138 TRP HB+ 5.50 (# 551:20 Unique 2.11, 2.63 A)
&rst
ixpk= 551, nxpk= 20, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2026,2027,
&end
#
# 77 LYS HG+ 77 LYS HB+ 2.80 (# 552:20 Unique 2.22, 2.70 A)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1116,1117,
igr2=1113,1114,
&end
#
# 94 GLU HA 94 GLU HB+ 4.50 (# 553:20 Unique 2.24, 2.76 A)
&rst
ixpk= 553, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1365,1366,
&end
#
# 0 AMB 20-2:554 0 AMB 20-1:554 2.80 (# 554:20 Double Ambig)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1368,1369,1368,1369,
igr2=1365,1366,1365,1366,
&end
#
# 106 GLU HA 106 GLU HB+ 4.50 (# 559:20 Unique 2.42, 2.77 A)
&rst
ixpk= 559, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1547,1548,
&end
#
# 74 GLN HA 74 GLN HB- 3.50 (# 560:20 Unique 2.33, 2.67 A)
&rst
ixpk= 560, nxpk= 20, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1064,1065,
&end
#
# 0 AMB 20-2:564 0 AMB 20-1:564 2.80 (# 564:20 Double Ambig)
&rst
ixpk= 564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1999,2000,1550,1551,
igr2=1996,1997,1547,1548,
&end
#
# 0 AMB 20-2:566 0 AMB 20-1:566 4.50 (# 566:20 Double Ambig)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1062,1330,1331,
igr2=1064,1065,1341,1342,
&end
#
# 0 AMB 20-2:567 0 AMB 20-1:567 5.50 (# 567:20 Double Ambig)
&rst
ixpk= 567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1615,1616,1615,1616,
igr2=1612,1613,1612,1613,
&end
#
# 0 AMB 20-2:570 28 GLU HB- 3.50 (# 570:20 Single Ambig)
&rst
ixpk= 570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 340, 396,
igr2= 398, 399,
&end
#
# 0 AMB 20-2:571 0 AMB 20-1:571 3.50 (# 571:20 Double Ambig)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1547,1548,1547,1548,
igr2=1612,1613,1612,1613,
&end
#
# 106 GLU HB+ 110 LYS HD+ 4.50 (# 572:20 Unique 2.03, 3.75 A)
&rst
ixpk= 572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1547,1548,
igr2=1612,1613,
&end
#
# 24 GLU HG+ 24 GLU HB+ 4.50 (# 574:20 Unique 2.22, 2.72 A)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 330, 331,
igr2= 327, 328,
&end
#
# 24 GLU HA 24 GLU HB+ 4.50 (# 575:20 Unique 2.40, 2.74 A)
&rst
ixpk= 575, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 327, 328,
&end
#
# 71 GLU HG- 71 GLU HB+ 2.80 (# 576:20 Unique 2.21, 2.68 A)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1023,1024,
igr2=1020,1021,
&end
#
# 147 LYS HE+ 147 LYS HD+ 5.50 (# 577:20 Unique 2.33, 2.57 A)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2188,2189,
igr2=2185,2186,
&end
#
# 71 GLU HA 71 GLU HB+ 3.50 (# 578:20 Unique 2.61, 2.81 A)
&rst
ixpk= 578, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1020,1021,
&end
#
# 71 GLU HG+ 71 GLU HB+ 3.50 (# 579:20 Unique 2.21, 2.68 A)
&rst
ixpk= 579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1023,1024,
igr2=1020,1021,
&end
#
# 147 LYS HB- 147 LYS HD+ 3.50 (# 580:20 Unique 1.99, 2.88 A)
&rst
ixpk= 580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2179,2180,
igr2=2185,2186,
&end
#
# 24 GLU HA 24 GLU HB+ 4.50 (# 584:20 Unique 2.40, 2.74 A)
&rst
ixpk= 584, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 327, 328,
&end
#
# 0 AMB 20-2:585 0 AMB 20-1:585 4.50 (# 585:20 Double Ambig)
&rst
ixpk= 585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1116,1117, 256, 257, 258,
igr2=1119,1120, 204, 205,
&end
#
# 108 GLU HG- 77 LYS HD- 4.50 (# 586:20 Unique 4.53, 5.97 A)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1575,1576,
igr2=1119,1120,
&end
#
# 0 AMB 20-2:587 0 AMB 20-1:587 5.50 (# 587:20 Double Ambig)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1679,1680,1122,1123,
igr2=1676,1677,1119,1120,
&end
#
# 77 LYS HG- 77 LYS HD- 4.50 (# 588:20 Unique 2.23, 2.66 A)
&rst
ixpk= 588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1116,1117,
igr2=1119,1120,
&end
#
# 20 GLU HA 20 GLU HB- 4.50 (# 589:20 Unique 2.55, 2.82 A)
&rst
ixpk= 589, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 266, 267,
&end
#
# 20 GLU HA 0 AMB 20-1:590 4.50 (# 590:20 Single Ambig)
&rst
ixpk= 590, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 266, 267, 266, 267,
&end
#
# 0 AMB 20-2:591 0 AMB 20-1:591 3.50 (# 591:20 Double Ambig)
&rst
ixpk= 591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1099,1100,1099,1100,
igr2=1096,1097,1096,1097,
&end
#
# 0 AMB 20-2:592 76 GLN HB- 3.50 (# 592:20 Single Ambig)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1099,1100,1099,1100,
igr2=1096,1097,
&end
#
# 77 LYS HE+ 77 LYS HD+ 3.50 (# 594:20 Unique 2.29, 2.72 A)
&rst
ixpk= 594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1122,1123,
igr2=1119,1120,
&end
#
# 23 ALA HA 6 LEU MDX 5.50 (# 595:20 Unique 3.05, 4.51 A)
&rst
ixpk= 595, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HB+ 6 LEU MDX 4.50 (# 596:20 Unique 2.24, 3.48 A)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 80, 81,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HG 6 LEU MDX 3.50 (# 597:20 Unique 2.21, 2.63 A)
&rst
ixpk= 597, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HB- 6 LEU MDX 3.50 (# 598:20 Unique 2.24, 3.48 A)
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 80, 81,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:599 6 LEU MDX 4.50 (# 599:20 Single Ambig)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 733, 734, 298, 299,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 53 ILE MD1 6 LEU MDX 3.50 (# 600:20 Unique 2.02, 4.64 A)
&rst
ixpk= 600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 777, 778, 779,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:601 0 AMB 20-1:601 2.80 (# 601:20 Double Ambig)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 605, 606, 605, 606,
igr2= 602, 603, 602, 603,
&end
#
# 19 ALA HA 6 LEU MDX 5.50 (# 602:20 Unique 3.52, 5.99 A)
&rst
ixpk= 602, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:603 0 AMB 20-1:603 5.50 (# 603:20 Double Ambig)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1132,1133, 962, 963,
igr2=1096,1097, 965, 966,
&end
#
# 24 GLU HA 0 AMB 20-1:604 4.50 (# 604:20 Single Ambig)
&rst
ixpk= 604, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 383, 384, 383, 384,
&end
#
# 0 AMB 20-2:605 0 AMB 20-1:605 3.50 (# 605:20 Double Ambig)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 386, 387, 386, 387, 386, 387,
igr2= 383, 384, 383, 384, 383, 384,
&end
#
# 90 ILE MD1 90 ILE HG1+ 3.50 (# 612:20 Unique 2.24, 2.62 A)
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1313,1314,1315,
igr2=1310,1311,
&end
#
# 139 LEU HA 142 TRP HB+ 7.00 (# 613:20 Unique 2.83, 3.61 A)
&rst
ixpk= 613, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2087,2088,
&end
#
# 90 ILE HB 90 ILE HG1- 4.50 (# 617:20 Unique 2.35, 2.71 A)
&rst
ixpk= 617, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1310,1311,
&end
#
# 142 TRP HA 142 TRP HB+ 5.50 (# 618:20 Unique 2.31, 2.69 A)
&rst
ixpk= 618, nxpk= 20, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2087,2088,
&end
#
# 45 PRO HD+ 45 PRO HG+ 4.50 (# 619:20 Unique 2.30, 2.58 A)
&rst
ixpk= 619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 645, 646,
igr2= 648, 649,
&end
#
# 0 AMB 20-2:620 0 AMB 20-1:620 4.50 (# 620:20 Double Ambig)
&rst
ixpk= 620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1695,1696, 690,
igr2=1692,1693, 696, 697,
&end
#
# 139 LEU HA 142 TRP HB- 5.50 (# 621:20 Unique 2.83, 3.61 A)
&rst
ixpk= 621, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2087,2088,
&end
#
# 51 LEU HG 4 ILE HG1- 4.50 (# 622:20 Unique 4.53, 5.14 A)
&rst
ixpk= 622, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 53, 54,
&end
#
# 4 ILE MD1 4 ILE HG1- 4.50 (# 623:20 Unique 2.35, 2.62 A)
&rst
ixpk= 623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 56, 57, 58,
igr2= 53, 54,
&end
#
# 45 PRO HD+ 45 PRO HG- 4.50 (# 624:20 Unique 2.30, 2.58 A)
&rst
ixpk= 624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 645, 646,
igr2= 648, 649,
&end
#
# 45 PRO HD- 45 PRO HG- 5.50 (# 625:20 Unique 2.30, 2.58 A)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 645, 646,
igr2= 648, 649,
&end
#
# 45 PRO HD- 45 PRO HG+ 4.50 (# 627:20 Unique 2.30, 2.58 A)
&rst
ixpk= 627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 645, 646,
igr2= 648, 649,
&end
#
# 4 ILE MD1 4 ILE HG1+ 7.00 (# 630:20 Unique 2.35, 2.62 A)
&rst
ixpk= 630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 56, 57, 58,
igr2= 53, 54,
&end
#
# 7 ILE MD1 7 ILE HG1+ 4.50 (# 631:20 Unique 2.23, 2.62 A)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 108, 109, 110,
igr2= 105, 106,
&end
#
# 7 ILE MD1 7 ILE HG1- 3.50 (# 636:20 Unique 2.23, 2.62 A)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 108, 109, 110,
igr2= 105, 106,
&end
#
# 53 ILE HB 53 ILE HG1+ 4.50 (# 639:20 Unique 2.68, 2.83 A)
&rst
ixpk= 639, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 774, 775,
&end
#
# 7 ILE MD1 7 ILE HG1- 5.50 (# 642:20 Unique 2.23, 2.62 A)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 108, 109, 110,
igr2= 105, 106,
&end
#
# 7 ILE HB 7 ILE HG1- 5.50 (# 643:20 Unique 2.46, 2.75 A)
&rst
ixpk= 643, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:646 0 AMB 20-1:646 4.50 (# 646:20 Double Ambig)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1533,1534,1535,1537,1538,1539, 53, 54,
igr2=1531, 696, 697,
&end
#
# 41 LEU MDY 41 LEU HG 4.50 (# 647:20 Unique 2.22, 2.63 A)
&rst
ixpk= 647, nxpk= 20, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:648 36 LEU HG 4.50 (# 648:20 Single Ambig)
&rst
ixpk= 648, nxpk= 20, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 80, 81, 478, 479,
&end
#
# 36 LEU HB- 36 LEU HG 4.50 (# 649:20 Unique 2.63, 2.81 A)
&rst
ixpk= 649, nxpk= 20, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 507, 508,
&end
#
# 51 LEU MDX 51 LEU HG 4.50 (# 650:20 Unique 2.22, 2.63 A)
&rst
ixpk= 650, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 78 PRO HB- 78 PRO HG+ 3.50 (# 656:20 Unique 2.32, 2.58 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1138,1139,
igr2=1135,1136,
&end
#
# 80 LEU HG 78 PRO HG+ 4.50 (# 657:20 Unique 3.78, 4.66 A)
&rst
ixpk= 657, nxpk= 20, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1135,1136,
&end
#
# 0 AMB 20-2:658 0 AMB 20-1:658 4.50 (# 658:20 Double Ambig)
&rst
ixpk= 658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1132,1133,1642,1643,
igr2=1135,1136,1135,1136,
&end
#
# 0 AMB 20-2:659 0 AMB 20-1:659 3.50 (# 659:20 Double Ambig)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 364, 365,1138,1139,
igr2= 367,1135,1136,
&end
#
# 0 AMB 20-2:660 0 AMB 20-1:660 3.50 (# 660:20 Double Ambig)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 692, 693, 694, 940, 941, 942, 944, 945, 946,
igr2=1220,1221,1531,
&end
#
# 0 AMB 20-2:661 0 AMB 20-1:661 3.50 (# 661:20 Double Ambig)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 699, 700, 701, 588, 589, 590, 592, 593, 594,
igr2=1220,1221, 586,
&end
#
# 0 AMB 20-2:662 0 AMB 20-1:662 2.80 (# 662:20 Double Ambig)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 345, 346, 583, 584,
igr2= 348, 349, 586,
&end
#
# 25 LYS HA 25 LYS HD+ 4.50 (# 663:20 Unique 2.21, 2.99 A)
&rst
ixpk= 663, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 348, 349,
&end
#
# 0 AMB 20-2:664 0 AMB 20-1:664 5.50 (# 664:20 Double Ambig)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1223,1224, 351, 352,
igr2=1220,1221, 348, 349,
&end
#
# 25 LYS HG- 25 LYS HD+ 4.50 (# 665:20 Unique 2.41, 2.58 A)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 345, 346,
igr2= 348, 349,
&end
#
# 88 ILE MD1 53 ILE HG1+ 4.50 (# 667:20 Unique 2.05, 3.28 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1287,1288,1289,
igr2= 774, 775,
&end
#
# 36 LEU HB- 36 LEU HG 4.50 (# 668:20 Unique 2.63, 2.81 A)
&rst
ixpk= 668, nxpk= 20, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 507, 508,
&end
#
# 0 AMB 20-2:669 0 AMB 20-1:669 3.50 (# 669:20 Double Ambig)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 303, 304, 305, 307, 308, 309, 512, 513, 514, 516,
517, 518,
igr2= 774, 775, 510,
&end
#
# 18 VAL MGX 123 ILE HG1+ 3.50 (# 671:20 Unique 2.18, 4.69 A)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 242, 243, 244, 246, 247, 248,
igr2=1806,1807,
&end
#
# 0 AMB 20-2:673 51 LEU HG 5.50 (# 673:20 Single Ambig)
&rst
ixpk= 673, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1284,1285, 777, 778, 779, 774, 775,
&end
#
# 26 LEU MDY 26 LEU HG 3.50 (# 674:20 Unique 2.22, 2.63 A)
&rst
ixpk= 674, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:675 26 LEU HG 7.00 (# 675:20 Single Ambig)
&rst
ixpk= 675, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1=1284,1285, 777, 778, 779, 774, 775,
&end
#
# 0 AMB 20-2:676 0 AMB 20-1:676 3.50 (# 676:20 Double Ambig)
&rst
ixpk= 676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1606,1607,1528,1529,
igr2=1609,1610,1531,
&end
#
# 110 LYS HD+ 110 LYS HG+ 3.50 (# 677:20 Unique 2.24, 2.66 A)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1612,1613,
igr2=1609,1610,
&end
#
# 49 ILE MG2 0 AMB 20-1:678 3.50 (# 678:20 Single Ambig)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 692, 693, 694,
igr2=1220,1221,1220,1221,
&end
#
# 18 VAL MGX 123 ILE HG1- 3.50 (# 679:20 Unique 2.18, 4.69 A)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 242, 243, 244, 246, 247, 248,
igr2=1806,1807,
&end
#
# 40 LEU HB- 40 LEU HG 3.50 (# 682:20 Unique 2.44, 2.73 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 564, 565,
&end
#
# 40 LEU MDX 40 LEU HG 3.50 (# 683:20 Unique 2.22, 2.63 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 569, 570, 571, 573, 574, 575,
&end
#
# 40 LEU HB+ 40 LEU HG 4.50 (# 684:20 Unique 2.44, 2.73 A)
&rst
ixpk= 684, nxpk= 20, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 565,
&end
#
# 0 AMB 20-2:685 12 LEU HG 3.50 (# 685:20 Single Ambig)
&rst
ixpk= 685, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 166, 167, 168, 170, 171, 172, 166, 167, 168, 170,
171, 172,
&end
#
# 0 AMB 20-2:687 123 ILE HG1- 3.50 (# 687:20 Single Ambig)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 242, 243, 244, 246, 247, 248,1809,1810,1811,
igr2=1806,1807,
&end
#
# 0 AMB 20-2:692 0 AMB 20-1:692 3.50 (# 692:20 Double Ambig)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1914,1915,1916,1921,1922,1923,
igr2=1918,1919,1918,1919,
&end
#
# 0 AMB 20-2:693 121 LEU MDY 5.50 (# 693:20 Single Ambig)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1280,1281,1282,1762,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 18 VAL MGY 22 LEU HG 4.50 (# 698:20 Unique 2.04, 4.04 A)
&rst
ixpk= 698, nxpk= 20, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 109 LEU MDX 109 LEU HG 4.50 (# 699:20 Unique 2.22, 2.63 A)
&rst
ixpk= 699, nxpk= 20, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:700 0 AMB 20-1:700 3.50 (# 700:20 Double Ambig)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1533,1534,1535,1537,1538,1539,1921,1922,1923,
igr2=1590,1918,1919,
&end
#
# 105 LEU HB+ 105 LEU MDX 5.50 (# 702:20 Unique 2.23, 3.48 A)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1528,1529,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:704 139 LEU HG 4.50 (# 704:20 Single Ambig)
&rst
ixpk= 704, nxpk= 20, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2055,2056,2057,2059,2060,2061,2113,2114,2115,2117,
2118,2119,
&end
#
# 0 AMB 20-2:705 139 LEU MDY 3.50 (# 705:20 Single Ambig)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 342, 343,2050,2051,2053,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 109 LEU HG 105 LEU MDX 7.00 (# 707:20 Unique 2.00, 3.74 A)
&rst
ixpk= 707, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 109 LEU MDY 109 LEU HG 5.50 (# 709:20 Unique 2.22, 2.63 A)
&rst
ixpk= 709, nxpk= 20, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 44 LEU MDY 44 LEU HG 4.50 (# 710:20 Unique 2.30, 2.63 A)
&rst
ixpk= 710, nxpk= 20, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 139 LEU HA 139 LEU MDY 5.50 (# 711:20 Unique 2.14, 3.56 A)
&rst
ixpk= 711, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 0 AMB 20-2:712 0 AMB 20-1:712 5.50 (# 712:20 Double Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 345, 346,1278,
igr2=2055,2056,2057,2059,2060,2061,1764,1765,1766,1768,
1769,1770,
&end
#
# 43 ASP HB+ 36 LEU MDX 7.00 (# 713:20 Unique 1.98, 3.66 A)
&rst
ixpk= 713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 617, 618,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 20-2:714 44 LEU MDY 4.50 (# 714:20 Single Ambig)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 66, 681, 682,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HG 44 LEU MDY 3.50 (# 715:20 Unique 2.30, 2.63 A)
&rst
ixpk= 715, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HB- 44 LEU MDY 4.50 (# 716:20 Unique 2.37, 3.31 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 629, 630,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 104 LYS HB+ 104 LYS HG+ 5.50 (# 718:20 Unique 2.21, 2.70 A)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1506,1507,
igr2=1509,1510,
&end
#
# 0 AMB 20-2:720 0 AMB 20-1:720 4.50 (# 720:20 Double Ambig)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1506,1507, 629, 630,
igr2=1509,1510, 632,
&end
#
# 0 AMB 20-2:721 0 AMB 20-1:721 4.50 (# 721:20 Double Ambig)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 367,1528,1529, 342, 343,
igr2= 369, 370, 371, 373, 374, 375,1533,1534,1535,1537,
1538,1539,
&end
#
# 34 GLU HB+ 36 LEU MDX 5.50 (# 723:20 Unique 2.27, 4.34 A)
&rst
ixpk= 723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 478, 479,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 36 LEU HB+ 36 LEU MDX 4.50 (# 724:20 Unique 2.03, 3.22 A)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 507, 508,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 36 LEU HB- 36 LEU MDX 5.50 (# 725:20 Unique 2.03, 3.22 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 507, 508,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 7 ILE MG2 36 LEU MDX 4.50 (# 727:20 Unique 3.92, 7.43 A)
&rst
ixpk= 727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 101, 102, 103,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 44 LEU HB+ 44 LEU MDY 5.50 (# 728:20 Unique 2.37, 3.31 A)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 629, 630,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 104 LYS HB+ 104 LYS HG+ 5.50 (# 730:20 Unique 2.21, 2.70 A)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1506,1507,
igr2=1509,1510,
&end
#
# 0 AMB 20-2:733 0 AMB 20-1:733 3.50 (# 733:20 Double Ambig)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1528,1529,2141,2142,
igr2=1533,1534,1535,1537,1538,1539,2144,
&end
#
# 73 LEU MDY 73 LEU HG 4.50 (# 736:20 Unique 2.34, 2.63 A)
&rst
ixpk= 736, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:737 0 AMB 20-1:737 4.50 (# 737:20 Double Ambig)
&rst
ixpk= 737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 629, 630,1045,1046,
igr2= 632,1048,
&end
#
# 0 AMB 20-2:738 0 AMB 20-1:738 4.50 (# 738:20 Double Ambig)
&rst
ixpk= 738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1526, 296,
igr2=1533,1534,1535,1537,1538,1539, 369, 370, 371, 373,
374, 375,
&end
#
# 26 LEU HB+ 26 LEU MDY 4.50 (# 739:20 Unique 2.10, 3.48 A)
&rst
ixpk= 739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 364, 365,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:740 26 LEU MDY 4.50 (# 740:20 Single Ambig)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2053, 367,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 51 LEU MDX 26 LEU MDY 4.50 (# 741:20 Unique 1.99, 5.27 A)
&rst
ixpk= 741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 51 LEU MDY 26 LEU MDY 4.50 (# 742:20 Unique 1.99, 5.27 A)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 105 LEU HG 105 LEU MDX 3.50 (# 743:20 Unique 2.22, 2.63 A)
&rst
ixpk= 743, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:744 105 LEU MDX 4.50 (# 744:20 Single Ambig)
&rst
ixpk= 744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 997,1545,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:745 41 LEU MDX 5.50 (# 745:20 Single Ambig)
&rst
ixpk= 745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 965, 966,1135,1136,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 41 LEU HB+ 41 LEU MDX 4.50 (# 746:20 Unique 1.99, 3.21 A)
&rst
ixpk= 746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 583, 584,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 72 ALA MB 41 LEU MDX 2.80 (# 747:20 Unique 2.00, 4.09 A)
&rst
ixpk= 747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1035,1036,1037,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 70 TYR HA 73 LEU MDY 5.50 (# 749:20 Unique 1.99, 4.25 A)
&rst
ixpk= 749, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HB+ 73 LEU MDY 5.50 (# 750:20 Unique 2.29, 3.27 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1045,1046,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HG 73 LEU MDY 4.50 (# 751:20 Unique 2.34, 2.63 A)
&rst
ixpk= 751, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:754 0 AMB 20-1:754 3.50 (# 754:20 Double Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1528,1529, 298, 299,
igr2=1533,1534,1535,1537,1538,1539, 369, 370, 371, 373,
374, 375,
&end
#
# 142 TRP HA 145 LEU HG 5.50 (# 755:20 Unique 4.79, 4.89 A)
&rst
ixpk= 755, nxpk= 20, iat=2085,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 LEU HB- 73 LEU MDY 7.00 (# 756:20 Unique 2.29, 3.27 A)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1045,1046,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:757 73 LEU MDY 5.50 (# 757:20 Single Ambig)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1592,1593,1594,1596,1597,1598, 588, 589, 590, 592,
593, 594,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:758 121 LEU HG 7.00 (# 758:20 Single Ambig)
&rst
ixpk= 758, nxpk= 20, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1268,1269,1270, 774, 775,
&end
#
# 121 LEU MDY 121 LEU HG 4.50 (# 759:20 Unique 2.22, 2.63 A)
&rst
ixpk= 759, nxpk= 20, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 138 TRP HB+ 121 LEU HG 4.50 (# 761:20 Unique 2.11, 2.63 A)
&rst
ixpk= 761, nxpk= 20, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2026,2027,
&end
#
# 121 LEU MDX 121 LEU HG 3.50 (# 762:20 Unique 2.22, 2.63 A)
&rst
ixpk= 762, nxpk= 20, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 88 ILE HG1- 121 LEU HG 5.50 (# 763:20 Unique 4.48, 5.80 A)
&rst
ixpk= 763, nxpk= 20, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1284,1285,
&end
#
# 121 LEU HB- 121 LEU HG 4.50 (# 764:20 Unique 2.59, 2.81 A)
&rst
ixpk= 764, nxpk= 20, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1759,1760,
&end
#
# 0 AMB 20-2:767 0 AMB 20-1:767 3.50 (# 767:20 Double Ambig)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 464, 541, 542,
igr2= 85, 86, 87, 89, 90, 91, 166, 167, 168, 170,
171, 172,
&end
#
# 6 LEU HB+ 6 LEU MDY 3.50 (# 768:20 Unique 2.24, 3.48 A)
&rst
ixpk= 768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 80, 81,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 40 LEU HB- 40 LEU MDX 2.80 (# 769:20 Unique 2.33, 3.28 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 564, 565,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 6 LEU HG 6 LEU MDY 2.80 (# 770:20 Unique 2.21, 2.63 A)
&rst
ixpk= 770, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:771 6 LEU MDY 3.50 (# 771:20 Single Ambig)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 733, 734, 298, 299,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:772 0 AMB 20-1:772 5.50 (# 772:20 Double Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 364, 365, 605, 606, 605, 606,
igr2= 85, 86, 87, 89, 90, 91, 569, 570, 571, 573,
574, 575,
&end
#
# 0 AMB 20-2:773 0 AMB 20-1:773 3.50 (# 773:20 Double Ambig)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 733, 734, 567,
igr2= 85, 86, 87, 89, 90, 91, 569, 570, 571, 573,
574, 575,
&end
#
# 139 LEU HA 139 LEU MDX 4.50 (# 777:20 Unique 2.14, 3.56 A)
&rst
ixpk= 777, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 0 AMB 20-2:778 139 LEU MDX 3.50 (# 778:20 Single Ambig)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 342, 343,2050,2051,2053,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 0 AMB 20-2:779 139 LEU MDX 3.50 (# 779:20 Single Ambig)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1764,1765,1766,1768,1769,1770, 369, 370, 371, 373,
374, 375,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 88 ILE HG1- 139 LEU MDX 5.50 (# 780:20 Unique 5.01, 7.79 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1284,1285,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 88 ILE MD1 88 ILE HG1- 7.00 (# 781:20 Unique 2.20, 2.62 A)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1287,1288,1289,
igr2=1284,1285,
&end
#
# 51 LEU HB+ 51 LEU MDX 4.50 (# 782:20 Unique 2.26, 3.30 A)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 733, 734,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:783 51 LEU MDX 4.50 (# 783:20 Single Ambig)
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 83,1220,1221,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 51 LEU HG 51 LEU MDX 3.50 (# 784:20 Unique 2.22, 2.63 A)
&rst
ixpk= 784, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:785 51 LEU MDX 2.80 (# 785:20 Single Ambig)
&rst
ixpk= 785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 85, 86, 87, 89, 90, 91, 369, 370, 371, 373,
374, 375, 49, 50, 51, 692, 693, 694,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 147 LYS HD+ 147 LYS HG+ 3.50 (# 789:20 Unique 2.22, 2.70 A)
&rst
ixpk= 789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2185,2186,
igr2=2182,2183,
&end
#
# 146 LEU MDX 146 LEU HG 5.50 (# 791:20 Unique 2.26, 2.63 A)
&rst
ixpk= 791, nxpk= 20, iat= -1,2163, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 88 ILE MD1 88 ILE HG1- 4.50 (# 792:20 Unique 2.20, 2.62 A)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1287,1288,1289,
igr2=1284,1285,
&end
#
# 0 AMB 20-2:794 109 LEU MDY 4.50 (# 794:20 Single Ambig)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1585,1545,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU HG 109 LEU MDY 4.50 (# 795:20 Unique 2.22, 2.63 A)
&rst
ixpk= 795, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU HB+ 109 LEU MDY 4.50 (# 796:20 Unique 2.13, 3.31 A)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1587,1588,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 52 VAL MGX 109 LEU MDY 4.50 (# 797:20 Unique 2.29, 5.22 A)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 754, 755, 756, 758, 759, 760,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU HB- 109 LEU MDY 4.50 (# 799:20 Unique 2.13, 3.31 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1587,1588,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 146 LEU MDY 146 LEU HG 5.50 (# 801:20 Unique 2.26, 2.63 A)
&rst
ixpk= 801, nxpk= 20, iat= -1,2163, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 52 VAL MGX 109 LEU MDX 5.50 (# 802:20 Unique 2.29, 5.22 A)
&rst
ixpk= 802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 754, 755, 756, 758, 759, 760,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:803 115 LYS HG- 2.80 (# 803:20 Single Ambig)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1676,1677,1217,1218,
igr2=1673,1674,
&end
#
# 0 AMB 20-2:804 0 AMB 20-1:804 3.50 (# 804:20 Double Ambig)
&rst
ixpk= 804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1676,1677,1217,1218,
igr2=1673,1674,1673,1674,
&end
#
# 0 AMB 20-2:805 109 LEU MDX 3.50 (# 805:20 Single Ambig)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1585,1545,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU HG 109 LEU MDX 3.50 (# 806:20 Unique 2.22, 2.63 A)
&rst
ixpk= 806, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU HB+ 109 LEU MDX 4.50 (# 807:20 Unique 2.13, 3.31 A)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1587,1588,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 105 LEU MDY 109 LEU MDX 4.50 (# 808:20 Unique 2.03, 4.74 A)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1533,1534,1535,1537,1538,1539,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:809 109 LEU MDX 4.50 (# 809:20 Single Ambig)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1050,1051,1052,1054,1055,1056,1587,1588,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 146 LEU HB- 146 LEU MDY 7.00 (# 812:20 Unique 2.02, 3.22 A)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2160,2161,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 146 LEU HG 146 LEU MDY 3.50 (# 813:20 Unique 2.26, 2.63 A)
&rst
ixpk= 813, nxpk= 20, iat=2163, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 77 LYS HD- 77 LYS HG+ 4.50 (# 815:20 Unique 2.23, 2.66 A)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1119,1120,
igr2=1116,1117,
&end
#
# 77 LYS HD- 77 LYS HG- 4.50 (# 816:20 Unique 2.23, 2.66 A)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1119,1120,
igr2=1116,1117,
&end
#
# 0 AMB 20-2:817 73 LEU MDX 5.50 (# 817:20 Single Ambig)
&rst
ixpk= 817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1526,1642,1643,1132,1133,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HA 73 LEU MDX 4.50 (# 818:20 Unique 1.92, 3.76 A)
&rst
ixpk= 818, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:819 73 LEU MDX 5.50 (# 819:20 Single Ambig)
&rst
ixpk= 819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1067,1068,1135,1136,1096,1097,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HB- 73 LEU MDX 4.50 (# 820:20 Unique 2.29, 3.27 A)
&rst
ixpk= 820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1045,1046,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:821 73 LEU MDX 3.50 (# 821:20 Single Ambig)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1592,1593,1594,1596,1597,1598, 588, 589, 590, 592,
593, 594,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:822 146 LEU MDY 7.00 (# 822:20 Single Ambig)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.28, r4=14.78,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 143 VAL HA 146 LEU MDY 5.50 (# 824:20 Unique 1.97, 4.02 A)
&rst
ixpk= 824, nxpk= 20, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 77 LYS HB+ 77 LYS HG+ 3.50 (# 825:20 Unique 2.22, 2.70 A)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1113,1114,
igr2=1116,1117,
&end
#
# 77 LYS HB+ 77 LYS HG- 4.50 (# 826:20 Unique 2.22, 2.70 A)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1113,1114,
igr2=1116,1117,
&end
#
# 73 LEU HB+ 73 LEU MDX 4.50 (# 827:20 Unique 2.29, 3.27 A)
&rst
ixpk= 827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1045,1046,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HG 73 LEU MDX 4.50 (# 828:20 Unique 2.34, 2.63 A)
&rst
ixpk= 828, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:829 73 LEU MDX 3.50 (# 829:20 Single Ambig)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1533,1534,1535,1537,1538,1539, 588, 589, 590, 592,
593, 594,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 146 LEU HB+ 146 LEU MDY 5.50 (# 833:20 Unique 2.02, 3.22 A)
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2160,2161,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 4 ILE MD1 146 LEU MDY 7.00 (# 834:20 Unique 4.84, 6.90 A)
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 56, 57, 58,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 105 LEU HA 105 LEU MDY 3.50 (# 836:20 Unique 1.96, 3.17 A)
&rst
ixpk= 836, nxpk= 20, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 70 TYR HA 105 LEU MDY 7.00 (# 837:20 Unique 2.70, 4.69 A)
&rst
ixpk= 837, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 70 TYR HB- 105 LEU MDY 7.00 (# 838:20 Unique 2.62, 5.15 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 999,1000,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 105 LEU HG 105 LEU MDY 3.50 (# 839:20 Unique 2.22, 2.63 A)
&rst
ixpk= 839, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 105 LEU HB- 105 LEU MDY 4.50 (# 840:20 Unique 2.23, 3.48 A)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1528,1529,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 90 ILE MD1 105 LEU MDY 5.50 (# 842:20 Unique 4.05, 6.82 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1313,1314,1315,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 25 LYS HA 25 LYS HG+ 5.50 (# 844:20 Unique 3.35, 3.57 A)
&rst
ixpk= 844, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 345, 346,
&end
#
# 25 LYS HB- 25 LYS HG- 5.50 (# 845:20 Unique 2.33, 2.55 A)
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 342, 343,
igr2= 345, 346,
&end
#
# 45 PRO HD+ 44 LEU MDX 7.00 (# 846:20 Unique 2.45, 4.38 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 645, 646,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 139 LEU MDY 25 LYS HG+ 5.50 (# 848:20 Unique 3.50, 5.76 A)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2055,2056,2057,2059,2060,2061,
igr2= 345, 346,
&end
#
# 25 LYS HB+ 25 LYS HG- 5.50 (# 849:20 Unique 2.33, 2.55 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 342, 343,
igr2= 345, 346,
&end
#
# 25 LYS HD+ 25 LYS HG- 4.50 (# 850:20 Unique 2.41, 2.58 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 348, 349,
igr2= 345, 346,
&end
#
# 45 PRO HD- 44 LEU MDX 5.50 (# 855:20 Unique 2.45, 4.38 A)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 645, 646,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 34 GLU HB+ 44 LEU MDX 4.50 (# 856:20 Unique 4.37, 5.97 A)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 478, 479,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HG 44 LEU MDX 3.50 (# 857:20 Unique 2.30, 2.63 A)
&rst
ixpk= 857, nxpk= 20, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HB- 44 LEU MDX 4.50 (# 858:20 Unique 2.37, 3.31 A)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 629, 630,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 5 THR MG2 44 LEU MDX 4.50 (# 859:20 Unique 2.99, 6.00 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 68, 69, 70,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 36 LEU MDX 44 LEU MDX 5.50 (# 860:20 Unique 6.12, 8.22 A)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 41 LEU HA 41 LEU MDY 3.50 (# 863:20 Unique 3.32, 4.06 A)
&rst
ixpk= 863, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:864 41 LEU MDY 7.00 (# 864:20 Single Ambig)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 965, 966,1135,1136,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 41 LEU HG 41 LEU MDY 3.50 (# 865:20 Unique 2.22, 2.63 A)
&rst
ixpk= 865, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:866 41 LEU MDY 3.50 (# 866:20 Single Ambig)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 583, 584,1048,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 12 LEU HG 12 LEU MDY 3.50 (# 869:20 Unique 2.22, 2.63 A)
&rst
ixpk= 869, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 41 LEU HB+ 41 LEU MDY 4.50 (# 870:20 Unique 1.99, 3.21 A)
&rst
ixpk= 870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 583, 584,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU MDX 41 LEU MDY 4.50 (# 871:20 Unique 2.37, 5.52 A)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1050,1051,1052,1054,1055,1056,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:874 0 AMB 20-1:874 3.50 (# 874:20 Double Ambig)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 965, 966,2053, 367,
igr2= 166, 167, 168, 170, 171, 172, 369, 370, 371, 373,
374, 375,
&end
#
# 51 LEU MDY 26 LEU MDX 4.50 (# 875:20 Unique 1.99, 5.27 A)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:876 36 LEU MDY 7.00 (# 876:20 Single Ambig)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 481, 482, 553, 554,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 34 GLU HB+ 36 LEU MDY 4.50 (# 877:20 Unique 2.27, 4.34 A)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 478, 479,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 36 LEU HB+ 36 LEU MDY 5.50 (# 878:20 Unique 2.03, 3.22 A)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 507, 508,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 36 LEU HG 36 LEU MDY 3.50 (# 879:20 Unique 2.23, 2.63 A)
&rst
ixpk= 879, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 36 LEU HB- 36 LEU MDY 4.50 (# 880:20 Unique 2.03, 3.22 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 507, 508,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 139 LEU MDY 26 LEU MDX 3.50 (# 882:20 Unique 1.99, 4.17 A)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2055,2056,2057,2059,2060,2061,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 120 THR HB 120 THR MG2 3.50 (# 883:20 Unique 2.23, 2.64 A)
&rst
ixpk= 883, nxpk= 20, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1747,1748,1749,
&end
#
# 0 AMB 20-2:884 0 AMB 20-1:884 3.50 (# 884:20 Double Ambig)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1268,1269,1270,1310,1311, 774, 775, 256, 257, 258,
igr2=1747,1748,1749, 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:885 26 LEU MDX 5.50 (# 885:20 Single Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2053, 367, 342, 343,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:886 0 AMB 20-1:886 7.00 (# 886:20 Double Ambig)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.61, r4=14.11,
igr1=1344,1345, 605, 606, 605, 606,
igr2=1747,1748,1749, 569, 570, 571, 573, 574, 575,
&end
#
# 18 VAL HA 18 VAL MGX 4.50 (# 887:20 Unique 2.30, 3.42 A)
&rst
ixpk= 887, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:888 0 AMB 20-1:888 3.50 (# 888:20 Double Ambig)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 240,1730,1731,
igr2= 242, 243, 244, 246, 247, 248,1747,1748,1749,
&end
#
# 40 LEU HB- 40 LEU MDY 3.50 (# 890:20 Unique 2.33, 3.28 A)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 564, 565,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 33 THR HB 33 THR MG2 3.50 (# 891:20 Unique 2.25, 2.64 A)
&rst
ixpk= 891, nxpk= 20, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 466, 467, 468,
&end
#
# 0 AMB 20-2:892 33 THR MG2 3.50 (# 892:20 Single Ambig)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 386, 387, 386, 387,
igr2= 466, 467, 468,
&end
#
# 26 LEU HB+ 33 THR MG2 4.50 (# 893:20 Unique 2.10, 3.50 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 364, 365,
igr2= 466, 467, 468,
&end
#
# 4 ILE HB 33 THR MG2 4.50 (# 894:20 Unique 2.02, 2.92 A)
&rst
ixpk= 894, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 466, 467, 468,
&end
#
# 0 AMB 20-2:895 33 THR MG2 2.80 (# 895:20 Single Ambig)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91, 49, 50, 51,
igr2= 466, 467, 468,
&end
#
# 117 THR HB 117 THR MG2 3.50 (# 896:20 Unique 2.23, 2.64 A)
&rst
ixpk= 896, nxpk= 20, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1711,1712,1713,
&end
#
# 146 LEU MDX 117 THR MG2 4.50 (# 897:20 Unique 4.20, 6.44 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2165,2166,2167,2169,2170,2171,
igr2=1711,1712,1713,
&end
#
# 0 AMB 20-2:899 0 AMB 20-1:899 7.00 (# 899:20 Double Ambig)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 367, 965, 966,
igr2= 466, 467, 468, 149, 150, 151,
&end
#
# 0 AMB 20-2:900 0 AMB 20-1:900 4.50 (# 900:20 Double Ambig)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 83, 317, 318, 319, 164,
igr2= 466, 467, 468, 149, 150, 151,
&end
#
# 39 PRO HB- 40 LEU MDY 5.50 (# 902:20 Unique 4.50, 6.05 A)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 553, 554,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 0 AMB 20-2:903 0 AMB 20-1:903 3.50 (# 903:20 Double Ambig)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1800, 567,
igr2= 242, 243, 244, 246, 247, 248, 569, 570, 571, 573,
574, 575,
&end
#
# 40 LEU HB+ 40 LEU MDY 4.50 (# 904:20 Unique 2.33, 3.28 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 564, 565,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 0 AMB 20-2:905 117 THR MG2 3.50 (# 905:20 Single Ambig)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1220,1221,1676,1677,2141,2142,1217,1218,
igr2=1711,1712,1713,
&end
#
# 86 GLY HA- 51 LEU MDY 5.50 (# 906:20 Unique 2.42, 5.45 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1259,1260,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 51 LEU HG 51 LEU MDY 3.50 (# 907:20 Unique 2.22, 2.63 A)
&rst
ixpk= 907, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:908 51 LEU MDY 4.50 (# 908:20 Single Ambig)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 85, 86, 87, 89, 90, 91, 369, 370, 371, 373,
374, 375, 49, 50, 51, 692, 693, 694,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:910 0 AMB 20-1:910 2.80 (# 910:20 Double Ambig)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2141,2142,1806,1807,1806,1807,
igr2=2146,2147,2148,2150,2151,2152, 303, 304, 305, 307,
308, 309,1764,1765,1766,1768,1769,1770,
&end
#
# 51 LEU HB+ 51 LEU MDY 5.50 (# 911:20 Unique 2.26, 3.30 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 733, 734,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:913 56 THR MG2 4.50 (# 913:20 Single Ambig)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 855, 856, 136, 137,
igr2= 811, 812, 813,
&end
#
# 0 AMB 20-2:914 143 VAL MGY 7.00 (# 914:20 Single Ambig)
&rst
ixpk= 914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=2053,2050,2051,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 147 LYS HD+ 143 VAL MGY 7.00 (# 915:20 Unique 2.00, 4.85 A)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2185,2186,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 143 VAL HA 143 VAL MGY 4.50 (# 916:20 Unique 2.17, 3.12 A)
&rst
ixpk= 916, nxpk= 20, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 143 VAL HB 143 VAL MGY 3.50 (# 917:20 Unique 2.23, 2.63 A)
&rst
ixpk= 917, nxpk= 20, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 29 ALA MB 143 VAL MGY 4.50 (# 918:20 Unique 1.99, 4.08 A)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 413, 414, 415,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 26 LEU MDX 143 VAL MGY 3.50 (# 919:20 Unique 4.17, 7.51 A)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 369, 370, 371, 373, 374, 375,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 0 AMB 20-2:920 0 AMB 20-1:920 3.50 (# 920:20 Double Ambig)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1800, 733, 734,
igr2= 303, 304, 305, 307, 308, 309,1764,1765,1766,1768,
1769,1770,
&end
#
# 0 AMB 20-2:921 87 ALA MB 3.50 (# 921:20 Single Ambig)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1310,1311,1747,1748,1749,
igr2=1268,1269,1270,
&end
#
# 0 AMB 20-2:923 56 THR MG2 4.50 (# 923:20 Single Ambig)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 855, 856, 136, 137,
igr2= 811, 812, 813,
&end
#
# 0 AMB 20-2:924 56 THR MG2 4.50 (# 924:20 Single Ambig)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1310,1311,1268,1269,1270,
igr2= 811, 812, 813,
&end
#
# 0 AMB 20-2:925 143 VAL MGX 5.50 (# 925:20 Single Ambig)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2053,2050,2051,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 0 AMB 20-2:926 143 VAL MGY 7.00 (# 926:20 Single Ambig)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1=2076,2077,2076,2077,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 146 LEU MDY 143 VAL MGY 5.50 (# 927:20 Unique 3.10, 6.02 A)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 0 AMB 20-2:928 0 AMB 20-1:928 3.50 (# 928:20 Double Ambig)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 296,2048,1132,1133,
igr2= 303, 304, 305, 307, 308, 309,1764,1765,1766,1768,
1769,1770,1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:929 0 AMB 20-1:929 7.00 (# 929:20 Double Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
igr1=2026,2027, 787, 788,
igr2=1764,1765,1766,1768,1769,1770, 754, 755, 756, 758,
759, 760,
&end
#
# 0 AMB 20-2:930 0 AMB 20-1:930 4.50 (# 930:20 Double Ambig)
&rst
ixpk= 930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 301, 602, 603,
igr2= 303, 304, 305, 307, 308, 309, 68, 69, 70,
&end
#
# 0 AMB 20-2:931 0 AMB 20-1:931 3.50 (# 931:20 Double Ambig)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 774, 775, 99, 662, 663, 664,
igr2= 303, 304, 305, 307, 308, 309, 754, 755, 756, 758,
759, 760,1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:933 0 AMB 20-1:933 3.50 (# 933:20 Double Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1280,1281,1282,1762,
igr2=1764,1765,1766,1768,1769,1770, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 20-2:934 121 LEU MDX 7.00 (# 934:20 Single Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1=1759,1760,1284,1285,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 143 VAL HA 143 VAL MGX 4.50 (# 938:20 Unique 2.17, 3.12 A)
&rst
ixpk= 938, nxpk= 20, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 143 VAL HB 143 VAL MGX 3.50 (# 939:20 Unique 2.23, 2.63 A)
&rst
ixpk= 939, nxpk= 20, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 29 ALA MB 143 VAL MGX 5.50 (# 940:20 Unique 1.99, 4.08 A)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 413, 414, 415,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 26 LEU MDX 143 VAL MGX 5.50 (# 941:20 Unique 4.17, 7.51 A)
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 369, 370, 371, 373, 374, 375,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 146 LEU MDY 143 VAL MGX 5.50 (# 942:20 Unique 3.10, 6.02 A)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 20 GLU HG+ 35 THR MG2 7.00 (# 944:20 Unique 3.24, 5.38 A)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 269, 270,
igr2= 495, 496, 497,
&end
#
# 0 AMB 20-2:948 0 AMB 20-1:948 4.50 (# 948:20 Double Ambig)
&rst
ixpk= 948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1135,1136, 367,
igr2=1166,1167,1168,1170,1171,1172, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 20-2:949 0 AMB 20-1:949 3.50 (# 949:20 Double Ambig)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 774, 775, 99,1161,1162,
igr2= 303, 304, 305, 307, 308, 309, 754, 755, 756, 758,
759, 760,1166,1167,1168,1170,1171,1172,
&end
#
# 78 PRO HB- 80 LEU MDX 5.50 (# 950:20 Unique 2.61, 4.52 A)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1138,1139,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 35 THR HB 35 THR MG2 4.50 (# 951:20 Unique 2.23, 2.64 A)
&rst
ixpk= 951, nxpk= 20, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 495, 496, 497,
&end
#
# 6 LEU HB+ 35 THR MG2 5.50 (# 952:20 Unique 3.15, 4.63 A)
&rst
ixpk= 952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 80, 81,
igr2= 495, 496, 497,
&end
#
# 0 AMB 20-2:953 35 THR MG2 3.50 (# 953:20 Single Ambig)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 256, 257, 258, 80, 81,
igr2= 495, 496, 497,
&end
#
# 5 THR HB 5 THR MG2 3.50 (# 954:20 Unique 2.23, 2.64 A)
&rst
ixpk= 954, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 68, 69, 70,
&end
#
# 53 ILE MG2 22 LEU MDX 3.50 (# 955:20 Unique 2.30, 5.04 A)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 770, 771, 772,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 20-2:956 0 AMB 20-1:956 3.50 (# 956:20 Double Ambig)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1592,1593,1594,1596,1597,1598, 634, 635, 636, 638,
639, 640, 101, 102, 103,
igr2= 754, 755, 756, 758, 759, 760, 68, 69, 70,
&end
#
# 78 PRO HG+ 80 LEU MDX 5.50 (# 957:20 Unique 1.98, 3.83 A)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1135,1136,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:958 80 LEU MDX 3.50 (# 958:20 Single Ambig)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 662, 663, 664,1164,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 80 LEU HB+ 80 LEU MDX 4.50 (# 959:20 Unique 2.11, 3.47 A)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1161,1162,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 114 ALA MB 80 LEU MDX 4.50 (# 960:20 Unique 4.21, 5.64 A)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1660,1661,1662,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 83 VAL MGX 80 LEU MDX 4.50 (# 961:20 Unique 2.00, 5.60 A)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1203,1204,1205,1207,1208,1209,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 52 VAL HB 52 VAL MGY 3.50 (# 963:20 Unique 2.28, 2.63 A)
&rst
ixpk= 963, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:964 52 VAL MGX 5.50 (# 964:20 Single Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 787, 788,1241,1242,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 52 VAL HB 52 VAL MGX 3.50 (# 965:20 Unique 2.28, 2.63 A)
&rst
ixpk= 965, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 7 ILE HB 52 VAL MGX 4.50 (# 966:20 Unique 1.99, 4.25 A)
&rst
ixpk= 966, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 18 VAL HB 18 VAL MGY 3.50 (# 969:20 Unique 2.23, 2.63 A)
&rst
ixpk= 969, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:970 18 VAL MGY 4.50 (# 970:20 Single Ambig)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 774, 775, 256, 257, 258,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 123 ILE MG2 18 VAL MGY 2.80 (# 971:20 Unique 2.69, 5.08 A)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1802,1803,1804,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:972 0 AMB 20-1:972 4.50 (# 972:20 Double Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2158, 645, 646,
igr2=2165,2166,2167,2169,2170,2171,1203,1204,1205,1207,
1208,1209,
&end
#
# 146 LEU HB+ 146 LEU MDX 4.50 (# 973:20 Unique 2.02, 3.22 A)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2160,2161,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 80 LEU MDY 83 VAL MGX 3.50 (# 974:20 Unique 2.00, 5.60 A)
&rst
ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1166,1167,1168,1170,1171,1172,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 18 VAL HA 18 VAL MGY 4.50 (# 976:20 Unique 2.30, 3.42 A)
&rst
ixpk= 976, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 83 VAL HB 83 VAL MGX 3.50 (# 977:20 Unique 2.22, 2.63 A)
&rst
ixpk= 977, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:978 0 AMB 20-1:978 3.50 (# 978:20 Double Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1166,1167,1168,1170,1171,1172, 699, 700, 701,
igr2=1203,1204,1205,1207,1208,1209,2165,2166,2167,2169,
2170,2171,
&end
#
# 0 AMB 20-2:980 83 VAL MGX 5.50 (# 980:20 Single Ambig)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1164, 662, 663, 664,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 146 LEU HB- 146 LEU MDX 4.50 (# 981:20 Unique 2.02, 3.22 A)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2160,2161,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:985 72 ALA MB 4.50 (# 985:20 Single Ambig)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1081,1082,1081,1082, 968, 969,1020,1021,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:986 72 ALA MB 4.50 (# 986:20 Single Ambig)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 583, 584,1045,1046,
igr2=1035,1036,1037,
&end
#
# 41 LEU MDX 72 ALA MB 3.50 (# 987:20 Unique 2.00, 4.09 A)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1035,1036,1037,
&end
#
# 69 PHE HB+ 72 ALA MB 7.00 (# 988:20 Unique 5.78, 6.78 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 979, 980,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:989 2 ALA MB 5.50 (# 989:20 Single Ambig)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 317, 318, 319, 83,
igr2= 25, 26, 27,
&end
#
# 2 ALA HA 2 ALA MB 3.50 (# 990:20 Unique 2.22, 2.63 A)
&rst
ixpk= 990, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 25, 26, 27,
&end
#
# 34 GLU HB+ 2 ALA MB 3.50 (# 991:20 Unique 2.06, 3.85 A)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 478, 479,
igr2= 25, 26, 27,
&end
#
# 49 ILE HB 49 ILE MG2 4.50 (# 992:20 Unique 2.22, 2.63 A)
&rst
ixpk= 992, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 692, 693, 694,
&end
#
# 49 ILE HG1- 49 ILE MG2 4.50 (# 993:20 Unique 2.40, 3.51 A)
&rst
ixpk= 993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 696, 697,
igr2= 692, 693, 694,
&end
#
# 51 LEU MDY 49 ILE MG2 4.50 (# 994:20 Unique 2.00, 4.70 A)
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 692, 693, 694,
&end
#
# 146 LEU MDY 49 ILE MG2 5.50 (# 995:20 Unique 3.77, 6.54 A)
&rst
ixpk= 995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2165,2166,2167,2169,2170,2171,
igr2= 692, 693, 694,
&end
#
# 34 GLU HG+ 2 ALA MB 4.50 (# 998:20 Unique 2.60, 4.16 A)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 481, 482,
igr2= 25, 26, 27,
&end
#
# 0 AMB 20-2:999 49 ILE MG2 5.50 (# 999:20 Single Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2165,2166,2167,2169,2170,2171,1203,1204,1205,1207,
1208,1209,
igr2= 692, 693, 694,
&end
#
# 83 VAL MGY 114 ALA MB 4.50 (# 1000:20 Unique 2.57, 5.01 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1203,1204,1205,1207,1208,1209,
igr2=1660,1661,1662,
&end
#
# 80 LEU MDX 83 VAL MGY 7.00 (# 1001:20 Unique 2.00, 5.60 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=1166,1167,1168,1170,1171,1172,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:1002 114 ALA MB 4.50 (# 1002:20 Single Ambig)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1217,1218,1201,1670,1671,
igr2=1660,1661,1662,
&end
#
# 80 LEU HB- 114 ALA MB 3.50 (# 1003:20 Unique 1.97, 3.15 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1161,1162,
igr2=1660,1661,1662,
&end
#
# 0 AMB 20-2:1004 114 ALA MB 4.50 (# 1004:20 Single Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
igr2=1660,1661,1662,
&end
#
# 109 LEU HB- 114 ALA MB 4.50 (# 1005:20 Unique 4.70, 6.31 A)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1587,1588,
igr2=1660,1661,1662,
&end
#
# 114 ALA MB 83 VAL MGY 4.50 (# 1006:20 Unique 2.57, 5.01 A)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1660,1661,1662,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 109 LEU HA 114 ALA MB 7.00 (# 1009:20 Unique 5.02, 6.15 A)
&rst
ixpk= 1009, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1660,1661,1662,
&end
#
# 83 VAL HB 83 VAL MGY 4.50 (# 1010:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1010, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 26 LEU MDX 29 ALA MB 5.50 (# 1011:20 Unique 3.52, 5.74 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 369, 370, 371, 373, 374, 375,
igr2= 413, 414, 415,
&end
#
# 90 ILE HB 90 ILE MG2 4.50 (# 1012:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1012, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1306,1307,1308,
&end
#
# 143 VAL MGY 29 ALA MB 3.50 (# 1013:20 Unique 1.99, 4.08 A)
&rst
ixpk= 1013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2113,2114,2115,2117,2118,2119,
igr2= 413, 414, 415,
&end
#
# 122 LYS HG+ 130 ILE MG2 5.50 (# 1016:20 Unique 3.11, 6.20 A)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1781,1782,
igr2=1914,1915,1916,
&end
#
# 0 AMB 20-2:1017 90 ILE MG2 4.50 (# 1017:20 Single Ambig)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1310,1311,1268,1269,1270,
igr2=1306,1307,1308,
&end
#
# 90 ILE MD1 90 ILE MG2 3.50 (# 1018:20 Unique 2.05, 3.48 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1313,1314,1315,
igr2=1306,1307,1308,
&end
#
# 104 LYS HB+ 107 ALA MB 4.50 (# 1019:20 Unique 4.12, 5.36 A)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1506,1507,
igr2=1562,1563,1564,
&end
#
# 0 AMB 20-2:1020 82 ALA MB 3.50 (# 1020:20 Single Ambig)
&rst
ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 672, 673, 672, 673,
igr2=1191,1192,1193,
&end
#
# 0 AMB 20-2:1022 19 ALA MB 5.50 (# 1022:20 Single Ambig)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 185, 186, 315, 296,
igr2= 256, 257, 258,
&end
#
# 22 LEU MDX 19 ALA MB 4.50 (# 1023:20 Unique 4.62, 7.32 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 256, 257, 258,
&end
#
# 0 AMB 20-2:1024 19 ALA MB 3.50 (# 1024:20 Single Ambig)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 242, 243, 244, 246, 247, 248, 777, 778, 779,
igr2= 256, 257, 258,
&end
#
# 88 ILE MD1 19 ALA MB 5.50 (# 1025:20 Unique 6.95, 8.66 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1287,1288,1289,
igr2= 256, 257, 258,
&end
#
# 0 AMB 20-2:1026 59 ALA MB 4.50 (# 1026:20 Single Ambig)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 798, 799, 845,
igr2= 847, 848, 849,
&end
#
# 130 ILE HG1+ 130 ILE MG2 4.50 (# 1029:20 Unique 2.13, 3.38 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1918,1919,
igr2=1914,1915,1916,
&end
#
# 0 AMB 20-2:1030 107 ALA MB 7.00 (# 1030:20 Single Ambig)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1547,1548,1550,1551,
igr2=1562,1563,1564,
&end
#
# 0 AMB 20-2:1031 107 ALA MB 5.50 (# 1031:20 Single Ambig)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1572,1573,1606,1607,
igr2=1562,1563,1564,
&end
#
# 83 VAL MGX 82 ALA MB 5.50 (# 1032:20 Unique 4.34, 6.57 A)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1203,1204,1205,1207,1208,1209,
igr2=1191,1192,1193,
&end
#
# 131 PRO HD- 130 ILE MG2 5.50 (# 1034:20 Unique 1.90, 3.47 A)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1928,1929,
igr2=1914,1915,1916,
&end
#
# 130 ILE HG1- 130 ILE MG2 4.50 (# 1035:20 Unique 2.13, 3.38 A)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1918,1919,
igr2=1914,1915,1916,
&end
#
# 19 ALA HA 19 ALA MB 4.50 (# 1038:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1038, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 256, 257, 258,
&end
#
# 0 AMB 20-2:1039 19 ALA MB 5.50 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 118, 119, 118, 119,
igr2= 256, 257, 258,
&end
#
# 0 AMB 20-2:1040 19 ALA MB 4.50 (# 1040:20 Single Ambig)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 242, 243, 244, 246, 247, 248, 85, 86, 87, 89,
90, 91,
igr2= 256, 257, 258,
&end
#
# 130 ILE HB 130 ILE MG2 4.50 (# 1041:20 Unique 2.31, 2.63 A)
&rst
ixpk= 1041, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1914,1915,1916,
&end
#
# 130 ILE HG1+ 130 ILE MG2 4.50 (# 1042:20 Unique 2.13, 3.38 A)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1918,1919,
igr2=1914,1915,1916,
&end
#
# 80 LEU MDX 46 ALA MB 3.50 (# 1044:20 Unique 2.09, 4.63 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1166,1167,1168,1170,1171,1172,
igr2= 662, 663, 664,
&end
#
# 23 ALA HA 23 ALA MB 3.50 (# 1046:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1046, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 317, 318, 319,
&end
#
# 16 GLU HB+ 23 ALA MB 7.00 (# 1047:20 Unique 7.18, 8.70 A)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 204, 205,
igr2= 317, 318, 319,
&end
#
# 0 AMB 20-2:1048 23 ALA MB 4.50 (# 1048:20 Single Ambig)
&rst
ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 298, 299, 466, 467, 468,
igr2= 317, 318, 319,
&end
#
# 0 AMB 20-2:1049 23 ALA MB 3.50 (# 1049:20 Single Ambig)
&rst
ixpk= 1049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
igr2= 317, 318, 319,
&end
#
# 53 ILE HB 53 ILE MG2 4.50 (# 1050:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1050, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 770, 771, 772,
&end
#
# 53 ILE HG1+ 53 ILE MG2 3.50 (# 1051:20 Unique 2.12, 3.14 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 774, 775,
igr2= 770, 771, 772,
&end
#
# 18 VAL MGX 53 ILE MG2 4.50 (# 1052:20 Unique 2.06, 4.31 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 242, 243, 244, 246, 247, 248,
igr2= 770, 771, 772,
&end
#
# 88 ILE MG2 53 ILE MG2 5.50 (# 1053:20 Unique 2.00, 4.23 A)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1280,1281,1282,
igr2= 770, 771, 772,
&end
#
# 4 ILE HG1+ 4 ILE MG2 4.50 (# 1054:20 Unique 2.49, 3.52 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 53, 54,
igr2= 49, 50, 51,
&end
#
# 0 AMB 20-2:1055 4 ILE MG2 3.50 (# 1055:20 Single Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 56, 57, 58, 738, 739, 740, 742, 743, 744,
igr2= 49, 50, 51,
&end
#
# 123 ILE HG1- 123 ILE MG2 5.50 (# 1056:20 Unique 2.25, 3.12 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1806,1807,
igr2=1802,1803,1804,
&end
#
# 0 AMB 20-2:1059 7 ILE MG2 5.50 (# 1059:20 Single Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 787, 788, 709, 710,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:1060 123 ILE MG2 7.00 (# 1060:20 Single Ambig)
&rst
ixpk= 1060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 342, 343,2050,2051,2053, 367,
igr2=1802,1803,1804,
&end
#
# 123 ILE HB 123 ILE MG2 3.50 (# 1061:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1061, nxpk= 20, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1802,1803,1804,
&end
#
# 7 ILE HB 7 ILE MG2 3.50 (# 1062:20 Unique 2.35, 2.63 A)
&rst
ixpk= 1062, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:1063 7 ILE MG2 4.50 (# 1063:20 Single Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 105, 106, 754, 755, 756, 758, 759, 760,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:1064 7 ILE MG2 4.50 (# 1064:20 Single Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 777, 778, 779, 774, 775,
igr2= 101, 102, 103,
&end
#
# 53 ILE HG1+ 88 ILE MG2 3.50 (# 1070:20 Unique 2.58, 4.09 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 774, 775,
igr2=1280,1281,1282,
&end
#
# 0 AMB 20-2:1071 88 ILE MG2 4.50 (# 1071:20 Single Ambig)
&rst
ixpk= 1071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1802,1803,1804,1759,1760,
igr2=1280,1281,1282,
&end
#
# 0 AMB 20-2:1072 88 ILE MG2 3.50 (# 1072:20 Single Ambig)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 770, 771, 772,1284,1285,1809,1810,1811, 774, 775,
igr2=1280,1281,1282,
&end
#
# 88 ILE MD1 88 ILE MG2 3.50 (# 1073:20 Unique 2.10, 3.62 A)
&rst
ixpk= 1073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1287,1288,1289,
igr2=1280,1281,1282,
&end
#
# 0 AMB 20-2:1074 88 ILE MG2 5.50 (# 1074:20 Single Ambig)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1759,1760,1284,1285,
igr2=1280,1281,1282,
&end
#
# 19 ALA HA 53 ILE MD1 4.50 (# 1075:20 Unique 3.02, 4.38 A)
&rst
ixpk= 1075, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 777, 778, 779,
&end
#
# 53 ILE HB 53 ILE MD1 4.50 (# 1076:20 Unique 2.08, 2.92 A)
&rst
ixpk= 1076, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 777, 778, 779,
&end
#
# 0 AMB 20-2:1077 53 ILE MD1 3.50 (# 1077:20 Single Ambig)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 774, 775, 80, 81,
igr2= 777, 778, 779,
&end
#
# 0 AMB 20-2:1078 53 ILE MD1 5.50 (# 1078:20 Single Ambig)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 298, 299, 736,
igr2= 777, 778, 779,
&end
#
# 6 LEU MDX 53 ILE MD1 3.50 (# 1079:20 Unique 2.02, 4.64 A)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 777, 778, 779,
&end
#
# 88 ILE MD1 53 ILE MD1 4.50 (# 1080:20 Unique 3.01, 4.60 A)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1287,1288,1289,
igr2= 777, 778, 779,
&end
#
# 0 AMB 20-2:1081 7 ILE MD1 4.50 (# 1081:20 Single Ambig)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 754, 755, 756, 758, 759, 760, 68, 69, 70, 588,
589, 590, 592, 593, 594,
igr2= 108, 109, 110,
&end
#
# 50 TRP HB+ 7 ILE MD1 4.50 (# 1082:20 Unique 3.14, 4.98 A)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 709, 710,
igr2= 108, 109, 110,
&end
#
# 7 ILE HB 7 ILE MD1 4.50 (# 1083:20 Unique 2.37, 3.13 A)
&rst
ixpk= 1083, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:1084 7 ILE MD1 3.50 (# 1084:20 Single Ambig)
&rst
ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 105, 106, 754, 755, 756, 758, 759, 760,
igr2= 108, 109, 110,
&end
#
# 90 ILE HB 90 ILE MD1 5.50 (# 1087:20 Unique 2.47, 3.24 A)
&rst
ixpk= 1087, nxpk= 20, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1313,1314,1315,
&end
#
# 0 AMB 20-2:1088 88 ILE MD1 5.50 (# 1088:20 Single Ambig)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 303, 304, 305, 307, 308, 309,1764,1765,1766,1768,
1769,1770,
igr2=1287,1288,1289,
&end
#
# 0 AMB 20-2:1089 88 ILE MD1 3.50 (# 1089:20 Single Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 774, 775,1284,1285, 777, 778, 779,
igr2=1287,1288,1289,
&end
#
# 88 ILE MG2 88 ILE MD1 3.50 (# 1090:20 Unique 2.10, 3.62 A)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1280,1281,1282,
igr2=1287,1288,1289,
&end
#
# 88 ILE HG1+ 88 ILE MD1 4.50 (# 1091:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1284,1285,
igr2=1287,1288,1289,
&end
#
# 49 ILE HB 49 ILE MD1 4.50 (# 1093:20 Unique 3.57, 3.92 A)
&rst
ixpk= 1093, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 699, 700, 701,
&end
#
# 49 ILE HG1- 49 ILE MD1 3.50 (# 1094:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 696, 697,
igr2= 699, 700, 701,
&end
#
# 0 AMB 20-2:1095 49 ILE MD1 4.50 (# 1095:20 Single Ambig)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2165,2166,2167,2169,2170,2171,1203,1204,1205,1207,
1208,1209,
igr2= 699, 700, 701,
&end
#
# 146 LEU MDY 49 ILE MD1 4.50 (# 1096:20 Unique 3.18, 5.85 A)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2165,2166,2167,2169,2170,2171,
igr2= 699, 700, 701,
&end
#
# 18 VAL HB 123 ILE MD1 4.50 (# 1097:20 Unique 2.82, 4.37 A)
&rst
ixpk= 1097, nxpk= 20, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1809,1810,1811,
&end
#
# 53 ILE HG1+ 88 ILE MD1 4.50 (# 1098:20 Unique 2.05, 3.28 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 774, 775,
igr2=1287,1288,1289,
&end
#
# 0 AMB 20-2:1101 90 ILE MD1 2.80 (# 1101:20 Single Ambig)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1268,1269,1270,1310,1311,
igr2=1313,1314,1315,
&end
#
# 0 AMB 20-2:1102 0 AMB 20-1:1102 2.80 (# 1102:20 Double Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1310,1311, 303, 304, 305, 307, 308, 309,
igr2=1313,1314,1315,1809,1810,1811,
&end
#
# 0 AMB 20-2:1103 88 ILE MD1 5.50 (# 1103:20 Single Ambig)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 303, 304, 305, 307, 308, 309,1764,1765,1766,1768,
1769,1770,
igr2=1287,1288,1289,
&end
#
# 123 ILE HB 123 ILE MD1 4.50 (# 1104:20 Unique 2.10, 3.00 A)
&rst
ixpk= 1104, nxpk= 20, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1809,1810,1811,
&end
#
# 88 ILE MG2 123 ILE MD1 3.50 (# 1105:20 Unique 2.50, 4.81 A)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1280,1281,1282,
igr2=1809,1810,1811,
&end
#
# 0 AMB 20-2:1106 4 ILE MD1 4.50 (# 1106:20 Single Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 696, 697, 47,
igr2= 56, 57, 58,
&end
#
# 0 AMB 20-2:1107 4 ILE MD1 2.80 (# 1107:20 Single Ambig)
&rst
ixpk= 1107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 49, 50, 51, 692, 693, 694,
igr2= 56, 57, 58,
&end
#
# 146 LEU MDY 4 ILE MD1 4.50 (# 1108:20 Unique 4.84, 6.90 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2165,2166,2167,2169,2170,2171,
igr2= 56, 57, 58,
&end
#
# 4 ILE HG1+ 4 ILE MD1 4.50 (# 1109:20 Unique 2.35, 2.62 A)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 53, 54,
igr2= 56, 57, 58,
&end
#
# 31 PHE HB+ 4 ILE MD1 7.00 (# 1110:20 Unique 3.11, 4.26 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 430, 431,
igr2= 56, 57, 58,
&end
#
# 130 ILE HB 130 ILE MD1 4.50 (# 1111:20 Unique 2.18, 3.50 A)
&rst
ixpk= 1111, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1921,1922,1923,
&end
#
# 130 ILE HG1- 130 ILE MD1 3.50 (# 1112:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1918,1919,
igr2=1921,1922,1923,
&end
#
# 130 ILE HG1+ 130 ILE MD1 3.50 (# 1113:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1918,1919,
igr2=1921,1922,1923,
&end
#
# 117 THR HA 117 THR HB 5.50 (# 1115:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1115, nxpk= 20, iat=1707,1709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 THR HN 117 THR HB 4.50 (# 1116:20 Unique 2.39, 2.51 A)
&rst
ixpk= 1116, nxpk= 20, iat=1705,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 ARG HE 117 THR HB 4.50 (# 1117:20 Unique 1.98, 2.51 A)
&rst
ixpk= 1117, nxpk= 20, iat=1226,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 VAL HN 143 VAL HA 5.50 (# 1118:20 Unique 2.75, 2.78 A)
&rst
ixpk= 1118, nxpk= 20, iat=2107,2109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1119 143 VAL HA 5.50 (# 1119:20 Single Ambig)
&rst
ixpk= 1119, nxpk= 20, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2156,2102,
&end
#
# 73 LEU HN 73 LEU HA 5.50 (# 1121:20 Unique 2.75, 2.75 A)
&rst
ixpk= 1121, nxpk= 20, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 THR HN 116 GLN HA 3.50 (# 1122:20 Unique 2.14, 2.14 A)
&rst
ixpk= 1122, nxpk= 20, iat=1705,1690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1123 116 GLN HA 4.50 (# 1123:20 Single Ambig)
&rst
ixpk= 1123, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1245,1253,1688,1237,
&end
#
# 77 LYS HN 78 PRO HD- 5.50 (# 1124:20 Unique 2.65, 2.87 A)
&rst
ixpk= 1124, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:1125 68 PRO HD- 4.50 (# 1125:20 Single Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 954, 955, 954, 955,
igr2= 962, 963,
&end
#
# 67 SER HN 68 PRO HD- 5.50 (# 1126:20 Unique 1.73, 2.40 A)
&rst
ixpk= 1126, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 962, 963,
&end
#
# 44 LEU HA 45 PRO HD- 3.50 (# 1127:20 Unique 2.32, 2.40 A)
&rst
ixpk= 1127, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 645, 646,
&end
#
# 0 AMB 20-2:1131 0 AMB 20-1:1131 3.50 (# 1131:20 Double Ambig)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1649, 419,
igr2=1651,1652, 421, 422,
&end
#
# 85 PHE HA 85 PHE HB+ 4.50 (# 1133:20 Unique 2.24, 2.72 A)
&rst
ixpk= 1133, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1241,1242,
&end
#
# 85 PHE HA 85 PHE HB- 5.50 (# 1137:20 Unique 2.24, 2.72 A)
&rst
ixpk= 1137, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1241,1242,
&end
#
# 116 GLN HE2+ 86 GLY HA- 7.00 (# 1140:20 Unique 4.05, 5.75 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1700,1701,
igr2=1259,1260,
&end
#
# 146 LEU HN 146 LEU HB- 4.50 (# 1144:20 Unique 2.22, 2.93 A)
&rst
ixpk= 1144, nxpk= 20, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2160,2161,
&end
#
# 139 LEU HN 139 LEU HB- 5.50 (# 1145:20 Unique 2.05, 2.70 A)
&rst
ixpk= 1145, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2050,2051,
&end
#
# 146 LEU HN 146 LEU HB+ 4.50 (# 1146:20 Unique 2.22, 2.93 A)
&rst
ixpk= 1146, nxpk= 20, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2160,2161,
&end
#
# 32 THR HN 3 ASP HB+ 5.50 (# 1149:20 Unique 2.75, 2.92 A)
&rst
ixpk= 1149, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 35, 36,
&end
#
# 42 GLU HN 41 LEU HB+ 5.50 (# 1152:20 Unique 3.59, 3.85 A)
&rst
ixpk= 1152, nxpk= 20, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 583, 584,
&end
#
# 145 LEU HN 145 LEU HB- 5.50 (# 1153:20 Unique 2.04, 2.69 A)
&rst
ixpk= 1153, nxpk= 20, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2141,2142,
&end
#
# 41 LEU HN 0 AMB 20-1:1154 5.50 (# 1154:20 Single Ambig)
&rst
ixpk= 1154, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 583, 584, 564, 565,
&end
#
# 145 LEU HA 145 LEU HB+ 4.50 (# 1155:20 Unique 2.75, 2.84 A)
&rst
ixpk= 1155, nxpk= 20, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2141,2142,
&end
#
# 3 ASP HA 3 ASP HB+ 4.50 (# 1156:20 Unique 2.69, 2.83 A)
&rst
ixpk= 1156, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 35, 36,
&end
#
# 4 ILE HN 3 ASP HB+ 5.50 (# 1157:20 Unique 3.20, 3.52 A)
&rst
ixpk= 1157, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 35, 36,
&end
#
# 3 ASP HA 3 ASP HB- 4.50 (# 1158:20 Unique 2.69, 2.83 A)
&rst
ixpk= 1158, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 35, 36,
&end
#
# 0 AMB 20-2:1160 0 AMB 20-1:1160 5.50 (# 1160:20 Double Ambig)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 579, 62,
igr2= 583, 584, 629, 630,
&end
#
# 44 LEU HA 44 LEU HB+ 5.50 (# 1161:20 Unique 2.49, 2.76 A)
&rst
ixpk= 1161, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 629, 630,
&end
#
# 44 LEU HN 44 LEU HB+ 4.50 (# 1162:20 Unique 2.40, 3.04 A)
&rst
ixpk= 1162, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 629, 630,
&end
#
# 12 LEU HA 12 LEU HB+ 4.50 (# 1163:20 Unique 2.43, 2.82 A)
&rst
ixpk= 1163, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 161, 162,
&end
#
# 0 AMB 20-2:1164 40 LEU HB- 4.50 (# 1164:20 Single Ambig)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 562, 615,
igr2= 564, 565,
&end
#
# 0 AMB 20-2:1165 0 AMB 20-1:1165 7.00 (# 1165:20 Double Ambig)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 562, 615,
igr2= 564, 565, 564, 565,
&end
#
# 41 LEU HN 41 LEU HB- 5.50 (# 1166:20 Unique 3.15, 3.57 A)
&rst
ixpk= 1166, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 583, 584,
&end
#
# 0 AMB 20-2:1167 0 AMB 20-1:1167 4.50 (# 1167:20 Double Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 766, 78,
igr2=1278, 80, 81,
&end
#
# 44 LEU HA 44 LEU HB- 7.00 (# 1168:20 Unique 2.49, 2.76 A)
&rst
ixpk= 1168, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 629, 630,
&end
#
# 43 ASP HA 43 ASP HB+ 3.50 (# 1169:20 Unique 2.82, 2.85 A)
&rst
ixpk= 1169, nxpk= 20, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 617, 618,
&end
#
# 40 LEU HN 40 LEU HB+ 5.50 (# 1171:20 Unique 2.45, 3.08 A)
&rst
ixpk= 1171, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 564, 565,
&end
#
# 43 ASP HN 43 ASP HB+ 3.50 (# 1172:20 Unique 2.07, 2.68 A)
&rst
ixpk= 1172, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 617, 618,
&end
#
# 52 VAL HA 7 ILE HB 5.50 (# 1175:20 Unique 2.11, 2.29 A)
&rst
ixpk= 1175, nxpk= 20, iat= 750, 99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ASP HA 96 ASP HB+ 3.50 (# 1176:20 Unique 2.28, 2.68 A)
&rst
ixpk= 1176, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1401,1402,
&end
#
# 31 PHE HA 31 PHE HB+ 5.50 (# 1177:20 Unique 2.25, 2.50 A)
&rst
ixpk= 1177, nxpk= 20, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 430, 431,
&end
#
# 64 ASP HA 64 ASP HB+ 4.50 (# 1180:20 Unique 2.28, 2.59 A)
&rst
ixpk= 1180, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1181 103 ASP HB- 5.50 (# 1181:20 Single Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1492,1339,
igr2=1494,1495,
&end
#
# 80 LEU HA 80 LEU HB+ 5.50 (# 1182:20 Unique 2.44, 2.74 A)
&rst
ixpk= 1182, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1161,1162,
&end
#
# 103 ASP HA 103 ASP HB+ 4.50 (# 1183:20 Unique 2.33, 2.46 A)
&rst
ixpk= 1183, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1494,1495,
&end
#
# 70 TYR HD 70 TYR HB- 5.50 (# 1184:20 Unique 2.34, 3.05 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1003,1012,
igr2= 999,1000,
&end
#
# 70 TYR HN 70 TYR HB- 5.50 (# 1185:20 Unique 2.07, 2.64 A)
&rst
ixpk= 1185, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 999,1000,
&end
#
# 79 ASP HN 79 ASP HB+ 3.50 (# 1186:20 Unique 2.64, 2.76 A)
&rst
ixpk= 1186, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1149,1150,
&end
#
# 79 ASP HN 79 ASP HB- 4.50 (# 1187:20 Unique 2.64, 2.76 A)
&rst
ixpk= 1187, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 79 ASP HA 79 ASP HB- 4.50 (# 1188:20 Unique 2.55, 2.79 A)
&rst
ixpk= 1188, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 70 TYR HD 70 TYR HB+ 4.50 (# 1189:20 Unique 2.34, 3.05 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1003,1012,
igr2= 999,1000,
&end
#
# 79 ASP HA 79 ASP HB+ 4.50 (# 1190:20 Unique 2.55, 2.79 A)
&rst
ixpk= 1190, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 79 ASP HN 79 ASP HB- 4.50 (# 1191:20 Unique 2.64, 2.76 A)
&rst
ixpk= 1191, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 49 ILE HN 49 ILE HB 5.50 (# 1193:20 Unique 2.87, 2.96 A)
&rst
ixpk= 1193, nxpk= 20, iat= 686, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 TYR HN 70 TYR HB+ 4.50 (# 1194:20 Unique 2.07, 2.64 A)
&rst
ixpk= 1194, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 999,1000,
&end
#
# 4 ILE HA 49 ILE HB 5.50 (# 1196:20 Unique 3.27, 3.34 A)
&rst
ixpk= 1196, nxpk= 20, iat= 45, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 PHE HA 69 PHE HB+ 5.50 (# 1197:20 Unique 2.71, 2.84 A)
&rst
ixpk= 1197, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 979, 980,
&end
#
# 69 PHE HN 69 PHE HB- 5.50 (# 1198:20 Unique 2.10, 2.60 A)
&rst
ixpk= 1198, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 979, 980,
&end
#
# 70 TYR HN 69 PHE HB- 5.50 (# 1199:20 Unique 2.06, 2.61 A)
&rst
ixpk= 1199, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 979, 980,
&end
#
# 0 AMB 20-2:1201 0 AMB 20-1:1201 3.50 (# 1201:20 Double Ambig)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2132,2133,2132,2133,2137,
igr2=2127,2128,2127,2128,
&end
#
# 144 ASN HN 0 AMB 20-1:1202 3.50 (# 1202:20 Single Ambig)
&rst
ixpk= 1202, nxpk= 20, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2127,2128,2127,2128,
&end
#
# 144 ASN HA 0 AMB 20-1:1203 3.50 (# 1203:20 Single Ambig)
&rst
ixpk= 1203, nxpk= 20, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2127,2128,2127,2128,
&end
#
# 141 SER HA 0 AMB 20-1:1204 4.50 (# 1204:20 Single Ambig)
&rst
ixpk= 1204, nxpk= 20, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2127,2128,2127,2128,
&end
#
# 111 ASN HN 111 ASN HB- 4.50 (# 1205:20 Unique 2.09, 2.62 A)
&rst
ixpk= 1205, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1628,1629,
&end
#
# 0 AMB 20-2:1206 0 AMB 20-1:1206 3.50 (# 1206:20 Double Ambig)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1626, 217,
igr2=1628,1629, 219, 220,
&end
#
# 111 ASN HN 111 ASN HB+ 4.50 (# 1207:20 Unique 2.09, 2.62 A)
&rst
ixpk= 1207, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1628,1629,
&end
#
# 0 AMB 20-2:1208 0 AMB 20-1:1208 4.50 (# 1208:20 Double Ambig)
&rst
ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 236,1633,1634,
igr2= 219, 220,1628,1629,
&end
#
# 108 GLU HA 111 ASN HB+ 4.50 (# 1209:20 Unique 2.12, 3.07 A)
&rst
ixpk= 1209, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1628,1629,
&end
#
# 0 AMB 20-2:1210 0 AMB 20-1:1210 4.50 (# 1210:20 Double Ambig)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 236,1633,1634,
igr2= 219, 220,1628,1629,
&end
#
# 112 SER HN 111 ASN HB- 5.50 (# 1211:20 Unique 3.31, 3.86 A)
&rst
ixpk= 1211, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1628,1629,
&end
#
# 108 GLU HA 111 ASN HB- 4.50 (# 1212:20 Unique 2.12, 3.07 A)
&rst
ixpk= 1212, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1628,1629,
&end
#
# 0 AMB 20-2:1213 0 AMB 20-1:1213 3.50 (# 1213:20 Double Ambig)
&rst
ixpk= 1213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1626, 217,
igr2=1628,1629, 219, 220,
&end
#
# 20 GLU HN 20 GLU HG+ 4.50 (# 1215:20 Unique 3.84, 4.17 A)
&rst
ixpk= 1215, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 269, 270,
&end
#
# 71 GLU HN 71 GLU HG+ 4.50 (# 1216:20 Unique 2.95, 3.12 A)
&rst
ixpk= 1216, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1023,1024,
&end
#
# 65 ASN HA 65 ASN HB- 4.50 (# 1217:20 Unique 2.35, 2.75 A)
&rst
ixpk= 1217, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 921, 922,
&end
#
# 65 ASN HA 65 ASN HB+ 4.50 (# 1219:20 Unique 2.35, 2.75 A)
&rst
ixpk= 1219, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 921, 922,
&end
#
# 27 GLU HA 27 GLU HG- 4.50 (# 1220:20 Unique 2.13, 2.69 A)
&rst
ixpk= 1220, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 386, 387,
&end
#
# 27 GLU HN 0 AMB 20-1:1221 4.50 (# 1221:20 Single Ambig)
&rst
ixpk= 1221, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 386, 387, 386, 387,
&end
#
# 27 GLU HN 27 GLU HG+ 4.50 (# 1222:20 Unique 2.99, 3.28 A)
&rst
ixpk= 1222, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 386, 387,
&end
#
# 27 GLU HA 27 GLU HG+ 4.50 (# 1223:20 Unique 2.13, 2.69 A)
&rst
ixpk= 1223, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 386, 387,
&end
#
# 28 GLU HN 28 GLU HG+ 4.50 (# 1225:20 Unique 2.27, 3.31 A)
&rst
ixpk= 1225, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 401, 402,
&end
#
# 108 GLU HN 108 GLU HG+ 4.50 (# 1226:20 Unique 2.56, 3.30 A)
&rst
ixpk= 1226, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1575,1576,
&end
#
# 74 GLN HE2+ 108 GLU HG+ 4.50 (# 1227:20 Unique 1.92, 3.02 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1072,1073,
igr2=1575,1576,
&end
#
# 119 GLU HA 119 GLU HG+ 3.50 (# 1228:20 Unique 3.50, 3.88 A)
&rst
ixpk= 1228, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1733,1734,
&end
#
# 74 GLN HE2+ 108 GLU HG- 5.50 (# 1229:20 Unique 1.92, 3.02 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1072,1073,
igr2=1575,1576,
&end
#
# 108 GLU HA 108 GLU HG+ 7.00 (# 1231:20 Unique 3.00, 3.34 A)
&rst
ixpk= 1231, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1575,1576,
&end
#
# 119 GLU HN 119 GLU HG+ 4.50 (# 1232:20 Unique 2.08, 3.06 A)
&rst
ixpk= 1232, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1733,1734,
&end
#
# 0 AMB 20-2:1233 0 AMB 20-1:1233 4.50 (# 1233:20 Double Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 598,1016,
igr2= 605, 606, 605, 606,1023,1024,
&end
#
# 42 GLU HN 0 AMB 20-1:1234 4.50 (# 1234:20 Single Ambig)
&rst
ixpk= 1234, nxpk= 20, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 605, 606, 605, 606,
&end
#
# 0 AMB 20-2:1235 0 AMB 20-1:1235 4.50 (# 1235:20 Double Ambig)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1504,1560,
igr2=1575,1576,1575,1576,
&end
#
# 75 GLU HN 75 GLU HG- 5.50 (# 1236:20 Unique 4.40, 4.47 A)
&rst
ixpk= 1236, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1084,1085,
&end
#
# 0 AMB 20-2:1237 0 AMB 20-1:1237 3.50 (# 1237:20 Double Ambig)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1079, 600,
igr2=1084,1085, 605, 606,
&end
#
# 0 AMB 20-2:1238 0 AMB 20-1:1238 5.50 (# 1238:20 Double Ambig)
&rst
ixpk= 1238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1077, 560,
igr2=1084,1085, 605, 606,
&end
#
# 34 GLU HA 34 GLU HG- 4.50 (# 1239:20 Unique 2.06, 2.59 A)
&rst
ixpk= 1239, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 481, 482,
&end
#
# 34 GLU HA 34 GLU HG+ 4.50 (# 1240:20 Unique 2.06, 2.59 A)
&rst
ixpk= 1240, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 481, 482,
&end
#
# 76 GLN HE2- 76 GLN HG+ 4.50 (# 1242:20 Unique 2.42, 3.08 A)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1104,1105,
igr2=1099,1100,
&end
#
# 76 GLN HN 76 GLN HG+ 4.50 (# 1243:20 Unique 1.82, 2.64 A)
&rst
ixpk= 1243, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1099,1100,
&end
#
# 76 GLN HA 76 GLN HG+ 3.50 (# 1244:20 Unique 3.55, 3.84 A)
&rst
ixpk= 1244, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1099,1100,
&end
#
# 0 AMB 20-2:1245 76 GLN HG- 4.50 (# 1245:20 Single Ambig)
&rst
ixpk= 1245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1094,1111,
igr2=1099,1100,
&end
#
# 76 GLN HE2- 76 GLN HG- 4.50 (# 1246:20 Unique 2.42, 3.08 A)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1104,1105,
igr2=1099,1100,
&end
#
# 76 GLN HN 76 GLN HG- 4.50 (# 1247:20 Unique 1.82, 2.64 A)
&rst
ixpk= 1247, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1099,1100,
&end
#
# 74 GLN HN 74 GLN HG- 4.50 (# 1248:20 Unique 2.19, 2.34 A)
&rst
ixpk= 1248, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1067,1068,
&end
#
# 0 AMB 20-2:1249 0 AMB 20-1:1249 4.50 (# 1249:20 Double Ambig)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1213,1666,
igr2=1217,1218,1670,1671,1217,1218,
&end
#
# 115 LYS HA 115 LYS HB+ 3.50 (# 1250:20 Unique 2.36, 2.45 A)
&rst
ixpk= 1250, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1670,1671,
&end
#
# 147 LYS HN 147 LYS HB+ 4.50 (# 1251:20 Unique 2.07, 2.71 A)
&rst
ixpk= 1251, nxpk= 20, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2179,2180,
&end
#
# 84 ARG HA 84 ARG HB+ 5.50 (# 1252:20 Unique 2.29, 2.46 A)
&rst
ixpk= 1252, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1217,1218,
&end
#
# 34 GLU HA 34 GLU HB- 4.50 (# 1253:20 Unique 2.75, 2.84 A)
&rst
ixpk= 1253, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 478, 479,
&end
#
# 34 GLU HA 34 GLU HB+ 4.50 (# 1254:20 Unique 2.75, 2.84 A)
&rst
ixpk= 1254, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 478, 479,
&end
#
# 0 AMB 20-2:1255 0 AMB 20-1:1255 4.50 (# 1255:20 Double Ambig)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1239, 713,
igr2= 709, 710, 709, 710,
&end
#
# 0 AMB 20-2:1256 50 TRP HB- 4.50 (# 1256:20 Single Ambig)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1239, 713,
igr2= 709, 710,
&end
#
# 52 VAL HN 52 VAL HB 4.50 (# 1257:20 Unique 3.07, 3.19 A)
&rst
ixpk= 1257, nxpk= 20, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1258 0 AMB 20-1:1258 5.50 (# 1258:20 Double Ambig)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1937,1504,
igr2=1934,1935,1506,1507,
&end
#
# 78 PRO HA 78 PRO HB- 4.50 (# 1259:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1259, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1138,1139,
&end
#
# 0 AMB 20-2:1260 0 AMB 20-1:1260 4.50 (# 1260:20 Double Ambig)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1141, 556,
igr2=1138,1139, 553, 554,
&end
#
# 119 GLU HA 119 GLU HB+ 4.50 (# 1261:20 Unique 2.27, 2.48 A)
&rst
ixpk= 1261, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1730,1731,
&end
#
# 110 LYS HA 0 AMB 20-1:1262 5.50 (# 1262:20 Single Ambig)
&rst
ixpk= 1262, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1606,1607,1606,1607,
&end
#
# 110 LYS HN 0 AMB 20-1:1263 4.50 (# 1263:20 Single Ambig)
&rst
ixpk= 1263, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1606,1607,1606,1607,
&end
#
# 110 LYS HA 0 AMB 20-1:1264 5.50 (# 1264:20 Single Ambig)
&rst
ixpk= 1264, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1606,1607,1606,1607,
&end
#
# 39 PRO HA 39 PRO HB+ 4.50 (# 1266:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1266, nxpk= 20, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 553, 554,
&end
#
# 0 AMB 20-2:1267 0 AMB 20-1:1267 5.50 (# 1267:20 Double Ambig)
&rst
ixpk= 1267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1721,1722,1111,1651,1652,2024,
igr2=1730,1731,1138,1139,1138,1139,1730,1731,
&end
#
# 0 AMB 20-2:1268 0 AMB 20-1:1268 4.50 (# 1268:20 Double Ambig)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1728,1668,
igr2=1730,1731,1606,1607,
&end
#
# 119 GLU HN 119 GLU HB- 4.50 (# 1269:20 Unique 3.51, 3.69 A)
&rst
ixpk= 1269, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1730,1731,
&end
#
# 39 PRO HA 39 PRO HB+ 4.50 (# 1270:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1270, nxpk= 20, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 553, 554,
&end
#
# 0 AMB 20-2:1271 0 AMB 20-1:1271 3.50 (# 1271:20 Double Ambig)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 679,1524,1197,
igr2=1201,1506,1507,
&end
#
# 45 PRO HA 45 PRO HB+ 4.50 (# 1273:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1273, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 651, 652,
&end
#
# 45 PRO HA 45 PRO HB- 4.50 (# 1274:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1274, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 651, 652,
&end
#
# 143 VAL HN 143 VAL HB 4.50 (# 1276:20 Unique 2.30, 2.36 A)
&rst
ixpk= 1276, nxpk= 20, iat=2107,2111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 TRP HE3 143 VAL HB 5.50 (# 1277:20 Unique 3.92, 4.23 A)
&rst
ixpk= 1277, nxpk= 20, iat=2102,2111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ALA HA 75 GLU HB- 4.50 (# 1278:20 Unique 1.95, 2.36 A)
&rst
ixpk= 1278, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1081,1082,
&end
#
# 6 LEU HA 6 LEU HG 4.50 (# 1280:20 Unique 3.65, 3.66 A)
&rst
ixpk= 1280, nxpk= 20, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 GLN HN 75 GLU HB- 4.50 (# 1281:20 Unique 2.45, 3.15 A)
&rst
ixpk= 1281, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1081,1082,
&end
#
# 75 GLU HN 75 GLU HB- 4.50 (# 1282:20 Unique 2.43, 2.59 A)
&rst
ixpk= 1282, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1081,1082,
&end
#
# 76 GLN HN 75 GLU HB+ 5.50 (# 1283:20 Unique 2.45, 3.15 A)
&rst
ixpk= 1283, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1081,1082,
&end
#
# 75 GLU HN 75 GLU HB+ 3.50 (# 1284:20 Unique 2.43, 2.59 A)
&rst
ixpk= 1284, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1081,1082,
&end
#
# 72 ALA HA 75 GLU HB+ 4.50 (# 1285:20 Unique 1.95, 2.36 A)
&rst
ixpk= 1285, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1081,1082,
&end
#
# 0 AMB 20-2:1286 0 AMB 20-1:1286 3.50 (# 1286:20 Double Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 340,1079,
igr2= 342, 343,1081,1082,
&end
#
# 18 VAL HN 18 VAL HB 5.50 (# 1287:20 Unique 2.55, 2.63 A)
&rst
ixpk= 1287, nxpk= 20, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 PRO HA 68 PRO HB+ 4.50 (# 1288:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1288, nxpk= 20, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 968, 969,
&end
#
# 138 TRP HA 138 TRP HB+ 4.50 (# 1289:20 Unique 2.62, 2.84 A)
&rst
ixpk= 1289, nxpk= 20, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2026,2027,
&end
#
# 77 LYS HA 77 LYS HB+ 4.50 (# 1290:20 Unique 2.61, 2.81 A)
&rst
ixpk= 1290, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1113,1114,
&end
#
# 138 TRP HN 138 TRP HB+ 5.50 (# 1291:20 Unique 2.08, 2.73 A)
&rst
ixpk= 1291, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2026,2027,
&end
#
# 103 ASP HA 106 GLU HB+ 4.50 (# 1292:20 Unique 3.36, 4.56 A)
&rst
ixpk= 1292, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1547,1548,
&end
#
# 106 GLU HN 106 GLU HB+ 4.50 (# 1293:20 Unique 2.16, 3.02 A)
&rst
ixpk= 1293, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1547,1548,
&end
#
# 107 ALA HN 106 GLU HB+ 4.50 (# 1294:20 Unique 2.78, 3.28 A)
&rst
ixpk= 1294, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1547,1548,
&end
#
# 0 AMB 20-2:1295 0 AMB 20-1:1295 5.50 (# 1295:20 Double Ambig)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1700,1701,1060,
igr2=1341,1342,1064,1065,
&end
#
# 74 GLN HN 74 GLN HB- 4.50 (# 1296:20 Unique 2.74, 3.18 A)
&rst
ixpk= 1296, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1064,1065,
&end
#
# 94 GLU HN 93 ARG HB- 5.50 (# 1297:20 Unique 1.93, 3.27 A)
&rst
ixpk= 1297, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1341,1342,
&end
#
# 0 AMB 20-2:1298 0 AMB 20-1:1298 3.50 (# 1298:20 Double Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2007,2022,
igr2=2011,2012,2011,2012,
&end
#
# 21 HIS HA 24 GLU HB- 4.50 (# 1299:20 Unique 2.73, 3.17 A)
&rst
ixpk= 1299, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 327, 328,
&end
#
# 28 GLU HN 28 GLU HB- 4.50 (# 1300:20 Unique 2.21, 2.94 A)
&rst
ixpk= 1300, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 398, 399,
&end
#
# 25 LYS HN 24 GLU HB- 4.50 (# 1301:20 Unique 2.01, 2.82 A)
&rst
ixpk= 1301, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 327, 328,
&end
#
# 28 GLU HN 28 GLU HB+ 3.50 (# 1302:20 Unique 2.21, 2.94 A)
&rst
ixpk= 1302, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 398, 399,
&end
#
# 137 GLU HA 137 GLU HB+ 2.80 (# 1303:20 Unique 2.82, 2.85 A)
&rst
ixpk= 1303, nxpk= 20, iat=2009, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2011,2012,
&end
#
# 24 GLU HN 24 GLU HB+ 4.50 (# 1304:20 Unique 2.27, 2.53 A)
&rst
ixpk= 1304, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 327, 328,
&end
#
# 25 LYS HN 24 GLU HB+ 5.50 (# 1305:20 Unique 2.01, 2.82 A)
&rst
ixpk= 1305, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 327, 328,
&end
#
# 108 GLU HN 108 GLU HB- 5.50 (# 1306:20 Unique 2.26, 2.93 A)
&rst
ixpk= 1306, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1572,1573,
&end
#
# 108 GLU HA 108 GLU HB- 4.50 (# 1307:20 Unique 2.54, 2.79 A)
&rst
ixpk= 1307, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1572,1573,
&end
#
# 108 GLU HN 108 GLU HB+ 4.50 (# 1308:20 Unique 2.26, 2.93 A)
&rst
ixpk= 1308, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1572,1573,
&end
#
# 108 GLU HA 108 GLU HB+ 5.50 (# 1309:20 Unique 2.54, 2.79 A)
&rst
ixpk= 1309, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1572,1573,
&end
#
# 28 GLU HN 28 GLU HB- 4.50 (# 1310:20 Unique 2.21, 2.94 A)
&rst
ixpk= 1310, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 398, 399,
&end
#
# 24 GLU HN 24 GLU HB- 4.50 (# 1311:20 Unique 2.27, 2.53 A)
&rst
ixpk= 1311, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 327, 328,
&end
#
# 72 ALA HN 71 GLU HB+ 4.50 (# 1312:20 Unique 2.45, 2.81 A)
&rst
ixpk= 1312, nxpk= 20, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1020,1021,
&end
#
# 68 PRO HA 71 GLU HB+ 4.50 (# 1313:20 Unique 2.37, 3.14 A)
&rst
ixpk= 1313, nxpk= 20, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1020,1021,
&end
#
# 71 GLU HN 71 GLU HB+ 3.50 (# 1314:20 Unique 2.24, 2.90 A)
&rst
ixpk= 1314, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1020,1021,
&end
#
# 21 HIS HN 21 HIS HB- 7.00 (# 1315:20 Unique 2.41, 2.53 A)
&rst
ixpk= 1315, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 281, 282,
&end
#
# 76 GLN HN 76 GLN HB+ 5.50 (# 1316:20 Unique 2.98, 3.30 A)
&rst
ixpk= 1316, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1096,1097,
&end
#
# 6 LEU HA 6 LEU MDX 5.50 (# 1317:20 Unique 2.23, 3.06 A)
&rst
ixpk= 1317, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:1318 0 AMB 20-1:1318 3.50 (# 1318:20 Double Ambig)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 600,1094,
igr2= 602, 603,1096,1097,
&end
#
# 42 GLU HN 42 GLU HB+ 4.50 (# 1319:20 Unique 3.73, 3.90 A)
&rst
ixpk= 1319, nxpk= 20, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 602, 603,
&end
#
# 76 GLN HN 76 GLN HB- 5.50 (# 1320:20 Unique 2.98, 3.30 A)
&rst
ixpk= 1320, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1096,1097,
&end
#
# 76 GLN HA 76 GLN HB- 4.50 (# 1321:20 Unique 2.35, 2.45 A)
&rst
ixpk= 1321, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1096,1097,
&end
#
# 112 SER HA 77 LYS HD+ 5.50 (# 1322:20 Unique 4.07, 4.49 A)
&rst
ixpk= 1322, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1119,1120,
&end
#
# 0 AMB 20-2:1323 116 GLN HB- 5.50 (# 1323:20 Single Ambig)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1247,1251,1245,1253,1688,
igr2=1692,1693,
&end
#
# 27 GLU HN 27 GLU HB- 5.50 (# 1324:20 Unique 2.19, 2.86 A)
&rst
ixpk= 1324, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 383, 384,
&end
#
# 27 GLU HA 27 GLU HB- 4.50 (# 1325:20 Unique 2.63, 2.82 A)
&rst
ixpk= 1325, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 383, 384,
&end
#
# 28 GLU HN 0 AMB 20-1:1326 4.50 (# 1326:20 Single Ambig)
&rst
ixpk= 1326, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 383, 384, 383, 384,
&end
#
# 27 GLU HN 27 GLU HB+ 4.50 (# 1327:20 Unique 2.19, 2.86 A)
&rst
ixpk= 1327, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 383, 384,
&end
#
# 116 GLN HN 116 GLN HB+ 4.50 (# 1328:20 Unique 2.35, 2.53 A)
&rst
ixpk= 1328, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1692,1693,
&end
#
# 27 GLU HA 0 AMB 20-1:1329 4.50 (# 1329:20 Single Ambig)
&rst
ixpk= 1329, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 383, 384, 383, 384,
&end
#
# 143 VAL HN 142 TRP HB+ 5.50 (# 1330:20 Unique 2.37, 3.18 A)
&rst
ixpk= 1330, nxpk= 20, iat=2107, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2087,2088,
&end
#
# 142 TRP HE3 142 TRP HB+ 5.50 (# 1331:20 Unique 2.41, 3.18 A)
&rst
ixpk= 1331, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2087,2088,
&end
#
# 142 TRP HN 142 TRP HB- 4.50 (# 1332:20 Unique 2.29, 2.54 A)
&rst
ixpk= 1332, nxpk= 20, iat=2083, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2087,2088,
&end
#
# 40 LEU HN 40 LEU HG 4.50 (# 1334:20 Unique 3.39, 3.44 A)
&rst
ixpk= 1334, nxpk= 20, iat= 560, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 LYS HA 110 LYS HG+ 5.50 (# 1335:20 Unique 2.81, 2.94 A)
&rst
ixpk= 1335, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1609,1610,
&end
#
# 36 LEU HA 36 LEU MDX 4.50 (# 1337:20 Unique 3.09, 4.40 A)
&rst
ixpk= 1337, nxpk= 20, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 145 LEU HA 145 LEU HG 5.50 (# 1338:20 Unique 2.25, 2.40 A)
&rst
ixpk= 1338, nxpk= 20, iat=2139,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1339 0 AMB 20-1:1339 5.50 (# 1339:20 Double Ambig)
&rst
ixpk= 1339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 977,1721,1722,
igr2=1533,1534,1535,1537,1538,1539,2144,
&end
#
# 0 AMB 20-2:1340 73 LEU MDY 7.00 (# 1340:20 Single Ambig)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1=1104,1105,1003,1012,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:1342 40 LEU MDX 5.50 (# 1342:20 Single Ambig)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 562, 615,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 0 AMB 20-2:1343 121 LEU HG 5.50 (# 1343:20 Single Ambig)
&rst
ixpk= 1343, nxpk= 20, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2024,1721,1722,
&end
#
# 5 THR HA 6 LEU MDY 5.50 (# 1344:20 Unique 3.47, 5.69 A)
&rst
ixpk= 1344, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 142 TRP HE3 139 LEU MDX 4.50 (# 1345:20 Unique 2.20, 4.90 A)
&rst
ixpk= 1345, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 12 LEU HA 12 LEU MDX 5.50 (# 1350:20 Unique 2.10, 3.75 A)
&rst
ixpk= 1350, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 115 LYS HA 115 LYS HG- 5.50 (# 1351:20 Unique 3.58, 3.75 A)
&rst
ixpk= 1351, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1673,1674,
&end
#
# 115 LYS HA 115 LYS HG+ 5.50 (# 1353:20 Unique 3.58, 3.75 A)
&rst
ixpk= 1353, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1673,1674,
&end
#
# 0 AMB 20-2:1354 109 LEU MDX 5.50 (# 1354:20 Single Ambig)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1239,1104,1105,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 77 LYS HA 77 LYS HG+ 5.50 (# 1357:20 Unique 2.15, 2.78 A)
&rst
ixpk= 1357, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1116,1117,
&end
#
# 77 LYS HA 77 LYS HG+ 5.50 (# 1358:20 Unique 2.15, 2.78 A)
&rst
ixpk= 1358, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1116,1117,
&end
#
# 0 AMB 20-2:1359 73 LEU MDX 5.50 (# 1359:20 Single Ambig)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1104,1105,1003,1012,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 146 LEU HN 146 LEU MDY 4.50 (# 1360:20 Unique 1.95, 4.42 A)
&rst
ixpk= 1360, nxpk= 20, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 70 TYR HD 105 LEU MDY 4.50 (# 1363:20 Unique 4.37, 7.31 A)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1003,1012,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 25 LYS HN 25 LYS HG+ 5.50 (# 1364:20 Unique 1.99, 2.77 A)
&rst
ixpk= 1364, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 345, 346,
&end
#
# 44 LEU HA 44 LEU MDX 4.50 (# 1366:20 Unique 2.00, 3.65 A)
&rst
ixpk= 1366, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 12 LEU HA 12 LEU MDY 4.50 (# 1367:20 Unique 2.10, 3.75 A)
&rst
ixpk= 1367, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 36 LEU HA 36 LEU MDY 3.50 (# 1369:20 Unique 3.09, 4.40 A)
&rst
ixpk= 1369, nxpk= 20, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 26 LEU HA 26 LEU MDX 3.50 (# 1371:20 Unique 1.99, 3.10 A)
&rst
ixpk= 1371, nxpk= 20, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:1372 120 THR MG2 4.50 (# 1372:20 Single Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1755,1361,
igr2=1747,1748,1749,
&end
#
# 0 AMB 20-2:1374 0 AMB 20-1:1374 4.50 (# 1374:20 Double Ambig)
&rst
ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2102,2156,
igr2= 369, 370, 371, 373, 374, 375,1711,1712,1713,
&end
#
# 120 THR HA 120 THR MG2 3.50 (# 1375:20 Unique 2.47, 3.66 A)
&rst
ixpk= 1375, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1747,1748,1749,
&end
#
# 0 AMB 20-2:1376 0 AMB 20-1:1376 7.00 (# 1376:20 Double Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.12, r4=12.62,
igr1=1321,1322,1798,
igr2=1747,1748,1749, 242, 243, 244, 246, 247, 248,
&end
#
# 33 THR HA 33 THR MG2 4.50 (# 1377:20 Unique 2.57, 3.28 A)
&rst
ixpk= 1377, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 466, 467, 468,
&end
#
# 18 VAL HN 18 VAL MGX 4.50 (# 1378:20 Unique 2.16, 3.86 A)
&rst
ixpk= 1378, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 120 THR HA 120 THR MG2 3.50 (# 1379:20 Unique 2.47, 3.66 A)
&rst
ixpk= 1379, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1747,1748,1749,
&end
#
# 32 THR HN 32 THR MG2 4.50 (# 1380:20 Unique 3.07, 3.81 A)
&rst
ixpk= 1380, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 452, 453, 454,
&end
#
# 0 AMB 20-2:1381 33 THR MG2 5.50 (# 1381:20 Single Ambig)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 474, 394, 426,
igr2= 466, 467, 468,
&end
#
# 33 THR HN 33 THR MG2 4.50 (# 1382:20 Unique 3.01, 3.54 A)
&rst
ixpk= 1382, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 466, 467, 468,
&end
#
# 118 GLY HN 117 THR MG2 5.50 (# 1383:20 Unique 2.13, 3.39 A)
&rst
ixpk= 1383, nxpk= 20, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1711,1712,1713,
&end
#
# 33 THR HN 32 THR MG2 5.50 (# 1385:20 Unique 3.72, 4.43 A)
&rst
ixpk= 1385, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 452, 453, 454,
&end
#
# 0 AMB 20-2:1386 32 THR MG2 7.00 (# 1386:20 Single Ambig)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 428, 381,
igr2= 452, 453, 454,
&end
#
# 32 THR HA 32 THR MG2 3.50 (# 1387:20 Unique 2.32, 2.94 A)
&rst
ixpk= 1387, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 452, 453, 454,
&end
#
# 32 THR HB 32 THR MG2 3.50 (# 1388:20 Unique 2.41, 2.64 A)
&rst
ixpk= 1388, nxpk= 20, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 452, 453, 454,
&end
#
# 40 LEU HA 40 LEU MDY 3.50 (# 1389:20 Unique 2.35, 3.70 A)
&rst
ixpk= 1389, nxpk= 20, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 52 VAL HN 51 LEU MDY 5.50 (# 1390:20 Unique 3.59, 5.43 A)
&rst
ixpk= 1390, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 51 LEU HA 51 LEU MDY 4.50 (# 1395:20 Unique 1.93, 3.73 A)
&rst
ixpk= 1395, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 143 VAL HN 143 VAL MGY 4.50 (# 1396:20 Unique 2.32, 3.89 A)
&rst
ixpk= 1396, nxpk= 20, iat=2107, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 142 TRP HE3 143 VAL MGY 4.50 (# 1397:20 Unique 1.99, 4.45 A)
&rst
ixpk= 1397, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 87 ALA HN 87 ALA MB 5.50 (# 1398:20 Unique 2.19, 2.95 A)
&rst
ixpk= 1398, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1268,1269,1270,
&end
#
# 87 ALA HA 87 ALA MB 4.50 (# 1400:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1400, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1268,1269,1270,
&end
#
# 11 THR HA 11 THR MG2 4.50 (# 1401:20 Unique 2.23, 3.73 A)
&rst
ixpk= 1401, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 149, 150, 151,
&end
#
# 56 THR HA 56 THR MG2 4.50 (# 1402:20 Unique 2.35, 3.10 A)
&rst
ixpk= 1402, nxpk= 20, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 811, 812, 813,
&end
#
# 0 AMB 20-2:1403 0 AMB 20-1:1403 5.50 (# 1403:20 Double Ambig)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1774, 252,2083,
igr2=1764,1765,1766,1768,1769,1770, 303, 304, 305, 307,
308, 309,2146,2147,2148,2150,2151,2152,
&end
#
# 0 AMB 20-2:1404 0 AMB 20-1:1404 5.50 (# 1404:20 Double Ambig)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2137,1656,
igr2=2146,2147,2148,2150,2151,2152,1166,1167,1168,1170,
1171,1172,
&end
#
# 0 AMB 20-2:1405 0 AMB 20-1:1405 3.50 (# 1405:20 Double Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2139,1651,1652,1798,
igr2=2146,2147,2148,2150,2151,2152,1166,1167,1168,1170,
1171,1172,1764,1765,1766,1768,1769,1770,
&end
#
# 88 ILE HN 87 ALA MB 5.50 (# 1406:20 Unique 2.99, 3.84 A)
&rst
ixpk= 1406, nxpk= 20, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1268,1269,1270,
&end
#
# 120 THR HA 87 ALA MB 5.50 (# 1407:20 Unique 2.29, 3.67 A)
&rst
ixpk= 1407, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1268,1269,1270,
&end
#
# 143 VAL HN 143 VAL MGX 4.50 (# 1409:20 Unique 2.32, 3.89 A)
&rst
ixpk= 1409, nxpk= 20, iat=2107, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 142 TRP HE3 143 VAL MGX 5.50 (# 1410:20 Unique 1.99, 4.45 A)
&rst
ixpk= 1410, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 144 ASN HN 143 VAL MGX 5.50 (# 1411:20 Unique 2.76, 4.18 A)
&rst
ixpk= 1411, nxpk= 20, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 144 ASN HD2- 143 VAL MGY 7.00 (# 1412:20 Unique 4.63, 6.65 A)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2132,2133,
igr2=2113,2114,2115,2117,2118,2119,
&end
#
# 0 AMB 20-2:1413 0 AMB 20-1:1413 3.50 (# 1413:20 Double Ambig)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1413, 809,
igr2=1415,1416,1417, 811, 812, 813,
&end
#
# 36 LEU HN 35 THR MG2 5.50 (# 1414:20 Unique 2.33, 3.40 A)
&rst
ixpk= 1414, nxpk= 20, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 495, 496, 497,
&end
#
# 35 THR HA 35 THR MG2 3.50 (# 1415:20 Unique 2.12, 2.94 A)
&rst
ixpk= 1415, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 495, 496, 497,
&end
#
# 97 THR HA 97 THR MG2 4.50 (# 1416:20 Unique 2.14, 3.27 A)
&rst
ixpk= 1416, nxpk= 20, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1415,1416,1417,
&end
#
# 0 AMB 20-2:1417 5 THR MG2 3.50 (# 1417:20 Single Ambig)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 64, 45,
igr2= 68, 69, 70,
&end
#
# 0 AMB 20-2:1418 80 LEU MDX 5.50 (# 1418:20 Single Ambig)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 713,1104,1105,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:1419 80 LEU MDX 4.50 (# 1419:20 Single Ambig)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1642,1643, 660,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 114 ALA HN 80 LEU MDX 7.00 (# 1420:20 Unique 3.11, 4.92 A)
&rst
ixpk= 1420, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 80 LEU HA 80 LEU MDX 3.50 (# 1421:20 Unique 1.91, 3.41 A)
&rst
ixpk= 1421, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:1422 0 AMB 20-1:1422 5.50 (# 1422:20 Double Ambig)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 62, 764,
igr2= 68, 69, 70, 754, 755, 756, 758, 759, 760,
&end
#
# 50 TRP HD1 5 THR MG2 4.50 (# 1423:20 Unique 2.63, 3.48 A)
&rst
ixpk= 1423, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 68, 69, 70,
&end
#
# 52 VAL HA 52 VAL MGY 4.50 (# 1424:20 Unique 2.37, 3.52 A)
&rst
ixpk= 1424, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 85 PHE HA 52 VAL MGX 4.50 (# 1425:20 Unique 4.71, 7.10 A)
&rst
ixpk= 1425, nxpk= 20, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 52 VAL HN 52 VAL MGX 4.50 (# 1426:20 Unique 2.29, 3.76 A)
&rst
ixpk= 1426, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 52 VAL HA 52 VAL MGX 4.50 (# 1427:20 Unique 2.37, 3.52 A)
&rst
ixpk= 1427, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 114 ALA HN 83 VAL MGX 7.00 (# 1428:20 Unique 4.83, 6.51 A)
&rst
ixpk= 1428, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:1429 83 VAL MGX 4.50 (# 1429:20 Single Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1197, 679,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:1430 83 VAL MGX 4.50 (# 1430:20 Single Ambig)
&rst
ixpk= 1430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1159, 681, 682,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 83 VAL HA 83 VAL MGX 3.50 (# 1431:20 Unique 2.33, 3.50 A)
&rst
ixpk= 1431, nxpk= 20, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 146 LEU HN 146 LEU MDX 4.50 (# 1432:20 Unique 1.95, 4.42 A)
&rst
ixpk= 1432, nxpk= 20, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 20-2:1433 72 ALA MB 5.50 (# 1433:20 Single Ambig)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1016, 579,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:1434 72 ALA MB 3.50 (# 1434:20 Single Ambig)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1031,1041,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:1435 72 ALA MB 3.50 (# 1435:20 Single Ambig)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1033, 977,
igr2=1035,1036,1037,
&end
#
# 34 GLU HN 2 ALA MB 5.50 (# 1436:20 Unique 3.09, 3.62 A)
&rst
ixpk= 1436, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 25, 26, 27,
&end
#
# 33 THR HA 2 ALA MB 4.50 (# 1437:20 Unique 2.24, 3.17 A)
&rst
ixpk= 1437, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 25, 26, 27,
&end
#
# 3 ASP HN 2 ALA MB 4.50 (# 1439:20 Unique 2.17, 2.94 A)
&rst
ixpk= 1439, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 25, 26, 27,
&end
#
# 4 ILE HN 2 ALA MB 4.50 (# 1440:20 Unique 2.23, 3.35 A)
&rst
ixpk= 1440, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 25, 26, 27,
&end
#
# 32 THR HB 2 ALA MB 4.50 (# 1442:20 Unique 2.02, 3.16 A)
&rst
ixpk= 1442, nxpk= 20, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 25, 26, 27,
&end
#
# 49 ILE HA 49 ILE MG2 4.50 (# 1444:20 Unique 2.09, 2.94 A)
&rst
ixpk= 1444, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 692, 693, 694,
&end
#
# 4 ILE HA 49 ILE MG2 5.50 (# 1446:20 Unique 5.12, 5.78 A)
&rst
ixpk= 1446, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 692, 693, 694,
&end
#
# 115 LYS HN 114 ALA MB 4.50 (# 1447:20 Unique 2.58, 3.46 A)
&rst
ixpk= 1447, nxpk= 20, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1660,1661,1662,
&end
#
# 114 ALA HN 114 ALA MB 3.50 (# 1448:20 Unique 2.20, 2.90 A)
&rst
ixpk= 1448, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1660,1661,1662,
&end
#
# 114 ALA HA 114 ALA MB 3.50 (# 1450:20 Unique 2.28, 2.63 A)
&rst
ixpk= 1450, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1660,1661,1662,
&end
#
# 0 AMB 20-2:1451 83 VAL MGY 5.50 (# 1451:20 Single Ambig)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1197, 679,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 83 VAL HA 83 VAL MGY 4.50 (# 1452:20 Unique 2.33, 3.50 A)
&rst
ixpk= 1452, nxpk= 20, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 84 ARG HN 83 VAL MGY 4.50 (# 1453:20 Unique 1.86, 3.82 A)
&rst
ixpk= 1453, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 50 TRP HD1 83 VAL MGY 4.50 (# 1456:20 Unique 2.14, 3.81 A)
&rst
ixpk= 1456, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 31 PHE HN 29 ALA MB 5.50 (# 1457:20 Unique 3.05, 4.07 A)
&rst
ixpk= 1457, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 413, 414, 415,
&end
#
# 142 TRP HE3 29 ALA MB 5.50 (# 1458:20 Unique 5.04, 5.56 A)
&rst
ixpk= 1458, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 413, 414, 415,
&end
#
# 90 ILE HA 90 ILE MG2 4.50 (# 1459:20 Unique 2.14, 2.95 A)
&rst
ixpk= 1459, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1306,1307,1308,
&end
#
# 29 ALA HN 29 ALA MB 3.50 (# 1460:20 Unique 2.22, 2.88 A)
&rst
ixpk= 1460, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 413, 414, 415,
&end
#
# 29 ALA HA 29 ALA MB 3.50 (# 1462:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1462, nxpk= 20, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 413, 414, 415,
&end
#
# 26 LEU HA 29 ALA MB 4.50 (# 1464:20 Unique 2.52, 3.55 A)
&rst
ixpk= 1464, nxpk= 20, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 413, 414, 415,
&end
#
# 91 GLY HN 90 ILE MG2 5.50 (# 1466:20 Unique 1.95, 3.25 A)
&rst
ixpk= 1466, nxpk= 20, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1306,1307,1308,
&end
#
# 82 ALA HN 82 ALA MB 3.50 (# 1467:20 Unique 2.35, 3.12 A)
&rst
ixpk= 1467, nxpk= 20, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1191,1192,1193,
&end
#
# 0 AMB 20-2:1468 82 ALA MB 5.50 (# 1468:20 Single Ambig)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1197, 679,
igr2=1191,1192,1193,
&end
#
# 82 ALA HA 82 ALA MB 3.50 (# 1469:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1469, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1191,1192,1193,
&end
#
# 47 SER HA 82 ALA MB 3.50 (# 1470:20 Unique 2.25, 3.77 A)
&rst
ixpk= 1470, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1191,1192,1193,
&end
#
# 91 GLY HA+ 130 ILE MG2 4.50 (# 1471:20 Unique 2.66, 5.04 A)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1321,1322,
igr2=1914,1915,1916,
&end
#
# 108 GLU HN 107 ALA MB 4.50 (# 1472:20 Unique 2.65, 3.21 A)
&rst
ixpk= 1472, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1562,1563,1564,
&end
#
# 107 ALA HN 107 ALA MB 3.50 (# 1473:20 Unique 2.07, 2.87 A)
&rst
ixpk= 1473, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1562,1563,1564,
&end
#
# 0 AMB 20-2:1474 107 ALA MB 2.80 (# 1474:20 Single Ambig)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1504,1560,
igr2=1562,1563,1564,
&end
#
# 0 AMB 20-2:1475 19 ALA MB 3.50 (# 1475:20 Single Ambig)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 262, 252,
igr2= 256, 257, 258,
&end
#
# 0 AMB 20-2:1476 130 ILE MG2 4.50 (# 1476:20 Single Ambig)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1321,1322,1910,
igr2=1914,1915,1916,
&end
#
# 46 ALA HN 46 ALA MB 3.50 (# 1477:20 Unique 2.23, 2.94 A)
&rst
ixpk= 1477, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 662, 663, 664,
&end
#
# 80 LEU HA 46 ALA MB 4.50 (# 1478:20 Unique 2.19, 3.44 A)
&rst
ixpk= 1478, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 662, 663, 664,
&end
#
# 46 ALA HA 46 ALA MB 3.50 (# 1479:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1479, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 662, 663, 664,
&end
#
# 23 ALA HN 23 ALA MB 3.50 (# 1480:20 Unique 2.14, 2.88 A)
&rst
ixpk= 1480, nxpk= 20, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 317, 318, 319,
&end
#
# 24 GLU HN 23 ALA MB 4.50 (# 1481:20 Unique 2.50, 3.35 A)
&rst
ixpk= 1481, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 317, 318, 319,
&end
#
# 53 ILE HA 53 ILE MG2 4.50 (# 1483:20 Unique 2.23, 2.97 A)
&rst
ixpk= 1483, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 770, 771, 772,
&end
#
# 5 THR HN 4 ILE MG2 4.50 (# 1484:20 Unique 2.32, 3.10 A)
&rst
ixpk= 1484, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 49, 50, 51,
&end
#
# 4 ILE HA 4 ILE MG2 4.50 (# 1486:20 Unique 2.47, 3.16 A)
&rst
ixpk= 1486, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 49, 50, 51,
&end
#
# 123 ILE HA 123 ILE MG2 4.50 (# 1488:20 Unique 2.26, 2.93 A)
&rst
ixpk= 1488, nxpk= 20, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1802,1803,1804,
&end
#
# 7 ILE HA 7 ILE MG2 5.50 (# 1489:20 Unique 2.22, 2.90 A)
&rst
ixpk= 1489, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 101, 102, 103,
&end
#
# 88 ILE HA 88 ILE MG2 5.50 (# 1492:20 Unique 2.29, 3.05 A)
&rst
ixpk= 1492, nxpk= 20, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1280,1281,1282,
&end
#
# 0 AMB 20-2:1493 7 ILE MD1 5.50 (# 1493:20 Single Ambig)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 713,1239,1104,1105,
igr2= 108, 109, 110,
&end
#
# 49 ILE HA 49 ILE MD1 5.50 (# 1496:20 Unique 2.03, 3.12 A)
&rst
ixpk= 1496, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 699, 700, 701,
&end
#
# 123 ILE HA 123 ILE MD1 5.50 (# 1499:20 Unique 3.88, 4.54 A)
&rst
ixpk= 1499, nxpk= 20, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1809,1810,1811,
&end
#
# 34 GLU HN 33 THR HB 4.50 (# 1501:20 Unique 2.74, 2.77 A)
&rst
ixpk= 1501, nxpk= 20, iat= 474, 464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 THR HN 32 THR HB 4.50 (# 1502:20 Unique 2.81, 2.83 A)
&rst
ixpk= 1502, nxpk= 20, iat= 460, 450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HN 5 THR HB 5.50 (# 1503:20 Unique 2.82, 2.84 A)
&rst
ixpk= 1503, nxpk= 20, iat= 62, 66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 THR HN 120 THR HB 4.50 (# 1504:20 Unique 2.27, 2.51 A)
&rst
ixpk= 1504, nxpk= 20, iat=1741,1745, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 THR HN 35 THR HB 4.50 (# 1505:20 Unique 2.67, 2.81 A)
&rst
ixpk= 1505, nxpk= 20, iat= 489, 493, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1506 0 AMB 20-1:1506 4.50 (# 1506:20 Double Ambig)
&rst
ixpk= 1506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 679,1524,
igr2= 672, 673,1330,1331,
&end
#
# 0 AMB 20-2:1507 0 AMB 20-1:1507 7.00 (# 1507:20 Double Ambig)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 668,1558,
igr2= 672, 673,1330,1331,
&end
#
# 0 AMB 20-2:1508 0 AMB 20-1:1508 5.50 (# 1508:20 Double Ambig)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 679,1197,
igr2= 672, 673, 672, 673,
&end
#
# 112 SER HN 112 SER HB+ 5.50 (# 1509:20 Unique 2.32, 2.99 A)
&rst
ixpk= 1509, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1642,1643,
&end
#
# 112 SER HN 112 SER HB- 4.50 (# 1510:20 Unique 2.32, 2.99 A)
&rst
ixpk= 1510, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1642,1643,
&end
#
# 121 LEU HN 120 THR HA 3.50 (# 1512:20 Unique 2.14, 2.17 A)
&rst
ixpk= 1512, nxpk= 20, iat=1755,1743, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 GLU HN 131 PRO HA 4.50 (# 1513:20 Unique 3.51, 3.56 A)
&rst
ixpk= 1513, nxpk= 20, iat=1941,1937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 LEU HN 39 PRO HA 3.50 (# 1514:20 Unique 3.57, 3.57 A)
&rst
ixpk= 1514, nxpk= 20, iat= 560, 556, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 SER HN 81 SER HB- 5.50 (# 1515:20 Unique 2.18, 2.60 A)
&rst
ixpk= 1515, nxpk= 20, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1180,1181,
&end
#
# 141 SER HN 141 SER HB- 4.50 (# 1516:20 Unique 2.10, 2.58 A)
&rst
ixpk= 1516, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2076,2077,
&end
#
# 141 SER HN 141 SER HB+ 4.50 (# 1517:20 Unique 2.10, 2.58 A)
&rst
ixpk= 1517, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2076,2077,
&end
#
# 142 TRP HN 142 TRP HA 4.50 (# 1518:20 Unique 2.73, 2.75 A)
&rst
ixpk= 1518, nxpk= 20, iat=2083,2085, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 ASP HN 78 PRO HA 3.50 (# 1519:20 Unique 2.56, 2.61 A)
&rst
ixpk= 1519, nxpk= 20, iat=1145,1141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 GLY HN 117 THR HA 3.50 (# 1520:20 Unique 2.15, 2.18 A)
&rst
ixpk= 1520, nxpk= 20, iat=1719,1707, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1521 83 VAL HA 4.50 (# 1521:20 Single Ambig)
&rst
ixpk= 1521, nxpk= 20, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 679,1197,
&end
#
# 84 ARG HN 83 VAL HA 3.50 (# 1522:20 Unique 2.22, 2.24 A)
&rst
ixpk= 1522, nxpk= 20, iat=1213,1199, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 ILE HN 52 VAL HA 4.50 (# 1523:20 Unique 2.20, 2.22 A)
&rst
ixpk= 1523, nxpk= 20, iat= 764, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ILE HN 52 VAL HA 4.50 (# 1524:20 Unique 2.52, 2.65 A)
&rst
ixpk= 1524, nxpk= 20, iat= 95, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 TRP HN 138 TRP HA 4.50 (# 1525:20 Unique 2.74, 2.74 A)
&rst
ixpk= 1525, nxpk= 20, iat=2022,2024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 SER HN 0 AMB 20-1:1526 4.50 (# 1526:20 Single Ambig)
&rst
ixpk= 1526, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 954, 955, 954, 955,
&end
#
# 67 SER HN 0 AMB 20-1:1527 4.50 (# 1527:20 Single Ambig)
&rst
ixpk= 1527, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 954, 955, 954, 955,
&end
#
# 70 TYR HD 70 TYR HA 4.50 (# 1528:20 Unique 3.10, 3.93 A)
&rst
ixpk= 1528, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1003,1012,
&end
#
# 124 ASN HN 123 ILE HA 4.50 (# 1529:20 Unique 2.14, 2.18 A)
&rst
ixpk= 1529, nxpk= 20, iat=1815,1798, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 SER HN 141 SER HA 4.50 (# 1530:20 Unique 2.75, 2.75 A)
&rst
ixpk= 1530, nxpk= 20, iat=2072,2074, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 SER HN 7 ILE HA 4.50 (# 1531:20 Unique 2.16, 2.16 A)
&rst
ixpk= 1531, nxpk= 20, iat= 114, 97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 GLU HN 106 GLU HA 5.50 (# 1532:20 Unique 2.76, 2.77 A)
&rst
ixpk= 1532, nxpk= 20, iat=1543,1545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 LYS HN 110 LYS HA 5.50 (# 1533:20 Unique 2.87, 2.88 A)
&rst
ixpk= 1533, nxpk= 20, iat=1602,1604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LYS HN 104 LYS HA 5.50 (# 1534:20 Unique 2.70, 2.75 A)
&rst
ixpk= 1534, nxpk= 20, iat=1502,1504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU HN 24 GLU HA 4.50 (# 1535:20 Unique 2.77, 2.78 A)
&rst
ixpk= 1535, nxpk= 20, iat= 323, 325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1536 137 GLU HA 4.50 (# 1536:20 Single Ambig)
&rst
ixpk= 1536, nxpk= 20, iat= -1,2009, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2007,2022,
&end
#
# 28 GLU HN 28 GLU HA 4.50 (# 1537:20 Unique 2.82, 2.84 A)
&rst
ixpk= 1537, nxpk= 20, iat= 394, 396, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 GLU HN 71 GLU HA 5.50 (# 1538:20 Unique 2.76, 2.77 A)
&rst
ixpk= 1538, nxpk= 20, iat=1016,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HN 28 GLU HA 5.50 (# 1539:20 Unique 3.34, 3.37 A)
&rst
ixpk= 1539, nxpk= 20, iat= 409, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 HIS HN 21 HIS HA 5.50 (# 1540:20 Unique 2.78, 2.78 A)
&rst
ixpk= 1540, nxpk= 20, iat= 277, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 GLN HN 0 AMB 20-1:1541 4.50 (# 1541:20 Single Ambig)
&rst
ixpk= 1541, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1062,1018,
&end
#
# 75 GLU HN 74 GLN HA 7.00 (# 1543:20 Unique 3.33, 3.33 A)
&rst
ixpk= 1543, nxpk= 20, iat=1077,1062, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 42 GLU HN 42 GLU HA 4.50 (# 1544:20 Unique 2.75, 2.75 A)
&rst
ixpk= 1544, nxpk= 20, iat= 598, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 GLU HN 75 GLU HA 4.50 (# 1545:20 Unique 2.90, 2.90 A)
&rst
ixpk= 1545, nxpk= 20, iat=1077,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ASP HN 42 GLU HA 5.50 (# 1546:20 Unique 2.23, 2.25 A)
&rst
ixpk= 1546, nxpk= 20, iat= 613, 600, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 TRP HE3 139 LEU HA 5.50 (# 1547:20 Unique 2.23, 2.49 A)
&rst
ixpk= 1547, nxpk= 20, iat=2102,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 GLU HN 108 GLU HA 4.50 (# 1548:20 Unique 2.82, 2.84 A)
&rst
ixpk= 1548, nxpk= 20, iat=1568,1570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 ASN HD2- 108 GLU HA 4.50 (# 1549:20 Unique 1.94, 2.73 A)
&rst
ixpk= 1549, nxpk= 20, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1633,1634,
&end
#
# 147 LYS HN 147 LYS HA 4.50 (# 1550:20 Unique 2.76, 2.83 A)
&rst
ixpk= 1550, nxpk= 20, iat=2175,2177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 ASN HN 108 GLU HA 4.50 (# 1551:20 Unique 3.20, 3.24 A)
&rst
ixpk= 1551, nxpk= 20, iat=1624,1570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ASP HN 3 ASP HA 5.50 (# 1552:20 Unique 2.94, 2.94 A)
&rst
ixpk= 1552, nxpk= 20, iat= 31, 33, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 ILE HN 3 ASP HA 5.50 (# 1553:20 Unique 3.40, 3.42 A)
&rst
ixpk= 1553, nxpk= 20, iat= 43, 33, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LYS HN 25 LYS HA 5.50 (# 1554:20 Unique 2.76, 2.77 A)
&rst
ixpk= 1554, nxpk= 20, iat= 338, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 TYR HN 94 GLU HA 5.50 (# 1555:20 Unique 3.48, 3.53 A)
&rst
ixpk= 1555, nxpk= 20, iat=1376,1363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLN HN 76 GLN HA 4.50 (# 1556:20 Unique 2.92, 2.92 A)
&rst
ixpk= 1556, nxpk= 20, iat=1092,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 SER HN 47 SER HA 4.50 (# 1557:20 Unique 2.87, 2.88 A)
&rst
ixpk= 1557, nxpk= 20, iat= 668, 670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 GLY HN 47 SER HA 3.50 (# 1558:20 Unique 2.14, 2.14 A)
&rst
ixpk= 1558, nxpk= 20, iat= 679, 670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 LYS HN 77 LYS HA 3.50 (# 1559:20 Unique 2.29, 2.30 A)
&rst
ixpk= 1559, nxpk= 20, iat=1109,1111, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 THR HN 34 GLU HA 3.50 (# 1560:20 Unique 2.15, 2.15 A)
&rst
ixpk= 1560, nxpk= 20, iat= 489, 476, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1561 23 ALA HA 4.50 (# 1561:20 Single Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 313, 360,
&end
#
# 111 ASN HN 111 ASN HA 3.50 (# 1562:20 Unique 2.81, 2.82 A)
&rst
ixpk= 1562, nxpk= 20, iat=1624,1626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1563 19 ALA HA 4.50 (# 1563:20 Single Ambig)
&rst
ixpk= 1563, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 252, 262,
&end
#
# 144 ASN HN 144 ASN HA 4.50 (# 1564:20 Unique 2.79, 2.81 A)
&rst
ixpk= 1564, nxpk= 20, iat=2123,2125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 ILE HN 129 ASP HA 4.50 (# 1565:20 Unique 3.45, 3.53 A)
&rst
ixpk= 1565, nxpk= 20, iat=1908,1898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1566 144 ASN HA 5.50 (# 1566:20 Single Ambig)
&rst
ixpk= 1566, nxpk= 20, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2175,2156,
&end
#
# 107 ALA HN 107 ALA HA 4.50 (# 1567:20 Unique 2.75, 2.78 A)
&rst
ixpk= 1567, nxpk= 20, iat=1558,1560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ASP HN 43 ASP HA 4.50 (# 1568:20 Unique 2.78, 2.80 A)
&rst
ixpk= 1568, nxpk= 20, iat= 613, 615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1569 72 ALA HA 4.50 (# 1569:20 Single Ambig)
&rst
ixpk= 1569, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1031,1041,
&end
#
# 146 LEU HN 146 LEU HA 4.50 (# 1570:20 Unique 2.81, 2.83 A)
&rst
ixpk= 1570, nxpk= 20, iat=2156,2158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ILE HN 65 ASN HA 5.50 (# 1571:20 Unique 3.32, 5.16 A)
&rst
ixpk= 1571, nxpk= 20, iat= 872, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 LYS HN 121 LEU HA 3.50 (# 1573:20 Unique 2.21, 2.32 A)
&rst
ixpk= 1573, nxpk= 20, iat=1774,1757, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 LEU HN 40 LEU HA 4.50 (# 1574:20 Unique 3.17, 3.19 A)
&rst
ixpk= 1574, nxpk= 20, iat= 579, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 LEU HN 40 LEU HA 4.50 (# 1575:20 Unique 2.94, 2.95 A)
&rst
ixpk= 1575, nxpk= 20, iat= 560, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 HIS HN 36 LEU HA 4.50 (# 1576:20 Unique 2.24, 2.28 A)
&rst
ixpk= 1576, nxpk= 20, iat= 522, 505, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 LYS HN 114 ALA HA 3.50 (# 1577:20 Unique 2.22, 2.31 A)
&rst
ixpk= 1577, nxpk= 20, iat=1666,1658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 ALA HN 114 ALA HA 5.50 (# 1578:20 Unique 2.84, 2.86 A)
&rst
ixpk= 1578, nxpk= 20, iat=1656,1658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HN 29 ALA HA 4.50 (# 1579:20 Unique 2.79, 2.81 A)
&rst
ixpk= 1579, nxpk= 20, iat= 409, 411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL HN 0 AMB 20-1:1580 5.50 (# 1580:20 Single Ambig)
&rst
ixpk= 1580, nxpk= 20, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1189,1658,
&end
#
# 46 ALA HN 46 ALA HA 4.50 (# 1581:20 Unique 2.89, 2.90 A)
&rst
ixpk= 1581, nxpk= 20, iat= 658, 660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 SER HN 46 ALA HA 4.50 (# 1583:20 Unique 2.67, 2.69 A)
&rst
ixpk= 1583, nxpk= 20, iat= 668, 660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ASP HN 2 ALA HA 4.50 (# 1584:20 Unique 2.52, 2.62 A)
&rst
ixpk= 1584, nxpk= 20, iat= 31, 23, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LYS HN 78 PRO HD+ 4.50 (# 1585:20 Unique 2.65, 2.87 A)
&rst
ixpk= 1585, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1132,1133,
&end
#
# 67 SER HN 68 PRO HD+ 5.50 (# 1586:20 Unique 1.73, 2.40 A)
&rst
ixpk= 1586, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 962, 963,
&end
#
# 0 AMB 20-2:1587 38 GLY HA- 5.50 (# 1587:20 Single Ambig)
&rst
ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 539, 547, 548, 547, 548,
igr2= 541, 542,
&end
#
# 140 GLY HN 140 GLY HA+ 4.50 (# 1588:20 Unique 2.29, 2.56 A)
&rst
ixpk= 1588, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2067,2068,
&end
#
# 140 GLY HN 140 GLY HA- 4.50 (# 1589:20 Unique 2.29, 2.56 A)
&rst
ixpk= 1589, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2067,2068,
&end
#
# 0 AMB 20-2:1591 0 AMB 20-1:1591 5.50 (# 1591:20 Double Ambig)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 843, 836,
igr2= 838, 839, 838, 839,
&end
#
# 30 GLY HN 30 GLY HA+ 4.50 (# 1592:20 Unique 2.59, 2.77 A)
&rst
ixpk= 1592, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 421, 422,
&end
#
# 0 AMB 20-2:1593 48 GLY HA- 3.50 (# 1593:20 Single Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 686, 679,
igr2= 681, 682,
&end
#
# 113 GLY HN 113 GLY HA+ 4.50 (# 1594:20 Unique 2.57, 2.77 A)
&rst
ixpk= 1594, nxpk= 20, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1651,1652,
&end
#
# 118 GLY HN 118 GLY HA+ 4.50 (# 1595:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1595, nxpk= 20, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1721,1722,
&end
#
# 119 GLU HN 118 GLY HA- 4.50 (# 1596:20 Unique 2.14, 2.75 A)
&rst
ixpk= 1596, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1721,1722,
&end
#
# 119 GLU HN 118 GLY HA+ 4.50 (# 1597:20 Unique 2.14, 2.75 A)
&rst
ixpk= 1597, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1721,1722,
&end
#
# 118 GLY HN 118 GLY HA- 5.50 (# 1598:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1598, nxpk= 20, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1721,1722,
&end
#
# 69 PHE HN 69 PHE HB+ 5.50 (# 1599:20 Unique 2.10, 2.60 A)
&rst
ixpk= 1599, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 979, 980,
&end
#
# 89 GLY HN 89 GLY HA- 7.00 (# 1600:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1600, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1295,1296,
&end
#
# 6 LEU HN 6 LEU MDY 4.50 (# 1601:20 Unique 2.94, 4.67 A)
&rst
ixpk= 1601, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HN 5 THR MG2 5.50 (# 1602:20 Unique 4.02, 4.67 A)
&rst
ixpk= 1602, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 68, 69, 70,
&end
#
# 50 TRP HN 49 ILE MG2 4.50 (# 1604:20 Unique 2.64, 3.71 A)
&rst
ixpk= 1604, nxpk= 20, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 692, 693, 694,
&end
#
# 89 GLY HN 88 ILE MG2 5.50 (# 1605:20 Unique 2.55, 3.95 A)
&rst
ixpk= 1605, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1280,1281,1282,
&end
#
# 33 THR MG2 33 THR HA 3.50 (# 1609:20 Unique 2.57, 3.28 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 466, 467, 468,
&end
#
# 0 AMB 20-2:1610 33 THR HA 5.50 (# 1610:20 Single Ambig)
&rst
ixpk= 1610, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 49, 50, 51, 85, 86, 87, 89, 90, 91, 85,
86, 87, 89, 90, 91,
&end
#
# 84 ARG HG+ 49 ILE HA 5.50 (# 1611:20 Unique 2.20, 3.40 A)
&rst
ixpk= 1611, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1220,1221,
&end
#
# 33 THR HB 33 THR HA 3.50 (# 1612:20 Unique 2.32, 2.34 A)
&rst
ixpk= 1612, nxpk= 20, iat= 464, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 ILE MG2 49 ILE HA 3.50 (# 1613:20 Unique 2.09, 2.94 A)
&rst
ixpk= 1613, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 692, 693, 694,
&end
#
# 49 ILE MD1 49 ILE HA 5.50 (# 1614:20 Unique 2.03, 3.12 A)
&rst
ixpk= 1614, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 699, 700, 701,
&end
#
# 90 ILE HB 55 SER HA 5.50 (# 1615:20 Unique 5.34, 5.51 A)
&rst
ixpk= 1615, nxpk= 20, iat=1304, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 PHE HB+ 85 PHE HA 4.50 (# 1616:20 Unique 2.24, 2.72 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1241,1242,
&end
#
# 85 PHE HB- 85 PHE HA 4.50 (# 1617:20 Unique 2.24, 2.72 A)
&rst
ixpk= 1617, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1241,1242,
&end
#
# 84 ARG HB+ 84 ARG HA 3.50 (# 1618:20 Unique 2.29, 2.46 A)
&rst
ixpk= 1618, nxpk= 20, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1217,1218,
&end
#
# 0 AMB 20-2:1619 84 ARG HA 3.50 (# 1619:20 Single Ambig)
&rst
ixpk= 1619, nxpk= 20, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1217,1218,1220,1221,
&end
#
# 50 TRP HB+ 50 TRP HA 4.50 (# 1620:20 Unique 2.57, 2.80 A)
&rst
ixpk= 1620, nxpk= 20, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 709, 710,
&end
#
# 50 TRP HB- 50 TRP HA 4.50 (# 1621:20 Unique 2.57, 2.80 A)
&rst
ixpk= 1621, nxpk= 20, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 709, 710,
&end
#
# 0 AMB 20-2:1622 87 ALA HA 3.50 (# 1622:20 Single Ambig)
&rst
ixpk= 1622, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1268,1269,1270,1310,1311,
&end
#
# 52 VAL HB 87 ALA HA 5.50 (# 1623:20 Unique 4.94, 5.11 A)
&rst
ixpk= 1623, nxpk= 20, iat= 752,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 ILE HN 33 THR HA 4.50 (# 1628:20 Unique 2.40, 2.44 A)
&rst
ixpk= 1628, nxpk= 20, iat= 43, 462, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLU HN 33 THR HA 3.50 (# 1629:20 Unique 2.28, 2.29 A)
&rst
ixpk= 1629, nxpk= 20, iat= 474, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 GLY HN 85 PHE HA 4.50 (# 1632:20 Unique 2.19, 2.27 A)
&rst
ixpk= 1632, nxpk= 20, iat=1257,1239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 LYS HN 84 ARG HA 4.50 (# 1633:20 Unique 1.94, 2.24 A)
&rst
ixpk= 1633, nxpk= 20, iat=1666,1215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 PHE HN 84 ARG HA 4.50 (# 1634:20 Unique 2.33, 2.43 A)
&rst
ixpk= 1634, nxpk= 20, iat=1237,1215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 LEU HN 50 TRP HA 3.50 (# 1635:20 Unique 2.15, 2.15 A)
&rst
ixpk= 1635, nxpk= 20, iat= 729, 707, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 TRP HD1 50 TRP HA 4.50 (# 1636:20 Unique 2.43, 2.60 A)
&rst
ixpk= 1636, nxpk= 20, iat= 713, 707, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HN 50 TRP HA 7.00 (# 1637:20 Unique 3.27, 3.35 A)
&rst
ixpk= 1637, nxpk= 20, iat= 62, 707, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 52 VAL HN 87 ALA HA 5.50 (# 1638:20 Unique 3.21, 3.49 A)
&rst
ixpk= 1638, nxpk= 20, iat= 748,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ILE HN 87 ALA HA 3.50 (# 1640:20 Unique 2.14, 2.17 A)
&rst
ixpk= 1640, nxpk= 20, iat=1274,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 THR HA 33 THR HB 4.50 (# 1644:20 Unique 2.32, 2.34 A)
&rst
ixpk= 1644, nxpk= 20, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 THR HA 56 THR HB 5.50 (# 1645:20 Unique 2.31, 2.45 A)
&rst
ixpk= 1645, nxpk= 20, iat= 807, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HA 32 THR HB 3.50 (# 1647:20 Unique 2.58, 2.58 A)
&rst
ixpk= 1647, nxpk= 20, iat= 448, 450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1649 0 AMB 20-1:1649 4.50 (# 1649:20 Double Ambig)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1411, 145,
igr2=1413, 147,
&end
#
# 50 TRP HA 5 THR HB 5.50 (# 1653:20 Unique 4.45, 4.50 A)
&rst
ixpk= 1653, nxpk= 20, iat= 707, 66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 TRP HD1 5 THR HB 5.50 (# 1654:20 Unique 4.40, 4.73 A)
&rst
ixpk= 1654, nxpk= 20, iat= 713, 66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 THR HA 11 THR HB 4.50 (# 1656:20 Unique 2.38, 2.50 A)
&rst
ixpk= 1656, nxpk= 20, iat= 145, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 THR HA 35 THR HB 4.50 (# 1659:20 Unique 3.00, 3.00 A)
&rst
ixpk= 1659, nxpk= 20, iat= 491, 493, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 VAL HN 18 VAL HA 5.50 (# 1660:20 Unique 2.91, 2.92 A)
&rst
ixpk= 1660, nxpk= 20, iat= 236, 238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 PRO HG- 68 PRO HA 4.50 (# 1661:20 Unique 3.85, 3.94 A)
&rst
ixpk= 1661, nxpk= 20, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 965, 966,
&end
#
# 146 LEU HG 143 VAL HA 4.50 (# 1662:20 Unique 2.88, 3.18 A)
&rst
ixpk= 1662, nxpk= 20, iat=2163,2109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1663 143 VAL HA 5.50 (# 1663:20 Single Ambig)
&rst
ixpk= 1663, nxpk= 20, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2160,2161,2185,2186,
&end
#
# 19 ALA MB 0 AMB 20-1:1664 5.50 (# 1664:20 Single Ambig)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 256, 257, 258,
igr2= 118, 119, 118, 119,
&end
#
# 90 ILE MG2 92 SER HB- 4.50 (# 1665:20 Unique 2.43, 4.48 A)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1306,1307,1308,
igr2=1330,1331,
&end
#
# 92 SER HA 92 SER HB- 5.50 (# 1667:20 Unique 2.25, 2.65 A)
&rst
ixpk= 1667, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1330,1331,
&end
#
# 47 SER HA 47 SER HB- 3.50 (# 1668:20 Unique 2.27, 2.63 A)
&rst
ixpk= 1668, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 672, 673,
&end
#
# 47 SER HA 47 SER HB+ 3.50 (# 1669:20 Unique 2.27, 2.63 A)
&rst
ixpk= 1669, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 672, 673,
&end
#
# 92 SER HA 92 SER HB+ 5.50 (# 1671:20 Unique 2.25, 2.65 A)
&rst
ixpk= 1671, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1330,1331,
&end
#
# 47 SER HN 47 SER HB+ 7.00 (# 1672:20 Unique 3.26, 3.66 A)
&rst
ixpk= 1672, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 672, 673,
&end
#
# 112 SER HA 112 SER HB- 4.50 (# 1674:20 Unique 2.35, 2.46 A)
&rst
ixpk= 1674, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1642,1643,
&end
#
# 80 LEU MDY 112 SER HB+ 4.50 (# 1677:20 Unique 2.07, 4.79 A)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1166,1167,1168,1170,1171,1172,
igr2=1642,1643,
&end
#
# 0 AMB 20-2:1678 0 AMB 20-1:1678 5.50 (# 1678:20 Double Ambig)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1161,1162,1116,1117,1587,1588,
igr2=1642,1643,1642,1643,1642,1643,
&end
#
# 109 LEU HA 112 SER HB+ 7.00 (# 1679:20 Unique 2.99, 3.95 A)
&rst
ixpk= 1679, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1642,1643,
&end
#
# 112 SER HA 112 SER HB+ 3.50 (# 1680:20 Unique 2.35, 2.46 A)
&rst
ixpk= 1680, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1642,1643,
&end
#
# 131 PRO HB+ 131 PRO HA 5.50 (# 1685:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1685, nxpk= 20, iat= -1,1937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1934,1935,
&end
#
# 0 AMB 20-2:1687 81 SER HB- 5.50 (# 1687:20 Single Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1189,1159,
igr2=1180,1181,
&end
#
# 141 SER HA 141 SER HB- 3.50 (# 1688:20 Unique 2.26, 2.77 A)
&rst
ixpk= 1688, nxpk= 20, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2076,2077,
&end
#
# 141 SER HA 141 SER HB+ 3.50 (# 1689:20 Unique 2.26, 2.77 A)
&rst
ixpk= 1689, nxpk= 20, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2076,2077,
&end
#
# 81 SER HA 81 SER HB- 3.50 (# 1691:20 Unique 2.42, 2.80 A)
&rst
ixpk= 1691, nxpk= 20, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1180,1181,
&end
#
# 81 SER HA 81 SER HB+ 4.50 (# 1692:20 Unique 2.42, 2.80 A)
&rst
ixpk= 1692, nxpk= 20, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1180,1181,
&end
#
# 142 TRP HB+ 142 TRP HA 5.50 (# 1694:20 Unique 2.31, 2.69 A)
&rst
ixpk= 1694, nxpk= 20, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2087,2088,
&end
#
# 11 THR HB 11 THR HA 3.50 (# 1695:20 Unique 2.38, 2.50 A)
&rst
ixpk= 1695, nxpk= 20, iat= 147, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 142 TRP HD1 142 TRP HA 4.50 (# 1697:20 Unique 2.84, 2.90 A)
&rst
ixpk= 1697, nxpk= 20, iat=2091,2085, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1698 0 AMB 20-1:1698 4.50 (# 1698:20 Double Ambig)
&rst
ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 965, 966,1135,1136,
igr2= 145,1141,
&end
#
# 117 THR HN 117 THR HA 7.00 (# 1700:20 Unique 2.86, 2.91 A)
&rst
ixpk= 1700, nxpk= 20, iat=1705,1707, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 117 THR HB 117 THR HA 7.00 (# 1702:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1702, nxpk= 20, iat=1709,1707, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 118 GLY HA+ 117 THR HA 7.00 (# 1703:20 Unique 4.37, 4.42 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1721,1722,
&end
#
# 78 PRO HB- 78 PRO HA 5.50 (# 1704:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1704, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1138,1139,
&end
#
# 0 AMB 20-2:1705 52 VAL HA 5.50 (# 1705:20 Single Ambig)
&rst
ixpk= 1705, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1287,1288,1289, 101, 102, 103,
&end
#
# 11 THR HA 0 AMB 20-1:1708 3.50 (# 1708:20 Single Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 954, 955, 954, 955,
&end
#
# 11 THR HA 0 AMB 20-1:1709 3.50 (# 1709:20 Single Ambig)
&rst
ixpk= 1709, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 954, 955, 954, 955,
&end
#
# 68 PRO HD- 0 AMB 20-1:1710 7.00 (# 1710:20 Single Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 962, 963,
igr2= 954, 955, 954, 955,
&end
#
# 113 GLY HA- 81 SER HA 7.00 (# 1712:20 Unique 3.26, 3.67 A)
&rst
ixpk= 1712, nxpk= 20, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1651,1652,
&end
#
# 0 AMB 20-2:1713 81 SER HA 4.50 (# 1713:20 Single Ambig)
&rst
ixpk= 1713, nxpk= 20, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1658,1189,1159,
&end
#
# 82 ALA HN 81 SER HA 7.00 (# 1715:20 Unique 3.18, 3.28 A)
&rst
ixpk= 1715, nxpk= 20, iat=1187,1178, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 70 TYR HB+ 70 TYR HA 5.50 (# 1716:20 Unique 2.23, 2.56 A)
&rst
ixpk= 1716, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 999,1000,
&end
#
# 0 AMB 20-2:1717 70 TYR HA 7.00 (# 1717:20 Single Ambig)
&rst
ixpk= 1717, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1041,1031,
&end
#
# 70 TYR HN 70 TYR HA 7.00 (# 1718:20 Unique 2.76, 2.77 A)
&rst
ixpk= 1718, nxpk= 20, iat= 995, 997, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 73 LEU HB+ 70 TYR HA 7.00 (# 1719:20 Unique 2.09, 3.04 A)
&rst
ixpk= 1719, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1045,1046,
&end
#
# 0 AMB 20-2:1722 0 AMB 20-1:1722 4.50 (# 1722:20 Double Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2022, 975,
igr2=2024, 977,
&end
#
# 72 ALA HN 69 PHE HA 7.00 (# 1723:20 Unique 3.77, 3.86 A)
&rst
ixpk= 1723, nxpk= 20, iat=1031, 977, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 124 ASN HN 123 ILE HA 4.50 (# 1724:20 Unique 2.14, 2.18 A)
&rst
ixpk= 1724, nxpk= 20, iat=1815,1798, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 PHE HA 70 TYR HA 5.50 (# 1725:20 Unique 4.77, 4.78 A)
&rst
ixpk= 1725, nxpk= 20, iat= 977, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 ASN HN 141 SER HA 7.00 (# 1726:20 Unique 3.53, 3.70 A)
&rst
ixpk= 1726, nxpk= 20, iat=2123,2074, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 123 ILE MD1 123 ILE HA 5.50 (# 1727:20 Unique 3.88, 4.54 A)
&rst
ixpk= 1727, nxpk= 20, iat= -1,1798, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1809,1810,1811,
&end
#
# 0 AMB 20-2:1728 141 SER HA 5.50 (# 1728:20 Single Ambig)
&rst
ixpk= 1728, nxpk= 20, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2139,2009,
&end
#
# 0 AMB 20-2:1729 136 GLU HA 7.00 (# 1729:20 Single Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
igr1=1764,1765,1766,1768,1769,1770,1802,1803,1804, 303,
304, 305, 307, 308, 309,
&end
#
# 0 AMB 20-2:1730 136 GLU HA 7.00 (# 1730:20 Single Ambig)
&rst
ixpk= 1730, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2055,2056,2057,2059,2060,2061,1764,1765,1766,1768,
1769,1770,
&end
#
# 0 AMB 20-2:1731 136 GLU HA 7.00 (# 1731:20 Single Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2046, 287,
&end
#
# 84 ARG HN 49 ILE HA 5.50 (# 1732:20 Unique 2.78, 3.15 A)
&rst
ixpk= 1732, nxpk= 20, iat=1213, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 TRP HN 49 ILE HA 3.50 (# 1733:20 Unique 2.14, 2.14 A)
&rst
ixpk= 1733, nxpk= 20, iat= 705, 688, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 THR HN 33 THR HA 7.00 (# 1735:20 Unique 2.93, 2.93 A)
&rst
ixpk= 1735, nxpk= 20, iat= 460, 462, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 ILE HB 7 ILE HA 7.00 (# 1736:20 Unique 2.98, 2.98 A)
&rst
ixpk= 1736, nxpk= 20, iat= 99, 97, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:1740 110 LYS HA 7.00 (# 1740:20 Single Ambig)
&rst
ixpk= 1740, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1656,1638,
&end
#
# 89 GLY HN 88 ILE HA 3.50 (# 1741:20 Unique 2.14, 2.17 A)
&rst
ixpk= 1741, nxpk= 20, iat=1293,1276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LYS HN 104 LYS HA 5.50 (# 1743:20 Unique 2.70, 2.75 A)
&rst
ixpk= 1743, nxpk= 20, iat=1502,1504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 GLN HB- 74 GLN HA 4.50 (# 1747:20 Unique 2.33, 2.67 A)
&rst
ixpk= 1747, nxpk= 20, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1064,1065,
&end
#
# 0 AMB 20-2:1748 71 GLU HA 7.00 (# 1748:20 Single Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1031,1041,
&end
#
# 74 GLN HN 71 GLU HA 5.50 (# 1749:20 Unique 3.94, 4.06 A)
&rst
ixpk= 1749, nxpk= 20, iat=1060,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 HIS HD2 21 HIS HA 5.50 (# 1752:20 Unique 2.66, 3.29 A)
&rst
ixpk= 1752, nxpk= 20, iat= 290, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU HB- 21 HIS HA 7.00 (# 1754:20 Unique 2.73, 3.17 A)
&rst
ixpk= 1754, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 327, 328,
&end
#
# 105 LEU MDX 105 LEU HA 7.00 (# 1755:20 Unique 1.96, 3.17 A)
&rst
ixpk= 1755, nxpk= 20, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1533,1534,1535,1537,1538,1539,
&end
#
# 41 LEU HB- 41 LEU HA 4.50 (# 1756:20 Unique 2.61, 2.84 A)
&rst
ixpk= 1756, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 583, 584,
&end
#
# 41 LEU HN 41 LEU HA 5.50 (# 1757:20 Unique 2.28, 2.28 A)
&rst
ixpk= 1757, nxpk= 20, iat= 579, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1758 74 GLN HA 4.50 (# 1758:20 Single Ambig)
&rst
ixpk= 1758, nxpk= 20, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1079,1094,
&end
#
# 109 LEU HG 109 LEU HA 7.00 (# 1762:20 Unique 3.15, 3.23 A)
&rst
ixpk= 1762, nxpk= 20, iat=1590,1585, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 112 SER HB- 109 LEU HA 5.50 (# 1763:20 Unique 2.99, 3.95 A)
&rst
ixpk= 1763, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1642,1643,
&end
#
# 109 LEU HN 109 LEU HA 7.00 (# 1764:20 Unique 2.76, 2.78 A)
&rst
ixpk= 1764, nxpk= 20, iat=1583,1585, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:1765 0 AMB 20-1:1765 4.50 (# 1765:20 Double Ambig)
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2053, 367, 342, 343,1064,1065,
igr2= 362,1079,
&end
#
# 44 LEU HN 42 GLU HA 7.00 (# 1766:20 Unique 3.30, 3.31 A)
&rst
ixpk= 1766, nxpk= 20, iat= 625, 600, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:1768 41 LEU HA 7.00 (# 1768:20 Single Ambig)
&rst
ixpk= 1768, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 613,1104,1105,
&end
#
# 73 LEU MDY 73 LEU HA 7.00 (# 1769:20 Unique 1.92, 3.76 A)
&rst
ixpk= 1769, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HB+ 73 LEU HA 5.50 (# 1770:20 Unique 2.58, 2.79 A)
&rst
ixpk= 1770, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1045,1046,
&end
#
# 74 GLN HN 73 LEU HA 7.00 (# 1772:20 Unique 3.57, 3.57 A)
&rst
ixpk= 1772, nxpk= 20, iat=1060,1043, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 73 LEU HG 73 LEU HA 7.00 (# 1773:20 Unique 2.78, 2.85 A)
&rst
ixpk= 1773, nxpk= 20, iat=1048,1043, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 147 LYS HB+ 147 LYS HA 4.50 (# 1774:20 Unique 2.78, 2.85 A)
&rst
ixpk= 1774, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2179,2180,
&end
#
# 147 LYS HG+ 147 LYS HA 4.50 (# 1775:20 Unique 2.15, 2.54 A)
&rst
ixpk= 1775, nxpk= 20, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2182,2183,
&end
#
# 56 THR HN 55 SER HA 5.50 (# 1776:20 Unique 2.14, 2.14 A)
&rst
ixpk= 1776, nxpk= 20, iat= 805, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LEU HN 22 LEU HA 7.00 (# 1778:20 Unique 2.75, 2.76 A)
&rst
ixpk= 1778, nxpk= 20, iat= 294, 296, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 GLU HN 25 LYS HA 7.00 (# 1779:20 Unique 3.20, 3.35 A)
&rst
ixpk= 1779, nxpk= 20, iat= 394, 340, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 105 LEU MDY 103 ASP HA 7.00 (# 1780:20 Unique 6.15, 7.55 A)
&rst
ixpk= 1780, nxpk= 20, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1533,1534,1535,1537,1538,1539,
&end
#
# 77 LYS HN 76 GLN HA 5.50 (# 1781:20 Unique 3.54, 3.55 A)
&rst
ixpk= 1781, nxpk= 20, iat=1109,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 PRO HD- 77 LYS HA 5.50 (# 1783:20 Unique 2.19, 2.64 A)
&rst
ixpk= 1783, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1132,1133,
&end
#
# 97 THR HN 96 ASP HA 7.00 (# 1784:20 Unique 2.37, 2.74 A)
&rst
ixpk= 1784, nxpk= 20, iat=1409,1399, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:1785 96 ASP HA 5.50 (# 1785:20 Single Ambig)
&rst
ixpk= 1785, nxpk= 20, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1397,1423,
&end
#
# 116 GLN HG+ 116 GLN HA 5.50 (# 1786:20 Unique 2.34, 2.83 A)
&rst
ixpk= 1786, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1695,1696,
&end
#
# 145 LEU HN 145 LEU HA 5.50 (# 1787:20 Unique 2.81, 2.86 A)
&rst
ixpk= 1787, nxpk= 20, iat=2137,2139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1788 145 LEU HA 7.00 (# 1788:20 Single Ambig)
&rst
ixpk= 1788, nxpk= 20, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2156,2175,
&end
#
# 0 AMB 20-2:1789 144 ASN HA 5.50 (# 1789:20 Single Ambig)
&rst
ixpk= 1789, nxpk= 20, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2137,2132,2133,
&end
#
# 0 AMB 20-2:1790 0 AMB 20-1:1790 5.50 (# 1790:20 Double Ambig)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 625,1824,1825,
igr2= 615,1898,
&end
#
# 110 LYS HN 107 ALA HA 7.00 (# 1792:20 Unique 3.85, 3.89 A)
&rst
ixpk= 1792, nxpk= 20, iat=1602,1560, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:1793 107 ALA HA 5.50 (# 1793:20 Single Ambig)
&rst
ixpk= 1793, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1612,1613,1612,1613,
&end
#
# 83 VAL MGY 85 PHE HA 7.00 (# 1794:20 Unique 4.40, 5.89 A)
&rst
ixpk= 1794, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:1795 85 PHE HA 5.50 (# 1795:20 Single Ambig)
&rst
ixpk= 1795, nxpk= 20, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1245,1253,1237,
&end
#
# 50 TRP HN 85 PHE HA 5.50 (# 1796:20 Unique 3.03, 3.23 A)
&rst
ixpk= 1796, nxpk= 20, iat= 705,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 GLU HG+ 72 ALA HA 7.00 (# 1798:20 Unique 3.77, 4.25 A)
&rst
ixpk= 1798, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1084,1085,
&end
#
# 13 GLY HA+ 12 LEU HA 7.00 (# 1800:20 Unique 4.31, 4.55 A)
&rst
ixpk= 1800, nxpk= 20, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 178, 179,
&end
#
# 9 GLY HA- 12 LEU HA 4.50 (# 1801:20 Unique 3.19, 4.41 A)
&rst
ixpk= 1801, nxpk= 20, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 127, 128,
&end
#
# 75 GLU HN 72 ALA HA 5.50 (# 1802:20 Unique 3.26, 3.29 A)
&rst
ixpk= 1802, nxpk= 20, iat=1077,1033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLY HN 12 LEU HA 5.50 (# 1803:20 Unique 2.28, 2.59 A)
&rst
ixpk= 1803, nxpk= 20, iat= 176, 159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLN HN 72 ALA HA 5.50 (# 1805:20 Unique 3.74, 3.77 A)
&rst
ixpk= 1805, nxpk= 20, iat=1092,1033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 TYR HB- 65 ASN HA 7.00 (# 1808:20 Unique 5.70, 7.12 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 999,1000,
&end
#
# 64 ASP HA 65 ASN HA 7.00 (# 1809:20 Unique 4.72, 4.82 A)
&rst
ixpk= 1809, nxpk= 20, iat= 907, 919, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLY HA- 65 ASN HA 7.00 (# 1810:20 Unique 2.47, 3.44 A)
&rst
ixpk= 1810, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 855, 856,
&end
#
# 0 AMB 20-2:1811 65 ASN HA 7.00 (# 1811:20 Single Ambig)
&rst
ixpk= 1811, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 885, 886, 887,1477,1478,1479,1484,1485,1486,
&end
#
# 83 VAL MGY 84 ARG HA 7.00 (# 1814:20 Unique 4.20, 5.11 A)
&rst
ixpk= 1814, nxpk= 20, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 121 LEU HB- 121 LEU HA 5.50 (# 1815:20 Unique 2.49, 2.80 A)
&rst
ixpk= 1815, nxpk= 20, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1759,1760,
&end
#
# 80 LEU MDX 80 LEU HA 3.50 (# 1816:20 Unique 1.91, 3.41 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 80 LEU HB- 80 LEU HA 4.50 (# 1817:20 Unique 2.44, 2.74 A)
&rst
ixpk= 1817, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1161,1162,
&end
#
# 0 AMB 20-2:1821 36 LEU HA 7.00 (# 1821:20 Single Ambig)
&rst
ixpk= 1821, nxpk= 20, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 560, 262,
&end
#
# 0 AMB 20-2:1822 50 TRP HA 7.00 (# 1822:20 Single Ambig)
&rst
ixpk= 1822, nxpk= 20, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 49, 50, 51, 692, 693, 694,
&end
#
# 0 AMB 20-2:1823 50 TRP HA 7.00 (# 1823:20 Single Ambig)
&rst
ixpk= 1823, nxpk= 20, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 66, 681, 682,
&end
#
# 50 TRP HD1 50 TRP HA 4.50 (# 1824:20 Unique 2.43, 2.60 A)
&rst
ixpk= 1824, nxpk= 20, iat= 713, 707, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HN 50 TRP HA 7.00 (# 1825:20 Unique 2.91, 2.93 A)
&rst
ixpk= 1825, nxpk= 20, iat= 705, 707, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 THR HB 50 TRP HA 7.00 (# 1826:20 Unique 4.45, 4.50 A)
&rst
ixpk= 1826, nxpk= 20, iat= 66, 707, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:1829 114 ALA HA 5.50 (# 1829:20 Single Ambig)
&rst
ixpk= 1829, nxpk= 20, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1670,1671,1217,1218,
&end
#
# 82 ALA MB 82 ALA HA 2.80 (# 1830:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1830, nxpk= 20, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1191,1192,1193,
&end
#
# 81 SER HA 114 ALA HA 5.50 (# 1832:20 Unique 3.36, 3.93 A)
&rst
ixpk= 1832, nxpk= 20, iat=1178,1658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 PRO HD- 44 LEU HA 4.50 (# 1833:20 Unique 2.32, 2.40 A)
&rst
ixpk= 1833, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 645, 646,
&end
#
# 30 GLY HN 29 ALA HA 5.50 (# 1835:20 Unique 3.48, 3.48 A)
&rst
ixpk= 1835, nxpk= 20, iat= 419, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ALA MB 114 ALA HA 3.50 (# 1836:20 Unique 2.28, 2.63 A)
&rst
ixpk= 1836, nxpk= 20, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1660,1661,1662,
&end
#
# 44 LEU MDX 44 LEU HA 4.50 (# 1837:20 Unique 2.00, 3.65 A)
&rst
ixpk= 1837, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 20-2:1839 0 AMB 20-1:1839 4.50 (# 1839:20 Double Ambig)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 629, 630,2113,2114,2115,2117,2118,2119,
igr2= 627, 411,
&end
#
# 44 LEU HB- 46 ALA HA 7.00 (# 1840:20 Unique 6.05, 6.16 A)
&rst
ixpk= 1840, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 629, 630,
&end
#
# 83 VAL HN 82 ALA HA 4.50 (# 1841:20 Unique 3.34, 3.40 A)
&rst
ixpk= 1841, nxpk= 20, iat=1197,1189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 ALA HN 82 ALA HA 5.50 (# 1842:20 Unique 2.94, 2.95 A)
&rst
ixpk= 1842, nxpk= 20, iat=1187,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1846 87 ALA HA 7.00 (# 1846:20 Single Ambig)
&rst
ixpk= 1846, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1287,1288,1289, 738, 739, 740, 742, 743, 744,
&end
#
# 32 THR HB 2 ALA HA 7.00 (# 1847:20 Unique 2.29, 2.39 A)
&rst
ixpk= 1847, nxpk= 20, iat= 450, 23, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:1851 0 AMB 20-1:1851 4.50 (# 1851:20 Double Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1910,1898,
igr2=1928,1929,1928,1929,
&end
#
# 0 AMB 20-2:1852 87 ALA HA 7.00 (# 1852:20 Single Ambig)
&rst
ixpk= 1852, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1310,1311,1747,1748,1749,
&end
#
# 52 VAL MGX 87 ALA HA 7.00 (# 1853:20 Unique 2.02, 4.13 A)
&rst
ixpk= 1853, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 52 VAL HB 87 ALA HA 5.50 (# 1854:20 Unique 4.94, 5.11 A)
&rst
ixpk= 1854, nxpk= 20, iat= 752,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 ILE MG2 131 PRO HD+ 5.50 (# 1855:20 Unique 1.90, 3.47 A)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1914,1915,1916,
igr2=1928,1929,
&end
#
# 78 PRO HB- 78 PRO HD- 5.50 (# 1860:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1138,1139,
igr2=1132,1133,
&end
#
# 73 LEU HA 78 PRO HD- 5.50 (# 1861:20 Unique 4.09, 4.38 A)
&rst
ixpk= 1861, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1132,1133,
&end
#
# 77 LYS HA 78 PRO HD- 4.50 (# 1862:20 Unique 2.19, 2.64 A)
&rst
ixpk= 1862, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1132,1133,
&end
#
# 0 AMB 20-2:1863 0 AMB 20-1:1863 5.50 (# 1863:20 Double Ambig)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 940, 941, 942, 944, 945, 946,1166,1167,1168,1170,
1171,1172,1166,1167,1168,1170,1171,1172,
igr2= 962, 963,1132,1133,1132,1133,
&end
#
# 0 AMB 20-2:1864 0 AMB 20-1:1864 5.50 (# 1864:20 Double Ambig)
&rst
ixpk= 1864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1096,1097, 965, 966,
igr2=1132,1133, 962, 963,
&end
#
# 44 LEU HA 45 PRO HD+ 3.50 (# 1865:20 Unique 2.32, 2.40 A)
&rst
ixpk= 1865, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 645, 646,
&end
#
# 77 LYS HN 78 PRO HD+ 4.50 (# 1866:20 Unique 2.65, 2.87 A)
&rst
ixpk= 1866, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1132,1133,
&end
#
# 68 PRO HG+ 68 PRO HD- 5.50 (# 1867:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 965, 966,
igr2= 962, 963,
&end
#
# 44 LEU MDX 45 PRO HD+ 5.50 (# 1869:20 Unique 2.45, 4.38 A)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 645, 646,
&end
#
# 44 LEU HB+ 45 PRO HD- 7.00 (# 1870:20 Unique 1.83, 3.33 A)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 629, 630,
igr2= 645, 646,
&end
#
# 68 PRO HG- 68 PRO HD- 5.50 (# 1871:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 965, 966,
igr2= 962, 963,
&end
#
# 53 ILE MD1 38 GLY HA+ 7.00 (# 1876:20 Unique 7.20, 8.22 A)
&rst
ixpk= 1876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 777, 778, 779,
igr2= 541, 542,
&end
#
# 0 AMB 20-2:1877 0 AMB 20-1:1877 7.00 (# 1877:20 Double Ambig)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
igr1= 539, 547, 548, 547, 548,
igr2= 541, 542, 541, 542, 541, 542,
&end
#
# 143 VAL HB 140 GLY HA- 5.50 (# 1878:20 Unique 2.80, 3.71 A)
&rst
ixpk= 1878, nxpk= 20, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2067,2068,
&end
#
# 141 SER HN 140 GLY HA- 7.00 (# 1879:20 Unique 2.46, 3.04 A)
&rst
ixpk= 1879, nxpk= 20, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2067,2068,
&end
#
# 56 THR MG2 60 GLY HA+ 5.50 (# 1883:20 Unique 4.26, 5.80 A)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 811, 812, 813,
igr2= 855, 856,
&end
#
# 30 GLY HN 30 GLY HA- 3.50 (# 1892:20 Unique 2.59, 2.77 A)
&rst
ixpk= 1892, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 421, 422,
&end
#
# 114 ALA HN 113 GLY HA- 5.50 (# 1893:20 Unique 2.86, 3.21 A)
&rst
ixpk= 1893, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1651,1652,
&end
#
# 114 ALA HN 113 GLY HA+ 5.50 (# 1894:20 Unique 2.86, 3.21 A)
&rst
ixpk= 1894, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1651,1652,
&end
#
# 0 AMB 20-2:1897 0 AMB 20-1:1897 3.50 (# 1897:20 Double Ambig)
&rst
ixpk= 1897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 686, 679,
igr2= 681, 682, 681, 682,
&end
#
# 0 AMB 20-2:1899 118 GLY HA- 7.00 (# 1899:20 Single Ambig)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1700,1701,1350,
igr2=1721,1722,
&end
#
# 0 AMB 20-2:1900 0 AMB 20-1:1900 7.00 (# 1900:20 Double Ambig)
&rst
ixpk= 1900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1159,1728,1640,
igr2=1651,1652,1721,1722,1651,1652,
&end
#
# 0 AMB 20-2:1901 0 AMB 20-1:1901 7.00 (# 1901:20 Double Ambig)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1180,1181,1180,1181,
igr2=1651,1652,1651,1652,
&end
#
# 142 TRP HD1 118 GLY HA+ 7.00 (# 1903:20 Unique 2.00, 3.50 A)
&rst
ixpk= 1903, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1721,1722,
&end
#
# 142 TRP HD1 118 GLY HA- 7.00 (# 1907:20 Unique 2.00, 3.50 A)
&rst
ixpk= 1907, nxpk= 20, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1721,1722,
&end
#
# 109 LEU MDY 85 PHE HB- 7.00 (# 1916:20 Unique 3.90, 6.24 A)
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1592,1593,1594,1596,1597,1598,
igr2=1241,1242,
&end
#
# 51 LEU HA 51 LEU HB+ 7.00 (# 1918:20 Unique 2.43, 2.74 A)
&rst
ixpk= 1918, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 733, 734,
&end
#
# 6 LEU HA 51 LEU HB+ 7.00 (# 1919:20 Unique 2.46, 3.21 A)
&rst
ixpk= 1919, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 733, 734,
&end
#
# 51 LEU HN 51 LEU HB+ 7.00 (# 1920:20 Unique 2.47, 3.09 A)
&rst
ixpk= 1920, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 733, 734,
&end
#
# 51 LEU MDY 51 LEU HB- 7.00 (# 1921:20 Unique 2.26, 3.30 A)
&rst
ixpk= 1921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 733, 734,
&end
#
# 51 LEU MDX 51 LEU HB- 5.50 (# 1922:20 Unique 2.26, 3.30 A)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 733, 734,
&end
#
# 51 LEU HA 51 LEU HB- 7.00 (# 1923:20 Unique 2.43, 2.74 A)
&rst
ixpk= 1923, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 733, 734,
&end
#
# 53 ILE HB 89 GLY HA- 7.00 (# 1931:20 Unique 6.14, 7.48 A)
&rst
ixpk= 1931, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1295,1296,
&end
#
# 90 ILE HA 89 GLY HA+ 5.50 (# 1933:20 Unique 4.44, 4.54 A)
&rst
ixpk= 1933, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1295,1296,
&end
#
# 121 LEU HB- 89 GLY HA- 7.00 (# 1940:20 Unique 4.70, 6.10 A)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1759,1760,
igr2=1295,1296,
&end
#
# 36 LEU MDY 36 LEU HB+ 7.00 (# 1942:20 Unique 2.03, 3.22 A)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 507, 508,
&end
#
# 36 LEU MDY 36 LEU HB- 7.00 (# 1943:20 Unique 2.03, 3.22 A)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 507, 508,
&end
#
# 36 LEU MDX 36 LEU HB- 5.50 (# 1944:20 Unique 2.03, 3.22 A)
&rst
ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 507, 508,
&end
#
# 0 AMB 20-2:1945 0 AMB 20-1:1945 7.00 (# 1945:20 Double Ambig)
&rst
ixpk= 1945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 80, 81, 478, 479,
igr2= 507, 508, 507, 508,
&end
#
# 0 AMB 20-2:1946 36 LEU HB- 7.00 (# 1946:20 Single Ambig)
&rst
ixpk= 1946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 80, 81, 478, 479,
igr2= 507, 508,
&end
#
# 36 LEU HN 36 LEU HB+ 7.00 (# 1947:20 Unique 3.35, 3.65 A)
&rst
ixpk= 1947, nxpk= 20, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 507, 508,
&end
#
# 51 LEU HA 86 GLY HA- 7.00 (# 1949:20 Unique 3.06, 3.99 A)
&rst
ixpk= 1949, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1259,1260,
&end
#
# 86 GLY HN 86 GLY HA- 7.00 (# 1951:20 Unique 2.53, 2.76 A)
&rst
ixpk= 1951, nxpk= 20, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1259,1260,
&end
#
# 51 LEU MDY 86 GLY HA- 5.50 (# 1953:20 Unique 2.42, 5.45 A)
&rst
ixpk= 1953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 738, 739, 740, 742, 743, 744,
igr2=1259,1260,
&end
#
# 0 AMB 20-2:1954 110 LYS HE- 4.50 (# 1954:20 Single Ambig)
&rst
ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1609,1610,1692,1693,
igr2=1615,1616,
&end
#
# 116 GLN HB- 110 LYS HE- 7.00 (# 1955:20 Unique 2.00, 3.46 A)
&rst
ixpk= 1955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1692,1693,
igr2=1615,1616,
&end
#
# 87 ALA HN 86 GLY HA+ 4.50 (# 1958:20 Unique 2.14, 2.73 A)
&rst
ixpk= 1958, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1259,1260,
&end
#
# 51 LEU HA 86 GLY HA+ 7.00 (# 1960:20 Unique 3.06, 3.99 A)
&rst
ixpk= 1960, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1259,1260,
&end
#
# 0 AMB 20-2:1961 0 AMB 20-1:1961 7.00 (# 1961:20 Double Ambig)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1344,1345,1547,1548,
igr2=1615,1616,1615,1616,
&end
#
# 0 AMB 20-2:1962 110 LYS HE- 5.50 (# 1962:20 Single Ambig)
&rst
ixpk= 1962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1344,1345,1547,1548,
igr2=1615,1616,
&end
#
# 116 GLN HB- 110 LYS HE+ 7.00 (# 1963:20 Unique 2.00, 3.46 A)
&rst
ixpk= 1963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1692,1693,
igr2=1615,1616,
&end
#
# 0 AMB 20-2:1966 139 LEU HB- 4.50 (# 1966:20 Single Ambig)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2055,2056,2057,2059,2060,2061,1764,1765,1766,1768,
1769,1770,
igr2=2050,2051,
&end
#
# 139 LEU HN 139 LEU HB+ 5.50 (# 1967:20 Unique 2.05, 2.70 A)
&rst
ixpk= 1967, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2050,2051,
&end
#
# 146 LEU HA 146 LEU HB- 4.50 (# 1969:20 Unique 2.25, 2.44 A)
&rst
ixpk= 1969, nxpk= 20, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2160,2161,
&end
#
# 0 AMB 20-2:1970 0 AMB 20-1:1970 4.50 (# 1970:20 Double Ambig)
&rst
ixpk= 1970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
igr1=1533,1534,1535,1537,1538,1539, 940, 941, 942, 944,
945, 946,2163,
igr2=1528,1529,2160,2161,
&end
#
# 146 LEU MDY 146 LEU HB+ 5.50 (# 1971:20 Unique 2.02, 3.22 A)
&rst
ixpk= 1971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2160,2161,
&end
#
# 146 LEU MDX 146 LEU HB+ 7.00 (# 1972:20 Unique 2.02, 3.22 A)
&rst
ixpk= 1972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2160,2161,
&end
#
# 146 LEU MDX 146 LEU HB- 7.00 (# 1973:20 Unique 2.02, 3.22 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2160,2161,
&end
#
# 146 LEU MDX 146 LEU HB+ 7.00 (# 1974:20 Unique 2.02, 3.22 A)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2165,2166,2167,2169,2170,2171,
igr2=2160,2161,
&end
#
# 25 LYS HD+ 25 LYS HE- 5.50 (# 1977:20 Unique 2.22, 2.70 A)
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 348, 349,
igr2= 351, 352,
&end
#
# 70 TYR HB- 105 LEU HB+ 5.50 (# 1981:20 Unique 4.22, 5.89 A)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 999,1000,
igr2=1528,1529,
&end
#
# 70 TYR HB- 105 LEU HB+ 7.00 (# 1982:20 Unique 4.22, 5.89 A)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 999,1000,
igr2=1528,1529,
&end
#
# 3 ASP HA 3 ASP HB- 4.50 (# 1985:20 Unique 2.69, 2.83 A)
&rst
ixpk= 1985, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 35, 36,
&end
#
# 0 AMB 20-2:1988 0 AMB 20-1:1988 5.50 (# 1988:20 Double Ambig)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2156,2102,
igr2=2188,2189,2188,2189,
&end
#
# 0 AMB 20-2:1989 0 AMB 20-1:1989 7.00 (# 1989:20 Double Ambig)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1550,1551,1547,1548,
igr2=1528,1529,1528,1529,
&end
#
# 145 LEU HN 145 LEU HB+ 7.00 (# 1990:20 Unique 2.04, 2.69 A)
&rst
ixpk= 1990, nxpk= 20, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2141,2142,
&end
#
# 105 LEU HN 105 LEU HB- 7.00 (# 1991:20 Unique 2.15, 2.54 A)
&rst
ixpk= 1991, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1528,1529,
&end
#
# 105 LEU HN 105 LEU HB- 5.50 (# 1992:20 Unique 2.15, 2.54 A)
&rst
ixpk= 1992, nxpk= 20, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1528,1529,
&end
#
# 73 LEU HN 73 LEU HB- 7.00 (# 1993:20 Unique 2.29, 2.94 A)
&rst
ixpk= 1993, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:1995 0 AMB 20-1:1995 4.50 (# 1995:20 Double Ambig)
&rst
ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
igr2= 80, 81, 80, 81,
&end
#
# 0 AMB 20-2:1996 0 AMB 20-1:1996 7.00 (# 1996:20 Double Ambig)
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 495, 496, 497, 777, 778, 779,
igr2= 80, 81, 80, 81,
&end
#
# 73 LEU MDX 73 LEU HB+ 7.00 (# 1997:20 Unique 2.29, 3.27 A)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1045,1046,
&end
#
# 41 LEU MDX 73 LEU HB+ 5.50 (# 1998:20 Unique 4.36, 6.23 A)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1045,1046,
&end
#
# 73 LEU HA 73 LEU HB+ 7.00 (# 1999:20 Unique 2.58, 2.79 A)
&rst
ixpk= 1999, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1045,1046,
&end
#
# 74 GLN HN 73 LEU HB+ 5.50 (# 2000:20 Unique 2.35, 2.70 A)
&rst
ixpk= 2000, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1045,1046,
&end
#
# 73 LEU HN 73 LEU HB+ 5.50 (# 2001:20 Unique 2.29, 2.94 A)
&rst
ixpk= 2001, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1045,1046,
&end
#
# 145 LEU HN 145 LEU HB- 7.00 (# 2002:20 Unique 2.04, 2.69 A)
&rst
ixpk= 2002, nxpk= 20, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2141,2142,
&end
#
# 0 AMB 20-2:2003 0 AMB 20-1:2003 7.00 (# 2003:20 Double Ambig)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.53, r4=12.03,
igr1= 696, 697, 413, 414, 415,
igr2= 35, 36, 351, 352,
&end
#
# 32 THR HN 3 ASP HB+ 5.50 (# 2004:20 Unique 2.75, 2.92 A)
&rst
ixpk= 2004, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 35, 36,
&end
#
# 4 ILE HN 3 ASP HB+ 7.00 (# 2005:20 Unique 3.20, 3.52 A)
&rst
ixpk= 2005, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 35, 36,
&end
#
# 3 ASP HN 3 ASP HB+ 7.00 (# 2007:20 Unique 2.44, 2.75 A)
&rst
ixpk= 2007, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 35, 36,
&end
#
# 4 ILE HN 3 ASP HB- 7.00 (# 2008:20 Unique 3.20, 3.52 A)
&rst
ixpk= 2008, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 35, 36,
&end
#
# 3 ASP HN 3 ASP HB- 7.00 (# 2009:20 Unique 2.44, 2.75 A)
&rst
ixpk= 2009, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 35, 36,
&end
#
# 32 THR HN 3 ASP HB- 7.00 (# 2010:20 Unique 2.75, 2.92 A)
&rst
ixpk= 2010, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 35, 36,
&end
#
# 0 AMB 20-2:2011 0 AMB 20-1:2011 2.80 (# 2011:20 Double Ambig)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2146,2147,2148,2150,2151,2152, 166, 167, 168, 170,
171, 172, 569, 570, 571, 573, 574, 575,2144,
igr2=2141,2142, 161, 162, 564, 565,
&end
#
# 0 AMB 20-2:2012 7 ILE HB 5.50 (# 2012:20 Single Ambig)
&rst
ixpk= 2012, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 754, 755, 756, 758, 759, 760, 105, 106,
&end
#
# 0 AMB 20-2:2013 6 LEU HB- 5.50 (# 2013:20 Single Ambig)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1287,1288,1289, 101, 102, 103,
igr2= 80, 81,
&end
#
# 73 LEU HA 73 LEU HB- 5.50 (# 2014:20 Unique 2.58, 2.79 A)
&rst
ixpk= 2014, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:2015 40 LEU HB- 5.50 (# 2015:20 Single Ambig)
&rst
ixpk= 2015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 562, 615,
igr2= 564, 565,
&end
#
# 41 LEU HA 41 LEU HB- 5.50 (# 2016:20 Unique 2.61, 2.84 A)
&rst
ixpk= 2016, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 583, 584,
&end
#
# 74 GLN HN 73 LEU HB- 7.00 (# 2017:20 Unique 2.35, 2.70 A)
&rst
ixpk= 2017, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1045,1046,
&end
#
# 74 GLN HN 73 LEU HB- 7.00 (# 2018:20 Unique 2.35, 2.70 A)
&rst
ixpk= 2018, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1045,1046,
&end
#
# 0 AMB 20-2:2019 73 LEU HB- 5.50 (# 2019:20 Single Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1111,1079,
igr2=1045,1046,
&end
#
# 73 LEU HG 73 LEU HB- 5.50 (# 2020:20 Unique 2.47, 2.75 A)
&rst
ixpk= 2020, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1045,1046,
&end
#
# 44 LEU MDX 44 LEU HB- 7.00 (# 2021:20 Unique 2.37, 3.31 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 629, 630,
&end
#
# 44 LEU MDX 44 LEU HB- 7.00 (# 2022:20 Unique 2.37, 3.31 A)
&rst
ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 629, 630,
&end
#
# 44 LEU MDY 44 LEU HB+ 4.50 (# 2024:20 Unique 2.37, 3.31 A)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 634, 635, 636, 638, 639, 640,
igr2= 629, 630,
&end
#
# 105 LEU MDY 105 LEU HB+ 5.50 (# 2028:20 Unique 2.23, 3.48 A)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1533,1534,1535,1537,1538,1539,
igr2=1528,1529,
&end
#
# 6 LEU MDX 6 LEU HB+ 5.50 (# 2029:20 Unique 2.24, 3.48 A)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 85, 86, 87, 89, 90, 91,
igr2= 80, 81,
&end
#
# 6 LEU HA 6 LEU HB+ 7.00 (# 2030:20 Unique 2.71, 2.83 A)
&rst
ixpk= 2030, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 80, 81,
&end
#
# 145 LEU HA 145 LEU HB- 5.50 (# 2031:20 Unique 2.75, 2.84 A)
&rst
ixpk= 2031, nxpk= 20, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2141,2142,
&end
#
# 44 LEU HN 43 ASP HB+ 7.00 (# 2033:20 Unique 3.29, 3.37 A)
&rst
ixpk= 2033, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 617, 618,
&end
#
# 40 LEU HN 43 ASP HB+ 5.50 (# 2034:20 Unique 5.50, 6.17 A)
&rst
ixpk= 2034, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 617, 618,
&end
#
# 26 LEU HG 26 LEU HB+ 7.00 (# 2035:20 Unique 2.32, 2.44 A)
&rst
ixpk= 2035, nxpk= 20, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 364, 365,
&end
#
# 0 AMB 20-2:2036 0 AMB 20-1:2036 7.00 (# 2036:20 Double Ambig)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 386, 387, 386, 387,
igr2= 364, 365, 364, 365,
&end
#
# 26 LEU HN 26 LEU HB+ 7.00 (# 2037:20 Unique 2.21, 2.87 A)
&rst
ixpk= 2037, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 364, 365,
&end
#
# 145 LEU HA 145 LEU HB- 5.50 (# 2038:20 Unique 2.75, 2.84 A)
&rst
ixpk= 2038, nxpk= 20, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2141,2142,
&end
#
# 0 AMB 20-2:2039 0 AMB 20-1:2039 7.00 (# 2039:20 Double Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 562, 615,
igr2= 564, 565, 564, 565,
&end
#
# 41 LEU MDY 73 LEU HB+ 7.00 (# 2041:20 Unique 4.36, 6.23 A)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1045,1046,
&end
#
# 41 LEU MDX 41 LEU HB- 4.50 (# 2043:20 Unique 1.99, 3.21 A)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 588, 589, 590, 592, 593, 594,
igr2= 583, 584,
&end
#
# 0 AMB 20-2:2046 0 AMB 20-1:2046 4.50 (# 2046:20 Double Ambig)
&rst
ixpk= 2046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 862,1898,
igr2= 864, 865,1900,1901,
&end
#
# 7 ILE MG2 7 ILE HB 4.50 (# 2048:20 Unique 2.35, 2.63 A)
&rst
ixpk= 2048, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 101, 102, 103,
&end
#
# 7 ILE MD1 7 ILE HB 5.50 (# 2049:20 Unique 2.37, 3.13 A)
&rst
ixpk= 2049, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 108, 109, 110,
&end
#
# 88 ILE MD1 88 ILE HB 7.00 (# 2050:20 Unique 2.40, 3.15 A)
&rst
ixpk= 2050, nxpk= 20, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1287,1288,1289,
&end
#
# 109 LEU MDX 109 LEU HB+ 5.50 (# 2051:20 Unique 2.13, 3.31 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1592,1593,1594,1596,1597,1598,
igr2=1587,1588,
&end
#
# 90 ILE MD1 90 ILE HB 4.50 (# 2052:20 Unique 2.47, 3.24 A)
&rst
ixpk= 2052, nxpk= 20, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1313,1314,1315,
&end
#
# 0 AMB 20-2:2053 53 ILE HB 4.50 (# 2053:20 Single Ambig)
&rst
ixpk= 2053, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 242, 243, 244, 246, 247, 248, 85, 86, 87, 89,
90, 91, 85, 86, 87, 89, 90, 91,
&end
#
# 33 THR MG2 4 ILE HB 4.50 (# 2054:20 Unique 2.02, 2.92 A)
&rst
ixpk= 2054, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 466, 467, 468,
&end
#
# 109 LEU MDX 109 LEU HB- 5.50 (# 2055:20 Unique 2.13, 3.31 A)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1592,1593,1594,1596,1597,1598,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:2056 109 LEU HB- 5.50 (# 2056:20 Single Ambig)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1533,1534,1535,1537,1538,1539,1660,1661,1662,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:2057 109 LEU HB- 7.00 (# 2057:20 Single Ambig)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1533,1534,1535,1537,1538,1539,1660,1661,1662,
igr2=1587,1588,
&end
#
# 0 AMB 20-2:2058 109 LEU HB- 7.00 (# 2058:20 Single Ambig)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1545,1585,
igr2=1587,1588,
&end
#
# 91 GLY HA- 96 ASP HB+ 4.50 (# 2059:20 Unique 2.35, 3.88 A)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1321,1322,
igr2=1401,1402,
&end
#
# 0 AMB 20-2:2061 7 ILE HB 5.50 (# 2061:20 Single Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 754, 755, 756, 758, 759, 760, 105, 106,
&end
#
# 0 AMB 20-2:2062 0 AMB 20-1:2062 5.50 (# 2062:20 Double Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1268,1269,1270,1310,1311, 774, 775,
igr2=1304, 768,
&end
#
# 0 AMB 20-2:2063 0 AMB 20-1:2063 7.00 (# 2063:20 Double Ambig)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1545,1585,
igr2=1587,1588,1587,1588,
&end
#
# 88 ILE HG1- 121 LEU HB+ 7.00 (# 2064:20 Unique 1.99, 3.60 A)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1284,1285,
igr2=1759,1760,
&end
#
# 0 AMB 20-2:2065 121 LEU HB- 7.00 (# 2065:20 Single Ambig)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1280,1281,1282,1762,
igr2=1759,1760,
&end
#
# 121 LEU HA 121 LEU HB- 7.00 (# 2066:20 Unique 2.49, 2.80 A)
&rst
ixpk= 2066, nxpk= 20, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1759,1760,
&end
#
# 121 LEU HA 121 LEU HB- 7.00 (# 2067:20 Unique 2.49, 2.80 A)
&rst
ixpk= 2067, nxpk= 20, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1759,1760,
&end
#
# 31 PHE HA 31 PHE HB+ 5.50 (# 2068:20 Unique 2.25, 2.50 A)
&rst
ixpk= 2068, nxpk= 20, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 430, 431,
&end
#
# 3 ASP HB+ 31 PHE HB+ 7.00 (# 2070:20 Unique 2.82, 3.82 A)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 35, 36,
igr2= 430, 431,
&end
#
# 0 AMB 20-2:2071 0 AMB 20-1:2071 7.00 (# 2071:20 Double Ambig)
&rst
ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.53, r4=12.03,
igr1=1415,1416,1417,1918,1919,
igr2=1401,1402,1401,1402,
&end
#
# 0 AMB 20-2:2073 53 ILE HB 4.50 (# 2073:20 Single Ambig)
&rst
ixpk= 2073, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 242, 243, 244, 246, 247, 248, 85, 86, 87, 89,
90, 91,
&end
#
# 123 ILE HG1- 123 ILE HB 5.50 (# 2074:20 Unique 2.51, 2.80 A)
&rst
ixpk= 2074, nxpk= 20, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1806,1807,
&end
#
# 123 ILE HG1- 123 ILE HB 7.00 (# 2075:20 Unique 2.51, 2.80 A)
&rst
ixpk= 2075, nxpk= 20, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1806,1807,
&end
#
# 31 PHE HA 31 PHE HB- 7.00 (# 2080:20 Unique 2.25, 2.50 A)
&rst
ixpk= 2080, nxpk= 20, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 430, 431,
&end
#
# 31 PHE HN 31 PHE HB- 5.50 (# 2081:20 Unique 3.45, 3.51 A)
&rst
ixpk= 2081, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 430, 431,
&end
#
# 31 PHE HN 31 PHE HB+ 7.00 (# 2082:20 Unique 3.45, 3.51 A)
&rst
ixpk= 2082, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 430, 431,
&end
#
# 4 ILE MD1 31 PHE HB- 7.00 (# 2083:20 Unique 3.11, 4.26 A)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 56, 57, 58,
igr2= 430, 431,
&end
#
# 4 ILE MD1 31 PHE HB+ 7.00 (# 2084:20 Unique 3.11, 4.26 A)
&rst
ixpk= 2084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 56, 57, 58,
igr2= 430, 431,
&end
#
# 70 TYR HB- 64 ASP HB+ 5.50 (# 2085:20 Unique 4.15, 5.44 A)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 999,1000,
igr2= 909, 910,
&end
#
# 64 ASP HN 64 ASP HB+ 5.50 (# 2086:20 Unique 2.58, 3.60 A)
&rst
ixpk= 2086, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:2087 0 AMB 20-1:2087 4.50 (# 2087:20 Double Ambig)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 369, 370, 371, 373, 374, 375, 369, 370, 371, 373,
374, 375, 85, 86, 87, 89, 90, 91,
igr2= 298, 299, 298, 299, 298, 299,
&end
#
# 22 LEU HA 22 LEU HB+ 5.50 (# 2089:20 Unique 2.63, 2.81 A)
&rst
ixpk= 2089, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 298, 299,
&end
#
# 22 LEU HG 22 LEU HB- 7.00 (# 2090:20 Unique 2.51, 2.79 A)
&rst
ixpk= 2090, nxpk= 20, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 298, 299,
&end
#
# 22 LEU HA 22 LEU HB- 7.00 (# 2091:20 Unique 2.63, 2.81 A)
&rst
ixpk= 2091, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 298, 299,
&end
#
# 79 ASP HA 79 ASP HB+ 5.50 (# 2094:20 Unique 2.55, 2.79 A)
&rst
ixpk= 2094, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:2095 103 ASP HB- 5.50 (# 2095:20 Single Ambig)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1492,1339,
igr2=1494,1495,
&end
#
# 80 LEU HA 80 LEU HB- 5.50 (# 2096:20 Unique 2.44, 2.74 A)
&rst
ixpk= 2096, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1161,1162,
&end
#
# 0 AMB 20-2:2097 0 AMB 20-1:2097 7.00 (# 2097:20 Double Ambig)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1159,1658,
igr2=1161,1162,1161,1162,
&end
#
# 80 LEU HA 80 LEU HB- 5.50 (# 2098:20 Unique 2.44, 2.74 A)
&rst
ixpk= 2098, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1161,1162,
&end
#
# 0 AMB 20-2:2099 0 AMB 20-1:2099 7.00 (# 2099:20 Double Ambig)
&rst
ixpk= 2099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
igr1=1201,1138,1139,1217,1218,
igr2=1161,1162,1161,1162,1161,1162,
&end
#
# 0 AMB 20-2:2100 80 LEU HB- 7.00 (# 2100:20 Single Ambig)
&rst
ixpk= 2100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1=1201,1138,1139,1217,1218,
igr2=1161,1162,
&end
#
# 114 ALA MB 80 LEU HB+ 7.00 (# 2101:20 Unique 1.97, 3.15 A)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1660,1661,1662,
igr2=1161,1162,
&end
#
# 114 ALA MB 80 LEU HB- 7.00 (# 2102:20 Unique 1.97, 3.15 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1660,1661,1662,
igr2=1161,1162,
&end
#
# 0 AMB 20-2:2103 0 AMB 20-1:2103 5.50 (# 2103:20 Double Ambig)
&rst
ixpk= 2103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 296, 315,
igr2= 298, 299, 298, 299,
&end
#
# 105 LEU MDX 70 TYR HB- 7.00 (# 2105:20 Unique 2.62, 5.15 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1533,1534,1535,1537,1538,1539,
igr2= 999,1000,
&end
#
# 105 LEU MDX 70 TYR HB+ 7.00 (# 2106:20 Unique 2.62, 5.15 A)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1533,1534,1535,1537,1538,1539,
igr2= 999,1000,
&end
#
# 70 TYR HA 70 TYR HB+ 7.00 (# 2107:20 Unique 2.23, 2.56 A)
&rst
ixpk= 2107, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 999,1000,
&end
#
# 0 AMB 20-2:2110 0 AMB 20-1:2110 7.00 (# 2110:20 Double Ambig)
&rst
ixpk= 2110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1=1141, 660,1642,1643,
igr2=1149,1150,1149,1150,1149,1150,
&end
#
# 70 TYR HN 70 TYR HB+ 7.00 (# 2116:20 Unique 2.07, 2.64 A)
&rst
ixpk= 2116, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 999,1000,
&end
#
# 4 ILE HG1- 49 ILE HB 5.50 (# 2121:20 Unique 1.97, 2.85 A)
&rst
ixpk= 2121, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 53, 54,
&end
#
# 49 ILE HG1- 49 ILE HB 5.50 (# 2122:20 Unique 2.43, 2.46 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 696, 697,
&end
#
# 49 ILE HA 49 ILE HB 5.50 (# 2124:20 Unique 2.97, 3.00 A)
&rst
ixpk= 2124, nxpk= 20, iat= 688, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2126 49 ILE HB 5.50 (# 2126:20 Single Ambig)
&rst
ixpk= 2126, nxpk= 20, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 49, 50, 51, 692, 693, 694,
&end
#
# 95 TYR HA 95 TYR HB- 7.00 (# 2128:20 Unique 2.49, 2.83 A)
&rst
ixpk= 2128, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1380,1381,
&end
#
# 70 TYR HD 69 PHE HB+ 7.00 (# 2132:20 Unique 5.52, 6.72 A)
&rst
ixpk= 2132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1003,1012,
igr2= 979, 980,
&end
#
# 70 TYR HN 69 PHE HB+ 5.50 (# 2134:20 Unique 2.06, 2.61 A)
&rst
ixpk= 2134, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 979, 980,
&end
#
# 69 PHE HA 69 PHE HB+ 5.50 (# 2135:20 Unique 2.71, 2.84 A)
&rst
ixpk= 2135, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 979, 980,
&end
#
# 66 LEU MDX 69 PHE HB+ 7.00 (# 2136:20 Unique 1.96, 4.00 A)
&rst
ixpk= 2136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 979, 980,
&end
#
# 69 PHE HA 69 PHE HB- 5.50 (# 2138:20 Unique 2.71, 2.84 A)
&rst
ixpk= 2138, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 979, 980,
&end
#
# 66 LEU MDX 69 PHE HB- 7.00 (# 2139:20 Unique 1.96, 4.00 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 979, 980,
&end
#
# 109 LEU MDY 69 PHE HB- 7.00 (# 2140:20 Unique 5.25, 7.28 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1592,1593,1594,1596,1597,1598,
igr2= 979, 980,
&end
#
# 145 LEU MDX 0 AMB 20-1:2146 7.00 (# 2146:20 Single Ambig)
&rst
ixpk= 2146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1=2146,2147,2148,2150,2151,2152,
igr2=2127,2128,2127,2128,
&end
#
# 0 AMB 20-2:2147 0 AMB 20-1:2147 7.00 (# 2147:20 Double Ambig)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=2179,2180,2179,2180,2141,2142,
igr2=2127,2128,2127,2128,2127,2128,
&end
#
# 0 AMB 20-2:2148 0 AMB 20-1:2148 7.00 (# 2148:20 Double Ambig)
&rst
ixpk= 2148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=2179,2180,2179,2180,
igr2=2127,2128,2127,2128,
&end
#
# 146 LEU HN 0 AMB 20-1:2149 7.00 (# 2149:20 Single Ambig)
&rst
ixpk= 2149, nxpk= 20, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=2127,2128,2127,2128,
&end
#
# 0 AMB 20-2:2150 0 AMB 20-1:2150 4.50 (# 2150:20 Double Ambig)
&rst
ixpk= 2150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2132,2133,2132,2133,2137,
igr2=2127,2128,2127,2128,
&end
#
# 130 ILE HG1- 130 ILE HB 4.50 (# 2155:20 Unique 2.44, 2.62 A)
&rst
ixpk= 2155, nxpk= 20, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1918,1919,
&end
#
# 130 ILE HA 130 ILE HB 5.50 (# 2158:20 Unique 2.97, 2.98 A)
&rst
ixpk= 2158, nxpk= 20, iat=1910,1912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 ILE HN 130 ILE HB 7.00 (# 2160:20 Unique 2.22, 2.66 A)
&rst
ixpk= 2160, nxpk= 20, iat=1908,1912, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 111 ASN HD2+ 111 ASN HB+ 7.00 (# 2163:20 Unique 2.19, 3.29 A)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1633,1634,
igr2=1628,1629,
&end
#
# 111 ASN HD2+ 111 ASN HB- 7.00 (# 2164:20 Unique 2.19, 3.29 A)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1633,1634,
igr2=1628,1629,
&end
#
# 112 SER HN 111 ASN HB+ 5.50 (# 2167:20 Unique 3.31, 3.86 A)
&rst
ixpk= 2167, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1628,1629,
&end
#
# 144 ASN HA 0 AMB 20-1:2168 3.50 (# 2168:20 Single Ambig)
&rst
ixpk= 2168, nxpk= 20, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2127,2128,2127,2128,
&end
#
# 71 GLU HB+ 71 GLU HG- 2.80 (# 2176:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1020,1021,
igr2=1023,1024,
&end
#
# 35 THR MG2 20 GLU HG+ 5.50 (# 2177:20 Unique 3.24, 5.38 A)
&rst
ixpk= 2177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 495, 496, 497,
igr2= 269, 270,
&end
#
# 35 THR MG2 20 GLU HG+ 7.00 (# 2178:20 Unique 3.24, 5.38 A)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 495, 496, 497,
igr2= 269, 270,
&end
#
# 0 AMB 20-2:2180 0 AMB 20-1:2180 4.50 (# 2180:20 Double Ambig)
&rst
ixpk= 2180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1994,2067,2068,
igr2=1999,2000,1999,2000,
&end
#
# 0 AMB 20-2:2181 0 AMB 20-1:2181 4.50 (# 2181:20 Double Ambig)
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 264, 325,
igr2= 269, 270, 330, 331,
&end
#
# 21 HIS HA 0 AMB 20-1:2182 7.00 (# 2182:20 Single Ambig)
&rst
ixpk= 2182, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 269, 270, 330, 331,
&end
#
# 20 GLU HN 20 GLU HG+ 5.50 (# 2185:20 Unique 3.84, 4.17 A)
&rst
ixpk= 2185, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 269, 270,
&end
#
# 137 GLU HN 136 GLU HG+ 7.00 (# 2186:20 Unique 2.09, 2.83 A)
&rst
ixpk= 2186, nxpk= 20, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1999,2000,
&end
#
# 0 AMB 20-2:2187 0 AMB 20-1:2187 4.50 (# 2187:20 Double Ambig)
&rst
ixpk= 2187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2009, 600,
igr2=2014,2015, 605, 606,
&end
#
# 70 TYR HD 71 GLU HG- 7.00 (# 2188:20 Unique 2.33, 4.62 A)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1003,1012,
igr2=1023,1024,
&end
#
# 70 TYR HD 71 GLU HG+ 5.50 (# 2189:20 Unique 2.33, 4.62 A)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1003,1012,
igr2=1023,1024,
&end
#
# 0 AMB 20-2:2190 0 AMB 20-1:2190 4.50 (# 2190:20 Double Ambig)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 340, 396,
igr2= 401, 402, 401, 402,
&end
#
# 24 GLU HA 27 GLU HG+ 5.50 (# 2191:20 Unique 3.60, 4.57 A)
&rst
ixpk= 2191, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 71 GLU HN 71 GLU HG- 5.50 (# 2192:20 Unique 2.95, 3.12 A)
&rst
ixpk= 2192, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1023,1024,
&end
#
# 0 AMB 20-2:2193 0 AMB 20-1:2193 7.00 (# 2193:20 Double Ambig)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 995,1077,
igr2=1023,1024,1023,1024,
&end
#
# 65 ASN HD2+ 65 ASN HB- 5.50 (# 2195:20 Unique 2.43, 3.49 A)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 926, 927,
igr2= 921, 922,
&end
#
# 65 ASN HD2+ 65 ASN HB+ 7.00 (# 2196:20 Unique 2.43, 3.49 A)
&rst
ixpk= 2196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 926, 927,
igr2= 921, 922,
&end
#
# 66 LEU HN 65 ASN HB- 7.00 (# 2197:20 Unique 1.93, 3.16 A)
&rst
ixpk= 2197, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 921, 922,
&end
#
# 35 THR HA 0 AMB 20-1:2198 7.00 (# 2198:20 Single Ambig)
&rst
ixpk= 2198, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 386, 387, 386, 387,
&end
#
# 33 THR MG2 0 AMB 20-1:2199 4.50 (# 2199:20 Single Ambig)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 466, 467, 468,
igr2= 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:2200 0 AMB 20-1:2200 7.00 (# 2200:20 Double Ambig)
&rst
ixpk= 2200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 394, 426, 474,
igr2= 386, 387, 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:2201 0 AMB 20-1:2201 7.00 (# 2201:20 Double Ambig)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1721,1722,1033,
igr2=1733,1734,1084,1085,
&end
#
# 120 THR HN 119 GLU HG+ 7.00 (# 2203:20 Unique 4.28, 4.55 A)
&rst
ixpk= 2203, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1733,1734,
&end
#
# 27 GLU HN 28 GLU HG+ 7.00 (# 2207:20 Unique 4.28, 5.52 A)
&rst
ixpk= 2207, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 401, 402,
&end
#
# 108 GLU HN 108 GLU HG- 5.50 (# 2208:20 Unique 2.56, 3.30 A)
&rst
ixpk= 2208, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1575,1576,
&end
#
# 118 GLY HA+ 119 GLU HG+ 5.50 (# 2209:20 Unique 3.00, 4.77 A)
&rst
ixpk= 2209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1721,1722,
igr2=1733,1734,
&end
#
# 108 GLU HA 108 GLU HG+ 5.50 (# 2210:20 Unique 3.00, 3.34 A)
&rst
ixpk= 2210, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1575,1576,
&end
#
# 40 LEU MDX 42 GLU HG- 5.50 (# 2211:20 Unique 5.13, 7.03 A)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 569, 570, 571, 573, 574, 575,
igr2= 605, 606,
&end
#
# 0 AMB 20-2:2212 0 AMB 20-1:2212 7.00 (# 2212:20 Double Ambig)
&rst
ixpk= 2212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.61, r4=14.11,
igr1=1747,1748,1749, 569, 570, 571, 573, 574, 575,
igr2=1344,1345, 605, 606, 605, 606,
&end
#
# 0 AMB 20-2:2213 0 AMB 20-1:2213 7.00 (# 2213:20 Double Ambig)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 625,1109,
igr2= 605, 606, 605, 606,1084,1085,
&end
#
# 43 ASP HN 0 AMB 20-1:2214 7.00 (# 2214:20 Single Ambig)
&rst
ixpk= 2214, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 605, 606, 605, 606,
&end
#
# 0 AMB 20-2:2216 0 AMB 20-1:2216 5.50 (# 2216:20 Double Ambig)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1018,1721,1722,
igr2=1023,1024,1733,1734,
&end
#
# 0 AMB 20-2:2218 0 AMB 20-1:2218 4.50 (# 2218:20 Double Ambig)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1745, 325,
igr2=1344,1345, 401, 402,
&end
#
# 120 THR HB 93 ARG HG- 4.50 (# 2219:20 Unique 3.00, 4.73 A)
&rst
ixpk= 2219, nxpk= 20, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1344,1345,
&end
#
# 35 THR HN 34 GLU HG- 5.50 (# 2220:20 Unique 3.36, 4.19 A)
&rst
ixpk= 2220, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:2221 0 AMB 20-1:2221 7.00 (# 2221:20 Double Ambig)
&rst
ixpk= 2221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
igr1= 512, 513, 514, 516, 517, 518,1050,1051,1052,1054,
1055,1056,
igr2= 481, 482,1575,1576,
&end
#
# 94 GLU HA 94 GLU HG- 7.00 (# 2222:20 Unique 2.06, 3.08 A)
&rst
ixpk= 2222, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1368,1369,
&end
#
# 94 GLU HA 94 GLU HG+ 7.00 (# 2223:20 Unique 2.06, 3.08 A)
&rst
ixpk= 2223, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1368,1369,
&end
#
# 116 GLN HE2- 106 GLU HG+ 5.50 (# 2229:20 Unique 3.86, 6.01 A)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1700,1701,
igr2=1550,1551,
&end
#
# 16 GLU HA 16 GLU HG+ 5.50 (# 2230:20 Unique 3.56, 3.81 A)
&rst
ixpk= 2230, nxpk= 20, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 207, 208,
&end
#
# 116 GLN HE2- 106 GLU HG- 7.00 (# 2234:20 Unique 3.86, 6.01 A)
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1700,1701,
igr2=1550,1551,
&end
#
# 109 LEU HN 106 GLU HG+ 7.00 (# 2235:20 Unique 5.30, 6.20 A)
&rst
ixpk= 2235, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1550,1551,
&end
#
# 0 AMB 20-2:2236 0 AMB 20-1:2236 7.00 (# 2236:20 Double Ambig)
&rst
ixpk= 2236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 720,1249, 722,
igr2= 605, 606, 605, 606,1550,1551, 605, 606,
&end
#
# 0 AMB 20-2:2238 75 GLU HG- 2.80 (# 2238:20 Single Ambig)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1081,1082,1081,1082,
igr2=1084,1085,
&end
#
# 122 LYS HA 122 LYS HB+ 7.00 (# 2239:20 Unique 2.35, 2.71 A)
&rst
ixpk= 2239, nxpk= 20, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1778,1779,
&end
#
# 112 SER HB- 76 GLN HG- 7.00 (# 2240:20 Unique 6.08, 6.77 A)
&rst
ixpk= 2240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1642,1643,
igr2=1099,1100,
&end
#
# 112 SER HB- 76 GLN HG+ 7.00 (# 2241:20 Unique 6.08, 6.77 A)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1642,1643,
igr2=1099,1100,
&end
#
# 108 GLU HG- 74 GLN HG+ 5.50 (# 2242:20 Unique 2.19, 3.83 A)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1575,1576,
igr2=1067,1068,
&end
#
# 74 GLN HE2+ 74 GLN HG+ 5.50 (# 2243:20 Unique 2.15, 3.24 A)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1072,1073,
igr2=1067,1068,
&end
#
# 147 LYS HN 147 LYS HB- 5.50 (# 2244:20 Unique 2.07, 2.71 A)
&rst
ixpk= 2244, nxpk= 20, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2179,2180,
&end
#
# 74 GLN HN 74 GLN HG+ 5.50 (# 2245:20 Unique 2.19, 2.34 A)
&rst
ixpk= 2245, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1067,1068,
&end
#
# 74 GLN HN 74 GLN HG+ 5.50 (# 2246:20 Unique 2.19, 2.34 A)
&rst
ixpk= 2246, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1067,1068,
&end
#
# 0 AMB 20-2:2247 74 GLN HG- 7.00 (# 2247:20 Single Ambig)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1077, 995,
igr2=1067,1068,
&end
#
# 147 LYS HA 147 LYS HB+ 7.00 (# 2249:20 Unique 2.78, 2.85 A)
&rst
ixpk= 2249, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2179,2180,
&end
#
# 74 GLN HN 74 GLN HG- 5.50 (# 2250:20 Unique 2.19, 2.34 A)
&rst
ixpk= 2250, nxpk= 20, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1067,1068,
&end
#
# 5 THR HA 34 GLU HB- 7.00 (# 2251:20 Unique 3.52, 3.64 A)
&rst
ixpk= 2251, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 478, 479,
&end
#
# 34 GLU HN 34 GLU HB- 7.00 (# 2253:20 Unique 2.52, 2.83 A)
&rst
ixpk= 2253, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 478, 479,
&end
#
# 36 LEU MDY 34 GLU HB- 7.00 (# 2254:20 Unique 2.27, 4.34 A)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 478, 479,
&end
#
# 7 ILE MD1 50 TRP HB+ 7.00 (# 2256:20 Unique 3.14, 4.98 A)
&rst
ixpk= 2256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 108, 109, 110,
igr2= 709, 710,
&end
#
# 0 AMB 20-2:2257 50 TRP HB- 7.00 (# 2257:20 Single Ambig)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1203,1204,1205,1207,1208,1209, 108, 109, 110,
igr2= 709, 710,
&end
#
# 83 VAL MGY 50 TRP HB+ 7.00 (# 2258:20 Unique 2.68, 5.04 A)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1203,1204,1205,1207,1208,1209,
igr2= 709, 710,
&end
#
# 85 PHE HB- 50 TRP HB+ 7.00 (# 2259:20 Unique 3.29, 4.86 A)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1241,1242,
igr2= 709, 710,
&end
#
# 50 TRP HA 50 TRP HB+ 7.00 (# 2261:20 Unique 2.57, 2.80 A)
&rst
ixpk= 2261, nxpk= 20, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 709, 710,
&end
#
# 50 TRP HA 50 TRP HB- 7.00 (# 2262:20 Unique 2.57, 2.80 A)
&rst
ixpk= 2262, nxpk= 20, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 709, 710,
&end
#
# 51 LEU HN 50 TRP HB+ 7.00 (# 2263:20 Unique 3.68, 4.09 A)
&rst
ixpk= 2263, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 709, 710,
&end
#
# 51 LEU HN 50 TRP HB- 7.00 (# 2264:20 Unique 3.68, 4.09 A)
&rst
ixpk= 2264, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 709, 710,
&end
#
# 116 GLN HB+ 116 GLN HG+ 7.00 (# 2266:20 Unique 2.29, 2.72 A)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1692,1693,
igr2=1695,1696,
&end
#
# 116 GLN HB+ 116 GLN HG+ 5.50 (# 2267:20 Unique 2.29, 2.72 A)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1692,1693,
igr2=1695,1696,
&end
#
# 0 AMB 20-2:2268 0 AMB 20-1:2268 7.00 (# 2268:20 Double Ambig)
&rst
ixpk= 2268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1690,1259,1260,
igr2=1695,1696,1695,1696,
&end
#
# 117 THR HN 116 GLN HG+ 7.00 (# 2269:20 Unique 2.84, 3.39 A)
&rst
ixpk= 2269, nxpk= 20, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1695,1696,
&end
#
# 116 GLN HB- 116 GLN HG- 7.00 (# 2270:20 Unique 2.29, 2.72 A)
&rst
ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1692,1693,
igr2=1695,1696,
&end
#
# 0 AMB 20-2:2272 0 AMB 20-1:2272 5.50 (# 2272:20 Double Ambig)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1132,1133,1526,
igr2=1138,1139,1506,1507,
&end
#
# 131 PRO HA 131 PRO HB+ 5.50 (# 2274:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2274, nxpk= 20, iat=1937, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1934,1935,
&end
#
# 0 AMB 20-2:2275 0 AMB 20-1:2275 7.00 (# 2275:20 Double Ambig)
&rst
ixpk= 2275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
igr1= 681, 682,1159,1189,1881,
igr2=1201,1138,1139,1934,1935,
&end
#
# 79 ASP HN 78 PRO HB- 5.50 (# 2276:20 Unique 2.06, 2.68 A)
&rst
ixpk= 2276, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1138,1139,
&end
#
# 79 ASP HN 78 PRO HB+ 7.00 (# 2277:20 Unique 2.06, 2.68 A)
&rst
ixpk= 2277, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1138,1139,
&end
#
# 78 PRO HD+ 78 PRO HB+ 7.00 (# 2278:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1132,1133,
igr2=1138,1139,
&end
#
# 40 LEU HN 39 PRO HB+ 7.00 (# 2279:20 Unique 2.84, 3.37 A)
&rst
ixpk= 2279, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 553, 554,
&end
#
# 131 PRO HA 131 PRO HB- 5.50 (# 2280:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2280, nxpk= 20, iat=1937, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1934,1935,
&end
#
# 131 PRO HA 131 PRO HB- 7.00 (# 2281:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2281, nxpk= 20, iat=1937, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1934,1935,
&end
#
# 107 ALA HA 0 AMB 20-1:2282 7.00 (# 2282:20 Single Ambig)
&rst
ixpk= 2282, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1606,1607,1606,1607,
&end
#
# 111 ASN HN 0 AMB 20-1:2283 7.00 (# 2283:20 Single Ambig)
&rst
ixpk= 2283, nxpk= 20, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1606,1607,1606,1607,
&end
#
# 46 ALA HN 45 PRO HB- 5.50 (# 2284:20 Unique 1.93, 2.56 A)
&rst
ixpk= 2284, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 651, 652,
&end
#
# 80 LEU HN 78 PRO HB+ 7.00 (# 2285:20 Unique 4.56, 5.45 A)
&rst
ixpk= 2285, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1138,1139,
&end
#
# 120 THR HN 119 GLU HB+ 7.00 (# 2286:20 Unique 2.29, 2.95 A)
&rst
ixpk= 2286, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1730,1731,
&end
#
# 0 AMB 20-2:2289 0 AMB 20-1:2289 5.50 (# 2289:20 Double Ambig)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 569, 570, 571, 573, 574, 575, 166, 167, 168, 170,
171, 172,
igr2= 553, 554, 553, 554,
&end
#
# 0 AMB 20-2:2290 0 AMB 20-1:2290 7.00 (# 2290:20 Double Ambig)
&rst
ixpk= 2290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.28, r4=14.78,
igr1=1747,1748,1749,1533,1534,1535,1537,1538,1539,1921,
1922,1923,
igr2=1934,1935,1506,1507,1934,1935,
&end
#
# 140 GLY HA- 143 VAL HB 7.00 (# 2291:20 Unique 2.80, 3.71 A)
&rst
ixpk= 2291, nxpk= 20, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2067,2068,
&end
#
# 120 THR HN 119 GLU HB- 7.00 (# 2292:20 Unique 2.29, 2.95 A)
&rst
ixpk= 2292, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1730,1731,
&end
#
# 45 PRO HD+ 45 PRO HB- 7.00 (# 2294:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 645, 646,
igr2= 651, 652,
&end
#
# 45 PRO HD+ 45 PRO HB+ 7.00 (# 2295:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 645, 646,
igr2= 651, 652,
&end
#
# 46 ALA HA 45 PRO HB- 7.00 (# 2296:20 Unique 4.38, 5.02 A)
&rst
ixpk= 2296, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 651, 652,
&end
#
# 47 SER HN 45 PRO HB- 5.50 (# 2299:20 Unique 3.51, 4.24 A)
&rst
ixpk= 2299, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 651, 652,
&end
#
# 47 SER HN 45 PRO HB- 5.50 (# 2300:20 Unique 3.51, 4.24 A)
&rst
ixpk= 2300, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 651, 652,
&end
#
# 45 PRO HD- 45 PRO HB- 5.50 (# 2301:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 645, 646,
igr2= 651, 652,
&end
#
# 45 PRO HD- 45 PRO HB+ 7.00 (# 2302:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 645, 646,
igr2= 651, 652,
&end
#
# 46 ALA HN 45 PRO HB+ 7.00 (# 2303:20 Unique 1.93, 2.56 A)
&rst
ixpk= 2303, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 651, 652,
&end
#
# 0 AMB 20-2:2304 143 VAL HB 5.50 (# 2304:20 Single Ambig)
&rst
ixpk= 2304, nxpk= 20, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 369, 370, 371, 373, 374, 375, 369, 370, 371, 373,
374, 375,2146,2147,2148,2150,2151,2152,
&end
#
# 144 ASN HN 143 VAL HB 5.50 (# 2306:20 Unique 2.36, 2.43 A)
&rst
ixpk= 2306, nxpk= 20, iat=2123,2111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2307 6 LEU HG 5.50 (# 2307:20 Single Ambig)
&rst
ixpk= 2307, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 495, 496, 497, 738, 739, 740, 742, 743, 744,
&end
#
# 25 LYS HG+ 25 LYS HB- 5.50 (# 2308:20 Unique 2.33, 2.55 A)
&rst
ixpk= 2308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 345, 346,
igr2= 342, 343,
&end
#
# 25 LYS HG+ 25 LYS HB+ 5.50 (# 2309:20 Unique 2.33, 2.55 A)
&rst
ixpk= 2309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 345, 346,
igr2= 342, 343,
&end
#
# 0 AMB 20-2:2310 0 AMB 20-1:2310 5.50 (# 2310:20 Double Ambig)
&rst
ixpk= 2310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 256, 257, 258, 774, 775,1116,1117,
igr2= 240,1081,1082,
&end
#
# 25 LYS HG- 25 LYS HB- 4.50 (# 2311:20 Unique 2.33, 2.55 A)
&rst
ixpk= 2311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 345, 346,
igr2= 342, 343,
&end
#
# 139 LEU MDY 25 LYS HB- 5.50 (# 2312:20 Unique 2.10, 4.28 A)
&rst
ixpk= 2312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2055,2056,2057,2059,2060,2061,
igr2= 342, 343,
&end
#
# 139 LEU MDY 25 LYS HB+ 7.00 (# 2313:20 Unique 2.10, 4.28 A)
&rst
ixpk= 2313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2055,2056,2057,2059,2060,2061,
igr2= 342, 343,
&end
#
# 0 AMB 20-2:2314 0 AMB 20-1:2314 4.50 (# 2314:20 Double Ambig)
&rst
ixpk= 2314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 362,1094,
igr2= 342, 343,1113,1114,
&end
#
# 0 AMB 20-2:2319 6 LEU HG 3.50 (# 2319:20 Single Ambig)
&rst
ixpk= 2319, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
&end
#
# 0 AMB 20-2:2320 6 LEU HG 7.00 (# 2320:20 Single Ambig)
&rst
ixpk= 2320, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 256, 257, 258, 510, 774, 775,
&end
#
# 128 HIS HA 128 HIS HB+ 7.00 (# 2322:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2322, nxpk= 20, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1883,1884,
&end
#
# 69 PHE HN 68 PRO HB+ 7.00 (# 2325:20 Unique 3.02, 3.57 A)
&rst
ixpk= 2325, nxpk= 20, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 968, 969,
&end
#
# 0 AMB 20-2:2326 75 GLU HB- 7.00 (# 2326:20 Single Ambig)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1067,1068,1045,1046,
igr2=1081,1082,
&end
#
# 121 LEU MDX 138 TRP HB+ 5.50 (# 2328:20 Unique 2.02, 4.33 A)
&rst
ixpk= 2328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1764,1765,1766,1768,1769,1770,
igr2=2026,2027,
&end
#
# 142 TRP HE3 138 TRP HB+ 7.00 (# 2330:20 Unique 5.46, 6.30 A)
&rst
ixpk= 2330, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2026,2027,
&end
#
# 142 TRP HE3 138 TRP HB+ 7.00 (# 2331:20 Unique 5.46, 6.30 A)
&rst
ixpk= 2331, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2026,2027,
&end
#
# 138 TRP HN 138 TRP HB+ 4.50 (# 2332:20 Unique 2.08, 2.73 A)
&rst
ixpk= 2332, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2026,2027,
&end
#
# 0 AMB 20-2:2333 0 AMB 20-1:2333 7.00 (# 2333:20 Double Ambig)
&rst
ixpk= 2333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=2046,2030,2041,
igr2=2026,2027,2026,2027,2026,2027,
&end
#
# 94 GLU HN 94 GLU HB+ 5.50 (# 2335:20 Unique 2.40, 3.30 A)
&rst
ixpk= 2335, nxpk= 20, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1365,1366,
&end
#
# 74 GLN HA 74 GLN HB- 4.50 (# 2336:20 Unique 2.33, 2.67 A)
&rst
ixpk= 2336, nxpk= 20, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1064,1065,
&end
#
# 94 GLU HA 94 GLU HB+ 4.50 (# 2337:20 Unique 2.24, 2.76 A)
&rst
ixpk= 2337, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1365,1366,
&end
#
# 74 GLN HA 74 GLN HB+ 5.50 (# 2338:20 Unique 2.33, 2.67 A)
&rst
ixpk= 2338, nxpk= 20, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1064,1065,
&end
#
# 0 AMB 20-2:2339 0 AMB 20-1:2339 5.50 (# 2339:20 Double Ambig)
&rst
ixpk= 2339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1079,1321,1322,1413,1560,
igr2=1064,1065,1341,1342,
&end
#
# 77 LYS HA 77 LYS HB+ 4.50 (# 2340:20 Unique 2.61, 2.81 A)
&rst
ixpk= 2340, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1113,1114,
&end
#
# 136 GLU HA 136 GLU HB+ 3.50 (# 2347:20 Unique 2.38, 2.45 A)
&rst
ixpk= 2347, nxpk= 20, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1996,1997,
&end
#
# 0 AMB 20-2:2349 0 AMB 20-1:2349 5.50 (# 2349:20 Double Ambig)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1587,1588,1268,1269,1270,
igr2=1547,1548,1547,1548,
&end
#
# 0 AMB 20-2:2350 0 AMB 20-1:2350 7.00 (# 2350:20 Double Ambig)
&rst
ixpk= 2350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.05, r4=13.55,
igr1= 348, 349,1562,1563,1564, 348, 349,
igr2= 398, 399,1547,1548,1996,1997,
&end
#
# 0 AMB 20-2:2351 110 LYS HD- 5.50 (# 2351:20 Single Ambig)
&rst
ixpk= 2351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1615,1616,1615,1616,
igr2=1612,1613,
&end
#
# 21 HIS HA 24 GLU HB+ 5.50 (# 2352:20 Unique 2.73, 3.17 A)
&rst
ixpk= 2352, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 327, 328,
&end
#
# 73 LEU MDY 108 GLU HB- 7.00 (# 2353:20 Unique 2.42, 4.31 A)
&rst
ixpk= 2353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1572,1573,
&end
#
# 0 AMB 20-2:2354 0 AMB 20-1:2354 7.00 (# 2354:20 Double Ambig)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 348, 349, 348, 349,
igr2= 327, 328, 398, 399,
&end
#
# 0 AMB 20-2:2355 0 AMB 20-1:2355 7.00 (# 2355:20 Double Ambig)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1330,1331,1526,
igr2=1612,1613,1612,1613,1612,1613,
&end
#
# 73 LEU MDY 108 GLU HB+ 7.00 (# 2356:20 Unique 2.42, 4.31 A)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1572,1573,
&end
#
# 0 AMB 20-2:2357 108 GLU HB- 4.50 (# 2357:20 Single Ambig)
&rst
ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1526,1642,1643,
igr2=1572,1573,
&end
#
# 74 GLN HE2+ 108 GLU HB- 7.00 (# 2358:20 Unique 3.82, 4.90 A)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1072,1073,
igr2=1572,1573,
&end
#
# 0 AMB 20-2:2359 0 AMB 20-1:2359 7.00 (# 2359:20 Double Ambig)
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1072,1073,1072,1073,
igr2=1064,1065,1572,1573,
&end
#
# 0 AMB 20-2:2360 0 AMB 20-1:2360 3.50 (# 2360:20 Double Ambig)
&rst
ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 330, 331, 401, 402,
igr2= 327, 328, 398, 399,
&end
#
# 24 GLU HN 24 GLU HB- 4.50 (# 2361:20 Unique 2.27, 2.53 A)
&rst
ixpk= 2361, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 327, 328,
&end
#
# 73 LEU MDY 108 GLU HB- 7.00 (# 2362:20 Unique 2.42, 4.31 A)
&rst
ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1572,1573,
&end
#
# 0 AMB 20-2:2363 108 GLU HB- 5.50 (# 2363:20 Single Ambig)
&rst
ixpk= 2363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1119,1120,1562,1563,1564,
igr2=1572,1573,
&end
#
# 112 SER HA 108 GLU HB- 7.00 (# 2364:20 Unique 5.51, 6.41 A)
&rst
ixpk= 2364, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1572,1573,
&end
#
# 27 GLU HN 0 AMB 20-1:2365 7.00 (# 2365:20 Single Ambig)
&rst
ixpk= 2365, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 398, 399, 327, 328,
&end
#
# 20 GLU HN 24 GLU HB+ 7.00 (# 2366:20 Unique 6.70, 7.27 A)
&rst
ixpk= 2366, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 327, 328,
&end
#
# 0 AMB 20-2:2367 0 AMB 20-1:2367 7.00 (# 2367:20 Double Ambig)
&rst
ixpk= 2367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 995,1077,
igr2=1020,1021,1020,1021,1572,1573,
&end
#
# 109 LEU HN 108 GLU HB- 7.00 (# 2368:20 Unique 2.71, 3.15 A)
&rst
ixpk= 2368, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1572,1573,
&end
#
# 109 LEU HN 108 GLU HB- 7.00 (# 2369:20 Unique 2.71, 3.15 A)
&rst
ixpk= 2369, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1572,1573,
&end
#
# 20 GLU HN 20 GLU HB+ 7.00 (# 2370:20 Unique 2.07, 2.58 A)
&rst
ixpk= 2370, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 266, 267,
&end
#
# 106 GLU HN 106 GLU HB+ 4.50 (# 2372:20 Unique 2.16, 3.02 A)
&rst
ixpk= 2372, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1547,1548,
&end
#
# 0 AMB 20-2:2373 0 AMB 20-1:2373 4.50 (# 2373:20 Double Ambig)
&rst
ixpk= 2373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1679,1680,1122,1123,
igr2=1676,1677,1119,1120,
&end
#
# 18 VAL HA 21 HIS HB+ 5.50 (# 2374:20 Unique 2.52, 3.30 A)
&rst
ixpk= 2374, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 281, 282,
&end
#
# 18 VAL HA 21 HIS HB- 5.50 (# 2375:20 Unique 2.52, 3.30 A)
&rst
ixpk= 2375, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 281, 282,
&end
#
# 21 HIS HA 21 HIS HB+ 7.00 (# 2376:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2376, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 281, 282,
&end
#
# 21 HIS HA 21 HIS HB- 7.00 (# 2377:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2377, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 281, 282,
&end
#
# 21 HIS HN 21 HIS HB+ 5.50 (# 2378:20 Unique 2.41, 2.53 A)
&rst
ixpk= 2378, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 281, 282,
&end
#
# 24 GLU HA 24 GLU HB- 3.50 (# 2379:20 Unique 2.40, 2.74 A)
&rst
ixpk= 2379, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 327, 328,
&end
#
# 20 GLU HN 0 AMB 20-1:2381 7.00 (# 2381:20 Single Ambig)
&rst
ixpk= 2381, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 266, 267, 266, 267,
&end
#
# 20 GLU HN 20 GLU HB- 7.00 (# 2382:20 Unique 2.07, 2.58 A)
&rst
ixpk= 2382, nxpk= 20, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 266, 267,
&end
#
# 78 PRO HD- 76 GLN HB- 7.00 (# 2383:20 Unique 2.21, 3.95 A)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1132,1133,
igr2=1096,1097,
&end
#
# 78 PRO HD- 76 GLN HB+ 7.00 (# 2384:20 Unique 2.21, 3.95 A)
&rst
ixpk= 2384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1132,1133,
igr2=1096,1097,
&end
#
# 0 AMB 20-2:2385 68 PRO HG- 7.00 (# 2385:20 Single Ambig)
&rst
ixpk= 2385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 145, 971,
igr2= 965, 966,
&end
#
# 35 THR HA 6 LEU MDX 7.00 (# 2388:20 Unique 4.19, 5.00 A)
&rst
ixpk= 2388, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 23 ALA HN 6 LEU MDX 7.00 (# 2389:20 Unique 3.78, 5.40 A)
&rst
ixpk= 2389, nxpk= 20, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 21 HIS HN 0 AMB 20-1:2390 7.00 (# 2390:20 Single Ambig)
&rst
ixpk= 2390, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 266, 267, 266, 267,
&end
#
# 0 AMB 20-2:2391 0 AMB 20-1:2391 3.50 (# 2391:20 Double Ambig)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 269, 270, 269, 270,
igr2= 266, 267, 266, 267,
&end
#
# 0 AMB 20-2:2393 0 AMB 20-1:2393 7.00 (# 2393:20 Double Ambig)
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.82, r4=15.32,
igr1= 68, 69, 70, 588, 589, 590, 592, 593, 594,1166,
1167,1168,1170,1171,1172,
igr2= 602, 603, 602, 603, 602, 603,
&end
#
# 66 LEU MDX 68 PRO HG- 7.00 (# 2394:20 Unique 2.60, 6.68 A)
&rst
ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 965, 966,
&end
#
# 24 GLU HA 27 GLU HB+ 4.50 (# 2395:20 Unique 2.69, 3.55 A)
&rst
ixpk= 2395, nxpk= 20, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 383, 384,
&end
#
# 27 GLU HA 27 GLU HB+ 4.50 (# 2396:20 Unique 2.63, 2.82 A)
&rst
ixpk= 2396, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 383, 384,
&end
#
# 116 GLN HG+ 116 GLN HB- 5.50 (# 2398:20 Unique 2.29, 2.72 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1695,1696,
igr2=1692,1693,
&end
#
# 110 LYS HE- 116 GLN HB- 5.50 (# 2399:20 Unique 2.00, 3.46 A)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1615,1616,
igr2=1692,1693,
&end
#
# 116 GLN HE2- 116 GLN HB- 5.50 (# 2400:20 Unique 4.09, 4.50 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1700,1701,
igr2=1692,1693,
&end
#
# 0 AMB 20-2:2401 116 GLN HB- 7.00 (# 2401:20 Single Ambig)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1=1247,1251,1245,1253,1688,
igr2=1692,1693,
&end
#
# 116 GLN HG- 116 GLN HB+ 5.50 (# 2403:20 Unique 2.29, 2.72 A)
&rst
ixpk= 2403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1695,1696,
igr2=1692,1693,
&end
#
# 88 ILE MG2 90 ILE HG1- 7.00 (# 2406:20 Unique 5.26, 6.41 A)
&rst
ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1280,1281,1282,
igr2=1310,1311,
&end
#
# 142 TRP HA 142 TRP HB- 7.00 (# 2407:20 Unique 2.31, 2.69 A)
&rst
ixpk= 2407, nxpk= 20, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2087,2088,
&end
#
# 41 LEU HA 41 LEU HG 5.50 (# 2408:20 Unique 2.15, 2.18 A)
&rst
ixpk= 2408, nxpk= 20, iat= 581, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2410 0 AMB 20-1:2410 5.50 (# 2410:20 Double Ambig)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1764,1765,1766,1768,1769,1770,2113,2114,2115,2117,
2118,2119,2055,2056,2057,2059,2060,2061,
igr2=2087,2088,2087,2088,2087,2088,
&end
#
# 142 TRP HA 142 TRP HB+ 7.00 (# 2411:20 Unique 2.31, 2.69 A)
&rst
ixpk= 2411, nxpk= 20, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2087,2088,
&end
#
# 142 TRP HE3 142 TRP HB+ 5.50 (# 2412:20 Unique 2.41, 3.18 A)
&rst
ixpk= 2412, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2087,2088,
&end
#
# 143 VAL HN 142 TRP HB+ 4.50 (# 2413:20 Unique 2.37, 3.18 A)
&rst
ixpk= 2413, nxpk= 20, iat=2107, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2087,2088,
&end
#
# 49 ILE HN 49 ILE HG1- 7.00 (# 2416:20 Unique 2.41, 3.33 A)
&rst
ixpk= 2416, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 696, 697,
&end
#
# 51 LEU MDY 51 LEU HG 4.50 (# 2417:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2417, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:2418 4 ILE HG1- 7.00 (# 2418:20 Single Ambig)
&rst
ixpk= 2418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 696, 697, 47,
igr2= 53, 54,
&end
#
# 49 ILE HB 4 ILE HG1- 7.00 (# 2419:20 Unique 1.97, 2.85 A)
&rst
ixpk= 2419, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 53, 54,
&end
#
# 49 ILE HN 49 ILE HG1- 5.50 (# 2420:20 Unique 2.41, 3.33 A)
&rst
ixpk= 2420, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
&end
#
# 4 ILE MD1 4 ILE HG1+ 7.00 (# 2421:20 Unique 2.35, 2.62 A)
&rst
ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 56, 57, 58,
igr2= 53, 54,
&end
#
# 123 ILE MG2 123 ILE HG1- 4.50 (# 2422:20 Unique 2.25, 3.12 A)
&rst
ixpk= 2422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1802,1803,1804,
igr2=1806,1807,
&end
#
# 0 AMB 20-2:2423 0 AMB 20-1:2423 4.50 (# 2423:20 Double Ambig)
&rst
ixpk= 2423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 696, 697, 47,
igr2= 53, 54, 53, 54,
&end
#
# 4 ILE HA 4 ILE HG1+ 5.50 (# 2424:20 Unique 2.44, 2.74 A)
&rst
ixpk= 2424, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 53, 54,
&end
#
# 3 ASP HB- 4 ILE HG1- 7.00 (# 2425:20 Unique 2.61, 4.13 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 35, 36,
igr2= 53, 54,
&end
#
# 0 AMB 20-2:2426 7 ILE HG1- 7.00 (# 2426:20 Single Ambig)
&rst
ixpk= 2426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
igr1= 68, 69, 70, 512, 513, 514, 516, 517, 518, 754,
755, 756, 758, 759, 760,
igr2= 105, 106,
&end
#
# 49 ILE HB 49 ILE HG1+ 7.00 (# 2427:20 Unique 2.43, 2.46 A)
&rst
ixpk= 2427, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 696, 697,
&end
#
# 49 ILE HA 49 ILE HG1+ 5.50 (# 2428:20 Unique 3.16, 3.57 A)
&rst
ixpk= 2428, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
&end
#
# 25 LYS HE- 25 LYS HD+ 7.00 (# 2429:20 Unique 2.22, 2.70 A)
&rst
ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 351, 352,
igr2= 348, 349,
&end
#
# 0 AMB 20-2:2430 0 AMB 20-1:2430 7.00 (# 2430:20 Double Ambig)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1615,1616,1223,1224,
igr2=1609,1610,1220,1221,
&end
#
# 25 LYS HA 25 LYS HD+ 4.50 (# 2431:20 Unique 2.21, 2.99 A)
&rst
ixpk= 2431, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 348, 349,
&end
#
# 0 AMB 20-2:2432 0 AMB 20-1:2432 7.00 (# 2432:20 Double Ambig)
&rst
ixpk= 2432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
igr1= 53, 54,1528,1529,1692,1693,
igr2= 696, 697,1531,1609,1610,
&end
#
# 22 LEU HB- 53 ILE HG1+ 4.50 (# 2433:20 Unique 3.86, 4.86 A)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 298, 299,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:2434 0 AMB 20-1:2434 5.50 (# 2434:20 Double Ambig)
&rst
ixpk= 2434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 505, 750,
igr2= 510, 774, 775,
&end
#
# 0 AMB 20-2:2435 36 LEU HG 7.00 (# 2435:20 Single Ambig)
&rst
ixpk= 2435, nxpk= 20, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 80, 81, 478, 479,
&end
#
# 88 ILE MD1 53 ILE HG1+ 5.50 (# 2437:20 Unique 2.05, 3.28 A)
&rst
ixpk= 2437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1287,1288,1289,
igr2= 774, 775,
&end
#
# 51 LEU MDX 51 LEU HG 4.50 (# 2438:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2438, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 51 LEU HB+ 51 LEU HG 5.50 (# 2439:20 Unique 2.38, 2.71 A)
&rst
ixpk= 2439, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 51 LEU HB+ 51 LEU HG 5.50 (# 2440:20 Unique 2.38, 2.71 A)
&rst
ixpk= 2440, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 0 AMB 20-2:2441 0 AMB 20-1:2441 3.50 (# 2441:20 Double Ambig)
&rst
ixpk= 2441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1166,1167,1168,1170,1171,1172, 369, 370, 371, 373,
374, 375,
igr2=1135,1136, 367,
&end
#
# 0 AMB 20-2:2442 0 AMB 20-1:2442 5.50 (# 2442:20 Double Ambig)
&rst
ixpk= 2442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 362,1111,
igr2= 367,1135,1136,
&end
#
# 0 AMB 20-2:2445 0 AMB 20-1:2445 7.00 (# 2445:20 Double Ambig)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 362,1111,
igr2= 367,1135,1136,
&end
#
# 0 AMB 20-2:2446 0 AMB 20-1:2446 5.50 (# 2446:20 Double Ambig)
&rst
ixpk= 2446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.95, r4=10.45,
igr1= 541, 542, 296,1994,2158,
igr2= 586, 348, 349, 348, 349,1220,1221,
&end
#
# 84 ARG HA 84 ARG HG- 7.00 (# 2448:20 Unique 3.55, 3.84 A)
&rst
ixpk= 2448, nxpk= 20, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1220,1221,
&end
#
# 25 LYS HN 25 LYS HD+ 7.00 (# 2449:20 Unique 2.37, 3.04 A)
&rst
ixpk= 2449, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 348, 349,
&end
#
# 0 AMB 20-2:2450 123 ILE HG1- 7.00 (# 2450:20 Single Ambig)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1928,1929, 254,
igr2=1806,1807,
&end
#
# 123 ILE HA 123 ILE HG1- 7.00 (# 2451:20 Unique 3.40, 3.84 A)
&rst
ixpk= 2451, nxpk= 20, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1806,1807,
&end
#
# 36 LEU HN 36 LEU HG 5.50 (# 2452:20 Unique 2.37, 2.39 A)
&rst
ixpk= 2452, nxpk= 20, iat= 503, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2453 0 AMB 20-1:2453 5.50 (# 2453:20 Double Ambig)
&rst
ixpk= 2453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 242, 243, 244, 246, 247, 248,1809,1810,1811, 770,
771, 772,
igr2=1806,1807,1806,1807,1806,1807,
&end
#
# 0 AMB 20-2:2454 51 LEU HG 4.50 (# 2454:20 Single Ambig)
&rst
ixpk= 2454, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 49, 50, 51, 692, 693, 694,
&end
#
# 78 PRO HD- 78 PRO HG+ 5.50 (# 2455:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1132,1133,
igr2=1135,1136,
&end
#
# 0 AMB 20-2:2457 0 AMB 20-1:2457 5.50 (# 2457:20 Double Ambig)
&rst
ixpk= 2457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1615,1616,1223,1224,
igr2=1609,1610,1220,1221,
&end
#
# 40 LEU HA 40 LEU HG 5.50 (# 2458:20 Unique 2.94, 2.95 A)
&rst
ixpk= 2458, nxpk= 20, iat= 562, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 VAL HA 84 ARG HG+ 7.00 (# 2460:20 Unique 3.39, 4.90 A)
&rst
ixpk= 2460, nxpk= 20, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1220,1221,
&end
#
# 123 ILE HA 123 ILE HG1- 5.50 (# 2461:20 Unique 3.40, 3.84 A)
&rst
ixpk= 2461, nxpk= 20, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1806,1807,
&end
#
# 130 ILE HB 130 ILE HG1- 5.50 (# 2463:20 Unique 2.44, 2.62 A)
&rst
ixpk= 2463, nxpk= 20, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1918,1919,
&end
#
# 84 ARG HD- 84 ARG HG- 5.50 (# 2464:20 Unique 2.22, 2.70 A)
&rst
ixpk= 2464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1223,1224,
igr2=1220,1221,
&end
#
# 130 ILE HA 130 ILE HG1- 7.00 (# 2465:20 Unique 2.07, 2.93 A)
&rst
ixpk= 2465, nxpk= 20, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1918,1919,
&end
#
# 130 ILE HN 130 ILE HG1- 7.00 (# 2467:20 Unique 3.74, 4.23 A)
&rst
ixpk= 2467, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1918,1919,
&end
#
# 0 AMB 20-2:2468 0 AMB 20-1:2468 7.00 (# 2468:20 Double Ambig)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1908,1197,
igr2=1918,1919,1164,
&end
#
# 130 ILE HN 130 ILE HG1+ 7.00 (# 2469:20 Unique 3.74, 4.23 A)
&rst
ixpk= 2469, nxpk= 20, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1918,1919,
&end
#
# 105 LEU HG 105 LEU MDX 3.50 (# 2472:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2472, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:2477 0 AMB 20-1:2477 5.50 (# 2477:20 Double Ambig)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1806,1807, 345, 346,
igr2=1764,1765,1766,1768,1769,1770,2055,2056,2057,2059,
2060,2061,
&end
#
# 26 LEU HA 139 LEU MDY 7.00 (# 2478:20 Unique 2.29, 4.51 A)
&rst
ixpk= 2478, nxpk= 20, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 121 LEU HN 121 LEU MDY 7.00 (# 2479:20 Unique 3.26, 5.07 A)
&rst
ixpk= 2479, nxpk= 20, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 142 TRP HE3 139 LEU MDY 7.00 (# 2480:20 Unique 2.20, 4.90 A)
&rst
ixpk= 2480, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=2055,2056,2057,2059,2060,2061,
&end
#
# 0 AMB 20-2:2481 105 LEU MDX 7.00 (# 2481:20 Single Ambig)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 979, 980, 999,1000,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:2482 0 AMB 20-1:2482 7.00 (# 2482:20 Double Ambig)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
igr1= 787, 788,2026,2027,
igr2=1533,1534,1535,1537,1538,1539, 369, 370, 371, 373,
374, 375,
&end
#
# 145 LEU HN 145 LEU HG 7.00 (# 2483:20 Unique 4.15, 4.28 A)
&rst
ixpk= 2483, nxpk= 20, iat=2137,2144, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 44 LEU MDX 44 LEU HG 5.50 (# 2485:20 Unique 2.30, 2.63 A)
&rst
ixpk= 2485, nxpk= 20, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 73 LEU MDY 109 LEU HG 7.00 (# 2487:20 Unique 2.95, 4.17 A)
&rst
ixpk= 2487, nxpk= 20, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:2488 0 AMB 20-1:2488 7.00 (# 2488:20 Double Ambig)
&rst
ixpk= 2488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 921, 922, 35, 36,
igr2=1509,1510, 632,
&end
#
# 0 AMB 20-2:2489 109 LEU HG 5.50 (# 2489:20 Single Ambig)
&rst
ixpk= 2489, nxpk= 20, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1545,1585,
&end
#
# 109 LEU HN 109 LEU HG 7.00 (# 2490:20 Unique 2.37, 2.41 A)
&rst
ixpk= 2490, nxpk= 20, iat=1583,1590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 104 LYS HN 104 LYS HG+ 7.00 (# 2494:20 Unique 2.43, 2.69 A)
&rst
ixpk= 2494, nxpk= 20, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1509,1510,
&end
#
# 104 LYS HN 104 LYS HG- 5.50 (# 2497:20 Unique 2.43, 2.69 A)
&rst
ixpk= 2497, nxpk= 20, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1509,1510,
&end
#
# 73 LEU HN 73 LEU HG 7.00 (# 2498:20 Unique 2.51, 2.58 A)
&rst
ixpk= 2498, nxpk= 20, iat=1041,1048, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 104 LYS HA 104 LYS HG- 7.00 (# 2499:20 Unique 2.29, 2.92 A)
&rst
ixpk= 2499, nxpk= 20, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1509,1510,
&end
#
# 42 GLU HG- 41 LEU MDX 5.50 (# 2500:20 Unique 2.53, 5.92 A)
&rst
ixpk= 2500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 605, 606,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 36 LEU HG 36 LEU MDX 4.50 (# 2501:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2501, nxpk= 20, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 20-2:2504 73 LEU MDY 7.00 (# 2504:20 Single Ambig)
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
igr1=1526,1642,1643,1132,1133,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:2508 26 LEU MDY 5.50 (# 2508:20 Single Ambig)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 413, 414, 415, 733, 734,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:2509 41 LEU MDX 7.00 (# 2509:20 Single Ambig)
&rst
ixpk= 2509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1043, 979, 980,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 26 LEU HA 26 LEU MDY 7.00 (# 2511:20 Unique 1.99, 3.10 A)
&rst
ixpk= 2511, nxpk= 20, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:2513 41 LEU MDX 7.00 (# 2513:20 Single Ambig)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1041,1031,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:2514 73 LEU MDY 7.00 (# 2514:20 Single Ambig)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.28, r4=14.78,
igr1=1533,1534,1535,1537,1538,1539, 588, 589, 590, 592,
593, 594,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 108 GLU HB+ 73 LEU MDY 7.00 (# 2515:20 Unique 2.42, 4.31 A)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1572,1573,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 108 GLU HB- 73 LEU MDY 7.00 (# 2516:20 Unique 2.42, 4.31 A)
&rst
ixpk= 2516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1572,1573,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HN 73 LEU MDY 7.00 (# 2518:20 Unique 3.86, 4.51 A)
&rst
ixpk= 2518, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 142 TRP HE3 121 LEU HG 7.00 (# 2520:20 Unique 5.86, 6.40 A)
&rst
ixpk= 2520, nxpk= 20, iat=2102,1762, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 ILE HA 6 LEU MDY 7.00 (# 2522:20 Unique 5.04, 6.69 A)
&rst
ixpk= 2522, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HA 6 LEU MDY 7.00 (# 2523:20 Unique 2.23, 3.06 A)
&rst
ixpk= 2523, nxpk= 20, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:2524 6 LEU MDY 7.00 (# 2524:20 Single Ambig)
&rst
ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 462, 116,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:2525 0 AMB 20-1:2525 7.00 (# 2525:20 Double Ambig)
&rst
ixpk= 2525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 560, 252,
igr2= 569, 570, 571, 573, 574, 575, 85, 86, 87, 89,
90, 91,
&end
#
# 147 LYS HN 147 LYS HG+ 5.50 (# 2527:20 Unique 3.50, 4.00 A)
&rst
ixpk= 2527, nxpk= 20, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2182,2183,
&end
#
# 147 LYS HN 147 LYS HG- 7.00 (# 2528:20 Unique 3.50, 4.00 A)
&rst
ixpk= 2528, nxpk= 20, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2182,2183,
&end
#
# 88 ILE MG2 88 ILE HG1+ 5.50 (# 2531:20 Unique 2.25, 3.50 A)
&rst
ixpk= 2531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1280,1281,1282,
igr2=1284,1285,
&end
#
# 0 AMB 20-2:2535 109 LEU MDY 7.00 (# 2535:20 Single Ambig)
&rst
ixpk= 2535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1=1572,1573,1528,1529,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 76 GLN HE2+ 109 LEU MDY 5.50 (# 2536:20 Unique 6.44, 8.64 A)
&rst
ixpk= 2536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1104,1105,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 0 AMB 20-2:2539 109 LEU MDX 5.50 (# 2539:20 Single Ambig)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1572,1573,1528,1529,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 77 LYS HE+ 77 LYS HG- 7.00 (# 2547:20 Unique 2.07, 3.05 A)
&rst
ixpk= 2547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1122,1123,
igr2=1116,1117,
&end
#
# 77 LYS HA 77 LYS HG- 7.00 (# 2548:20 Unique 2.15, 2.78 A)
&rst
ixpk= 2548, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1116,1117,
&end
#
# 77 LYS HN 77 LYS HG- 7.00 (# 2549:20 Unique 3.03, 3.23 A)
&rst
ixpk= 2549, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1116,1117,
&end
#
# 77 LYS HN 77 LYS HG+ 7.00 (# 2550:20 Unique 3.03, 3.23 A)
&rst
ixpk= 2550, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1116,1117,
&end
#
# 111 ASN HD2- 77 LYS HG- 7.00 (# 2552:20 Unique 4.00, 5.05 A)
&rst
ixpk= 2552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1633,1634,
igr2=1116,1117,
&end
#
# 109 LEU HA 73 LEU MDX 7.00 (# 2553:20 Unique 2.95, 4.32 A)
&rst
ixpk= 2553, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 112 SER HB+ 73 LEU MDX 7.00 (# 2554:20 Unique 3.68, 6.18 A)
&rst
ixpk= 2554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1642,1643,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 111 ASN HD2+ 73 LEU MDX 7.00 (# 2555:20 Unique 5.66, 7.58 A)
&rst
ixpk= 2555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1633,1634,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU HN 73 LEU MDX 7.00 (# 2556:20 Unique 3.86, 4.51 A)
&rst
ixpk= 2556, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 143 VAL HA 146 LEU MDY 5.50 (# 2557:20 Unique 1.97, 4.02 A)
&rst
ixpk= 2557, nxpk= 20, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2165,2166,2167,2169,2170,2171,
&end
#
# 109 LEU HN 109 LEU MDX 5.50 (# 2562:20 Unique 2.95, 4.29 A)
&rst
ixpk= 2562, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1592,1593,1594,1596,1597,1598,
&end
#
# 73 LEU MDY 105 LEU MDY 7.00 (# 2564:20 Unique 2.01, 4.98 A)
&rst
ixpk= 2564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=1050,1051,1052,1054,1055,1056,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 105 LEU HB+ 105 LEU MDY 5.50 (# 2565:20 Unique 2.23, 3.48 A)
&rst
ixpk= 2565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1528,1529,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 20-2:2566 105 LEU MDY 7.00 (# 2566:20 Single Ambig)
&rst
ixpk= 2566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 979, 980, 999,1000,
igr2=1533,1534,1535,1537,1538,1539,
&end
#
# 25 LYS HB+ 25 LYS HG+ 4.50 (# 2568:20 Unique 2.33, 2.55 A)
&rst
ixpk= 2568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 342, 343,
igr2= 345, 346,
&end
#
# 25 LYS HD+ 25 LYS HG+ 3.50 (# 2570:20 Unique 2.41, 2.58 A)
&rst
ixpk= 2570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 348, 349,
igr2= 345, 346,
&end
#
# 115 LYS HB+ 115 LYS HG+ 4.50 (# 2571:20 Unique 2.22, 2.72 A)
&rst
ixpk= 2571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1670,1671,
igr2=1673,1674,
&end
#
# 0 AMB 20-2:2572 0 AMB 20-1:2572 7.00 (# 2572:20 Double Ambig)
&rst
ixpk= 2572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 296,1994,
igr2= 345, 346, 345, 346,
&end
#
# 0 AMB 20-2:2573 25 LYS HG- 7.00 (# 2573:20 Single Ambig)
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 296,1994,
igr2= 345, 346,
&end
#
# 25 LYS HA 25 LYS HG- 7.00 (# 2574:20 Unique 3.35, 3.57 A)
&rst
ixpk= 2574, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 345, 346,
&end
#
# 25 LYS HN 25 LYS HG- 7.00 (# 2575:20 Unique 1.99, 2.77 A)
&rst
ixpk= 2575, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 345, 346,
&end
#
# 50 TRP HD1 44 LEU MDX 7.00 (# 2593:20 Unique 4.20, 6.39 A)
&rst
ixpk= 2593, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 44 LEU HN 44 LEU MDX 7.00 (# 2594:20 Unique 3.61, 4.70 A)
&rst
ixpk= 2594, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 634, 635, 636, 638, 639, 640,
&end
#
# 73 LEU HA 41 LEU MDY 7.00 (# 2596:20 Unique 3.21, 5.06 A)
&rst
ixpk= 2596, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 76 GLN HE2+ 41 LEU MDY 3.50 (# 2599:20 Unique 2.12, 3.85 A)
&rst
ixpk= 2599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1104,1105,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 41 LEU HN 41 LEU MDY 7.00 (# 2600:20 Unique 3.75, 5.37 A)
&rst
ixpk= 2600, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 588, 589, 590, 592, 593, 594,
&end
#
# 0 AMB 20-2:2602 26 LEU MDX 3.50 (# 2602:20 Single Ambig)
&rst
ixpk= 2602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 298, 299, 466, 467, 468,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:2603 0 AMB 20-1:2603 4.50 (# 2603:20 Double Ambig)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 413, 414, 415,1217,1218,
igr2= 369, 370, 371, 373, 374, 375,1711,1712,1713,
&end
#
# 26 LEU HB+ 26 LEU MDX 7.00 (# 2604:20 Unique 2.10, 3.48 A)
&rst
ixpk= 2604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 364, 365,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:2605 0 AMB 20-1:2605 5.50 (# 2605:20 Double Ambig)
&rst
ixpk= 2605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
igr1= 481, 482, 301,2050,2051,
igr2= 512, 513, 514, 516, 517, 518, 369, 370, 371, 373,
374, 375,
&end
#
# 117 THR HA 117 THR MG2 3.50 (# 2606:20 Unique 2.34, 3.14 A)
&rst
ixpk= 2606, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1711,1712,1713,
&end
#
# 0 AMB 20-2:2607 120 THR MG2 7.00 (# 2607:20 Single Ambig)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1700,1701,1350,
igr2=1747,1748,1749,
&end
#
# 0 AMB 20-2:2608 0 AMB 20-1:2608 7.00 (# 2608:20 Double Ambig)
&rst
ixpk= 2608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=1401,1402, 617, 618,
igr2=1747,1748,1749, 569, 570, 571, 573, 574, 575,
&end
#
# 40 LEU HB- 40 LEU MDY 4.50 (# 2609:20 Unique 2.33, 3.28 A)
&rst
ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 564, 565,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 0 AMB 20-2:2610 0 AMB 20-1:2610 3.50 (# 2610:20 Double Ambig)
&rst
ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2139,1721,1722,
igr2=2146,2147,2148,2150,2151,2152,1711,1712,1713,
&end
#
# 120 THR HN 120 THR MG2 5.50 (# 2611:20 Unique 1.96, 3.59 A)
&rst
ixpk= 2611, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1747,1748,1749,
&end
#
# 118 GLY HN 117 THR MG2 7.00 (# 2612:20 Unique 2.13, 3.39 A)
&rst
ixpk= 2612, nxpk= 20, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1711,1712,1713,
&end
#
# 120 THR HB 120 THR MG2 4.50 (# 2613:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2613, nxpk= 20, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1747,1748,1749,
&end
#
# 18 VAL HN 18 VAL MGX 5.50 (# 2614:20 Unique 2.16, 3.86 A)
&rst
ixpk= 2614, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:2616 33 THR MG2 5.50 (# 2616:20 Single Ambig)
&rst
ixpk= 2616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 360, 313,
igr2= 466, 467, 468,
&end
#
# 27 GLU HA 33 THR MG2 5.50 (# 2617:20 Unique 2.37, 3.29 A)
&rst
ixpk= 2617, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 466, 467, 468,
&end
#
# 0 AMB 20-2:2618 33 THR MG2 7.00 (# 2618:20 Single Ambig)
&rst
ixpk= 2618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.12, r4=12.62,
igr1= 56, 57, 58, 738, 739, 740, 742, 743, 744,
igr2= 466, 467, 468,
&end
#
# 86 GLY HA+ 51 LEU MDY 5.50 (# 2619:20 Unique 2.42, 5.45 A)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1259,1260,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 87 ALA HA 51 LEU MDY 7.00 (# 2620:20 Unique 5.35, 7.64 A)
&rst
ixpk= 2620, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 142 TRP HE3 51 LEU MDY 7.00 (# 2622:20 Unique 5.79, 7.09 A)
&rst
ixpk= 2622, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 86 GLY HN 51 LEU MDY 7.00 (# 2623:20 Unique 3.69, 5.88 A)
&rst
ixpk= 2623, nxpk= 20, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 94 GLU HA 97 THR MG2 5.50 (# 2624:20 Unique 2.13, 4.11 A)
&rst
ixpk= 2624, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1415,1416,1417,
&end
#
# 40 LEU HB- 40 LEU MDY 4.50 (# 2625:20 Unique 2.33, 3.28 A)
&rst
ixpk= 2625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 564, 565,
igr2= 569, 570, 571, 573, 574, 575,
&end
#
# 0 AMB 20-2:2626 0 AMB 20-1:2626 3.50 (# 2626:20 Double Ambig)
&rst
ixpk= 2626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2141,2142,1806,1807,1806,1807,
igr2=2146,2147,2148,2150,2151,2152, 303, 304, 305, 307,
308, 309,1764,1765,1766,1768,1769,1770,
&end
#
# 0 AMB 20-2:2627 0 AMB 20-1:2627 3.50 (# 2627:20 Double Ambig)
&rst
ixpk= 2627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1757,1721,1722,
igr2=1764,1765,1766,1768,1769,1770,2146,2147,2148,2150,
2151,2152,
&end
#
# 0 AMB 20-2:2628 145 LEU MDX 5.50 (# 2628:20 Single Ambig)
&rst
ixpk= 2628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2123,2132,2133,
igr2=2146,2147,2148,2150,2151,2152,
&end
#
# 0 AMB 20-2:2630 87 ALA MB 7.00 (# 2630:20 Single Ambig)
&rst
ixpk= 2630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
igr1=1259,1260, 766,1295,1296,
igr2=1268,1269,1270,
&end
#
# 116 GLN HE2+ 87 ALA MB 7.00 (# 2631:20 Unique 1.95, 3.34 A)
&rst
ixpk= 2631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1700,1701,
igr2=1268,1269,1270,
&end
#
# 116 GLN HE2- 87 ALA MB 7.00 (# 2632:20 Unique 1.95, 3.34 A)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1700,1701,
igr2=1268,1269,1270,
&end
#
# 0 AMB 20-2:2634 0 AMB 20-1:2634 3.50 (# 2634:20 Double Ambig)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1413, 809,
igr2=1415,1416,1417, 811, 812, 813,
&end
#
# 0 AMB 20-2:2635 87 ALA MB 7.00 (# 2635:20 Single Ambig)
&rst
ixpk= 2635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1550,1551,1344,1345,1547,1548,
igr2=1268,1269,1270,
&end
#
# 97 THR HN 97 THR MG2 7.00 (# 2636:20 Unique 2.06, 3.44 A)
&rst
ixpk= 2636, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1415,1416,1417,
&end
#
# 0 AMB 20-2:2639 56 THR MG2 5.50 (# 2639:20 Single Ambig)
&rst
ixpk= 2639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 855, 856,1545,
igr2= 811, 812, 813,
&end
#
# 0 AMB 20-2:2643 0 AMB 20-1:2643 4.50 (# 2643:20 Double Ambig)
&rst
ixpk= 2643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=1203,1204,1205,1207,1208,1209, 108, 109, 110,
igr2=1166,1167,1168,1170,1171,1172, 754, 755, 756, 758,
759, 760,
&end
#
# 23 ALA MB 35 THR MG2 7.00 (# 2644:20 Unique 2.42, 4.24 A)
&rst
ixpk= 2644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 317, 318, 319,
igr2= 495, 496, 497,
&end
#
# 18 VAL HA 22 LEU MDX 7.00 (# 2646:20 Unique 3.92, 5.89 A)
&rst
ixpk= 2646, nxpk= 20, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 121 LEU HA 121 LEU MDX 3.50 (# 2647:20 Unique 2.54, 4.12 A)
&rst
ixpk= 2647, nxpk= 20, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 80 LEU HN 80 LEU MDX 7.00 (# 2648:20 Unique 2.10, 3.55 A)
&rst
ixpk= 2648, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 20 GLU HA 35 THR MG2 7.00 (# 2649:20 Unique 2.15, 3.55 A)
&rst
ixpk= 2649, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 495, 496, 497,
&end
#
# 0 AMB 20-2:2650 0 AMB 20-1:2650 3.50 (# 2650:20 Double Ambig)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 629, 630,1138,1139,1800,
igr2= 68, 69, 70,1166,1167,1168,1170,1171,1172, 303,
304, 305, 307, 308, 309,
&end
#
# 51 LEU HA 52 VAL MGX 7.00 (# 2651:20 Unique 3.81, 5.63 A)
&rst
ixpk= 2651, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 54 SER HB- 52 VAL MGX 7.00 (# 2652:20 Unique 2.82, 5.65 A)
&rst
ixpk= 2652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 787, 788,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 50 TRP HB+ 52 VAL MGX 7.00 (# 2653:20 Unique 4.45, 7.01 A)
&rst
ixpk= 2653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 709, 710,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:2656 52 VAL MGY 3.50 (# 2656:20 Single Ambig)
&rst
ixpk= 2656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 99,1268,1269,1270,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:2657 0 AMB 20-1:2657 4.50 (# 2657:20 Double Ambig)
&rst
ixpk= 2657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1135,1136,1135,1136,
igr2=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
&end
#
# 88 ILE MG2 18 VAL MGY 5.50 (# 2658:20 Unique 3.36, 5.63 A)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1280,1281,1282,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 22 LEU HA 18 VAL MGY 7.00 (# 2660:20 Unique 4.44, 6.36 A)
&rst
ixpk= 2660, nxpk= 20, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 19 ALA HN 18 VAL MGY 5.50 (# 2661:20 Unique 2.15, 4.05 A)
&rst
ixpk= 2661, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 50 TRP HD1 83 VAL MGX 7.00 (# 2663:20 Unique 2.14, 3.81 A)
&rst
ixpk= 2663, nxpk= 20, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 47 SER HN 83 VAL MGX 7.00 (# 2664:20 Unique 3.34, 4.49 A)
&rst
ixpk= 2664, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 84 ARG HN 83 VAL MGX 7.00 (# 2665:20 Unique 1.86, 3.82 A)
&rst
ixpk= 2665, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 83 VAL HB 83 VAL MGX 5.50 (# 2666:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2666, nxpk= 20, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 82 ALA HN 83 VAL MGX 7.00 (# 2667:20 Unique 3.03, 5.32 A)
&rst
ixpk= 2667, nxpk= 20, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 50 TRP HE1 83 VAL MGX 7.00 (# 2668:20 Unique 2.89, 4.12 A)
&rst
ixpk= 2668, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:2676 72 ALA MB 7.00 (# 2676:20 Single Ambig)
&rst
ixpk= 2676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1099,1100,1099,1100,
igr2=1035,1036,1037,
&end
#
# 76 GLN HE2+ 72 ALA MB 5.50 (# 2677:20 Unique 1.94, 3.18 A)
&rst
ixpk= 2677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1104,1105,
igr2=1035,1036,1037,
&end
#
# 76 GLN HE2- 72 ALA MB 7.00 (# 2678:20 Unique 1.94, 3.18 A)
&rst
ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1104,1105,
igr2=1035,1036,1037,
&end
#
# 4 ILE HB 2 ALA MB 7.00 (# 2679:20 Unique 4.22, 5.21 A)
&rst
ixpk= 2679, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 25, 26, 27,
&end
#
# 33 THR HN 2 ALA MB 7.00 (# 2681:20 Unique 2.80, 3.84 A)
&rst
ixpk= 2681, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 25, 26, 27,
&end
#
# 49 ILE HN 49 ILE MG2 7.00 (# 2682:20 Unique 4.52, 4.78 A)
&rst
ixpk= 2682, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 692, 693, 694,
&end
#
# 49 ILE HA 83 VAL MGY 7.00 (# 2685:20 Unique 2.39, 4.72 A)
&rst
ixpk= 2685, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 20-2:2686 114 ALA MB 7.00 (# 2686:20 Single Ambig)
&rst
ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1642,1643, 660,
igr2=1660,1661,1662,
&end
#
# 0 AMB 20-2:2688 29 ALA MB 7.00 (# 2688:20 Single Ambig)
&rst
ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 364, 365, 398, 399,
igr2= 413, 414, 415,
&end
#
# 30 GLY HN 29 ALA MB 7.00 (# 2690:20 Unique 2.92, 3.65 A)
&rst
ixpk= 2690, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 413, 414, 415,
&end
#
# 0 AMB 20-2:2691 130 ILE MG2 5.50 (# 2691:20 Single Ambig)
&rst
ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1934,1935,1931,1932,
igr2=1914,1915,1916,
&end
#
# 0 AMB 20-2:2692 0 AMB 20-1:2692 5.50 (# 2692:20 Double Ambig)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1321,1322, 809,
igr2=1914,1915,1916,1306,1307,1308,
&end
#
# 0 AMB 20-2:2693 130 ILE MG2 7.00 (# 2693:20 Single Ambig)
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1321,1322,1910,
igr2=1914,1915,1916,
&end
#
# 55 SER HA 0 AMB 20-1:2694 7.00 (# 2694:20 Single Ambig)
&rst
ixpk= 2694, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1306,1307,1308,1914,1915,1916,
&end
#
# 0 AMB 20-2:2695 107 ALA MB 5.50 (# 2695:20 Single Ambig)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1570,1492,
igr2=1562,1563,1564,
&end
#
# 59 ALA HN 59 ALA MB 5.50 (# 2697:20 Unique 2.22, 3.35 A)
&rst
ixpk= 2697, nxpk= 20, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 847, 848, 849,
&end
#
# 0 AMB 20-2:2698 130 ILE MG2 5.50 (# 2698:20 Single Ambig)
&rst
ixpk= 2698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1321,1322,1910,
igr2=1914,1915,1916,
&end
#
# 91 GLY HN 130 ILE MG2 7.00 (# 2699:20 Unique 3.90, 5.93 A)
&rst
ixpk= 2699, nxpk= 20, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1914,1915,1916,
&end
#
# 0 AMB 20-2:2701 19 ALA MB 3.50 (# 2701:20 Single Ambig)
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 495, 496, 497, 777, 778, 779,
igr2= 256, 257, 258,
&end
#
# 0 AMB 20-2:2702 46 ALA MB 5.50 (# 2702:20 Single Ambig)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 672, 673, 672, 673,
igr2= 662, 663, 664,
&end
#
# 47 SER HN 46 ALA MB 5.50 (# 2703:20 Unique 4.31, 4.47 A)
&rst
ixpk= 2703, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 662, 663, 664,
&end
#
# 6 LEU HB+ 23 ALA MB 7.00 (# 2704:20 Unique 3.63, 5.13 A)
&rst
ixpk= 2704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 80, 81,
igr2= 317, 318, 319,
&end
#
# 25 LYS HN 23 ALA MB 7.00 (# 2705:20 Unique 5.41, 6.02 A)
&rst
ixpk= 2705, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 317, 318, 319,
&end
#
# 88 ILE MD1 53 ILE MG2 7.00 (# 2706:20 Unique 3.05, 5.49 A)
&rst
ixpk= 2706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1287,1288,1289,
igr2= 770, 771, 772,
&end
#
# 4 ILE HB 4 ILE MG2 3.50 (# 2708:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2708, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 49, 50, 51,
&end
#
# 50 TRP HA 4 ILE MG2 7.00 (# 2709:20 Unique 3.82, 4.70 A)
&rst
ixpk= 2709, nxpk= 20, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 49, 50, 51,
&end
#
# 88 ILE MG2 123 ILE MG2 7.00 (# 2710:20 Unique 2.02, 3.34 A)
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1280,1281,1282,
igr2=1802,1803,1804,
&end
#
# 122 LYS HA 123 ILE MG2 7.00 (# 2711:20 Unique 3.82, 5.24 A)
&rst
ixpk= 2711, nxpk= 20, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1802,1803,1804,
&end
#
# 124 ASN HN 123 ILE MG2 7.00 (# 2712:20 Unique 3.68, 4.69 A)
&rst
ixpk= 2712, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1802,1803,1804,
&end
#
# 0 AMB 20-2:2713 7 ILE MG2 5.50 (# 2713:20 Single Ambig)
&rst
ixpk= 2713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 750, 562,
igr2= 101, 102, 103,
&end
#
# 8 SER HN 7 ILE MG2 7.00 (# 2715:20 Unique 3.51, 4.10 A)
&rst
ixpk= 2715, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:2717 4 ILE MG2 4.50 (# 2717:20 Single Ambig)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 80, 81, 25, 26, 27,
igr2= 49, 50, 51,
&end
#
# 121 LEU MDY 88 ILE MG2 7.00 (# 2722:20 Unique 1.98, 4.62 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1764,1765,1766,1768,1769,1770,
igr2=1280,1281,1282,
&end
#
# 88 ILE HN 88 ILE MG2 5.50 (# 2723:20 Unique 4.41, 4.69 A)
&rst
ixpk= 2723, nxpk= 20, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1280,1281,1282,
&end
#
# 0 AMB 20-2:2724 53 ILE MD1 7.00 (# 2724:20 Single Ambig)
&rst
ixpk= 2724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 78, 766,
igr2= 777, 778, 779,
&end
#
# 7 ILE HG1- 7 ILE MD1 3.50 (# 2725:20 Unique 2.23, 2.62 A)
&rst
ixpk= 2725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 105, 106,
igr2= 108, 109, 110,
&end
#
# 90 ILE HA 0 AMB 20-1:2734 5.50 (# 2734:20 Single Ambig)
&rst
ixpk= 2734, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1313,1314,1315,1809,1810,1811,
&end
#
# 0 AMB 20-2:2735 88 ILE MD1 7.00 (# 2735:20 Single Ambig)
&rst
ixpk= 2735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=2055,2056,2057,2059,2060,2061, 754, 755, 756, 758,
759, 760,
igr2=1287,1288,1289,
&end
#
# 89 GLY HA+ 88 ILE MD1 7.00 (# 2736:20 Unique 6.69, 7.88 A)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1295,1296,
igr2=1287,1288,1289,
&end
#
# 0 AMB 20-2:2737 49 ILE MD1 7.00 (# 2737:20 Single Ambig)
&rst
ixpk= 2737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.12, r4=12.62,
igr1= 56, 57, 58, 738, 739, 740, 742, 743, 744,
igr2= 699, 700, 701,
&end
#
# 4 ILE HG1+ 49 ILE MD1 7.00 (# 2738:20 Unique 4.45, 5.60 A)
&rst
ixpk= 2738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 53, 54,
igr2= 699, 700, 701,
&end
#
# 49 ILE HA 49 ILE MD1 7.00 (# 2740:20 Unique 2.03, 3.12 A)
&rst
ixpk= 2740, nxpk= 20, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 699, 700, 701,
&end
#
# 50 TRP HA 49 ILE MD1 7.00 (# 2741:20 Unique 6.30, 7.27 A)
&rst
ixpk= 2741, nxpk= 20, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 699, 700, 701,
&end
#
# 91 GLY HA+ 90 ILE MD1 7.00 (# 2748:20 Unique 6.73, 7.93 A)
&rst
ixpk= 2748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1321,1322,
igr2=1313,1314,1315,
&end
#
# 4 ILE HG1- 4 ILE MD1 4.50 (# 2750:20 Unique 2.35, 2.62 A)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 53, 54,
igr2= 56, 57, 58,
&end
#
# 49 ILE HB 4 ILE MD1 7.00 (# 2751:20 Unique 2.59, 3.48 A)
&rst
ixpk= 2751, nxpk= 20, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 56, 57, 58,
&end
#
# 4 ILE HA 4 ILE MD1 7.00 (# 2752:20 Unique 4.30, 4.57 A)
&rst
ixpk= 2752, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 56, 57, 58,
&end
#
# 142 TRP HE3 4 ILE MD1 7.00 (# 2753:20 Unique 7.11, 7.66 A)
&rst
ixpk= 2753, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 56, 57, 58,
&end
#
# 110 LYS HG+ 110 LYS HA 5.50 (# 2759:20 Unique 2.81, 2.94 A)
&rst
ixpk= 2759, nxpk= 20, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1609,1610,
&end
#
# 46 ALA HN 45 PRO HA 3.50 (# 2760:20 Unique 2.66, 2.70 A)
&rst
ixpk= 2760, nxpk= 20, iat= 658, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 PRO HB- 45 PRO HA 3.50 (# 2761:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2761, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 651, 652,
&end
#
# 45 PRO HB+ 45 PRO HA 3.50 (# 2762:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2762, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 651, 652,
&end
#
# 0 AMB 20-2:2771 11 THR HB 7.00 (# 2771:20 Single Ambig)
&rst
ixpk= 2771, nxpk= 20, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 136, 137, 136, 137,
&end
#
# 65 ASN HD2- 11 THR HB 7.00 (# 2772:20 Unique 4.65, 6.01 A)
&rst
ixpk= 2772, nxpk= 20, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 926, 927,
&end
#
# 10 SER HN 11 THR HA 7.00 (# 2774:20 Unique 5.22, 5.38 A)
&rst
ixpk= 2774, nxpk= 20, iat= 132, 145, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:2776 3 ASP HA 7.00 (# 2776:20 Single Ambig)
&rst
ixpk= 2776, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 23, 681, 682,
&end
#
# 4 ILE HN 3 ASP HB- 5.50 (# 2778:20 Unique 3.20, 3.52 A)
&rst
ixpk= 2778, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 35, 36,
&end
#
# 3 ASP HN 3 ASP HB- 7.00 (# 2779:20 Unique 2.44, 2.75 A)
&rst
ixpk= 2779, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 35, 36,
&end
#
# 0 AMB 20-2:2781 0 AMB 20-1:2781 7.00 (# 2781:20 Double Ambig)
&rst
ixpk= 2781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=2156,2102,
igr2=2188,2189,2188,2189,
&end
#
# 0 AMB 20-2:2782 4 ILE HB 4.50 (# 2782:20 Single Ambig)
&rst
ixpk= 2782, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 56, 57, 58, 738, 739, 740, 742, 743, 744,
&end
#
# 4 ILE HG1- 4 ILE HB 7.00 (# 2783:20 Unique 2.44, 2.73 A)
&rst
ixpk= 2783, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 53, 54,
&end
#
# 4 ILE HG1+ 4 ILE HB 4.50 (# 2784:20 Unique 2.44, 2.73 A)
&rst
ixpk= 2784, nxpk= 20, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 53, 54,
&end
#
# 4 ILE HA 4 ILE HB 7.00 (# 2785:20 Unique 3.02, 3.02 A)
&rst
ixpk= 2785, nxpk= 20, iat= 45, 47, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 4 ILE HN 4 ILE HB 5.50 (# 2786:20 Unique 2.64, 2.65 A)
&rst
ixpk= 2786, nxpk= 20, iat= 43, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 THR HA 4 ILE HB 7.00 (# 2787:20 Unique 2.42, 2.48 A)
&rst
ixpk= 2787, nxpk= 20, iat= 462, 47, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 4 ILE MG2 4 ILE HG1- 4.50 (# 2791:20 Unique 2.49, 3.52 A)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 49, 50, 51,
igr2= 53, 54,
&end
#
# 4 ILE MG2 4 ILE HG1+ 4.50 (# 2792:20 Unique 2.49, 3.52 A)
&rst
ixpk= 2792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 49, 50, 51,
igr2= 53, 54,
&end
#
# 5 THR HB 4 ILE HG1- 7.00 (# 2793:20 Unique 6.73, 7.09 A)
&rst
ixpk= 2793, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 53, 54,
&end
#
# 4 ILE HA 4 ILE HG1- 7.00 (# 2794:20 Unique 2.44, 2.74 A)
&rst
ixpk= 2794, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 53, 54,
&end
#
# 4 ILE HN 4 ILE HG1+ 7.00 (# 2796:20 Unique 2.97, 3.52 A)
&rst
ixpk= 2796, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 53, 54,
&end
#
# 4 ILE MG2 4 ILE MD1 3.50 (# 2797:20 Unique 1.99, 3.56 A)
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 49, 50, 51,
igr2= 56, 57, 58,
&end
#
# 0 AMB 20-2:2798 4 ILE MD1 7.00 (# 2798:20 Single Ambig)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=2165,2166,2167,2169,2170,2171, 634, 635, 636, 638,
639, 640,
igr2= 56, 57, 58,
&end
#
# 31 PHE HB- 4 ILE MD1 7.00 (# 2799:20 Unique 3.11, 4.26 A)
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 430, 431,
igr2= 56, 57, 58,
&end
#
# 4 ILE HN 4 ILE MD1 7.00 (# 2800:20 Unique 4.58, 5.11 A)
&rst
ixpk= 2800, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 56, 57, 58,
&end
#
# 0 AMB 20-2:2805 4 ILE MG2 4.50 (# 2805:20 Single Ambig)
&rst
ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 466, 467, 468, 733, 734,
igr2= 49, 50, 51,
&end
#
# 0 AMB 20-2:2806 4 ILE MG2 3.50 (# 2806:20 Single Ambig)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 733, 734, 696, 697,
igr2= 49, 50, 51,
&end
#
# 4 ILE HN 4 ILE MG2 7.00 (# 2807:20 Unique 4.32, 4.65 A)
&rst
ixpk= 2807, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 49, 50, 51,
&end
#
# 51 LEU MDX 4 ILE MG2 7.00 (# 2808:20 Unique 2.00, 4.16 A)
&rst
ixpk= 2808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 49, 50, 51,
&end
#
# 0 AMB 20-2:2810 5 THR HB 5.50 (# 2810:20 Single Ambig)
&rst
ixpk= 2810, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 85, 86, 87, 89, 90, 91, 692, 693, 694,
&end
#
# 50 TRP HB- 5 THR HB 7.00 (# 2811:20 Unique 6.19, 6.68 A)
&rst
ixpk= 2811, nxpk= 20, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 709, 710,
&end
#
# 0 AMB 20-2:2812 0 AMB 20-1:2812 5.50 (# 2812:20 Double Ambig)
&rst
ixpk= 2812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1774,2083,
igr2=1764,1765,1766,1768,1769,1770,2146,2147,2148,2150,
2151,2152,
&end
#
# 50 TRP HE1 0 AMB 20-1:2814 7.00 (# 2814:20 Single Ambig)
&rst
ixpk= 2814, nxpk= 20, iat= 715, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr2= 68, 69, 70,1166,1167,1168,1170,1171,1172,
&end
#
# 6 LEU HB+ 6 LEU HA 5.50 (# 2815:20 Unique 2.71, 2.83 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 80, 81,
&end
#
# 6 LEU MDY 6 LEU HA 5.50 (# 2816:20 Unique 2.23, 3.06 A)
&rst
ixpk= 2816, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HB- 6 LEU HA 7.00 (# 2817:20 Unique 2.71, 2.83 A)
&rst
ixpk= 2817, nxpk= 20, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 80, 81,
&end
#
# 7 ILE HN 6 LEU HA 4.50 (# 2819:20 Unique 2.14, 2.14 A)
&rst
ixpk= 2819, nxpk= 20, iat= 95, 78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HG 6 LEU HB+ 7.00 (# 2820:20 Unique 2.37, 2.43 A)
&rst
ixpk= 2820, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 80, 81,
&end
#
# 53 ILE HN 6 LEU HB- 7.00 (# 2823:20 Unique 6.20, 7.09 A)
&rst
ixpk= 2823, nxpk= 20, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 80, 81,
&end
#
# 6 LEU HB- 6 LEU HG 7.00 (# 2824:20 Unique 2.37, 2.43 A)
&rst
ixpk= 2824, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 80, 81,
&end
#
# 0 AMB 20-2:2825 6 LEU HG 7.00 (# 2825:20 Single Ambig)
&rst
ixpk= 2825, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 298, 299, 733, 734, 466, 467, 468,
&end
#
# 6 LEU HB+ 6 LEU HG 7.00 (# 2826:20 Unique 2.37, 2.43 A)
&rst
ixpk= 2826, nxpk= 20, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 80, 81,
&end
#
# 51 LEU HN 6 LEU HG 7.00 (# 2829:20 Unique 6.50, 6.58 A)
&rst
ixpk= 2829, nxpk= 20, iat= 729, 83, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:2832 6 LEU MDX 4.50 (# 2832:20 Single Ambig)
&rst
ixpk= 2832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 733, 734, 298, 299,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 23 ALA HA 6 LEU MDY 3.50 (# 2833:20 Unique 3.05, 4.51 A)
&rst
ixpk= 2833, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 6 LEU HB- 6 LEU MDY 3.50 (# 2834:20 Unique 2.24, 3.48 A)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 80, 81,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 51 LEU MDX 6 LEU MDY 7.00 (# 2835:20 Unique 1.98, 5.13 A)
&rst
ixpk= 2835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1= 738, 739, 740, 742, 743, 744,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 20-2:2836 0 AMB 20-1:2836 7.00 (# 2836:20 Double Ambig)
&rst
ixpk= 2836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1= 301, 602, 603,
igr2= 85, 86, 87, 89, 90, 91, 569, 570, 571, 573,
574, 575,
&end
#
# 34 GLU HN 6 LEU MDY 5.50 (# 2837:20 Unique 2.95, 5.38 A)
&rst
ixpk= 2837, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 85, 86, 87, 89, 90, 91,
&end
#
# 7 ILE HG1+ 7 ILE HA 7.00 (# 2838:20 Unique 2.77, 3.08 A)
&rst
ixpk= 2838, nxpk= 20, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 105, 106,
&end
#
# 53 ILE MD1 7 ILE HA 7.00 (# 2839:20 Unique 4.69, 5.17 A)
&rst
ixpk= 2839, nxpk= 20, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 777, 778, 779,
&end
#
# 0 AMB 20-2:2841 7 ILE HA 7.00 (# 2841:20 Single Ambig)
&rst
ixpk= 2841, nxpk= 20, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 539, 95, 547, 548, 547, 548,
&end
#
# 8 SER HN 7 ILE HA 5.50 (# 2843:20 Unique 2.16, 2.16 A)
&rst
ixpk= 2843, nxpk= 20, iat= 114, 97, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2848 7 ILE HB 5.50 (# 2848:20 Single Ambig)
&rst
ixpk= 2848, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 985, 989, 95, 987,
&end
#
# 7 ILE HB 7 ILE HG1- 5.50 (# 2853:20 Unique 2.46, 2.75 A)
&rst
ixpk= 2853, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 105, 106,
&end
#
# 7 ILE MG2 7 ILE HG1- 3.50 (# 2854:20 Unique 2.56, 3.49 A)
&rst
ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 101, 102, 103,
igr2= 105, 106,
&end
#
# 7 ILE HA 7 ILE HG1- 7.00 (# 2857:20 Unique 2.77, 3.08 A)
&rst
ixpk= 2857, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 105, 106,
&end
#
# 50 TRP HB+ 7 ILE HG1- 7.00 (# 2859:20 Unique 4.51, 5.83 A)
&rst
ixpk= 2859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 709, 710,
igr2= 105, 106,
&end
#
# 0 AMB 20-2:2860 0 AMB 20-1:2860 5.50 (# 2860:20 Double Ambig)
&rst
ixpk= 2860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 68, 69, 70, 754, 755, 756, 758, 759, 760,
igr2= 105, 106, 105, 106,
&end
#
# 7 ILE HB 7 ILE HG1+ 4.50 (# 2861:20 Unique 2.46, 2.75 A)
&rst
ixpk= 2861, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 105, 106,
&end
#
# 7 ILE HA 7 ILE HG1+ 7.00 (# 2862:20 Unique 2.77, 3.08 A)
&rst
ixpk= 2862, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 105, 106,
&end
#
# 50 TRP HB- 7 ILE MD1 4.50 (# 2864:20 Unique 3.14, 4.98 A)
&rst
ixpk= 2864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 709, 710,
igr2= 108, 109, 110,
&end
#
# 0 AMB 20-2:2865 7 ILE MD1 7.00 (# 2865:20 Single Ambig)
&rst
ixpk= 2865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 987,1247,1251,1249,
igr2= 108, 109, 110,
&end
#
# 51 LEU HN 7 ILE MD1 7.00 (# 2866:20 Unique 4.26, 5.32 A)
&rst
ixpk= 2866, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 108, 109, 110,
&end
#
# 7 ILE MD1 7 ILE MG2 3.50 (# 2868:20 Unique 1.99, 3.64 A)
&rst
ixpk= 2868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 108, 109, 110,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:2869 7 ILE MG2 3.50 (# 2869:20 Single Ambig)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 754, 755, 756, 758, 759, 760, 512, 513, 514, 516,
517, 518, 588, 589, 590, 592, 593, 594,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:2870 7 ILE MG2 7.00 (# 2870:20 Single Ambig)
&rst
ixpk= 2870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 985, 989, 987,
igr2= 101, 102, 103,
&end
#
# 41 LEU HN 7 ILE MG2 7.00 (# 2871:20 Unique 3.55, 4.48 A)
&rst
ixpk= 2871, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 101, 102, 103,
&end
#
# 19 ALA MB 0 AMB 20-1:2872 5.50 (# 2872:20 Single Ambig)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 256, 257, 258,
igr2= 118, 119, 118, 119,
&end
#
# 8 SER HA 0 AMB 20-1:2873 7.00 (# 2873:20 Single Ambig)
&rst
ixpk= 2873, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 118, 119, 118, 119,
&end
#
# 8 SER HN 0 AMB 20-1:2874 7.00 (# 2874:20 Single Ambig)
&rst
ixpk= 2874, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 118, 119, 118, 119,
&end
#
# 53 ILE HA 10 SER HB- 7.00 (# 2885:20 Unique 6.35, 7.77 A)
&rst
ixpk= 2885, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 136, 137,
&end
#
# 10 SER HA 10 SER HB- 7.00 (# 2886:20 Unique 2.24, 2.50 A)
&rst
ixpk= 2886, nxpk= 20, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 136, 137,
&end
#
# 66 LEU HN 10 SER HB- 7.00 (# 2887:20 Unique 3.52, 5.68 A)
&rst
ixpk= 2887, nxpk= 20, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 136, 137,
&end
#
# 55 SER HA 10 SER HB- 7.00 (# 2889:20 Unique 5.18, 6.27 A)
&rst
ixpk= 2889, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 136, 137,
&end
#
# 105 LEU HG 10 SER HB+ 7.00 (# 2890:20 Unique 5.76, 6.35 A)
&rst
ixpk= 2890, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 136, 137,
&end
#
# 11 THR HA 11 THR MG2 4.50 (# 2891:20 Unique 2.23, 3.73 A)
&rst
ixpk= 2891, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 149, 150, 151,
&end
#
# 11 THR HB 11 THR MG2 3.50 (# 2892:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2892, nxpk= 20, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 149, 150, 151,
&end
#
# 12 LEU MDY 12 LEU HA 3.50 (# 2893:20 Unique 2.10, 3.75 A)
&rst
ixpk= 2893, nxpk= 20, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 20-2:2894 0 AMB 20-1:2894 2.80 (# 2894:20 Double Ambig)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 166, 167, 168, 170, 171, 172, 569, 570, 571, 573,
574, 575, 569, 570, 571, 573, 574, 575,
igr2= 161, 162, 564, 565,
&end
#
# 12 LEU HA 12 LEU HB+ 5.50 (# 2895:20 Unique 2.43, 2.82 A)
&rst
ixpk= 2895, nxpk= 20, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 161, 162,
&end
#
# 0 AMB 20-2:2896 40 LEU HB- 5.50 (# 2896:20 Single Ambig)
&rst
ixpk= 2896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 562, 615,
igr2= 564, 565,
&end
#
# 41 LEU HN 40 LEU HB- 7.00 (# 2897:20 Unique 3.68, 3.95 A)
&rst
ixpk= 2897, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 564, 565,
&end
#
# 12 LEU HA 12 LEU HG 7.00 (# 2900:20 Unique 2.57, 2.73 A)
&rst
ixpk= 2900, nxpk= 20, iat= 159, 164, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 LEU HG 12 LEU MDX 3.50 (# 2902:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2902, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 20-2:2903 0 AMB 20-1:2903 2.80 (# 2903:20 Double Ambig)
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 161, 162,2160,2161,
igr2= 166, 167, 168, 170, 171, 172,2163,
&end
#
# 146 LEU HB+ 146 LEU HG 4.50 (# 2904:20 Unique 2.66, 2.82 A)
&rst
ixpk= 2904, nxpk= 20, iat= -1,2163, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2160,2161,
&end
#
# 12 LEU HB+ 12 LEU MDY 3.50 (# 2905:20 Unique 2.11, 3.28 A)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 161, 162,
igr2= 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 20-2:2906 0 AMB 20-1:2906 7.00 (# 2906:20 Double Ambig)
&rst
ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 562,1276,
igr2= 166, 167, 168, 170, 171, 172, 369, 370, 371, 373,
374, 375,
&end
#
# 13 GLY HN 13 GLY HA- 7.00 (# 2907:20 Unique 2.37, 2.75 A)
&rst
ixpk= 2907, nxpk= 20, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 178, 179,
&end
#
# 137 GLU HA 140 GLY HA- 7.00 (# 2909:20 Unique 4.01, 4.82 A)
&rst
ixpk= 2909, nxpk= 20, iat=2009, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2067,2068,
&end
#
# 137 GLU HA 140 GLY HA+ 5.50 (# 2910:20 Unique 4.01, 4.82 A)
&rst
ixpk= 2910, nxpk= 20, iat=2009, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2067,2068,
&end
#
# 8 SER HA 14 GLY HA+ 7.00 (# 2915:20 Unique 5.31, 7.04 A)
&rst
ixpk= 2915, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 185, 186,
&end
#
# 0 AMB 20-2:2919 16 GLU HA 7.00 (# 2919:20 Single Ambig)
&rst
ixpk= 2919, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 768, 83,
&end
#
# 16 GLU HG+ 16 GLU HA 5.50 (# 2920:20 Unique 3.56, 3.81 A)
&rst
ixpk= 2920, nxpk= 20, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 207, 208,
&end
#
# 16 GLU HB- 16 GLU HG+ 5.50 (# 2925:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 204, 205,
igr2= 207, 208,
&end
#
# 16 GLU HA 16 GLU HB+ 7.00 (# 2926:20 Unique 2.37, 2.45 A)
&rst
ixpk= 2926, nxpk= 20, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 204, 205,
&end
#
# 16 GLU HA 16 GLU HB- 7.00 (# 2927:20 Unique 2.37, 2.45 A)
&rst
ixpk= 2927, nxpk= 20, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 204, 205,
&end
#
# 17 TYR HB- 17 TYR HA 5.50 (# 2928:20 Unique 2.61, 2.82 A)
&rst
ixpk= 2928, nxpk= 20, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 219, 220,
&end
#
# 0 AMB 20-2:2929 0 AMB 20-1:2929 5.50 (# 2929:20 Double Ambig)
&rst
ixpk= 2929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1615,1616, 281, 282,
igr2=1604, 217,
&end
#
# 18 VAL HN 17 TYR HA 7.00 (# 2930:20 Unique 3.51, 3.56 A)
&rst
ixpk= 2930, nxpk= 20, iat= 236, 217, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:2931 0 AMB 20-1:2931 7.00 (# 2931:20 Double Ambig)
&rst
ixpk= 2931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1633,1634,1633,1634,
igr2=1628,1629,1628,1629,
&end
#
# 0 AMB 20-2:2932 18 VAL HA 7.00 (# 2932:20 Single Ambig)
&rst
ixpk= 2932, nxpk= 20, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 301, 266, 267, 266, 267,
&end
#
# 18 VAL HB 18 VAL HA 7.00 (# 2933:20 Unique 2.51, 2.55 A)
&rst
ixpk= 2933, nxpk= 20, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 HIS HB- 18 VAL HA 7.00 (# 2934:20 Unique 2.52, 3.30 A)
&rst
ixpk= 2934, nxpk= 20, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 281, 282,
&end
#
# 21 HIS HB+ 18 VAL HA 7.00 (# 2935:20 Unique 2.52, 3.30 A)
&rst
ixpk= 2935, nxpk= 20, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 281, 282,
&end
#
# 17 TYR HN 18 VAL HA 7.00 (# 2937:20 Unique 5.40, 5.46 A)
&rst
ixpk= 2937, nxpk= 20, iat= 215, 238, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 19 ALA HA 18 VAL HA 7.00 (# 2938:20 Unique 4.80, 4.84 A)
&rst
ixpk= 2938, nxpk= 20, iat= 254, 238, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 VAL HN 18 VAL HB 5.50 (# 2939:20 Unique 2.55, 2.63 A)
&rst
ixpk= 2939, nxpk= 20, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2940 0 AMB 20-1:2940 7.00 (# 2940:20 Double Ambig)
&rst
ixpk= 2940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 962, 963, 296,
igr2= 968, 969, 342, 343,
&end
#
# 0 AMB 20-2:2941 0 AMB 20-1:2941 5.50 (# 2941:20 Double Ambig)
&rst
ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 238, 962, 963,
igr2= 240, 968, 969,
&end
#
# 0 AMB 20-2:2942 0 AMB 20-1:2942 7.00 (# 2942:20 Double Ambig)
&rst
ixpk= 2942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1099,1100, 330, 331,
igr2=1081,1082, 342, 343,
&end
#
# 0 AMB 20-2:2943 0 AMB 20-1:2943 7.00 (# 2943:20 Double Ambig)
&rst
ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1= 164, 348, 349,1035,1036,1037,
igr2= 968, 969, 342, 343,1081,1082,
&end
#
# 88 ILE MG2 18 VAL MGY 7.00 (# 2945:20 Unique 3.36, 5.63 A)
&rst
ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1280,1281,1282,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 22 LEU HB- 18 VAL MGY 7.00 (# 2946:20 Unique 3.59, 5.47 A)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 298, 299,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 19 ALA HA 18 VAL MGY 7.00 (# 2947:20 Unique 3.09, 4.66 A)
&rst
ixpk= 2947, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 21 HIS HN 18 VAL MGY 7.00 (# 2950:20 Unique 4.80, 6.20 A)
&rst
ixpk= 2950, nxpk= 20, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:2951 18 VAL MGY 3.50 (# 2951:20 Single Ambig)
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 301, 240,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 0 AMB 20-2:2953 0 AMB 20-1:2953 4.50 (# 2953:20 Double Ambig)
&rst
ixpk= 2953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 252,1361,
igr2= 242, 243, 244, 246, 247, 248,1747,1748,1749,
&end
#
# 22 LEU HB- 19 ALA HA 7.00 (# 2954:20 Unique 2.58, 3.43 A)
&rst
ixpk= 2954, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 298, 299,
&end
#
# 35 THR HA 19 ALA MB 7.00 (# 2957:20 Unique 4.41, 5.48 A)
&rst
ixpk= 2957, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 256, 257, 258,
&end
#
# 0 AMB 20-2:2960 20 GLU HA 3.50 (# 2960:20 Single Ambig)
&rst
ixpk= 2960, nxpk= 20, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 266, 267, 266, 267,
&end
#
# 0 AMB 20-2:2961 24 GLU HA 3.50 (# 2961:20 Single Ambig)
&rst
ixpk= 2961, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 327, 328, 383, 384,
&end
#
# 19 ALA MB 20 GLU HA 7.00 (# 2962:20 Unique 3.76, 4.70 A)
&rst
ixpk= 2962, nxpk= 20, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 256, 257, 258,
&end
#
# 0 AMB 20-2:2963 20 GLU HA 7.00 (# 2963:20 Single Ambig)
&rst
ixpk= 2963, nxpk= 20, iat= -1, 264, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 85, 86, 87, 89, 90, 91, 242, 243, 244, 246,
247, 248,
&end
#
# 35 THR MG2 20 GLU HA 5.50 (# 2964:20 Unique 2.15, 3.55 A)
&rst
ixpk= 2964, nxpk= 20, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 495, 496, 497,
&end
#
# 21 HIS HN 20 GLU HA 7.00 (# 2965:20 Unique 3.54, 3.56 A)
&rst
ixpk= 2965, nxpk= 20, iat= 277, 264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 20 GLU HN 20 GLU HA 7.00 (# 2966:20 Unique 2.75, 2.76 A)
&rst
ixpk= 2966, nxpk= 20, iat= 262, 264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 20 GLU HN 20 GLU HA 7.00 (# 2967:20 Unique 2.75, 2.76 A)
&rst
ixpk= 2967, nxpk= 20, iat= 262, 264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:2968 0 AMB 20-1:2968 7.00 (# 2968:20 Double Ambig)
&rst
ixpk= 2968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 379,1423, 294,
igr2= 325,1445, 264,
&end
#
# 100 GLY HN 99 CYS HA 7.00 (# 2969:20 Unique 2.15, 2.36 A)
&rst
ixpk= 2969, nxpk= 20, iat=1454,1445, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 20 GLU HA 0 AMB 20-1:2970 4.50 (# 2970:20 Single Ambig)
&rst
ixpk= 2970, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 266, 267, 266, 267,
&end
#
# 35 THR MG2 20 GLU HG+ 7.00 (# 2971:20 Unique 3.24, 5.38 A)
&rst
ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 495, 496, 497,
igr2= 269, 270,
&end
#
# 21 HIS HB- 21 HIS HA 4.50 (# 2972:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2972, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 281, 282,
&end
#
# 24 GLU HB- 21 HIS HA 7.00 (# 2973:20 Unique 2.73, 3.17 A)
&rst
ixpk= 2973, nxpk= 20, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 327, 328,
&end
#
# 19 ALA HA 21 HIS HA 7.00 (# 2976:20 Unique 6.64, 6.77 A)
&rst
ixpk= 2976, nxpk= 20, iat= 254, 279, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 VAL HN 21 HIS HB+ 7.00 (# 2977:20 Unique 5.07, 5.79 A)
&rst
ixpk= 2977, nxpk= 20, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 281, 282,
&end
#
# 22 LEU HB+ 22 LEU HA 5.50 (# 2978:20 Unique 2.63, 2.81 A)
&rst
ixpk= 2978, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 298, 299,
&end
#
# 22 LEU HB+ 22 LEU HA 5.50 (# 2979:20 Unique 2.63, 2.81 A)
&rst
ixpk= 2979, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 298, 299,
&end
#
# 0 AMB 20-2:2980 0 AMB 20-1:2980 4.50 (# 2980:20 Double Ambig)
&rst
ixpk= 2980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2053,2050,2051, 342, 343,
igr2=2048, 296,
&end
#
# 25 LYS HB+ 22 LEU HA 4.50 (# 2981:20 Unique 3.24, 4.19 A)
&rst
ixpk= 2981, nxpk= 20, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 342, 343,
&end
#
# 25 LYS HN 22 LEU HA 7.00 (# 2982:20 Unique 3.86, 3.91 A)
&rst
ixpk= 2982, nxpk= 20, iat= 338, 296, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:2983 0 AMB 20-1:2983 4.50 (# 2983:20 Double Ambig)
&rst
ixpk= 2983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 301,2050,2051,
igr2= 296,2048,
&end
#
# 0 AMB 20-2:2984 22 LEU HG 7.00 (# 2984:20 Single Ambig)
&rst
ixpk= 2984, nxpk= 20, iat= -1, 301, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 303, 304, 305, 307, 308, 309,1802,1803,1804,
&end
#
# 0 AMB 20-2:2985 0 AMB 20-1:2985 3.50 (# 2985:20 Double Ambig)
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 298, 299,1806,1807,1806,1807,
igr2= 303, 304, 305, 307, 308, 309,1764,1765,1766,1768,
1769,1770,
&end
#
# 145 LEU HB- 145 LEU MDX 3.50 (# 2986:20 Unique 2.08, 3.26 A)
&rst
ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2141,2142,
igr2=2146,2147,2148,2150,2151,2152,
&end
#
# 0 AMB 20-2:2987 0 AMB 20-1:2987 4.50 (# 2987:20 Double Ambig)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1135,1136, 367,
igr2=1166,1167,1168,1170,1171,1172, 303, 304, 305, 307,
308, 309,
&end
#
# 21 HIS HA 23 ALA MB 7.00 (# 2991:20 Unique 5.41, 6.38 A)
&rst
ixpk= 2991, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 317, 318, 319,
&end
#
# 82 ALA HA 82 ALA MB 4.50 (# 2992:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2992, nxpk= 20, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1191,1192,1193,
&end
#
# 0 AMB 20-2:2993 24 GLU HA 2.80 (# 2993:20 Single Ambig)
&rst
ixpk= 2993, nxpk= 20, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 327, 328, 383, 384,
&end
#
# 0 AMB 20-2:2994 0 AMB 20-1:2994 4.50 (# 2994:20 Double Ambig)
&rst
ixpk= 2994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 269, 270, 330, 331,
igr2= 264, 325,
&end
#
# 25 LYS HN 24 GLU HA 7.00 (# 2995:20 Unique 3.57, 3.57 A)
&rst
ixpk= 2995, nxpk= 20, iat= 338, 325, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 HIS HA 24 GLU HB- 5.50 (# 2996:20 Unique 2.73, 3.17 A)
&rst
ixpk= 2996, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 327, 328,
&end
#
# 25 LYS HB- 25 LYS HA 4.50 (# 2997:20 Unique 2.39, 2.71 A)
&rst
ixpk= 2997, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 342, 343,
&end
#
# 0 AMB 20-2:2998 0 AMB 20-1:2998 4.50 (# 2998:20 Double Ambig)
&rst
ixpk= 2998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1368,1369,1096,1097, 342, 343,
igr2=1363,1094, 340,
&end
#
# 25 LYS HN 25 LYS HA 5.50 (# 3000:20 Unique 2.76, 2.77 A)
&rst
ixpk= 3000, nxpk= 20, iat= 338, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3001 0 AMB 20-1:3001 7.00 (# 3001:20 Double Ambig)
&rst
ixpk= 3001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 296,1994,
igr2= 342, 343, 342, 343,
&end
#
# 25 LYS HN 25 LYS HB- 7.00 (# 3002:20 Unique 2.70, 3.15 A)
&rst
ixpk= 3002, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 342, 343,
&end
#
# 25 LYS HN 25 LYS HB+ 7.00 (# 3003:20 Unique 2.70, 3.15 A)
&rst
ixpk= 3003, nxpk= 20, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 342, 343,
&end
#
# 26 LEU HN 25 LYS HB+ 7.00 (# 3004:20 Unique 2.24, 2.91 A)
&rst
ixpk= 3004, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 342, 343,
&end
#
# 26 LEU HN 25 LYS HB- 7.00 (# 3005:20 Unique 2.24, 2.91 A)
&rst
ixpk= 3005, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 342, 343,
&end
#
# 25 LYS HB- 25 LYS HG+ 5.50 (# 3006:20 Unique 2.33, 2.55 A)
&rst
ixpk= 3006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 342, 343,
igr2= 345, 346,
&end
#
# 0 AMB 20-2:3007 0 AMB 20-1:3007 7.00 (# 3007:20 Double Ambig)
&rst
ixpk= 3007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.53, r4=12.03,
igr1= 962, 963, 296,1994,
igr2= 164, 348, 349, 348, 349,
&end
#
# 0 AMB 20-2:3008 0 AMB 20-1:3008 7.00 (# 3008:20 Double Ambig)
&rst
ixpk= 3008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
igr1= 327, 328, 398, 399, 605, 606,
igr2= 348, 349, 348, 349, 586,
&end
#
# 25 LYS HG+ 25 LYS HE- 7.00 (# 3009:20 Unique 2.43, 3.40 A)
&rst
ixpk= 3009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 345, 346,
igr2= 351, 352,
&end
#
# 0 AMB 20-2:3010 0 AMB 20-1:3010 7.00 (# 3010:20 Double Ambig)
&rst
ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=2182,2183, 345, 346,
igr2=2188,2189, 351, 352,
&end
#
# 0 AMB 20-2:3011 0 AMB 20-1:3011 7.00 (# 3011:20 Double Ambig)
&rst
ixpk= 3011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1= 564, 565, 586, 348, 349,
igr2= 600, 362,
&end
#
# 139 LEU MDY 26 LEU HA 5.50 (# 3012:20 Unique 2.29, 4.51 A)
&rst
ixpk= 3012, nxpk= 20, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 26 LEU HN 26 LEU HA 7.00 (# 3014:20 Unique 2.74, 2.75 A)
&rst
ixpk= 3014, nxpk= 20, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 LEU MDY 26 LEU HA 4.50 (# 3015:20 Unique 1.99, 3.10 A)
&rst
ixpk= 3015, nxpk= 20, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 369, 370, 371, 373, 374, 375,
&end
#
# 27 GLU HN 26 LEU HB+ 7.00 (# 3018:20 Unique 2.76, 3.06 A)
&rst
ixpk= 3018, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 364, 365,
&end
#
# 0 AMB 20-2:3019 26 LEU HG 7.00 (# 3019:20 Single Ambig)
&rst
ixpk= 3019, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1=2055,2056,2057,2059,2060,2061, 736,
&end
#
# 0 AMB 20-2:3020 0 AMB 20-1:3020 3.50 (# 3020:20 Double Ambig)
&rst
ixpk= 3020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
igr2=1135,1136,1135,1136,
&end
#
# 78 PRO HA 78 PRO HG+ 7.00 (# 3021:20 Unique 3.85, 3.94 A)
&rst
ixpk= 3021, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1135,1136,
&end
#
# 0 AMB 20-2:3022 0 AMB 20-1:3022 7.00 (# 3022:20 Double Ambig)
&rst
ixpk= 3022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1176, 43,
igr2=1135,1136, 367,
&end
#
# 0 AMB 20-2:3023 26 LEU HG 5.50 (# 3023:20 Single Ambig)
&rst
ixpk= 3023, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 360, 313,
&end
#
# 0 AMB 20-2:3024 0 AMB 20-1:3024 7.00 (# 3024:20 Double Ambig)
&rst
ixpk= 3024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1157, 379,
igr2=1135,1136, 367,
&end
#
# 0 AMB 20-2:3025 26 LEU MDY 5.50 (# 3025:20 Single Ambig)
&rst
ixpk= 3025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=2087,2088, 83, 348, 349,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 26 LEU HN 26 LEU MDY 7.00 (# 3026:20 Unique 1.94, 3.86 A)
&rst
ixpk= 3026, nxpk= 20, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 20-2:3028 27 GLU HA 3.50 (# 3028:20 Single Ambig)
&rst
ixpk= 3028, nxpk= 20, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 383, 384, 383, 384,
&end
#
# 27 GLU HG+ 27 GLU HA 3.50 (# 3029:20 Unique 2.13, 2.69 A)
&rst
ixpk= 3029, nxpk= 20, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 386, 387,
&end
#
# 27 GLU HN 27 GLU HA 4.50 (# 3030:20 Unique 2.81, 2.83 A)
&rst
ixpk= 3030, nxpk= 20, iat= 379, 381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 GLU HN 27 GLU HB- 5.50 (# 3031:20 Unique 2.72, 3.08 A)
&rst
ixpk= 3031, nxpk= 20, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:3032 27 GLU HB- 4.50 (# 3032:20 Single Ambig)
&rst
ixpk= 3032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 386, 387, 386, 387,
igr2= 383, 384,
&end
#
# 28 GLU HB+ 28 GLU HA 3.50 (# 3033:20 Unique 2.40, 2.78 A)
&rst
ixpk= 3033, nxpk= 20, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 398, 399,
&end
#
# 30 GLY HN 28 GLU HA 7.00 (# 3034:20 Unique 3.65, 3.67 A)
&rst
ixpk= 3034, nxpk= 20, iat= 419, 396, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 GLU HG+ 28 GLU HB- 3.50 (# 3036:20 Unique 2.27, 2.56 A)
&rst
ixpk= 3036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 401, 402,
igr2= 398, 399,
&end
#
# 0 AMB 20-2:3037 0 AMB 20-1:3037 3.50 (# 3037:20 Double Ambig)
&rst
ixpk= 3037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 340, 396,
igr2= 398, 399, 398, 399,
&end
#
# 29 ALA HN 28 GLU HB- 7.00 (# 3038:20 Unique 3.22, 3.68 A)
&rst
ixpk= 3038, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 398, 399,
&end
#
# 107 ALA HN 106 GLU HB+ 5.50 (# 3039:20 Unique 2.78, 3.28 A)
&rst
ixpk= 3039, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1547,1548,
&end
#
# 0 AMB 20-2:3041 0 AMB 20-1:3041 7.00 (# 3041:20 Double Ambig)
&rst
ixpk= 3041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1361, 805,
igr2=1547,1548,1547,1548,
&end
#
# 0 AMB 20-2:3043 29 ALA HA 5.50 (# 3043:20 Single Ambig)
&rst
ixpk= 3043, nxpk= 20, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 421, 422, 396, 362, 340,
&end
#
# 0 AMB 20-2:3047 29 ALA MB 4.50 (# 3047:20 Single Ambig)
&rst
ixpk= 3047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 421, 422, 340, 396,
igr2= 413, 414, 415,
&end
#
# 0 AMB 20-2:3048 29 ALA MB 7.00 (# 3048:20 Single Ambig)
&rst
ixpk= 3048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=2111, 398, 399,
igr2= 413, 414, 415,
&end
#
# 146 LEU MDY 29 ALA MB 7.00 (# 3051:20 Unique 5.03, 7.70 A)
&rst
ixpk= 3051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=2165,2166,2167,2169,2170,2171,
igr2= 413, 414, 415,
&end
#
# 143 VAL MGX 29 ALA MB 4.50 (# 3052:20 Unique 1.99, 4.08 A)
&rst
ixpk= 3052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2113,2114,2115,2117,2118,2119,
igr2= 413, 414, 415,
&end
#
# 31 PHE HN 30 GLY HA+ 7.00 (# 3053:20 Unique 3.11, 3.27 A)
&rst
ixpk= 3053, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 421, 422,
&end
#
# 31 PHE HN 30 GLY HA- 7.00 (# 3054:20 Unique 3.11, 3.27 A)
&rst
ixpk= 3054, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 421, 422,
&end
#
# 33 THR MG2 31 PHE HB+ 7.00 (# 3055:20 Unique 3.78, 5.50 A)
&rst
ixpk= 3055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 466, 467, 468,
igr2= 430, 431,
&end
#
# 33 THR HA 32 THR HA 4.50 (# 3057:20 Unique 4.43, 4.44 A)
&rst
ixpk= 3057, nxpk= 20, iat= 462, 448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 THR HN 32 THR HA 4.50 (# 3059:20 Unique 2.93, 2.94 A)
&rst
ixpk= 3059, nxpk= 20, iat= 446, 448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 THR HN 32 THR HA 3.50 (# 3061:20 Unique 2.24, 2.25 A)
&rst
ixpk= 3061, nxpk= 20, iat= 460, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 THR HB 32 THR HA 3.50 (# 3062:20 Unique 2.58, 2.58 A)
&rst
ixpk= 3062, nxpk= 20, iat= 450, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 THR MG2 32 THR HA 4.50 (# 3063:20 Unique 2.32, 2.94 A)
&rst
ixpk= 3063, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 452, 453, 454,
&end
#
# 2 ALA MB 32 THR HB 4.50 (# 3064:20 Unique 2.02, 3.16 A)
&rst
ixpk= 3064, nxpk= 20, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 25, 26, 27,
&end
#
# 4 ILE HN 32 THR MG2 7.00 (# 3065:20 Unique 6.31, 6.46 A)
&rst
ixpk= 3065, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 452, 453, 454,
&end
#
# 3 ASP HN 33 THR HA 7.00 (# 3068:20 Unique 3.35, 3.49 A)
&rst
ixpk= 3068, nxpk= 20, iat= 31, 462, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 4 ILE HB 33 THR HA 7.00 (# 3069:20 Unique 2.42, 2.48 A)
&rst
ixpk= 3069, nxpk= 20, iat= 47, 462, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 ALA MB 33 THR HB 7.00 (# 3070:20 Unique 3.86, 4.97 A)
&rst
ixpk= 3070, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 317, 318, 319,
&end
#
# 33 THR HN 33 THR HB 7.00 (# 3072:20 Unique 3.89, 3.92 A)
&rst
ixpk= 3072, nxpk= 20, iat= 460, 464, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 THR HA 33 THR HB 7.00 (# 3073:20 Unique 5.32, 5.37 A)
&rst
ixpk= 3073, nxpk= 20, iat= 491, 464, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 34 GLU HA 33 THR HB 7.00 (# 3074:20 Unique 4.79, 4.82 A)
&rst
ixpk= 3074, nxpk= 20, iat= 476, 464, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:3075 33 THR HB 7.00 (# 3075:20 Single Ambig)
&rst
ixpk= 3075, nxpk= 20, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 364, 365, 383, 384,
&end
#
# 23 ALA HA 33 THR MG2 3.50 (# 3077:20 Unique 3.64, 4.42 A)
&rst
ixpk= 3077, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 466, 467, 468,
&end
#
# 0 AMB 20-2:3078 33 THR MG2 4.50 (# 3078:20 Single Ambig)
&rst
ixpk= 3078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 383, 384, 383, 384,
igr2= 466, 467, 468,
&end
#
# 0 AMB 20-2:3079 33 THR MG2 2.80 (# 3079:20 Single Ambig)
&rst
ixpk= 3079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 85, 86, 87, 89, 90, 91, 49, 50, 51, 369,
370, 371, 373, 374, 375,
igr2= 466, 467, 468,
&end
#
# 34 GLU HN 34 GLU HA 7.00 (# 3080:20 Unique 2.95, 2.95 A)
&rst
ixpk= 3080, nxpk= 20, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 113 GLY HN 111 ASN HA 7.00 (# 3081:20 Unique 3.58, 3.75 A)
&rst
ixpk= 3081, nxpk= 20, iat=1649,1626, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 34 GLU HG+ 34 GLU HA 4.50 (# 3083:20 Unique 2.06, 2.59 A)
&rst
ixpk= 3083, nxpk= 20, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 481, 482,
&end
#
# 34 GLU HB- 34 GLU HA 3.50 (# 3084:20 Unique 2.75, 2.84 A)
&rst
ixpk= 3084, nxpk= 20, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 478, 479,
&end
#
# 36 LEU MDY 34 GLU HA 7.00 (# 3085:20 Unique 3.77, 5.71 A)
&rst
ixpk= 3085, nxpk= 20, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 36 LEU MDY 34 GLU HB+ 7.00 (# 3086:20 Unique 2.27, 4.34 A)
&rst
ixpk= 3086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 478, 479,
&end
#
# 34 GLU HG- 34 GLU HB- 4.50 (# 3087:20 Unique 2.21, 2.69 A)
&rst
ixpk= 3087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 481, 482,
igr2= 478, 479,
&end
#
# 34 GLU HG- 34 GLU HB+ 4.50 (# 3088:20 Unique 2.21, 2.69 A)
&rst
ixpk= 3088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 481, 482,
igr2= 478, 479,
&end
#
# 74 GLN HE2- 74 GLN HG- 7.00 (# 3091:20 Unique 2.15, 3.24 A)
&rst
ixpk= 3091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1072,1073,
igr2=1067,1068,
&end
#
# 34 GLU HB- 34 GLU HG- 2.80 (# 3093:20 Unique 2.21, 2.69 A)
&rst
ixpk= 3093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 478, 479,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:3094 0 AMB 20-1:3094 2.80 (# 3094:20 Double Ambig)
&rst
ixpk= 3094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1067,1068, 478, 479,1572,1573,
igr2=1575,1576, 481, 482,
&end
#
# 35 THR HN 34 GLU HG+ 7.00 (# 3097:20 Unique 3.36, 4.19 A)
&rst
ixpk= 3097, nxpk= 20, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:3100 0 AMB 20-1:3100 7.00 (# 3100:20 Double Ambig)
&rst
ixpk= 3100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 64, 45,
igr2= 481, 482, 481, 482,
&end
#
# 34 GLU HA 34 GLU HG- 7.00 (# 3101:20 Unique 2.06, 2.59 A)
&rst
ixpk= 3101, nxpk= 20, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 481, 482,
&end
#
# 3 ASP HN 32 THR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 31, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
&end
#
# 4 ILE HN 32 THR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 43, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 ILE HN 33 THR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 LEU HN 34 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 76, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HN 36 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 76, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HN 51 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 62, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HA 51 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 78, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HN 43 ASP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 76, 613, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 7 ILE HN 51 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 95, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ILE HN 52 VAL HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 95, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ILE HN 53 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 95, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 SER HA 53 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 116, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 SER HN 36 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 114, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ALA HN 31 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 434, 442,
&end
#
# 30 GLY HN 31 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 434, 442,
&end
#
# 31 PHE HN 31 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 434, 442,
&end
#
# 32 THR HN 31 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 434, 442,
&end
#
# 36 LEU HN 8 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 503, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 LEU HN 6 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 503, 76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 GLY HN 8 SER HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 539, 114, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 LEU HN 43 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 560, 613, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLU HN 44 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 598, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ALA HN 50 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 658, 715, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 SER HN 50 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 668, 715, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 SER HN 45 PRO HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 668, 651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 SER HN 45 PRO HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 668, 652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 GLY HN 84 ARG HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 679,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 ILE HA 84 ARG HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 688,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HN 84 ARG HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 705,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HN 85 PHE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 705,1239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HN 86 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 705,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 LEU HA 86 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 731,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HN 86 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 748,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HN 87 ALA HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 748,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HN 88 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 748,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 SER HN 88 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 783,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 GLY HA2 56 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 855, 807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 GLY HA3 56 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 856, 807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 ASN HN 67 SER HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 917, 950, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 47 SER HB2 82 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1191,1192,1193,
&end
#
# 47 SER HB3 82 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1191,1192,1193,
&end
#
# 67 SER HN 68 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 950, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 SER HN 68 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 950, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 PHE HN 68 PRO HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 975, 968, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 PHE HN 68 PRO HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 975, 969, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 PHE HN 68 PRO HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 975, 971, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 PHE HN 68 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 975, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 PHE HN 68 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 975, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 70 TYR HN 73 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 995,1048, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 ALA HA 71 GLU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1033,1020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 ALA HA 71 GLU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1033,1021, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 LEU HN 41 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 588, 589, 590,
&end
#
# 73 LEU HA 41 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 588, 589, 590,
&end
#
# 77 LYS HN 78 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1109,1132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 LYS HN 78 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1109,1133, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 LYS HA 78 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1111,1132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 LYS HA 78 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1111,1133, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 ASP HN 78 PRO QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1135,1136,
&end
#
# 80 LEU HN 83 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1203,1204,1205,
&end
#
# 80 LEU QD1 50 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1166,1167,1168,
&end
#
# 85 PHE HN 116 GLN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1237,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 PHE HN 117 THR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1237,1705, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 PHE HN 115 LYS HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1237,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 GLY HA2 117 THR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1259,1705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 GLY HA3 117 THR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 ILE HA 121 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1276,1755, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 GLY HN 121 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1293,1755, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 GLY HN 122 LYS HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1293,1776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 GLY HN 123 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1293,1796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 ALA QB 47 SER HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1191,1192,1193,
&end
#
# 82 ALA QB 47 SER HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1191,1192,1193,
&end
#
# 83 VAL QG1 50 TRP HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1203,1204,1205,
&end
#
# 83 VAL QG2 50 TRP HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1207,1208,1209,
&end
#
# 83 VAL QG1 47 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1203,1204,1205,
&end
#
# 83 VAL QG1 81 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1203,1204,1205,
&end
#
# 83 VAL QG1 82 ALA HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1203,1204,1205,
&end
#
# 48 GLY HN 83 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1203,1204,1205,
&end
#
# 48 GLY HN 83 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1207,1208,1209,
&end
#
# 85 PHE HN 83 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1207,1208,1209,
&end
#
# 86 GLY HN 85 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1245,1253,
&end
#
# 87 ALA QB 120 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1268,1269,1270,
&end
#
# 87 ALA QB 120 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1268,1269,1270,
igr2=1747,1748,1749,
&end
#
# 89 GLY HN 88 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1280,1281,1282,
&end
#
# 89 GLY HN 88 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1284,1285,
&end
#
# 88 ILE HN 90 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1306,1307,1308,
&end
#
# 84 ARG HE 117 THR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1226,1705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 THR QG2 95 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1415,1416,1417,
&end
#
# 105 LEU QD2 70 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1537,1538,1539,
igr2=1003,1012,
&end
#
# 108 GLU HN 105 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1533,1534,1535,
&end
#
# 108 GLU HN 105 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1537,1538,1539,
&end
#
# 83 VAL HN 114 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1660,1661,1662,
&end
#
# 114 ALA QB 83 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1660,1661,1662,
&end
#
# 115 LYS HN 84 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1666,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 LYS HB2 84 ARG HA 7.00
&rst
ixpk= 0, nxpk= 0, iat=1670,1215, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 115 LYS HB3 84 ARG HA 7.00
&rst
ixpk= 0, nxpk= 0, iat=1671,1215, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 117 THR HN 84 ARG HE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1705,1226, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 THR HB 84 ARG HE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1709,1226, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 GLY HN 117 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1711,1712,1713,
&end
#
# 119 GLU HN 117 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1711,1712,1713,
&end
#
# 119 GLU HN 138 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1726,2032, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 THR HN 119 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1741,1733, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 THR HN 119 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1741,1734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 ILE HA 131 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1910,1928, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 ILE HA 131 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1910,1929, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 TRP HA 121 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat=2024,1762, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 TRP HA 121 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1764,1765,1766,
&end
#
# 139 LEU HN 121 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat=2046,1762, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 LEU HN 121 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1764,1765,1766,
&end
#
# 4 ILE HN 3 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 31, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 ILE HN 3 ASP HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 43, 33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ILE HN 3 ASP HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 43, 36, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 4 ILE HN 3 ASP HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 43, 35, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 5 THR HN 4 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 43, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 THR HN 4 ILE HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 45, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 THR HN 4 ILE HB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 62, 47, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 6 LEU HN 5 THR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 76, 62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 LEU HN 5 THR HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 76, 64, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 LEU HN 5 THR HB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 76, 66, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 7 ILE HN 6 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 76, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ILE HN 6 LEU HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 78, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 ILE HN 6 LEU HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 95, 81, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 7 ILE HN 6 LEU HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 95, 80, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 8 SER HN 7 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 114, 95, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 SER HN 7 ILE HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 114, 97, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 8 SER HN 7 ILE HB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 114, 99, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 10 SER HN 9 GLY HA2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 132, 127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 SER HN 9 GLY HA3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 132, 128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 VAL HN 17 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 236, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 VAL HN 17 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 236, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 VAL HN 17 TYR HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 236, 220, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 18 VAL HN 17 TYR HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 236, 219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 19 ALA HN 18 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 252, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 VAL HN 18 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 236, 238, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 VAL HN 18 VAL HB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 20 GLU HN 19 ALA HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 262, 252, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLU HN 19 ALA QB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 256, 257, 258,
&end
#
# 21 HIS HN 20 GLU HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 277, 262, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 21 HIS HN 20 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 264, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 HIS HN 20 GLU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 277, 267, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 21 HIS HN 20 GLU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 277, 266, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 21 HIS HN 18 VAL HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 238, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 LEU HN 21 HIS HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 294, 277, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 22 LEU HN 21 HIS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 LEU HN 21 HIS HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 294, 282, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 22 LEU HN 21 HIS HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 294, 281, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 22 LEU HN 19 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 ALA HN 22 LEU HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 313, 294, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 23 ALA HN 22 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 313, 296, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 ALA HN 22 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 313, 299, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 23 ALA HN 22 LEU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 313, 298, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 23 ALA HN 21 HIS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 313, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 GLU HN 23 ALA HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 323, 313, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 24 GLU HN 23 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 323, 315, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 GLU HN 23 ALA QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 317, 318, 319,
&end
#
# 24 GLU HN 21 HIS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 323, 279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 GLU HN 22 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 323, 294, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 LYS HN 24 GLU HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 338, 323, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 25 LYS HN 24 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 338, 325, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 LYS HN 24 GLU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 338, 328, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 25 LYS HN 24 GLU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 338, 327, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 25 LYS HN 22 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 338, 296, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LEU HN 25 LYS HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 360, 338, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 26 LEU HN 25 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 360, 340, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LEU HN 25 LYS HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 360, 343, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 26 LEU HN 25 LYS HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 360, 342, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 26 LEU HN 23 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 360, 315, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LEU HN 24 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 360, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 GLU HN 26 LEU HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 379, 360, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 27 GLU HN 26 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 379, 362, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 GLU HN 26 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 379, 365, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 27 GLU HN 26 LEU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 379, 364, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 27 GLU HN 24 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 379, 325, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 GLU HN 25 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 379, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 GLU HN 27 GLU HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 394, 379, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 28 GLU HN 27 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 381, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 GLU HN 27 GLU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 394, 384, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 28 GLU HN 27 GLU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 394, 383, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 28 GLU HN 25 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 340, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 GLU HN 26 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ALA HN 28 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ALA HN 28 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 409, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 ALA HN 28 GLU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 409, 399, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 29 ALA HN 28 GLU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 409, 398, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 29 ALA HN 26 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 409, 362, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 GLY HN 29 ALA HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 419, 409, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 GLY HN 29 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 411, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 GLY HN 29 ALA QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 413, 414, 415,
&end
#
# 30 GLY HN 27 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 381, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 GLY HN 28 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 394, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PHE HN 30 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 419, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PHE HN 30 GLY HA2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 426, 421, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PHE HN 30 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PHE HN 29 ALA HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 409, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 THR HN 31 PHE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 426, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 THR HN 31 PHE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 THR HN 31 PHE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 430, 431,
&end
#
# 33 THR HN 32 THR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 460, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 THR HN 32 THR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 460, 448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 THR HN 32 THR HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 460, 450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 GLU HN 33 THR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 474, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLU HN 33 THR HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= 474, 462, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 34 GLU HN 33 THR HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 474, 464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 THR HN 34 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 489, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 THR HN 34 GLU HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= 489, 476, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 35 THR HN 34 GLU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 489, 478, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 THR HN 34 GLU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 489, 478, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 70 TYR HN 69 PHE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 995, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 TYR HN 69 PHE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 995, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 70 TYR HN 69 PHE HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 995, 979, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 70 TYR HN 69 PHE HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 995, 980, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 71 GLU HN 70 TYR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1016, 995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 GLU HN 70 TYR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1016, 997, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 ALA HN 71 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1031,1016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 ALA HN 71 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1031,1018, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 ALA HN 71 GLU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1031,1020, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 72 ALA HN 71 GLU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1031,1021, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 72 ALA HN 70 TYR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1031, 995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 ALA HN 69 PHE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1031, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 LEU HN 72 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1041,1033, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 LEU HN 72 ALA QB 4.70
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1035,1036,1037,
&end
#
# 73 LEU HN 71 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1041,1016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 LEU HN 70 TYR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1041, 997, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 GLN HN 73 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1060,1041, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 GLN HN 73 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1060,1043, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 GLN HN 73 LEU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1060,1045, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 74 GLN HN 73 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1060,1046, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 75 GLU HN 74 GLN HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1077,1060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 GLU HN 74 GLN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1062, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 75 GLU HN 74 GLN HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1077,1064, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 75 GLU HN 74 GLN HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1077,1065, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 75 GLU HN 73 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 GLU HN 72 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1033, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 GLN HN 75 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1092,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 GLN HN 75 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1092,1079, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 GLN HN 75 GLU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1092,1081, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 76 GLN HN 75 GLU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1092,1082, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 76 GLN HN 73 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1092,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 LYS HN 103 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1492, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 LYS HN 103 ASP HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1502,1494, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 104 LYS HN 103 ASP HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1502,1495, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 105 LEU HN 104 LYS HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1524,1502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 LEU HN 104 LYS HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1524,1506, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 105 LEU HN 104 LYS HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1524,1507, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 106 GLU HN 105 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1543,1524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 GLU HN 105 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1543,1526, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 GLU HN 105 LEU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1543,1528, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 106 GLU HN 105 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1543,1529, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 106 GLU HN 104 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1543,1502, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 GLU HN 103 ASP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1543,1492, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 ALA HN 106 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1558,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 ALA HN 106 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1558,1545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 ALA HN 106 GLU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1558,1547, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 107 ALA HN 106 GLU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1558,1548, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 107 ALA HN 105 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1558,1524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 ALA HN 103 ASP HA 4.70
&rst
ixpk= 0, nxpk= 0, iat=1558,1492, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 108 GLU HN 107 ALA HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1568,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 GLU HN 107 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1568,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 GLU HN 107 ALA QB 4.70
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1562,1563,1564,
&end
#
# 108 GLU HN 106 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1568,1543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 LEU HN 108 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1583,1568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 LEU HN 108 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1570, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 109 LEU HN 108 GLU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1583,1572, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 109 LEU HN 108 GLU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1583,1573, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 109 LEU HN 107 ALA HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 LEU HN 106 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 LYS HN 109 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1602,1583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 LYS HN 109 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1585, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 LYS HN 109 LEU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1602,1587, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 110 LYS HN 109 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1602,1588, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 110 LYS HN 108 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1568, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 LYS HN 107 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 ASN HN 110 LYS HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1624,1602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 ASN HN 110 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1604, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 ASN HN 110 LYS HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1624,1606, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 111 ASN HN 110 LYS HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1624,1607, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 111 ASN HN 109 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 ASN HN 108 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1570, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 ASN HN 107 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 SER HN 111 ASN HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1638,1624, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 SER HN 111 ASN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1638,1626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 SER HN 111 ASN HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1638,1628, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 112 SER HN 111 ASN HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1638,1629, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 112 SER HN 110 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1638,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 SER HN 110 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1638,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 SER HN 109 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1638,1585, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 113 GLY HN 112 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1649,1638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 GLY HN 112 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1649,1640, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 113 GLY HN 112 SER HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1649,1642, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 113 GLY HN 112 SER HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1649,1643, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 113 GLY HN 111 ASN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1649,1624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 GLY HN 110 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1649,1604, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 138 TRP HN 137 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2009, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 139 LEU HN 138 TRP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2046,2022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 LEU HN 138 TRP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=2046,2024, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 139 LEU HN 138 TRP HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2046,2026, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 139 LEU HN 138 TRP HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=2046,2027, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 140 GLY HN 139 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2065,2046, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 GLY HN 139 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=2065,2048, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 140 GLY HN 139 LEU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2065,2050, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 140 GLY HN 139 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=2065,2051, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 140 GLY HN 137 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2065,2009, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 141 SER HN 140 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2072,2065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 SER HN 140 GLY HA2 4.00
&rst
ixpk= 0, nxpk= 0, iat=2072,2067, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 141 SER HN 140 GLY HA3 4.00
&rst
ixpk= 0, nxpk= 0, iat=2072,2068, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 141 SER HN 138 TRP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2072,2024, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 142 TRP HN 141 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2083,2072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 TRP HN 141 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=2083,2074, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 142 TRP HN 141 SER HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2083,2076, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 142 TRP HN 141 SER HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=2083,2077, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 143 VAL HN 142 TRP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2107,2083, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 VAL HN 142 TRP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2085, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 143 VAL HN 142 TRP HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2107,2087, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 143 VAL HN 142 TRP HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=2107,2088, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 144 ASN HN 143 VAL HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2123,2107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 ASN HN 143 VAL HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=2123,2109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 144 ASN HN 143 VAL HB 4.70
&rst
ixpk= 0, nxpk= 0, iat=2123,2111, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 144 ASN HN 141 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2123,2074, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 145 LEU HN 144 ASN HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2137,2123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 LEU HN 144 ASN HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2137,2127, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 145 LEU HN 144 ASN HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=2137,2128, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 145 LEU HN 143 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2137,2107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 146 LEU HN 145 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2156,2137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LEU HN 145 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2139, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 LEU HN 145 LEU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2156,2141, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 146 LEU HN 145 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=2156,2142, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 146 LEU HN 144 ASN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 146 LEU HN 143 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 146 LEU HN 146 LEU HN 4.50
#This appears to be self-referential: ignoring
#
# 146 LEU HN 146 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 LEU HN 146 LEU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2156,2160, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 146 LEU HN 146 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=2156,2161, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 146 LEU HN 145 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2139, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 146 LEU HN 144 ASN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2125, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:11 6 LEU HN 3.20 (# 11:10 Single Ambig)
&rst
ixpk= 11, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 80, 81, 510,
&end
#
# 0 AMB 10-2:15 50 TRP HN 3.20 (# 15:10 Single Ambig)
&rst
ixpk= 15, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1239, 713,
&end
#
# 0 AMB 10-2:31 36 LEU HN 2.60 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 510, 80, 81,
&end
#
# 0 AMB 10-2:43 84 ARG HN 4.00 (# 43:10 Single Ambig)
&rst
ixpk= 43, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 679,1197, 686,
&end
#
# 0 AMB 10-2:59 52 VAL HN 4.80 (# 59:10 Single Ambig)
&rst
ixpk= 59, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=1284,1285, 738, 739, 740, 742, 743, 744, 774, 775,
777, 778, 779,
&end
#
# 0 AMB 10-2:61 116 GLN HN 4.80 (# 61:10 Single Ambig)
&rst
ixpk= 61, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1666,1602,
&end
#
# 0 AMB 10-2:65 116 GLN HN 3.00 (# 65:10 Single Ambig)
&rst
ixpk= 65, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1690,1241,1242,
&end
#
# 0 AMB 10-2:67 116 GLN HN 4.80 (# 67:10 Single Ambig)
&rst
ixpk= 67, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1695,1696,1547,1548,
&end
#
# 0 AMB 10-2:92 117 THR HN 2.40 (# 92:10 Single Ambig)
&rst
ixpk= 92, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1=1690,1259,1260,
&end
#
# 0 AMB 10-2:105 84 ARG HE 2.60 (# 105:10 Single Ambig)
&rst
ixpk= 105, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1=2093,2096,
&end
#
# 0 AMB 10-2:112 5 THR HN 2.40 (# 112:10 Single Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr1= 45, 64,
&end
#
# 0 AMB 10-2:114 5 THR HN 4.80 (# 114:10 Single Ambig)
&rst
ixpk= 114, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 53, 54, 25, 26, 27,
&end
#
# 0 AMB 10-2:124 51 LEU HN 5.00 (# 124:10 Single Ambig)
&rst
ixpk= 124, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 713,1239,
&end
#
# 0 AMB 10-2:137 51 LEU HN 4.80 (# 137:10 Single Ambig)
&rst
ixpk= 137, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 738, 739, 740, 742, 743, 744, 105, 106,
&end
#
# 0 AMB 10-2:154 50 TRP HE1 4.00 (# 154:10 Single Ambig)
&rst
ixpk= 154, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 629, 630,1201,
&end
#
# 0 AMB 10-2:184 82 ALA HN 4.00 (# 184:10 Single Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1180,1181,1180,1181,
&end
#
# 0 AMB 10-2:200 0 AMB 10-1:200 4.30 (# 200:10 Double Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 474, 394,
igr2= 489, 360,
&end
#
# 0 AMB 10-2:269 23 ALA HN 3.20 (# 269:10 Single Ambig)
&rst
ixpk= 269, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 315, 296,
&end
#
# 0 AMB 10-2:270 23 ALA HN 5.00 (# 270:10 Single Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 301, 266, 267,
&end
#
# 0 AMB 10-2:300 109 LEU HN 3.00 (# 300:10 Single Ambig)
&rst
ixpk= 300, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1585,1545,
&end
#
# 0 AMB 10-2:309 72 ALA HN 3.80 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1018, 997,
&end
#
# 0 AMB 10-2:313 72 ALA HN 5.20 (# 313:10 Single Ambig)
&rst
ixpk= 313, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1048, 583, 584,
&end
#
# 0 AMB 10-2:322 27 GLU HN 4.00 (# 322:10 Single Ambig)
&rst
ixpk= 322, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 409, 338,
&end
#
# 0 AMB 10-2:331 139 LEU HN 3.20 (# 331:10 Single Ambig)
&rst
ixpk= 331, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=2022,2007,
&end
#
# 0 AMB 10-2:371 104 LYS HN 3.50 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1492, 907,
&end
#
# 0 AMB 10-2:423 88 ILE HN 4.00 (# 423:10 Single Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1284,1285, 774, 775,
&end
#
# 0 AMB 10-2:439 70 TYR HN 5.50 (# 439:10 Single Ambig)
&rst
ixpk= 439, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 940, 941, 942, 944, 945, 946, 588, 589, 590, 592,
593, 594,
&end
#
# 0 AMB 10-2:448 110 LYS HN 4.00 (# 448:10 Single Ambig)
&rst
ixpk= 448, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1585,1545,
&end
#
# 0 AMB 10-2:478 107 ALA HN 6.50 (# 478:10 Single Ambig)
&rst
ixpk= 478, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
igr1=1609,1610,1531,1045,1046,
&end
#
# 0 AMB 10-2:481 106 GLU HN 4.50 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1531,1609,1610,
&end
#
# 0 AMB 10-2:488 106 GLU HN 4.50 (# 488:10 Single Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1330,1331,1526,
&end
#
# 0 AMB 10-2:498 21 HIS HN 3.00 (# 498:10 Single Ambig)
&rst
ixpk= 498, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 262, 252,
&end
#
# 0 AMB 10-2:517 73 LEU HN 4.00 (# 517:10 Single Ambig)
&rst
ixpk= 517, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1033, 977,
&end
#
# 0 AMB 10-2:560 25 LYS HN 4.00 (# 560:10 Single Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 296, 315,
&end
#
# 0 AMB 10-2:582 71 GLU HN 3.20 (# 582:10 Single Ambig)
&rst
ixpk= 582, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1031,1041,
&end
#
# 0 AMB 10-2:585 71 GLU HN 3.00 (# 585:10 Single Ambig)
&rst
ixpk= 585, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1018, 997,
&end
#
# 0 AMB 10-2:613 85 PHE HN 3.30 (# 613:10 Single Ambig)
&rst
ixpk= 613, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1241,1242,1690,
&end
#
# 0 AMB 10-2:619 75 GLU HN 4.00 (# 619:10 Single Ambig)
&rst
ixpk= 619, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1041,1031,
&end
#
# 0 AMB 10-2:620 75 GLU HN 3.80 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1062,1018,
&end
#
# 0 AMB 10-2:625 65 ASN HN 4.00 (# 625:10 Single Ambig)
&rst
ixpk= 625, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 909, 910, 864, 865,
&end
#
# 0 AMB 10-2:667 91 GLY HN 5.00 (# 667:10 Single Ambig)
&rst
ixpk= 667, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1310,1311,1268,1269,1270,
&end
#
# 0 AMB 10-2:677 56 THR HN 4.00 (# 677:10 Single Ambig)
&rst
ixpk= 677, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 809,1321,1322,
&end
#
# 0 AMB 10-2:682 0 AMB 10-1:682 4.50 (# 682:10 Double Ambig)
&rst
ixpk= 682, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2024,1033,
igr2=2072,1060,
&end
#
# 0 AMB 10-2:705 42 GLU HN 4.10 (# 705:10 Single Ambig)
&rst
ixpk= 705, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 583, 584, 567,
&end
#
# 0 AMB 10-2:717 77 LYS HN 4.20 (# 717:10 Single Ambig)
&rst
ixpk= 717, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1096,1097,1135,1136,
&end
#
# 0 AMB 10-2:725 81 SER HN 3.20 (# 725:10 Single Ambig)
&rst
ixpk= 725, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1159,1658,
&end
#
# 0 AMB 10-2:755 32 THR HN 4.00 (# 755:10 Single Ambig)
&rst
ixpk= 755, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 450, 33,
&end
#
# 0 AMB 10-2:765 0 AMB 10-1:765 5.00 (# 765:10 Double Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1572,1573,1575,1576,
igr2=1633,1634,1633,1634,
&end
#
# 0 AMB 10-2:769 0 AMB 10-1:769 4.20 (# 769:10 Double Ambig)
&rst
ixpk= 769, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 583, 584,1138,1139,
igr2=1104,1105,1104,1105,
&end
#
# 0 AMB 10-2:785 0 AMB 10-1:785 4.00 (# 785:10 Double Ambig)
&rst
ixpk= 785, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1064,1065,1067,1068,
igr2=1072,1073,1072,1073,
&end
#
# 0 AMB 10-2:787 74 GLN HE2- 4.00 (# 787:10 Single Ambig)
&rst
ixpk= 787, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1064,1065,1067,1068,
igr2=1072,1073,
&end
#
# 0 AMB 10-2:793 33 THR HN 3.00 (# 793:10 Single Ambig)
&rst
ixpk= 793, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 386, 387, 386, 387,
&end
#
# 0 AMB 10-2:825 113 GLY HN 2.40 (# 825:10 Single Ambig)
&rst
ixpk= 825, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr1=1656,1638,
&end
#
# 0 AMB 10-2:833 48 GLY HN 2.40 (# 833:10 Single Ambig)
&rst
ixpk= 833, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr1=1199, 670,
&end
#
# 0 AMB 10-2:871 6 LEU HN 4.80 (# 871:10 Single Ambig)
&rst
ixpk= 871, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 83, 317, 318, 319,
&end
#
# 0 AMB 10-2:879 36 LEU HN 4.50 (# 879:10 Single Ambig)
&rst
ixpk= 879, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 493, 254,
&end
#
# 0 AMB 10-2:912 122 LYS HN 4.00 (# 912:10 Single Ambig)
&rst
ixpk= 912, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1762,1280,1281,1282,
&end
#
# 0 AMB 10-2:921 5 THR HN 4.50 (# 921:10 Single Ambig)
&rst
ixpk= 921, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 629, 630, 53, 54,
&end
#
# 0 AMB 10-2:923 5 THR HN 4.50 (# 923:10 Single Ambig)
&rst
ixpk= 923, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 47, 696, 697,
&end
#
# 0 AMB 10-2:928 5 THR HN 5.00 (# 928:10 Single Ambig)
&rst
ixpk= 928, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 76,1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 10-2:944 120 THR HN 4.50 (# 944:10 Single Ambig)
&rst
ixpk= 944, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1755,1361,
&end
#
# 0 AMB 10-2:947 50 TRP HE1 5.50 (# 947:10 Single Ambig)
&rst
ixpk= 947, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 686, 679,
&end
#
# 0 AMB 10-2:952 50 TRP HE1 6.00 (# 952:10 Single Ambig)
&rst
ixpk= 952, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 662, 663, 664, 632,
&end
#
# 0 AMB 10-2:953 50 TRP HE1 5.00 (# 953:10 Single Ambig)
&rst
ixpk= 953, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 68, 69, 70,1166,1167,1168,1170,1171,1172,1166,
1167,1168,1170,1171,1172,
&end
#
# 0 AMB 10-2:955 50 TRP HE1 6.50 (# 955:10 Single Ambig)
&rst
ixpk= 955, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 681, 682, 654,1159,
&end
#
# 0 AMB 10-2:967 87 ALA HN 4.80 (# 967:10 Single Ambig)
&rst
ixpk= 967, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1257,1741,
&end
#
# 0 AMB 10-2:974 147 LYS HN 6.50 (# 974:10 Single Ambig)
&rst
ixpk= 974, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 0 AMB 10-2:987 41 LEU HN 5.50 (# 987:10 Single Ambig)
&rst
ixpk= 987, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 613,1104,1105,
&end
#
# 0 AMB 10-2:991 26 LEU HN 5.50 (# 991:10 Single Ambig)
&rst
ixpk= 991, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 348, 349, 317, 318, 319, 83,
&end
#
# 0 AMB 10-2:1008 114 ALA HN 4.80 (# 1008:10 Single Ambig)
&rst
ixpk= 1008, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1642,1643,1180,1181,
&end
#
# 0 AMB 10-2:1019 23 ALA HN 6.00 (# 1019:10 Single Ambig)
&rst
ixpk= 1019, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 256, 257, 258, 774, 775,
&end
#
# 0 AMB 10-2:1027 69 PHE HN 4.00 (# 1027:10 Single Ambig)
&rst
ixpk= 1027, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 971, 145,
&end
#
# 0 AMB 10-2:1036 72 ALA HN 5.00 (# 1036:10 Single Ambig)
&rst
ixpk= 1036, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1023,1024,1084,1085,
&end
#
# 0 AMB 10-2:1043 111 ASN HN 5.00 (# 1043:10 Single Ambig)
&rst
ixpk= 1043, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1609,1610,1045,1046,
&end
#
# 0 AMB 10-2:1046 111 ASN HN 5.00 (# 1046:10 Single Ambig)
&rst
ixpk= 1046, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1585,1545,
&end
#
# 0 AMB 10-2:1049 111 ASN HN 4.50 (# 1049:10 Single Ambig)
&rst
ixpk= 1049, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1649,1568,
&end
#
# 0 AMB 10-2:1055 27 GLU HN 4.00 (# 1055:10 Single Ambig)
&rst
ixpk= 1055, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 362, 340,
&end
#
# 0 AMB 10-2:1070 49 ILE HN 5.20 (# 1070:10 Single Ambig)
&rst
ixpk= 1070, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1213, 43,
&end
#
# 0 AMB 10-2:1083 94 GLU HN 4.00 (# 1083:10 Single Ambig)
&rst
ixpk= 1083, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1341,1342,1368,1369,
&end
#
# 0 AMB 10-2:1088 44 LEU HN 4.50 (# 1088:10 Single Ambig)
&rst
ixpk= 1088, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 68, 69, 70, 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 10-2:1101 18 VAL HN 6.30 (# 1101:10 Single Ambig)
&rst
ixpk= 1101, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 207, 208, 298, 299,
&end
#
# 0 AMB 10-2:1133 70 TYR HN 6.20 (# 1133:10 Single Ambig)
&rst
ixpk= 1133, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 9.38, r4= 9.88,
igr1=1533,1534,1535,1537,1538,1539, 588, 589, 590, 592,
593, 594,
&end
#
# 0 AMB 10-2:1134 70 TYR HN 5.50 (# 1134:10 Single Ambig)
&rst
ixpk= 1134, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 940, 941, 942, 944, 945, 946,1533,1534,1535,1537,
1538,1539,
&end
#
# 0 AMB 10-2:1154 110 LYS HN 5.00 (# 1154:10 Single Ambig)
&rst
ixpk= 1154, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1590,1562,1563,1564,
&end
#
# 0 AMB 10-2:1171 107 ALA HN 4.80 (# 1171:10 Single Ambig)
&rst
ixpk= 1171, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1492,1570,
&end
#
# 0 AMB 10-2:1185 73 LEU HN 4.00 (# 1185:10 Single Ambig)
&rst
ixpk= 1185, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1077, 995,
&end
#
# 0 AMB 10-2:1214 67 SER HN 6.00 (# 1214:10 Single Ambig)
&rst
ixpk= 1214, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 999,1000, 979, 980,
&end
#
# 0 AMB 10-2:1242 10 SER HN 3.00 (# 1242:10 Single Ambig)
&rst
ixpk= 1242, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 127, 128, 787, 788,
&end
#
# 0 AMB 10-2:1268 65 ASN HN 3.80 (# 1268:10 Single Ambig)
&rst
ixpk= 1268, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 921, 922, 999,1000,
&end
#
# 0 AMB 10-2:1282 24 GLU HN 4.50 (# 1282:10 Single Ambig)
&rst
ixpk= 1282, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 294, 379,
&end
#
# 0 AMB 10-2:1286 4 ILE HN 4.50 (# 1286:10 Single Ambig)
&rst
ixpk= 1286, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 23, 66,
&end
#
# 0 AMB 10-2:1318 77 LYS HN 4.00 (# 1318:10 Single Ambig)
&rst
ixpk= 1318, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1096,1097,1081,1082,
&end
#
# 0 AMB 10-2:1340 89 GLY HN 4.50 (# 1340:10 Single Ambig)
&rst
ixpk= 1340, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1806,1807,1781,1782,
&end
#
# 0 AMB 10-2:1358 0 AMB 10-1:1358 4.00 (# 1358:10 Double Ambig)
&rst
ixpk= 1358, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 583, 584,1113,1114,1138,1139,
igr2=1104,1105,1633,1634,
&end
#
# 0 AMB 10-2:1361 143 VAL HN 4.80 (# 1361:10 Single Ambig)
&rst
ixpk= 1361, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2067,2068,2076,2077,
&end
#
# 0 AMB 10-2:1362 143 VAL HN 4.20 (# 1362:10 Single Ambig)
&rst
ixpk= 1362, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2048,2076,2077,
&end
#
# 0 AMB 10-2:1377 0 AMB 10-1:1377 4.20 (# 1377:10 Double Ambig)
&rst
ixpk= 1377, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 464, 541, 542,
igr2= 460, 176,
&end
#
# 0 AMB 10-2:1378 33 THR HN 5.00 (# 1378:10 Single Ambig)
&rst
ixpk= 1378, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 474, 426,
&end
#
# 0 AMB 10-2:1380 47 SER HN 4.00 (# 1380:10 Single Ambig)
&rst
ixpk= 1380, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 679, 686,
&end
#
# 0 AMB 10-2:1390 0 AMB 10-1:1390 6.20 (# 1390:10 Double Ambig)
&rst
ixpk= 1390, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.82, r4=12.32,
igr1=1747,1748,1749,1306,1307,1308,1310,1311,
igr2=1700,1701,1700,1701,1700,1701,
&end
#
# 0 AMB 10-2:1403 113 GLY HN 6.00 (# 1403:10 Single Ambig)
&rst
ixpk= 1403, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1606,1607,1606,1607,
&end
#
# 0 AMB 10-2:1418 140 GLY HN 5.00 (# 1418:10 Single Ambig)
&rst
ixpk= 1418, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2022,2007,
&end
#
# 0 AMB 10-2:1421 140 GLY HN 5.80 (# 1421:10 Single Ambig)
&rst
ixpk= 1421, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr1=1996,1997,2111,2011,2012,
&end
#
# 0 AMB 10-2:1426 3 ASP HN 6.20 (# 1426:10 Single Ambig)
&rst
ixpk= 1426, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 428, 381,
&end
#
# 0 AMB 10-2:1435 50 TRP HN 4.50 (# 1435:10 Single Ambig)
&rst
ixpk= 1435, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 686, 679,
&end
#
# 0 AMB 10-2:1441 52 VAL HN 4.80 (# 1441:10 Single Ambig)
&rst
ixpk= 1441, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1259,1260,1241,1242,
&end
#
# 0 AMB 10-2:1448 57 HIS HN 3.00 (# 1448:10 Single Ambig)
&rst
ixpk= 1448, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 823, 824, 823, 824,
&end
#
# 0 AMB 10-2:1464 110 LYS HN 5.50 (# 1464:10 Single Ambig)
&rst
ixpk= 1464, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1615,1616,1615,1616,
&end
#
# 0 AMB 10-2:1465 112 SER HN 5.50 (# 1465:10 Single Ambig)
&rst
ixpk= 1465, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1651,1652,1111,
&end
#
# 120 THR HA 121 LEU HN 2.40 (# 0.0000 1:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat=1743,1755, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
rk2=80.0, rk3=80.0, ir6=1, ialtd=0,
&end
#
# 121 LEU QD2 121 LEU HN 5.00 (# 0.0000 2:10 2.31,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1768,1769,1770,
&end
#
# 88 ILE HG12 121 LEU HN 4.80 (# 0.9045 4:10 3.82,)
&rst
ixpk= 0, nxpk= 0, iat=1284,1755, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 34 GLU HN 6 LEU HN 3.80 (# 0.0000 7:10 3.36,)
&rst
ixpk= 0, nxpk= 0, iat= 474, 76, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 6 LEU HA 6 LEU HN 3.20 (# 0.0000 8:10 2.94,)
&rst
ixpk= 0, nxpk= 0, iat= 78, 76, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 5 THR HA 6 LEU HN 2.40 (# 0.9978 9:10 2.17,)
&rst
ixpk= 0, nxpk= 0, iat= 64, 76, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 6 LEU HB2 6 LEU HN 3.20 (# 0.9085 10:10 2.31,)
&rst
ixpk= 0, nxpk= 0, iat= 80, 76, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 49 ILE HA 50 TRP HN 2.40 (# 0.0000 16:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 688, 705, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 50 TRP HB2 50 TRP HN 3.30 (# 0.0000 18:10 2.38,)
&rst
ixpk= 0, nxpk= 0, iat= 709, 705, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 50 TRP HB3 50 TRP HN 4.00 (# 0.0000 19:10 2.38,)
&rst
ixpk= 0, nxpk= 0, iat= 710, 705, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 ILE HA 36 LEU HN 5.00 (# 0.0000 24:10 4.04,)
&rst
ixpk= 0, nxpk= 0, iat= 97, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 THR HN 36 LEU HN 5.00 (# 0.0000 26:10 4.29,)
&rst
ixpk= 0, nxpk= 0, iat= 489, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 THR HA 36 LEU HN 2.40 (# 0.9996 27:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 491, 503, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 36 LEU HA 36 LEU HN 3.20 (# 0.9970 28:10 2.87,)
&rst
ixpk= 0, nxpk= 0, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 6 LEU HB2 36 LEU HN 3.30 (# 0.9724 29:10 2.57,)
&rst
ixpk= 0, nxpk= 0, iat= 80, 503, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 36 LEU HB3 36 LEU HN 4.00 (# 0.0000 32:10 3.01,)
&rst
ixpk= 0, nxpk= 0, iat= 508, 503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 ASP HA 80 LEU HN 2.40 (# 0.0000 35:10 2.17,)
&rst
ixpk= 0, nxpk= 0, iat=1147,1157, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 80 LEU HA 80 LEU HN 3.20 (# 0.9132 36:10 2.89,)
&rst
ixpk= 0, nxpk= 0, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 80 LEU HG 80 LEU HN 4.30 (# 0.0000 39:10 3.98,)
&rst
ixpk= 0, nxpk= 0, iat=1164,1157, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 80 LEU HB3 80 LEU HN 5.00 (# 0.0000 40:10 2.22,)
&rst
ixpk= 0, nxpk= 0, iat=1162,1157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 ASP HB3 80 LEU HN 4.80 (# 0.9724 42:10 4.33,)
&rst
ixpk= 0, nxpk= 0, iat=1150,1157, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 85 PHE HN 84 ARG HN 4.90 (# 0.9784 44:10 4.53,)
&rst
ixpk= 0, nxpk= 0, iat=1237,1213, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 84 ARG HA 84 ARG HN 3.20 (# 0.0000 45:10 2.89,)
&rst
ixpk= 0, nxpk= 0, iat=1215,1213, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 49 ILE QD1 84 ARG HN 4.80 (# 0.9733 47:10 2.36,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 699, 700, 701,
&end
#
# 83 VAL QG1 84 ARG HN 4.00 (# 0.9994 48:10 1.92,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1203,1204,1205,
&end
#
# 83 VAL HA 84 ARG HN 2.40 (# 0.9934 49:10 2.17,)
&rst
ixpk= 0, nxpk= 0, iat=1199,1213, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 84 ARG HB2 84 ARG HN 3.80 (# 0.9527 50:10 2.22,)
&rst
ixpk= 0, nxpk= 0, iat=1217,1213, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 51 LEU HA 52 VAL HN 2.40 (# 0.0000 52:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 731, 748, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 52 VAL HB 52 VAL HN 3.40 (# 0.0000 53:10 3.09,)
&rst
ixpk= 0, nxpk= 0, iat= 752, 748, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 52 VAL QG2 52 VAL HN 4.00 (# 0.9970 55:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 758, 759, 760,
&end
#
# 87 ALA HA 52 VAL HN 4.10 (# 0.0000 56:10 3.77,)
&rst
ixpk= 0, nxpk= 0, iat=1266, 748, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 52 VAL HA 52 VAL HN 3.20 (# 0.0000 57:10 2.95,)
&rst
ixpk= 0, nxpk= 0, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 115 LYS HA 116 GLN HN 2.40 (# 0.9997 64:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat=1668,1688, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 53 ILE HA 53 ILE HN 3.20 (# 0.9659 73:10 2.94,)
&rst
ixpk= 0, nxpk= 0, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 52 VAL HA 53 ILE HN 2.40 (# 0.0000 75:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 750, 764, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 53 ILE HB 53 ILE HN 3.00 (# 0.9984 76:10 2.77,)
&rst
ixpk= 0, nxpk= 0, iat= 768, 764, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 SER HN 142 TRP HN 3.00 (# 0.0000 78:10 2.68,)
&rst
ixpk= 0, nxpk= 0, iat=2072,2083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 SER HB3 142 TRP HN 3.00 (# 0.9555 79:10 2.23,)
&rst
ixpk= 0, nxpk= 0, iat=2077,2083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 142 TRP HA 142 TRP HN 3.00 (# 0.0000 80:10 2.74,)
&rst
ixpk= 0, nxpk= 0, iat=2085,2083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 142 TRP HB2 142 TRP HN 2.80 (# 0.0000 81:10 2.24,)
&rst
ixpk= 0, nxpk= 0, iat=2087,2083, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 142 TRP HB3 142 TRP HN 2.80 (# 0.9982 82:10 2.24,)
&rst
ixpk= 0, nxpk= 0, iat=2088,2083, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 141 SER HA 142 TRP HN 4.00 (# 0.0000 83:10 3.56,)
&rst
ixpk= 0, nxpk= 0, iat=2074,2083, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 58 GLY HA3 59 ALA HN 3.80 (# 0.0000 85:10 2.62,)
&rst
ixpk= 0, nxpk= 0, iat= 839, 843, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 86 GLY HA2 117 THR HN 4.30 (# 0.0000 89:10 3.07,)
&rst
ixpk= 0, nxpk= 0, iat=1259,1705, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 117 THR HA 117 THR HN 3.00 (# 0.9968 90:10 2.89,)
&rst
ixpk= 0, nxpk= 0, iat=1707,1705, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 THR HB 117 THR HN 2.80 (# 0.0000 91:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat=1709,1705, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 123 ILE HN 122 LYS HN 4.80 (# 0.0000 98:10 4.05,)
&rst
ixpk= 0, nxpk= 0, iat=1796,1774, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 122 LYS HA 122 LYS HN 3.00 (# 0.9977 99:10 2.79,)
&rst
ixpk= 0, nxpk= 0, iat=1776,1774, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 121 LEU HA 122 LYS HN 2.60 (# 0.0000 100:10 2.24,)
&rst
ixpk= 0, nxpk= 0, iat=1757,1774, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 122 LYS HB2 122 LYS HN 3.30 (# 0.9995 101:10 2.07,)
&rst
ixpk= 0, nxpk= 0, iat=1778,1774, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 5 THR HN 51 LEU HN 4.00 (# 0.9713 117:10 3.56,)
&rst
ixpk= 0, nxpk= 0, iat= 62, 729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 50 TRP HA 51 LEU HN 2.40 (# 0.0000 118:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 707, 729, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 6 LEU HA 51 LEU HN 4.00 (# 0.9254 119:10 3.44,)
&rst
ixpk= 0, nxpk= 0, iat= 78, 729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 LEU HA 51 LEU HN 3.20 (# 0.0000 120:10 2.92,)
&rst
ixpk= 0, nxpk= 0, iat= 731, 729, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 50 TRP HB3 51 LEU HN 4.20 (# 0.0000 121:10 3.55,)
&rst
ixpk= 0, nxpk= 0, iat= 710, 729, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 51 LEU HB2 51 LEU HN 3.20 (# 0.9973 122:10 2.23,)
&rst
ixpk= 0, nxpk= 0, iat= 733, 729, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 51 LEU HB3 51 LEU HN 4.00 (# 0.9981 125:10 2.23,)
&rst
ixpk= 0, nxpk= 0, iat= 734, 729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 ILE QD1 51 LEU HN 5.00 (# 0.9914 126:10 2.95,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 108, 109, 110,
&end
#
# 46 ALA HA 46 ALA HN 3.00 (# 0.0000 132:10 2.88,)
&rst
ixpk= 0, nxpk= 0, iat= 660, 658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 PRO HB2 46 ALA HN 3.00 (# 0.0000 133:10 2.03,)
&rst
ixpk= 0, nxpk= 0, iat= 651, 658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 PRO HB3 46 ALA HN 3.00 (# 0.9981 134:10 2.03,)
&rst
ixpk= 0, nxpk= 0, iat= 652, 658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 123 ILE HA 124 ASN HN 2.40 (# 0.0000 138:10 2.18,)
&rst
ixpk= 0, nxpk= 0, iat=1798,1815, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 119 GLU HN 120 THR HN 5.00 (# 0.0000 140:10 4.42,)
&rst
ixpk= 0, nxpk= 0, iat=1726,1741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 GLU HA 120 THR HN 2.60 (# 0.0000 143:10 2.25,)
&rst
ixpk= 0, nxpk= 0, iat=1728,1741, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 119 GLU HB2 120 THR HN 3.30 (# 0.0000 146:10 2.27,)
&rst
ixpk= 0, nxpk= 0, iat=1730,1741, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 119 GLU HB3 120 THR HN 4.00 (# 0.0000 147:10 2.27,)
&rst
ixpk= 0, nxpk= 0, iat=1731,1741, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 THR QG2 120 THR HN 4.00 (# 0.9980 148:10 1.95,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1747,1748,1749,
&end
#
# 47 SER HN 50 TRP HE1 3.50 (# 0.0000 149:10 2.76,)
&rst
ixpk= 0, nxpk= 0, iat= 668, 715, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 LEU HB3 50 TRP HE1 4.00 (# 0.9928 155:10 3.36,)
&rst
ixpk= 0, nxpk= 0, iat= 630, 715, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 SER HN 7 ILE HN 4.50 (# 0.0000 158:10 4.11,)
&rst
ixpk= 0, nxpk= 0, iat= 114, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HA 7 ILE HN 2.40 (# 0.9977 159:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 78, 95, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 52 VAL HA 7 ILE HN 3.00 (# 0.9994 160:10 2.57,)
&rst
ixpk= 0, nxpk= 0, iat= 750, 95, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 ILE HA 7 ILE HN 3.20 (# 0.0000 161:10 2.93,)
&rst
ixpk= 0, nxpk= 0, iat= 97, 95, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 51 LEU HB2 7 ILE HN 4.50 (# 0.0000 162:10 3.41,)
&rst
ixpk= 0, nxpk= 0, iat= 733, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ILE HG12 7 ILE HN 3.80 (# 0.9882 165:10 2.11,)
&rst
ixpk= 0, nxpk= 0, iat= 105, 95, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 6 LEU QD1 7 ILE HN 4.80 (# 0.9931 166:10 2.70,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 85, 86, 87,
&end
#
# 7 ILE QD1 7 ILE HN 4.00 (# 0.0000 167:10 2.29,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 108, 109, 110,
&end
#
# 86 GLY HA2 87 ALA HN 2.80 (# 0.9991 168:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat=1259,1264, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 120 THR HA 87 ALA HN 4.80 (# 0.9552 169:10 3.86,)
&rst
ixpk= 0, nxpk= 0, iat=1743,1264, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 86 GLY HA3 87 ALA HN 3.80 (# 0.0000 170:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat=1260,1264, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 116 GLN HE22 87 ALA HN 4.00 (# 0.0000 173:10 2.74,)
&rst
ixpk= 0, nxpk= 0, iat=1701,1264, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 122 LYS HA 123 ILE HN 2.40 (# 0.9992 175:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat=1776,1796, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 122 LYS HB2 123 ILE HN 4.00 (# 0.9988 177:10 2.59,)
&rst
ixpk= 0, nxpk= 0, iat=1778,1796, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 ILE HG12 123 ILE HN 3.80 (# 0.9997 178:10 1.93,)
&rst
ixpk= 0, nxpk= 0, iat=1806,1796, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 123 ILE QD1 123 ILE HN 3.30 (# 0.9959 179:10 1.89,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1809,1810,1811,
&end
#
# 83 VAL HN 82 ALA HN 2.20 (# 0.9983 180:10 1.81,)
&rst
ixpk= 0, nxpk= 0, iat=1197,1187, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 80 LEU HB2 82 ALA HN 5.00 (# 0.0000 187:10 3.00,)
&rst
ixpk= 0, nxpk= 0, iat=1161,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 146 LEU HA 147 LYS HN 3.80 (# 0.0000 189:10 3.45,)
&rst
ixpk= 0, nxpk= 0, iat=2158,2175, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 147 LYS HB3 147 LYS HN 4.00 (# 0.0000 190:10 2.07,)
&rst
ixpk= 0, nxpk= 0, iat=2180,2175, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 147 LYS HG2 147 LYS HN 4.50 (# 0.0000 193:10 2.85,)
&rst
ixpk= 0, nxpk= 0, iat=2182,2175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LEU HB2 147 LYS HN 4.00 (# 0.0000 194:10 2.73,)
&rst
ixpk= 0, nxpk= 0, iat=2160,2175, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 LEU HG 147 LYS HN 3.20 (# 0.0000 195:10 2.36,)
&rst
ixpk= 0, nxpk= 0, iat=2163,2175, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 97 THR HA 98 PHE HN 3.00 (# 0.9979 198:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat=1411,1423, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 THR HA 35 THR HN 3.20 (# 0.9960 202:10 2.84,)
&rst
ixpk= 0, nxpk= 0, iat= 491, 489, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 34 GLU HA 35 THR HN 2.40 (# 0.9994 203:10 2.15,)
&rst
ixpk= 0, nxpk= 0, iat= 476, 489, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 40 LEU HA 41 LEU HN 3.30 (# 0.9910 209:10 2.70,)
&rst
ixpk= 0, nxpk= 0, iat= 562, 579, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 27 GLU HN 26 LEU HN 3.00 (# 0.0000 215:10 2.70,)
&rst
ixpk= 0, nxpk= 0, iat= 379, 360, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 LYS HN 26 LEU HN 3.00 (# 0.0000 216:10 2.73,)
&rst
ixpk= 0, nxpk= 0, iat= 338, 360, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 GLU HN 26 LEU HN 4.50 (# 0.0000 217:10 4.08,)
&rst
ixpk= 0, nxpk= 0, iat= 323, 360, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 LEU HA 26 LEU HN 3.00 (# 0.0000 218:10 2.75,)
&rst
ixpk= 0, nxpk= 0, iat= 362, 360, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LEU HA 37 HIS HN 2.60 (# 0.0000 228:10 2.25,)
&rst
ixpk= 0, nxpk= 0, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 36 LEU HB3 37 HIS HN 3.20 (# 0.9924 232:10 2.62,)
&rst
ixpk= 0, nxpk= 0, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 37 HIS HA 37 HIS HN 3.20 (# 0.0000 233:10 2.83,)
&rst
ixpk= 0, nxpk= 0, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 82 ALA HN 83 VAL HN 2.40 (# 0.9998 236:10 1.81,)
&rst
ixpk= 0, nxpk= 0, iat=1187,1197, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 80 LEU HN 114 ALA HN 4.50 (# 0.9024 245:10 3.59,)
&rst
ixpk= 0, nxpk= 0, iat=1157,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 GLY HN 114 ALA HN 2.40 (# 0.0000 247:10 2.01,)
&rst
ixpk= 0, nxpk= 0, iat=1649,1656, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 80 LEU HB3 114 ALA HN 3.00 (# 0.9997 253:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat=1162,1656, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 LEU QD2 114 ALA HN 5.00 (# 0.0000 255:10 2.47,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1170,1171,1172,
&end
#
# 80 LEU QD1 114 ALA HN 5.00 (# 0.9970 256:10 2.47,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1166,1167,1168,
&end
#
# 27 GLU HA 28 GLU HN 4.00 (# 0.9923 261:10 3.49,)
&rst
ixpk= 0, nxpk= 0, iat= 381, 394, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 GLU HB3 28 GLU HN 3.80 (# 0.9858 264:10 2.21,)
&rst
ixpk= 0, nxpk= 0, iat= 399, 394, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 27 GLU HN 28 GLU HN 3.00 (# 0.0000 266:10 2.65,)
&rst
ixpk= 0, nxpk= 0, iat= 379, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 LEU HN 23 ALA HN 3.20 (# 0.9982 267:10 2.89,)
&rst
ixpk= 0, nxpk= 0, iat= 294, 313, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 24 GLU HN 23 ALA HN 3.20 (# 0.0000 268:10 2.77,)
&rst
ixpk= 0, nxpk= 0, iat= 323, 313, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 22 LEU HB3 23 ALA HN 3.00 (# 0.9933 271:10 2.38,)
&rst
ixpk= 0, nxpk= 0, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 33 THR HN 3 ASP HN 4.50 (# 0.0000 273:10 4.03,)
&rst
ixpk= 0, nxpk= 0, iat= 460, 31, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 ILE HN 3 ASP HN 2.20 (# 0.0000 276:10 1.86,)
&rst
ixpk= 0, nxpk= 0, iat= 43, 31, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 3 ASP HB2 3 ASP HN 3.00 (# 0.0000 279:10 2.35,)
&rst
ixpk= 0, nxpk= 0, iat= 35, 31, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 ASP HB3 3 ASP HN 3.00 (# 0.0000 280:10 2.35,)
&rst
ixpk= 0, nxpk= 0, iat= 36, 31, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 TYR HN 69 PHE HN 3.00 (# 0.0000 282:10 2.49,)
&rst
ixpk= 0, nxpk= 0, iat= 995, 975, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 LEU HA 69 PHE HN 4.80 (# 0.0000 284:10 3.98,)
&rst
ixpk= 0, nxpk= 0, iat= 933, 975, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 69 PHE HA 69 PHE HN 3.00 (# 0.9877 285:10 2.77,)
&rst
ixpk= 0, nxpk= 0, iat= 977, 975, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 69 PHE HB3 69 PHE HN 4.00 (# 0.9837 287:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 980, 975, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 PRO HB3 69 PHE HN 4.00 (# 0.9308 288:10 2.93,)
&rst
ixpk= 0, nxpk= 0, iat= 969, 975, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 137 GLU HB2 138 TRP HN 3.00 (# 0.0000 292:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat=2011,2022, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 121 LEU HG 138 TRP HN 5.50 (# 0.0000 293:10 4.69,)
&rst
ixpk= 0, nxpk= 0, iat=1762,2022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 LEU HN 138 TRP HN 3.20 (# 0.0000 295:10 2.84,)
&rst
ixpk= 0, nxpk= 0, iat=2046,2022, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 110 LYS HN 109 LEU HN 3.00 (# 0.0000 298:10 2.59,)
&rst
ixpk= 0, nxpk= 0, iat=1602,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 GLU HN 109 LEU HN 3.00 (# 0.9971 299:10 2.55,)
&rst
ixpk= 0, nxpk= 0, iat=1568,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 LEU HB3 109 LEU HN 3.80 (# 0.0000 304:10 2.34,)
&rst
ixpk= 0, nxpk= 0, iat=1588,1583, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 71 GLU HG2 72 ALA HN 5.00 (# 0.0000 310:10 4.28,)
&rst
ixpk= 0, nxpk= 0, iat=1023,1031, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 LYS HN 111 ASN HN 2.60 (# 0.9995 314:10 2.21,)
&rst
ixpk= 0, nxpk= 0, iat=1602,1624, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 112 SER HN 111 ASN HN 2.60 (# 0.9936 315:10 2.35,)
&rst
ixpk= 0, nxpk= 0, iat=1638,1624, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 27 GLU HA 27 GLU HN 3.00 (# 0.9980 323:10 2.79,)
&rst
ixpk= 0, nxpk= 0, iat= 381, 379, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 138 TRP HA 139 LEU HN 3.80 (# 0.9906 332:10 3.54,)
&rst
ixpk= 0, nxpk= 0, iat=2024,2046, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 139 LEU HB3 139 LEU HN 3.80 (# 0.9648 334:10 2.04,)
&rst
ixpk= 0, nxpk= 0, iat=2051,2046, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 140 GLY HN 139 LEU HN 3.00 (# 0.0000 335:10 2.81,)
&rst
ixpk= 0, nxpk= 0, iat=2065,2046, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 138 TRP HB2 139 LEU HN 3.20 (# 0.0000 336:10 2.63,)
&rst
ixpk= 0, nxpk= 0, iat=2026,2046, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 128 HIS HA 129 ASP HN 2.60 (# 0.0000 340:10 2.15,)
&rst
ixpk= 0, nxpk= 0, iat=1881,1896, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 137 GLU HB2 137 GLU HN 2.80 (# 0.0000 342:10 2.07,)
&rst
ixpk= 0, nxpk= 0, iat=2011,2007, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 TRP HD1 49 ILE HN 4.50 (# 0.0000 346:10 3.22,)
&rst
ixpk= 0, nxpk= 0, iat= 713, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 ILE HA 49 ILE HN 3.00 (# 0.0000 347:10 2.93,)
&rst
ixpk= 0, nxpk= 0, iat= 688, 686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 ILE HA 49 ILE HN 4.00 (# 0.9937 348:10 2.96,)
&rst
ixpk= 0, nxpk= 0, iat= 45, 686, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 GLY HA2 49 ILE HN 3.00 (# 0.9998 349:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 681, 686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 ILE HB 49 ILE HN 3.30 (# 0.9912 351:10 2.87,)
&rst
ixpk= 0, nxpk= 0, iat= 690, 686, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 18 VAL HN 19 ALA HN 2.40 (# 0.9908 356:10 2.18,)
&rst
ixpk= 0, nxpk= 0, iat= 236, 252, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 33 THR HN 34 GLU HN 4.80 (# 0.0000 359:10 4.40,)
&rst
ixpk= 0, nxpk= 0, iat= 460, 474, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 33 THR HA 34 GLU HN 2.60 (# 0.0000 360:10 2.25,)
&rst
ixpk= 0, nxpk= 0, iat= 462, 474, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 5 THR HA 34 GLU HN 3.00 (# 0.9755 361:10 2.72,)
&rst
ixpk= 0, nxpk= 0, iat= 64, 474, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 GLU HB3 34 GLU HN 3.00 (# 0.9291 363:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat= 479, 474, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 93 ARG HA 94 GLU HN 3.50 (# 0.9936 365:10 2.17,)
&rst
ixpk= 0, nxpk= 0, iat=1339,1361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 LEU HN 104 LYS HN 3.00 (# 0.0000 369:10 2.75,)
&rst
ixpk= 0, nxpk= 0, iat=1524,1502, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 104 LYS HG3 104 LYS HN 3.00 (# 0.0000 375:10 1.93,)
&rst
ixpk= 0, nxpk= 0, iat=1510,1502, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 LEU HA 44 LEU HN 3.20 (# 0.9975 379:10 2.92,)
&rst
ixpk= 0, nxpk= 0, iat= 627, 625, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 42 GLU HA 44 LEU HN 3.50 (# 0.0000 380:10 3.26,)
&rst
ixpk= 0, nxpk= 0, iat= 600, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 THR HB 44 LEU HN 2.50 (# 0.9996 381:10 2.07,)
&rst
ixpk= 0, nxpk= 0, iat= 66, 625, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 84 ARG HA 115 LYS HN 2.80 (# 0.0000 388:10 2.41,)
&rst
ixpk= 0, nxpk= 0, iat=1215,1666, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 115 LYS HG2 115 LYS HN 3.00 (# 0.9974 391:10 2.01,)
&rst
ixpk= 0, nxpk= 0, iat=1673,1666, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 114 ALA HN 115 LYS HN 5.00 (# 0.9612 393:10 4.52,)
&rst
ixpk= 0, nxpk= 0, iat=1656,1666, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 GLY HN 31 PHE HN 2.20 (# 0.0000 394:10 1.89,)
&rst
ixpk= 0, nxpk= 0, iat= 419, 426, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 29 ALA HN 31 PHE HN 4.00 (# 0.0000 395:10 3.73,)
&rst
ixpk= 0, nxpk= 0, iat= 409, 426, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 GLY HA2 31 PHE HN 3.50 (# 0.9573 398:10 3.10,)
&rst
ixpk= 0, nxpk= 0, iat= 421, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 GLU HN 105 LEU HN 3.50 (# 0.9267 402:10 3.12,)
&rst
ixpk= 0, nxpk= 0, iat=1543,1524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LYS HN 105 LEU HN 3.00 (# 0.0000 403:10 2.75,)
&rst
ixpk= 0, nxpk= 0, iat=1502,1524, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 LEU HB2 105 LEU HN 2.80 (# 0.9953 404:10 2.20,)
&rst
ixpk= 0, nxpk= 0, iat=1528,1524, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 ALA HN 105 LEU HN 4.20 (# 0.0000 406:10 3.93,)
&rst
ixpk= 0, nxpk= 0, iat=1558,1524, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 ALA HN 18 VAL HN 2.50 (# 0.9729 407:10 2.18,)
&rst
ixpk= 0, nxpk= 0, iat= 252, 236, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 17 TYR HN 18 VAL HN 3.00 (# 0.0000 408:10 2.48,)
&rst
ixpk= 0, nxpk= 0, iat= 215, 236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 TYR HA 18 VAL HN 4.00 (# 0.0000 409:10 3.48,)
&rst
ixpk= 0, nxpk= 0, iat= 217, 236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 VAL HA 18 VAL HN 3.20 (# 0.0000 410:10 2.90,)
&rst
ixpk= 0, nxpk= 0, iat= 238, 236, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 18 VAL HB 18 VAL HN 2.60 (# 0.9941 411:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat= 240, 236, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 54 SER HN 88 ILE HN 4.00 (# 0.0000 414:10 3.56,)
&rst
ixpk= 0, nxpk= 0, iat= 783,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 GLY HN 88 ILE HN 4.50 (# 0.0000 418:10 4.18,)
&rst
ixpk= 0, nxpk= 0, iat=1293,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 ALA HA 88 ILE HN 2.40 (# 0.0000 419:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat=1266,1274, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 53 ILE HA 88 ILE HN 3.50 (# 0.9821 420:10 2.76,)
&rst
ixpk= 0, nxpk= 0, iat= 766,1274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 ILE HA 88 ILE HN 3.20 (# 0.9967 421:10 2.95,)
&rst
ixpk= 0, nxpk= 0, iat=1276,1274, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 88 ILE QG2 88 ILE HN 5.00 (# 0.9504 424:10 4.22,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1280,1281,1282,
&end
#
# 27 GLU HN 29 ALA HN 4.50 (# 0.9928 427:10 3.78,)
&rst
ixpk= 0, nxpk= 0, iat= 379, 409, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HA 29 ALA HN 4.00 (# 0.9714 428:10 3.63,)
&rst
ixpk= 0, nxpk= 0, iat= 381, 409, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 ALA HA 29 ALA HN 3.00 (# 0.0000 429:10 2.79,)
&rst
ixpk= 0, nxpk= 0, iat= 411, 409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 71 GLU HN 70 TYR HN 3.20 (# 0.0000 433:10 2.79,)
&rst
ixpk= 0, nxpk= 0, iat=1016, 995, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 69 PHE HN 70 TYR HN 3.10 (# 0.0000 434:10 2.49,)
&rst
ixpk= 0, nxpk= 0, iat= 975, 995, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 69 PHE HA 70 TYR HN 4.00 (# 0.9872 437:10 3.56,)
&rst
ixpk= 0, nxpk= 0, iat= 977, 995, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 GLY HN 8 SER HN 3.00 (# 0.9892 440:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat= 539, 114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 HIS HA 8 SER HN 3.00 (# 0.0000 441:10 2.38,)
&rst
ixpk= 0, nxpk= 0, iat= 524, 114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 ILE HA 8 SER HN 2.40 (# 0.9987 442:10 2.15,)
&rst
ixpk= 0, nxpk= 0, iat= 97, 114, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 61 ASP HA 61 ASP HN 3.00 (# 0.0000 444:10 2.75,)
&rst
ixpk= 0, nxpk= 0, iat= 862, 860, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 61 ASP HB3 61 ASP HN 3.00 (# 0.9946 445:10 2.13,)
&rst
ixpk= 0, nxpk= 0, iat= 865, 860, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 SER HN 110 LYS HN 4.00 (# 0.9495 446:10 3.54,)
&rst
ixpk= 0, nxpk= 0, iat=1638,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 LYS HG2 110 LYS HN 3.50 (# 0.9907 449:10 2.33,)
&rst
ixpk= 0, nxpk= 0, iat=1609,1602, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LEU HB3 110 LYS HN 4.00 (# 0.0000 451:10 2.62,)
&rst
ixpk= 0, nxpk= 0, iat=1588,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 129 ASP HB2 130 ILE HN 2.80 (# 0.0000 454:10 1.90,)
&rst
ixpk= 0, nxpk= 0, iat=1900,1908, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 ILE HB 130 ILE HN 2.80 (# 0.0000 455:10 2.21,)
&rst
ixpk= 0, nxpk= 0, iat=1912,1908, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 GLU HA 17 TYR HN 3.80 (# 0.0000 460:10 3.30,)
&rst
ixpk= 0, nxpk= 0, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 40 LEU HN 43 ASP HN 5.00 (# 0.0000 461:10 4.66,)
&rst
ixpk= 0, nxpk= 0, iat= 560, 613, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLU HA 43 ASP HN 2.80 (# 0.0000 462:10 2.17,)
&rst
ixpk= 0, nxpk= 0, iat= 600, 613, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 LEU HB3 43 ASP HN 5.50 (# 0.9756 463:10 4.10,)
&rst
ixpk= 0, nxpk= 0, iat= 565, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HA 43 ASP HN 3.00 (# 0.9919 465:10 2.75,)
&rst
ixpk= 0, nxpk= 0, iat= 615, 613, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 LEU HG 43 ASP HN 5.00 (# 0.9209 470:10 4.45,)
&rst
ixpk= 0, nxpk= 0, iat= 632, 613, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 LEU HB3 43 ASP HN 7.00 (# 0.0000 471:10 4.71,)
&rst
ixpk= 0, nxpk= 0, iat= 630, 613, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 106 GLU HN 107 ALA HN 3.00 (# 0.0000 473:10 2.72,)
&rst
ixpk= 0, nxpk= 0, iat=1543,1558, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 LEU HN 107 ALA HN 4.20 (# 0.0000 474:10 3.86,)
&rst
ixpk= 0, nxpk= 0, iat=1583,1558, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 106 GLU HG2 107 ALA HN 5.00 (# 0.0000 476:10 4.57,)
&rst
ixpk= 0, nxpk= 0, iat=1550,1558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 GLU HN 106 GLU HN 5.00 (# 0.0000 484:10 4.58,)
&rst
ixpk= 0, nxpk= 0, iat=1568,1543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 ALA HN 106 GLU HN 3.00 (# 0.0000 485:10 2.72,)
&rst
ixpk= 0, nxpk= 0, iat=1558,1543, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 103 ASP HA 106 GLU HN 4.00 (# 0.9574 486:10 3.62,)
&rst
ixpk= 0, nxpk= 0, iat=1492,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 GLU HA 106 GLU HN 3.00 (# 0.9965 489:10 2.76,)
&rst
ixpk= 0, nxpk= 0, iat=1545,1543, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 LEU HB2 106 GLU HN 3.80 (# 0.9978 491:10 1.91,)
&rst
ixpk= 0, nxpk= 0, iat=1528,1543, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 105 LEU HB3 106 GLU HN 3.00 (# 0.0000 492:10 1.91,)
&rst
ixpk= 0, nxpk= 0, iat=1529,1543, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 110 LYS HD3 107 ALA HN 5.00 (# 0.9512 494:10 4.15,)
&rst
ixpk= 0, nxpk= 0, iat=1613,1558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 HIS HA 21 HIS HN 3.00 (# 0.0000 499:10 2.80,)
&rst
ixpk= 0, nxpk= 0, iat= 279, 277, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 GLU HA 21 HIS HN 4.00 (# 0.9842 500:10 3.54,)
&rst
ixpk= 0, nxpk= 0, iat= 264, 277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 VAL HA 21 HIS HN 4.20 (# 0.0000 501:10 3.60,)
&rst
ixpk= 0, nxpk= 0, iat= 238, 277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 18 VAL QG1 21 HIS HN 6.50 (# 0.0000 505:10 5.08,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 242, 243, 244,
&end
#
# 144 ASN HA 146 LEU HN 5.00 (# 0.0000 507:10 4.00,)
&rst
ixpk= 0, nxpk= 0, iat=2125,2156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 145 LEU HA 146 LEU HN 4.00 (# 0.0000 509:10 3.47,)
&rst
ixpk= 0, nxpk= 0, iat=2139,2156, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 LEU HA 146 LEU HN 3.00 (# 0.9922 510:10 2.82,)
&rst
ixpk= 0, nxpk= 0, iat=2158,2156, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 143 VAL HA 146 LEU HN 4.00 (# 0.0000 511:10 3.47,)
&rst
ixpk= 0, nxpk= 0, iat=2109,2156, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 LEU HB3 146 LEU HN 3.20 (# 0.9880 512:10 2.10,)
&rst
ixpk= 0, nxpk= 0, iat=2161,2156, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 146 LEU HB2 146 LEU HN 3.80 (# 0.0000 513:10 2.10,)
&rst
ixpk= 0, nxpk= 0, iat=2160,2156, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 146 LEU HG 146 LEU HN 3.00 (# 0.0000 514:10 1.95,)
&rst
ixpk= 0, nxpk= 0, iat=2163,2156, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 71 GLU HN 73 LEU HN 4.50 (# 0.0000 516:10 3.89,)
&rst
ixpk= 0, nxpk= 0, iat=1016,1041, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 LEU HA 73 LEU HN 3.00 (# 0.0000 519:10 2.74,)
&rst
ixpk= 0, nxpk= 0, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 LEU HB3 73 LEU HN 4.00 (# 0.0000 522:10 2.22,)
&rst
ixpk= 0, nxpk= 0, iat=1046,1041, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 ALA HN 22 LEU HN 3.20 (# 0.0000 526:10 2.89,)
&rst
ixpk= 0, nxpk= 0, iat= 313, 294, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 21 HIS HN 22 LEU HN 3.20 (# 0.0000 527:10 2.85,)
&rst
ixpk= 0, nxpk= 0, iat= 277, 294, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 22 LEU HB3 22 LEU HN 4.00 (# 0.9955 529:10 2.19,)
&rst
ixpk= 0, nxpk= 0, iat= 299, 294, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 LEU HB2 22 LEU HN 3.20 (# 0.9979 530:10 2.19,)
&rst
ixpk= 0, nxpk= 0, iat= 298, 294, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 21 HIS HA 22 LEU HN 3.80 (# 0.0000 532:10 3.57,)
&rst
ixpk= 0, nxpk= 0, iat= 279, 294, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 22 LEU HA 22 LEU HN 3.00 (# 0.9793 533:10 2.75,)
&rst
ixpk= 0, nxpk= 0, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 HIS HB2 22 LEU HN 4.00 (# 0.0000 534:10 2.16,)
&rst
ixpk= 0, nxpk= 0, iat= 281, 294, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 144 ASN HN 145 LEU HN 3.00 (# 0.0000 538:10 2.54,)
&rst
ixpk= 0, nxpk= 0, iat=2123,2137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 144 ASN HA 145 LEU HN 4.00 (# 0.0000 539:10 3.40,)
&rst
ixpk= 0, nxpk= 0, iat=2125,2137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 145 LEU HA 145 LEU HN 3.00 (# 0.9980 540:10 2.80,)
&rst
ixpk= 0, nxpk= 0, iat=2139,2137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 146 LEU QD1 145 LEU HN 6.50 (# 0.0000 544:10 3.80,)
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=2165,2166,2167,
&end
#
# 94 GLU HN 95 TYR HN 4.00 (# 0.9681 545:10 1.89,)
&rst
ixpk= 0, nxpk= 0, iat=1361,1376, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 TYR HA 95 TYR HN 3.00 (# 0.0000 547:10 2.27,)
&rst
ixpk= 0, nxpk= 0, iat=1378,1376, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 TYR HB3 95 TYR HN 3.50 (# 0.0000 548:10 2.25,)
&rst
ixpk= 0, nxpk= 0, iat=1381,1376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 GLU HB2 95 TYR HN 3.00 (# 0.0000 550:10 1.91,)
&rst
ixpk= 0, nxpk= 0, iat=1365,1376, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 LEU HN 40 LEU HN 3.00 (# 0.9996 551:10 2.06,)
&rst
ixpk= 0, nxpk= 0, iat= 579, 560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 LEU HA 40 LEU HN 3.20 (# 0.9379 552:10 2.94,)
&rst
ixpk= 0, nxpk= 0, iat= 562, 560, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 40 LEU HB3 40 LEU HN 3.50 (# 0.9930 555:10 2.47,)
&rst
ixpk= 0, nxpk= 0, iat= 565, 560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LEU HN 25 LYS HN 3.00 (# 0.0000 558:10 2.73,)
&rst
ixpk= 0, nxpk= 0, iat= 360, 338, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 GLU HN 25 LYS HN 3.20 (# 0.0000 559:10 2.81,)
&rst
ixpk= 0, nxpk= 0, iat= 323, 338, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 24 GLU HB3 25 LYS HN 3.20 (# 0.9880 561:10 1.95,)
&rst
ixpk= 0, nxpk= 0, iat= 328, 338, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 24 GLU HB2 25 LYS HN 3.80 (# 0.9953 562:10 1.95,)
&rst
ixpk= 0, nxpk= 0, iat= 327, 338, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 25 LYS HG2 25 LYS HN 3.20 (# 0.0000 565:10 1.96,)
&rst
ixpk= 0, nxpk= 0, iat= 345, 338, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 25 LYS HG3 25 LYS HN 4.00 (# 0.0000 566:10 1.96,)
&rst
ixpk= 0, nxpk= 0, iat= 346, 338, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 LYS HD2 25 LYS HN 3.50 (# 0.9935 568:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 348, 338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HA 67 SER HN 2.80 (# 0.0000 569:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 933, 950, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 68 PRO HD2 67 SER HN 3.00 (# 0.9999 572:10 1.66,)
&rst
ixpk= 0, nxpk= 0, iat= 962, 950, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 68 PRO HD3 67 SER HN 3.00 (# 0.0000 573:10 1.66,)
&rst
ixpk= 0, nxpk= 0, iat= 963, 950, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 119 GLU HA 119 GLU HN 3.20 (# 0.0000 575:10 2.81,)
&rst
ixpk= 0, nxpk= 0, iat=1728,1726, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 118 GLY HA2 119 GLU HN 4.00 (# 0.0000 577:10 2.20,)
&rst
ixpk= 0, nxpk= 0, iat=1721,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 119 GLU HB2 119 GLU HN 4.20 (# 0.0000 579:10 2.75,)
&rst
ixpk= 0, nxpk= 0, iat=1730,1726, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 70 TYR HN 71 GLU HN 3.20 (# 0.9905 581:10 2.79,)
&rst
ixpk= 0, nxpk= 0, iat= 995,1016, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 70 TYR QD 71 GLU HN 4.20 (# 0.9991 583:10 2.42,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1003,1012,
&end
#
# 70 TYR HB2 71 GLU HN 4.00 (# 0.9906 586:10 2.12,)
&rst
ixpk= 0, nxpk= 0, iat= 999,1016, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 70 TYR HB3 71 GLU HN 3.50 (# 0.0000 587:10 2.12,)
&rst
ixpk= 0, nxpk= 0, iat=1000,1016, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU HG2 71 GLU HN 3.00 (# 0.0000 588:10 2.17,)
&rst
ixpk= 0, nxpk= 0, iat=1023,1016, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 THR HA 118 GLY HN 2.50 (# 0.9995 591:10 2.16,)
&rst
ixpk= 0, nxpk= 0, iat=1707,1719, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 108 GLU HA 108 GLU HN 3.00 (# 0.9948 596:10 2.82,)
&rst
ixpk= 0, nxpk= 0, iat=1570,1568, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 GLU HB3 108 GLU HN 3.80 (# 0.9931 598:10 2.16,)
&rst
ixpk= 0, nxpk= 0, iat=1573,1568, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 10 SER HB3 10 SER HN 3.50 (# 0.9829 602:10 2.27,)
&rst
ixpk= 0, nxpk= 0, iat= 137, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 ILE HA 54 SER HN 2.40 (# 0.0000 603:10 2.15,)
&rst
ixpk= 0, nxpk= 0, iat= 766, 783, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 54 SER HB2 54 SER HN 4.00 (# 0.9457 604:10 3.56,)
&rst
ixpk= 0, nxpk= 0, iat= 787, 783, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 PHE HA 85 PHE HN 3.20 (# 0.9918 607:10 2.94,)
&rst
ixpk= 0, nxpk= 0, iat=1239,1237, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 85 PHE HB3 85 PHE HN 3.50 (# 0.0000 608:10 2.43,)
&rst
ixpk= 0, nxpk= 0, iat=1242,1237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 LYS HN 85 PHE HN 3.50 (# 0.9422 610:10 2.83,)
&rst
ixpk= 0, nxpk= 0, iat=1666,1237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 ARG HA 85 PHE HN 2.60 (# 0.0000 612:10 2.29,)
&rst
ixpk= 0, nxpk= 0, iat=1215,1237, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 19 ALA QB 20 GLU HN 3.50 (# 0.9655 618:10 2.11,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 256, 257, 258,
&end
#
# 64 ASP HN 65 ASN HN 3.00 (# 0.0000 623:10 1.74,)
&rst
ixpk= 0, nxpk= 0, iat= 905, 917, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 65 ASN HB2 65 ASN HN 4.00 (# 0.0000 624:10 2.93,)
&rst
ixpk= 0, nxpk= 0, iat= 921, 917, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 78 PRO HB2 79 ASP HN 3.20 (# 0.0000 630:10 1.96,)
&rst
ixpk= 0, nxpk= 0, iat=1138,1145, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 78 PRO HB3 79 ASP HN 3.20 (# 0.9992 632:10 1.96,)
&rst
ixpk= 0, nxpk= 0, iat=1139,1145, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 46 ALA QB 79 ASP HN 4.50 (# 0.9704 633:10 3.40,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 662, 663, 664,
&end
#
# 142 TRP HB2 144 ASN HN 6.20 (# 0.0000 634:10 4.98,)
&rst
ixpk= 0, nxpk= 0, iat=2087,2123, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 143 VAL HN 144 ASN HN 3.00 (# 0.0000 636:10 2.57,)
&rst
ixpk= 0, nxpk= 0, iat=2107,2123, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 143 VAL HA 144 ASN HN 4.00 (# 0.0000 639:10 3.54,)
&rst
ixpk= 0, nxpk= 0, iat=2109,2123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 LYS HN 24 GLU HN 3.20 (# 0.0000 645:10 2.81,)
&rst
ixpk= 0, nxpk= 0, iat= 338, 323, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 5 THR HN 4 ILE HN 5.00 (# 0.0000 650:10 4.19,)
&rst
ixpk= 0, nxpk= 0, iat= 62, 43, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 ASP HN 4 ILE HN 2.20 (# 0.9998 651:10 1.86,)
&rst
ixpk= 0, nxpk= 0, iat= 31, 43, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 4 ILE HA 4 ILE HN 3.20 (# 0.9445 652:10 2.94,)
&rst
ixpk= 0, nxpk= 0, iat= 45, 43, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 3 ASP HA 4 ILE HN 3.50 (# 0.9911 653:10 3.36,)
&rst
ixpk= 0, nxpk= 0, iat= 33, 43, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ILE HB 4 ILE HN 3.00 (# 0.9859 655:10 2.60,)
&rst
ixpk= 0, nxpk= 0, iat= 47, 43, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 33 THR HA 4 ILE HN 2.80 (# 0.0000 659:10 2.18,)
&rst
ixpk= 0, nxpk= 0, iat= 462, 43, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 ASP HB2 4 ILE HN 4.00 (# 0.0000 660:10 3.27,)
&rst
ixpk= 0, nxpk= 0, iat= 35, 43, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 SER HA 91 GLY HN 4.00 (# 0.0000 664:10 3.24,)
&rst
ixpk= 0, nxpk= 0, iat= 796,1319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 ILE HA 91 GLY HN 2.40 (# 0.9987 665:10 2.15,)
&rst
ixpk= 0, nxpk= 0, iat=1302,1319, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 91 GLY HA2 91 GLY HN 3.00 (# 0.0000 666:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat=1321,1319, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 78 PRO HD2 76 GLN HN 5.00 (# 0.9613 670:10 4.15,)
&rst
ixpk= 0, nxpk= 0, iat=1132,1092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 PRO HD3 76 GLN HN 5.00 (# 0.0000 671:10 4.15,)
&rst
ixpk= 0, nxpk= 0, iat=1133,1092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 GLU HG2 76 GLN HN 4.50 (# 0.9957 673:10 2.74,)
&rst
ixpk= 0, nxpk= 0, iat=1084,1092, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 SER HA 56 THR HN 2.40 (# 0.0000 676:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 796, 805, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 73 LEU QD1 74 GLN HN 6.00 (# 0.0000 679:10 4.50,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1050,1051,1052,
&end
#
# 73 LEU HB3 74 GLN HN 3.00 (# 0.0000 687:10 2.26,)
&rst
ixpk= 0, nxpk= 0, iat=1046,1060, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 SER HA 141 SER HN 3.00 (# 0.9927 688:10 2.76,)
&rst
ixpk= 0, nxpk= 0, iat=2074,2072, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 110 LYS HN 112 SER HN 4.00 (# 0.9742 689:10 3.54,)
&rst
ixpk= 0, nxpk= 0, iat=1602,1638, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 109 LEU HA 112 SER HN 4.00 (# 0.9820 694:10 3.76,)
&rst
ixpk= 0, nxpk= 0, iat=1585,1638, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 42 GLU HA 42 GLU HN 3.00 (# 0.0000 701:10 2.74,)
&rst
ixpk= 0, nxpk= 0, iat= 600, 598, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 LEU HA 42 GLU HN 3.50 (# 0.9824 702:10 3.18,)
&rst
ixpk= 0, nxpk= 0, iat= 581, 598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HB2 42 GLU HN 4.20 (# 0.0000 704:10 3.69,)
&rst
ixpk= 0, nxpk= 0, iat= 602, 598, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 91 GLY HA3 92 SER HN 3.50 (# 0.9995 709:10 2.23,)
&rst
ixpk= 0, nxpk= 0, iat=1322,1326, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 GLY HA2 92 SER HN 3.50 (# 0.9359 710:10 2.23,)
&rst
ixpk= 0, nxpk= 0, iat=1321,1326, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 GLN HN 77 LYS HN 2.40 (# 0.0000 711:10 2.07,)
&rst
ixpk= 0, nxpk= 0, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 75 GLU HN 77 LYS HN 4.00 (# 0.0000 712:10 3.35,)
&rst
ixpk= 0, nxpk= 0, iat=1077,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 LEU HA 77 LYS HN 4.00 (# 0.0000 715:10 3.14,)
&rst
ixpk= 0, nxpk= 0, iat=1043,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 VAL HN 81 SER HN 4.20 (# 0.9835 720:10 3.79,)
&rst
ixpk= 0, nxpk= 0, iat=1197,1176, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 58 GLY HA3 58 GLY HN 3.00 (# 0.0000 728:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat= 839, 836, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 GLY HA2 38 GLY HN 3.00 (# 0.9986 731:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 GLY HA3 38 GLY HN 3.00 (# 0.9985 732:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat= 542, 539, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 SER HA 144 ASN HD21 3.50 (# 0.0000 735:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat=2074,2132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 LEU HN 89 GLY HN 4.00 (# 0.0000 740:10 3.28,)
&rst
ixpk= 0, nxpk= 0, iat=1755,1293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 GLY HA2 89 GLY HN 2.80 (# 0.0000 741:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat=1295,1293, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 ILE HA 89 GLY HN 2.40 (# 0.9985 742:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat=1276,1293, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 4 ILE HN 32 THR HN 5.00 (# 0.0000 745:10 4.47,)
&rst
ixpk= 0, nxpk= 0, iat= 43, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 ASP HN 32 THR HN 3.80 (# 0.0000 749:10 3.25,)
&rst
ixpk= 0, nxpk= 0, iat= 31, 446, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 33 THR HN 32 THR HN 5.00 (# 0.0000 750:10 4.53,)
&rst
ixpk= 0, nxpk= 0, iat= 460, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PHE HN 32 THR HN 5.00 (# 0.9514 751:10 4.44,)
&rst
ixpk= 0, nxpk= 0, iat= 426, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 THR HA 32 THR HN 3.00 (# 0.0000 754:10 2.93,)
&rst
ixpk= 0, nxpk= 0, iat= 448, 446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 PHE HB3 32 THR HN 3.00 (# 0.0000 758:10 2.15,)
&rst
ixpk= 0, nxpk= 0, iat= 431, 446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 GLU HA 111 ASN HD22 3.80 (# 0.0000 761:10 1.91,)
&rst
ixpk= 0, nxpk= 0, iat=1570,1634, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 142 TRP HE3 143 VAL HN 3.20 (# 0.9055 772:10 2.49,)
&rst
ixpk= 0, nxpk= 0, iat=2102,2107, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 144 ASN HN 143 VAL HN 3.20 (# 0.0000 773:10 2.57,)
&rst
ixpk= 0, nxpk= 0, iat=2123,2107, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 142 TRP HA 143 VAL HN 3.80 (# 0.0000 774:10 3.48,)
&rst
ixpk= 0, nxpk= 0, iat=2085,2107, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 143 VAL HA 143 VAL HN 3.00 (# 0.0000 775:10 2.74,)
&rst
ixpk= 0, nxpk= 0, iat=2109,2107, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 142 TRP HB2 143 VAL HN 4.30 (# 0.0000 776:10 2.37,)
&rst
ixpk= 0, nxpk= 0, iat=2087,2107, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 97 THR HA 97 THR HN 3.20 (# 0.9962 782:10 2.72,)
&rst
ixpk= 0, nxpk= 0, iat=1411,1409, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 97 THR QG2 97 THR HN 4.00 (# 0.0000 783:10 1.99,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1415,1416,1417,
&end
#
# 12 LEU HA 13 GLY HN 3.00 (# 0.9992 789:10 2.25,)
&rst
ixpk= 0, nxpk= 0, iat= 159, 176, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 32 THR HA 33 THR HN 2.60 (# 0.9992 791:10 2.22,)
&rst
ixpk= 0, nxpk= 0, iat= 448, 460, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 33 THR HA 33 THR HN 3.20 (# 0.9918 796:10 2.93,)
&rst
ixpk= 0, nxpk= 0, iat= 462, 460, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 50 TRP HE1 47 SER HN 3.50 (# 0.0000 797:10 2.76,)
&rst
ixpk= 0, nxpk= 0, iat= 715, 668, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 PRO HB3 47 SER HN 5.00 (# 0.9845 802:10 3.53,)
&rst
ixpk= 0, nxpk= 0, iat= 652, 668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 THR HA 116 GLN HE21 4.00 (# 0.9759 812:10 2.87,)
&rst
ixpk= 0, nxpk= 0, iat=1743,1700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 50 TRP HN 86 GLY HN 4.50 (# 0.0000 816:10 3.89,)
&rst
ixpk= 0, nxpk= 0, iat= 705,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 PHE HA 86 GLY HN 2.60 (# 0.9983 817:10 2.19,)
&rst
ixpk= 0, nxpk= 0, iat=1239,1257, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 112 SER HB2 113 GLY HN 4.50 (# 0.0000 828:10 3.71,)
&rst
ixpk= 0, nxpk= 0, iat=1642,1649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 SER HN 48 GLY HN 4.20 (# 0.0000 831:10 3.69,)
&rst
ixpk= 0, nxpk= 0, iat= 668, 679, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 83 VAL HB 48 GLY HN 2.50 (# 0.9945 835:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat=1201, 679, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 83 VAL QG1 48 GLY HN 4.20 (# 0.9975 838:10 2.42,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1203,1204,1205,
&end
#
# 99 CYS HA 100 GLY HN 3.00 (# 0.0000 843:10 2.18,)
&rst
ixpk= 0, nxpk= 0, iat=1445,1454, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 GLY HA3 100 GLY HN 3.00 (# 0.0000 844:10 2.29,)
&rst
ixpk= 0, nxpk= 0, iat=1457,1454, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 GLY HA2 100 GLY HN 3.00 (# 0.0000 845:10 2.29,)
&rst
ixpk= 0, nxpk= 0, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 GLY HA2 60 GLY HN 3.00 (# 0.9750 847:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat= 855, 853, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 GLY HA3 60 GLY HN 3.00 (# 0.0000 848:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat= 856, 853, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 139 LEU HN 140 GLY HN 3.10 (# 0.0000 856:10 2.81,)
&rst
ixpk= 0, nxpk= 0, iat=2046,2065, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 141 SER HN 140 GLY HN 3.20 (# 0.0000 857:10 2.87,)
&rst
ixpk= 0, nxpk= 0, iat=2072,2065, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 139 LEU HB2 140 GLY HN 3.20 (# 0.0000 860:10 2.11,)
&rst
ixpk= 0, nxpk= 0, iat=2050,2065, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 139 LEU HB3 140 GLY HN 3.20 (# 0.9878 861:10 2.11,)
&rst
ixpk= 0, nxpk= 0, iat=2051,2065, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 88 ILE HA 121 LEU HN 3.20 (# 0.9952 863:10 2.50,)
&rst
ixpk= 0, nxpk= 0, iat=1276,1755, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 120 THR HN 121 LEU HN 4.80 (# 0.9745 864:10 4.30,)
&rst
ixpk= 0, nxpk= 0, iat=1741,1755, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 89 GLY HN 121 LEU HN 4.00 (# 0.0000 865:10 3.28,)
&rst
ixpk= 0, nxpk= 0, iat=1293,1755, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 121 LEU HB3 121 LEU HN 3.00 (# 0.9660 866:10 2.08,)
&rst
ixpk= 0, nxpk= 0, iat=1760,1755, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 ILE HN 6 LEU HN 4.80 (# 0.9212 868:10 4.16,)
&rst
ixpk= 0, nxpk= 0, iat= 95, 76, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 84 ARG HN 50 TRP HN 4.50 (# 0.9573 873:10 3.90,)
&rst
ixpk= 0, nxpk= 0, iat=1213, 705, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HA 50 TRP HN 3.20 (# 0.0000 874:10 2.94,)
&rst
ixpk= 0, nxpk= 0, iat= 707, 705, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 8 SER HN 36 LEU HN 4.50 (# 0.0000 876:10 3.85,)
&rst
ixpk= 0, nxpk= 0, iat= 114, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 GLY HA2 80 LEU HN 4.80 (# 0.9890 881:10 2.11,)
&rst
ixpk= 0, nxpk= 0, iat=1651,1157, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 79 ASP HB2 80 LEU HN 5.00 (# 0.0000 882:10 4.33,)
&rst
ixpk= 0, nxpk= 0, iat=1149,1157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 ILE HA 84 ARG HN 3.20 (# 0.0000 885:10 2.60,)
&rst
ixpk= 0, nxpk= 0, iat= 688,1213, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 51 LEU HB3 52 VAL HN 4.50 (# 0.9885 887:10 3.30,)
&rst
ixpk= 0, nxpk= 0, iat= 734, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 ILE HN 52 VAL HN 4.80 (# 0.9725 888:10 4.27,)
&rst
ixpk= 0, nxpk= 0, iat= 764, 748, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 110 LYS HB3 116 GLN HN 5.00 (# 0.0000 890:10 3.58,)
&rst
ixpk= 0, nxpk= 0, iat=1607,1688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 LEU HA 138 TRP HE1 3.50 (# 0.9689 898:10 2.98,)
&rst
ixpk= 0, nxpk= 0, iat=1757,2032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 GLU HB3 138 TRP HE1 4.50 (# 0.0000 899:10 2.61,)
&rst
ixpk= 0, nxpk= 0, iat=1731,2032, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 GLU HG2 138 TRP HE1 2.80 (# 0.0000 900:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat=1733,2032, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 8 SER HA 53 ILE HN 4.00 (# 0.0000 901:10 3.28,)
&rst
ixpk= 0, nxpk= 0, iat= 116, 764, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 ALA HA 59 ALA HN 3.20 (# 0.9283 909:10 2.28,)
&rst
ixpk= 0, nxpk= 0, iat= 845, 843, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 60 GLY HN 59 ALA HN 2.80 (# 0.9939 910:10 1.88,)
&rst
ixpk= 0, nxpk= 0, iat= 853, 843, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 GLY HN 122 LYS HN 4.50 (# 0.0000 915:10 3.74,)
&rst
ixpk= 0, nxpk= 0, iat=1293,1774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR QG2 5 THR HN 3.20 (# 0.9862 922:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 68, 69, 70,
&end
#
# 49 ILE HB 5 THR HN 5.00 (# 0.9734 924:10 4.15,)
&rst
ixpk= 0, nxpk= 0, iat= 690, 62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 ILE HN 5 THR HN 5.00 (# 0.9806 926:10 4.19,)
&rst
ixpk= 0, nxpk= 0, iat= 43, 62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 LEU HN 5 THR HN 4.00 (# 0.0000 927:10 3.56,)
&rst
ixpk= 0, nxpk= 0, iat= 729, 62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 LEU QD1 51 LEU HN 5.00 (# 0.9931 930:10 2.93,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 738, 739, 740,
&end
#
# 50 TRP HB2 51 LEU HN 4.50 (# 0.0000 933:10 3.55,)
&rst
ixpk= 0, nxpk= 0, iat= 709, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HN 51 LEU HN 5.00 (# 0.0000 936:10 4.17,)
&rst
ixpk= 0, nxpk= 0, iat= 748, 729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 THR HA 120 THR HN 3.00 (# 0.9985 942:10 2.69,)
&rst
ixpk= 0, nxpk= 0, iat=1743,1741, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 ALA HA 50 TRP HE1 3.50 (# 0.0000 948:10 2.93,)
&rst
ixpk= 0, nxpk= 0, iat= 660, 715, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 PRO HD3 50 TRP HE1 6.00 (# 0.0000 949:10 4.70,)
&rst
ixpk= 0, nxpk= 0, iat= 646, 715, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 PRO HG3 50 TRP HE1 6.50 (# 0.0000 950:10 4.85,)
&rst
ixpk= 0, nxpk= 0, iat= 649, 715, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 7 ILE HG12 7 ILE HN 4.00 (# 0.9971 957:10 2.11,)
&rst
ixpk= 0, nxpk= 0, iat= 105, 95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 ILE QD1 7 ILE HN 4.00 (# 0.9692 958:10 2.40,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 777, 778, 779,
&end
#
# 6 LEU HB2 7 ILE HN 4.50 (# 0.9879 960:10 3.31,)
&rst
ixpk= 0, nxpk= 0, iat= 80, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HN 7 ILE HN 4.80 (# 0.0000 962:10 4.16,)
&rst
ixpk= 0, nxpk= 0, iat= 76, 95, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 87 ALA HA 87 ALA HN 3.20 (# 0.0000 965:10 2.90,)
&rst
ixpk= 0, nxpk= 0, iat=1266,1264, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 116 GLN HE21 87 ALA HN 4.00 (# 0.9913 966:10 2.74,)
&rst
ixpk= 0, nxpk= 0, iat=1700,1264, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 ILE HN 87 ALA HN 5.00 (# 0.9099 968:10 4.39,)
&rst
ixpk= 0, nxpk= 0, iat=1274,1264, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 ILE HG12 123 ILE HN 3.80 (# 0.9896 970:10 1.93,)
&rst
ixpk= 0, nxpk= 0, iat=1806,1796, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 123 ILE HA 123 ILE HN 3.50 (# 0.0000 971:10 2.92,)
&rst
ixpk= 0, nxpk= 0, iat=1798,1796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 GLY HN 123 ILE HN 4.20 (# 0.0000 972:10 3.50,)
&rst
ixpk= 0, nxpk= 0, iat=1293,1796, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 145 LEU HA 147 LYS HN 4.50 (# 0.0000 975:10 4.01,)
&rst
ixpk= 0, nxpk= 0, iat=2139,2175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 ASN HA 147 LYS HN 3.80 (# 0.0000 976:10 3.06,)
&rst
ixpk= 0, nxpk= 0, iat=2125,2175, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 145 LEU HN 147 LYS HN 4.00 (# 0.0000 977:10 3.57,)
&rst
ixpk= 0, nxpk= 0, iat=2137,2175, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 SER HN 82 ALA HN 2.80 (# 0.9824 978:10 2.42,)
&rst
ixpk= 0, nxpk= 0, iat=1176,1187, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 LEU HB3 82 ALA HN 5.00 (# 0.0000 979:10 3.00,)
&rst
ixpk= 0, nxpk= 0, iat=1162,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 PHE HB3 98 PHE HN 3.80 (# 0.0000 981:10 2.55,)
&rst
ixpk= 0, nxpk= 0, iat=1428,1423, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 98 PHE HB2 98 PHE HN 3.80 (# 0.9950 982:10 2.55,)
&rst
ixpk= 0, nxpk= 0, iat=1427,1423, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 41 LEU HA 41 LEU HN 2.80 (# 0.9996 985:10 2.27,)
&rst
ixpk= 0, nxpk= 0, iat= 581, 579, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 LEU HN 41 LEU HN 2.80 (# 0.0000 989:10 2.06,)
&rst
ixpk= 0, nxpk= 0, iat= 560, 579, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 LYS HB3 26 LEU HN 3.50 (# 0.9916 992:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 343, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 GLU HG2 26 LEU HN 6.20 (# 0.0000 993:10 5.19,)
&rst
ixpk= 0, nxpk= 0, iat= 386, 360, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 28 GLU HN 26 LEU HN 4.50 (# 0.0000 994:10 4.03,)
&rst
ixpk= 0, nxpk= 0, iat= 394, 360, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 LYS HG2 26 LEU HN 5.00 (# 0.0000 996:10 3.84,)
&rst
ixpk= 0, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 PRO HG3 132 GLU HN 3.50 (# 0.9227 998:10 1.79,)
&rst
ixpk= 0, nxpk= 0, iat=1932,1941, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 PRO HB3 132 GLU HN 4.00 (# 0.0000 999:10 2.71,)
&rst
ixpk= 0, nxpk= 0, iat=1935,1941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 LEU HB2 83 VAL HN 5.00 (# 0.0000 1004:10 2.64,)
&rst
ixpk= 0, nxpk= 0, iat=1161,1197, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 LEU HG 114 ALA HN 4.50 (# 0.9799 1006:10 3.34,)
&rst
ixpk= 0, nxpk= 0, iat=1164,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 GLY HA3 114 ALA HN 3.80 (# 0.0000 1007:10 2.93,)
&rst
ixpk= 0, nxpk= 0, iat=1652,1656, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 112 SER HB2 114 ALA HN 5.00 (# 0.9861 1009:10 3.90,)
&rst
ixpk= 0, nxpk= 0, iat=1642,1656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 LYS HA 114 ALA HN 4.20 (# 0.9037 1010:10 3.86,)
&rst
ixpk= 0, nxpk= 0, iat=1604,1656, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 22 LEU HB2 23 ALA HN 3.10 (# 0.9951 1018:10 2.38,)
&rst
ixpk= 0, nxpk= 0, iat= 298, 313, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 68 PRO HB2 69 PHE HN 4.00 (# 0.9641 1025:10 2.93,)
&rst
ixpk= 0, nxpk= 0, iat= 968, 975, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 PRO HD3 69 PHE HN 3.80 (# 0.0000 1026:10 2.67,)
&rst
ixpk= 0, nxpk= 0, iat= 963, 975, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 71 GLU HN 69 PHE HN 4.50 (# 0.0000 1028:10 3.71,)
&rst
ixpk= 0, nxpk= 0, iat=1016, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 GLU HA 109 LEU HN 3.80 (# 0.9929 1031:10 3.47,)
&rst
ixpk= 0, nxpk= 0, iat=1570,1583, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 41 LEU QD2 72 ALA HN 5.50 (# 0.0000 1034:10 3.53,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 592, 593, 594,
&end
#
# 73 LEU HB3 72 ALA HN 7.00 (# 0.0000 1035:10 4.66,)
&rst
ixpk= 0, nxpk= 0, iat=1046,1031, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 68 PRO HA 72 ALA HN 4.00 (# 0.9953 1038:10 3.40,)
&rst
ixpk= 0, nxpk= 0, iat= 971,1031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 109 LEU HB2 111 ASN HN 5.60 (# 0.0000 1044:10 4.83,)
&rst
ixpk= 0, nxpk= 0, iat=1587,1624, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 107 ALA HA 111 ASN HN 4.50 (# 0.9834 1045:10 3.91,)
&rst
ixpk= 0, nxpk= 0, iat=1560,1624, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 ASN HD22 111 ASN HN 5.00 (# 0.0000 1048:10 3.70,)
&rst
ixpk= 0, nxpk= 0, iat=1634,1624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 GLU HA 27 GLU HN 4.00 (# 0.9926 1054:10 3.55,)
&rst
ixpk= 0, nxpk= 0, iat= 325, 379, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 139 LEU HB2 139 LEU HN 3.20 (# 0.9997 1057:10 2.04,)
&rst
ixpk= 0, nxpk= 0, iat=2050,2046, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 139 LEU QD1 139 LEU HN 4.20 (# 0.0000 1058:10 1.92,)
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2055,2056,2057,
&end
#
# 139 LEU QD2 139 LEU HN 4.20 (# 0.9557 1059:10 1.92,)
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2059,2060,2061,
&end
#
# 121 LEU HG 139 LEU HN 5.00 (# 0.9424 1061:10 4.43,)
&rst
ixpk= 0, nxpk= 0, iat=1762,2046, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 ILE HG12 49 ILE HN 4.50 (# 0.9585 1068:10 2.86,)
&rst
ixpk= 0, nxpk= 0, iat= 53, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HN 49 ILE HN 4.50 (# 0.0000 1071:10 4.05,)
&rst
ixpk= 0, nxpk= 0, iat= 62, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLU HG2 34 GLU HN 4.50 (# 0.0000 1074:10 3.48,)
&rst
ixpk= 0, nxpk= 0, iat= 481, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 VAL QG1 19 ALA HN 4.50 (# 0.9881 1080:10 2.16,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 242, 243, 244,
&end
#
# 19 ALA HA 19 ALA HN 3.00 (# 0.9903 1081:10 2.80,)
&rst
ixpk= 0, nxpk= 0, iat= 254, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 94 GLU HA 94 GLU HN 3.00 (# 0.0000 1084:10 2.28,)
&rst
ixpk= 0, nxpk= 0, iat=1363,1361, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 TYR HN 94 GLU HN 3.00 (# 0.0000 1085:10 1.89,)
&rst
ixpk= 0, nxpk= 0, iat=1376,1361, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LEU QD1 44 LEU HN 6.50 (# 0.0000 1087:10 4.07,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 512, 513, 514,
&end
#
# 43 ASP HA 44 LEU HN 3.80 (# 0.9901 1092:10 3.44,)
&rst
ixpk= 0, nxpk= 0, iat= 615, 625, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 104 LYS HA 104 LYS HN 3.00 (# 0.9958 1097:10 2.72,)
&rst
ixpk= 0, nxpk= 0, iat=1504,1502, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 TYR HB3 18 VAL HN 3.50 (# 0.0000 1103:10 2.57,)
&rst
ixpk= 0, nxpk= 0, iat= 220, 236, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ILE QD1 31 PHE HN 6.20 (# 0.0000 1105:10 5.14,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 56, 57, 58,
&end
#
# 30 GLY HA3 31 PHE HN 3.50 (# 0.9867 1109:10 3.10,)
&rst
ixpk= 0, nxpk= 0, iat= 422, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 THR HN 31 PHE HN 5.00 (# 0.0000 1110:10 4.44,)
&rst
ixpk= 0, nxpk= 0, iat= 446, 426, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 LYS HG3 115 LYS HN 3.00 (# 0.0000 1114:10 2.01,)
&rst
ixpk= 0, nxpk= 0, iat=1674,1666, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 85 PHE HN 115 LYS HN 3.80 (# 0.9026 1116:10 2.83,)
&rst
ixpk= 0, nxpk= 0, iat=1237,1666, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 105 LEU HA 105 LEU HN 3.00 (# 0.9423 1117:10 2.74,)
&rst
ixpk= 0, nxpk= 0, iat=1526,1524, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 LEU HB3 105 LEU HN 3.00 (# 0.0000 1119:10 2.20,)
&rst
ixpk= 0, nxpk= 0, iat=1529,1524, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 104 LYS HB2 105 LEU HN 3.50 (# 0.9990 1120:10 2.47,)
&rst
ixpk= 0, nxpk= 0, iat=1506,1524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 ILE HG12 88 ILE HN 3.80 (# 0.9700 1123:10 2.52,)
&rst
ixpk= 0, nxpk= 0, iat=1284,1274, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 70 TYR HB3 70 TYR HN 3.00 (# 0.0000 1135:10 2.07,)
&rst
ixpk= 0, nxpk= 0, iat=1000, 995, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 69 PHE HB2 70 TYR HN 3.00 (# 0.9995 1136:10 1.90,)
&rst
ixpk= 0, nxpk= 0, iat= 979, 995, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 TYR HA 70 TYR HN 3.00 (# 0.9806 1137:10 2.73,)
&rst
ixpk= 0, nxpk= 0, iat= 997, 995, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LEU HB3 8 SER HN 5.20 (# 0.9319 1140:10 3.68,)
&rst
ixpk= 0, nxpk= 0, iat= 508, 114, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 36 LEU HN 8 SER HN 4.20 (# 0.9498 1142:10 3.85,)
&rst
ixpk= 0, nxpk= 0, iat= 503, 114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 60 GLY HA3 61 ASP HN 3.00 (# 0.0000 1144:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 856, 860, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 GLY HA2 61 ASP HN 3.00 (# 0.9519 1145:10 2.14,)
&rst
ixpk= 0, nxpk= 0, iat= 855, 860, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 111 ASN HN 110 LYS HN 2.60 (# 0.0000 1147:10 2.21,)
&rst
ixpk= 0, nxpk= 0, iat=1624,1602, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 107 ALA HA 110 LYS HN 4.00 (# 0.9859 1151:10 3.67,)
&rst
ixpk= 0, nxpk= 0, iat=1560,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 TYR HB3 17 TYR HN 3.00 (# 0.9994 1165:10 2.07,)
&rst
ixpk= 0, nxpk= 0, iat= 220, 215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 LEU QD1 107 ALA HN 6.30 (# 0.0000 1166:10 4.70,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1533,1534,1535,
&end
#
# 105 LEU HB3 107 ALA HN 5.20 (# 0.9640 1167:10 4.38,)
&rst
ixpk= 0, nxpk= 0, iat=1529,1558, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 106 GLU HA 107 ALA HN 3.80 (# 0.9789 1170:10 3.49,)
&rst
ixpk= 0, nxpk= 0, iat=1545,1558, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 105 LEU QD2 106 GLU HN 4.50 (# 0.0000 1174:10 2.54,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1537,1538,1539,
&end
#
# 106 GLU HG2 106 GLU HN 3.50 (# 0.0000 1177:10 2.41,)
&rst
ixpk= 0, nxpk= 0, iat=1550,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 LEU QD2 73 LEU HN 5.00 (# 0.9800 1181:10 2.92,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 592, 593, 594,
&end
#
# 74 GLN HN 73 LEU HN 3.00 (# 0.0000 1184:10 2.67,)
&rst
ixpk= 0, nxpk= 0, iat=1060,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 HIS HB3 22 LEU HN 3.20 (# 0.0000 1186:10 2.16,)
&rst
ixpk= 0, nxpk= 0, iat= 282, 294, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 145 LEU HB3 145 LEU HN 3.80 (# 0.9904 1188:10 2.06,)
&rst
ixpk= 0, nxpk= 0, iat=2142,2137, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 143 VAL HA 145 LEU HN 4.50 (# 0.0000 1192:10 3.85,)
&rst
ixpk= 0, nxpk= 0, iat=2109,2137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 TRP HA 145 LEU HN 4.00 (# 0.0000 1193:10 3.28,)
&rst
ixpk= 0, nxpk= 0, iat=2085,2137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 143 VAL HN 145 LEU HN 4.00 (# 0.0000 1195:10 3.67,)
&rst
ixpk= 0, nxpk= 0, iat=2107,2137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 ALA HA 22 LEU HN 4.00 (# 0.9725 1196:10 3.73,)
&rst
ixpk= 0, nxpk= 0, iat= 254, 294, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 LEU QD1 40 LEU HN 6.20 (# 0.0000 1200:10 3.92,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 512, 513, 514,
&end
#
# 36 LEU HB3 40 LEU HN 5.50 (# 0.0000 1202:10 4.47,)
&rst
ixpk= 0, nxpk= 0, iat= 508, 560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LYS HA 25 LYS HN 3.00 (# 0.9970 1208:10 2.75,)
&rst
ixpk= 0, nxpk= 0, iat= 340, 338, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 GLU HN 25 LYS HN 4.80 (# 0.0000 1209:10 4.02,)
&rst
ixpk= 0, nxpk= 0, iat= 379, 338, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 68 PRO HG3 67 SER HN 4.60 (# 0.9862 1213:10 3.61,)
&rst
ixpk= 0, nxpk= 0, iat= 966, 950, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 69 PHE HN 67 SER HN 3.80 (# 0.0000 1216:10 2.82,)
&rst
ixpk= 0, nxpk= 0, iat= 975, 950, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 142 TRP HD1 119 GLU HN 5.50 (# 0.0000 1219:10 4.68,)
&rst
ixpk= 0, nxpk= 0, iat=2091,1726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ALA QB 71 GLU HN 6.00 (# 0.0000 1223:10 4.78,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1035,1036,1037,
&end
#
# 71 GLU HG3 71 GLU HN 3.00 (# 0.9996 1224:10 2.17,)
&rst
ixpk= 0, nxpk= 0, iat=1024,1016, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 THR HB 118 GLY HN 4.50 (# 0.0000 1229:10 3.65,)
&rst
ixpk= 0, nxpk= 0, iat=1709,1719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 TRP HD1 118 GLY HN 5.00 (# 0.0000 1232:10 3.95,)
&rst
ixpk= 0, nxpk= 0, iat=2091,1719, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 LYS HN 108 GLU HN 4.50 (# 0.0000 1239:10 4.02,)
&rst
ixpk= 0, nxpk= 0, iat=1602,1568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 GLU HN 108 GLU HN 5.00 (# 0.0000 1240:10 4.58,)
&rst
ixpk= 0, nxpk= 0, iat=1543,1568, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 SER HA 10 SER HN 3.00 (# 0.0000 1241:10 2.28,)
&rst
ixpk= 0, nxpk= 0, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 ILE HG12 54 SER HN 3.50 (# 0.9862 1245:10 2.18,)
&rst
ixpk= 0, nxpk= 0, iat=1310, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 ILE HB 54 SER HN 4.50 (# 0.0000 1246:10 4.14,)
&rst
ixpk= 0, nxpk= 0, iat= 768, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 SER HA 54 SER HN 3.20 (# 0.0000 1248:10 2.88,)
&rst
ixpk= 0, nxpk= 0, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 88 ILE HN 54 SER HN 4.00 (# 0.9669 1249:10 3.56,)
&rst
ixpk= 0, nxpk= 0, iat=1274, 783, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 ILE HN 54 SER HN 4.50 (# 0.0000 1250:10 4.05,)
&rst
ixpk= 0, nxpk= 0, iat= 764, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 ALA QB 85 PHE HN 4.50 (# 0.0000 1253:10 2.52,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1660,1661,1662,
&end
#
# 115 LYS HG2 85 PHE HN 5.00 (# 0.9281 1254:10 3.19,)
&rst
ixpk= 0, nxpk= 0, iat=1673,1237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLU HA 20 GLU HN 3.00 (# 0.9955 1256:10 2.74,)
&rst
ixpk= 0, nxpk= 0, iat= 264, 262, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 THR QG2 20 GLU HN 4.50 (# 0.9652 1257:10 3.01,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 495, 496, 497,
&end
#
# 16 GLU HB3 20 GLU HN 4.50 (# 0.9382 1260:10 2.70,)
&rst
ixpk= 0, nxpk= 0, iat= 205, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 GLU HA 75 GLU HN 3.20 (# 0.9621 1261:10 2.88,)
&rst
ixpk= 0, nxpk= 0, iat=1079,1077, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 72 ALA HA 75 GLU HN 3.50 (# 0.9925 1262:10 3.22,)
&rst
ixpk= 0, nxpk= 0, iat=1033,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HN 65 ASN HN 4.00 (# 0.9902 1265:10 2.64,)
&rst
ixpk= 0, nxpk= 0, iat= 931, 917, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 ASN HA 65 ASN HN 3.00 (# 0.0000 1266:10 2.27,)
&rst
ixpk= 0, nxpk= 0, iat= 919, 917, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 64 ASP HA 65 ASN HN 3.70 (# 0.9953 1267:10 2.68,)
&rst
ixpk= 0, nxpk= 0, iat= 907, 917, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 143 VAL HB 144 ASN HN 2.80 (# 0.0000 1272:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat=2111,2123, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 141 SER HA 144 ASN HN 4.00 (# 0.0000 1273:10 3.37,)
&rst
ixpk= 0, nxpk= 0, iat=2074,2123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 35 THR QG2 24 GLU HN 6.20 (# 0.9732 1276:10 4.11,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 495, 496, 497,
&end
#
# 25 LYS HB2 24 GLU HN 6.00 (# 0.0000 1277:10 4.90,)
&rst
ixpk= 0, nxpk= 0, iat= 342, 323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 LEU HB3 24 GLU HN 5.50 (# 0.0000 1278:10 4.93,)
&rst
ixpk= 0, nxpk= 0, iat= 299, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 HIS HA 24 GLU HN 4.00 (# 0.0000 1281:10 3.58,)
&rst
ixpk= 0, nxpk= 0, iat= 279, 323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 ALA HN 24 GLU HN 3.00 (# 0.0000 1283:10 2.77,)
&rst
ixpk= 0, nxpk= 0, iat= 313, 323, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 ILE HG12 4 ILE HN 4.00 (# 0.9791 1284:10 3.07,)
&rst
ixpk= 0, nxpk= 0, iat= 53, 43, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 THR HB 4 ILE HN 4.50 (# 0.0000 1285:10 4.17,)
&rst
ixpk= 0, nxpk= 0, iat= 464, 43, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLU HN 4 ILE HN 4.20 (# 0.9871 1287:10 3.70,)
&rst
ixpk= 0, nxpk= 0, iat= 474, 43, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 91 GLY HA3 91 GLY HN 3.00 (# 0.9992 1289:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat=1322,1319, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 ILE HB 91 GLY HN 4.50 (# 0.0000 1291:10 2.92,)
&rst
ixpk= 0, nxpk= 0, iat=1304,1319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LYS HN 76 GLN HN 2.40 (# 0.0000 1292:10 2.07,)
&rst
ixpk= 0, nxpk= 0, iat=1109,1092, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 77 LYS HG3 76 GLN HN 4.50 (# 0.0000 1296:10 3.50,)
&rst
ixpk= 0, nxpk= 0, iat=1117,1092, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 THR QG2 56 THR HN 4.00 (# 0.0000 1297:10 2.43,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 811, 812, 813,
&end
#
# 56 THR HA 56 THR HN 3.20 (# 0.0000 1298:10 2.91,)
&rst
ixpk= 0, nxpk= 0, iat= 807, 805, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 73 LEU HA 74 GLN HN 3.80 (# 0.0000 1304:10 3.54,)
&rst
ixpk= 0, nxpk= 0, iat=1043,1060, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 44 LEU HN 42 GLU HN 5.50 (# 0.0000 1314:10 5.00,)
&rst
ixpk= 0, nxpk= 0, iat= 625, 598, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU HN 42 GLU HN 3.50 (# 0.0000 1315:10 3.09,)
&rst
ixpk= 0, nxpk= 0, iat= 560, 598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 SER HB2 92 SER HN 3.50 (# 0.0000 1316:10 2.16,)
&rst
ixpk= 0, nxpk= 0, iat=1330,1326, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 GLY HA2 58 GLY HN 3.00 (# 0.0000 1324:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat= 838, 836, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 SER HA 144 ASN HD22 3.50 (# 0.0000 1333:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat=2074,2133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 GLY HA3 89 GLY HN 3.00 (# 0.9995 1343:10 2.30,)
&rst
ixpk= 0, nxpk= 0, iat=1296,1293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 122 LYS HA 89 GLY HN 3.00 (# 0.9929 1344:10 2.19,)
&rst
ixpk= 0, nxpk= 0, iat=1776,1293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 123 ILE HN 89 GLY HN 4.00 (# 0.9670 1345:10 3.50,)
&rst
ixpk= 0, nxpk= 0, iat=1796,1293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 131 PRO HG2 124 ASN HD21 4.00 (# 0.0000 1348:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat=1931,1824, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 ILE QD1 32 THR HN 6.20 (# 0.0000 1350:10 4.98,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 56, 57, 58,
&end
#
# 108 GLU HA 111 ASN HD21 3.00 (# 0.0000 1354:10 1.91,)
&rst
ixpk= 0, nxpk= 0, iat=1570,1633, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 SER HN 143 VAL HN 4.50 (# 0.0000 1363:10 3.91,)
&rst
ixpk= 0, nxpk= 0, iat=2072,2107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 LEU HN 143 VAL HN 4.50 (# 0.9941 1364:10 3.67,)
&rst
ixpk= 0, nxpk= 0, iat=2137,2107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 ASP HA 97 THR HN 3.00 (# 0.0000 1367:10 2.22,)
&rst
ixpk= 0, nxpk= 0, iat=1399,1409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 ASP HN 97 THR HN 3.50 (# 0.0000 1370:10 1.85,)
&rst
ixpk= 0, nxpk= 0, iat=1397,1409, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 GLY HA2 13 GLY HN 3.00 (# 0.0000 1372:10 2.35,)
&rst
ixpk= 0, nxpk= 0, iat= 178, 176, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 LEU HB2 13 GLY HN 4.50 (# 0.0000 1373:10 3.00,)
&rst
ixpk= 0, nxpk= 0, iat= 161, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 THR HN 33 THR HN 5.00 (# 0.0000 1379:10 4.53,)
&rst
ixpk= 0, nxpk= 0, iat= 446, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 THR HA 65 ASN HD22 3.80 (# 0.9705 1385:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat= 807, 927, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 120 THR HA 116 GLN HE22 4.00 (# 0.9173 1386:10 2.87,)
&rst
ixpk= 0, nxpk= 0, iat=1743,1701, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 THR HN 116 GLN HE22 4.00 (# 0.9838 1392:10 3.38,)
&rst
ixpk= 0, nxpk= 0, iat=1741,1701, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 THR HN 116 GLN HE21 5.00 (# 0.9838 1393:10 3.38,)
&rst
ixpk= 0, nxpk= 0, iat=1741,1700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 GLY HA2 65 ASN HD21 4.00 (# 0.9534 1395:10 1.95,)
&rst
ixpk= 0, nxpk= 0, iat= 855, 926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 52 VAL HN 86 GLY HN 4.00 (# 0.0000 1396:10 3.26,)
&rst
ixpk= 0, nxpk= 0, iat= 748,1257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 GLY HA2 86 GLY HN 3.00 (# 0.9976 1398:10 2.49,)
&rst
ixpk= 0, nxpk= 0, iat=1259,1257, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 111 ASN HB2 113 GLY HN 6.00 (# 0.9262 1401:10 5.27,)
&rst
ixpk= 0, nxpk= 0, iat=1628,1649, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 LEU QD1 113 GLY HN 6.50 (# 0.9839 1404:10 3.57,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1166,1167,1168,
&end
#
# 80 LEU HB3 113 GLY HN 5.50 (# 0.9820 1405:10 3.50,)
&rst
ixpk= 0, nxpk= 0, iat=1162,1649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ALA QB 60 GLY HN 4.50 (# 0.0000 1413:10 2.03,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 847, 848, 849,
&end
#
# 31 PHE HN 30 GLY HN 2.20 (# 0.0000 1415:10 1.89,)
&rst
ixpk= 0, nxpk= 0, iat= 426, 419, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 142 TRP HN 140 GLY HN 5.00 (# 0.0000 1419:10 4.27,)
&rst
ixpk= 0, nxpk= 0, iat=2083,2065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 GLU HA 140 GLY HN 4.00 (# 0.9707 1420:10 3.43,)
&rst
ixpk= 0, nxpk= 0, iat=2009,2065, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 139 LEU QD1 140 GLY HN 5.50 (# 0.0000 1423:10 3.66,)
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2055,2056,2057,
&end
#
# 33 THR HA 3 ASP HN 3.80 (# 0.0000 1425:10 3.03,)
&rst
ixpk= 0, nxpk= 0, iat= 462, 31, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 4 ILE HB 3 ASP HN 4.50 (# 0.0000 1428:10 4.09,)
&rst
ixpk= 0, nxpk= 0, iat= 47, 31, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HB 6 LEU HN 4.50 (# 0.9842 1429:10 3.92,)
&rst
ixpk= 0, nxpk= 0, iat= 66, 76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 SER HA 8 SER HN 3.20 (# 0.0000 1430:10 2.94,)
&rst
ixpk= 0, nxpk= 0, iat= 116, 114, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 26 LEU QD1 26 LEU HN 4.00 (# 0.9900 1432:10 2.00,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 369, 370, 371,
&end
#
# 34 GLU HG3 34 GLU HN 4.50 (# 0.9657 1434:10 3.48,)
&rst
ixpk= 0, nxpk= 0, iat= 482, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 ILE HB 50 TRP HN 4.20 (# 0.0000 1436:10 3.36,)
&rst
ixpk= 0, nxpk= 0, iat= 690, 705, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 5 THR QG2 51 LEU HN 3.80 (# 0.9868 1438:10 2.26,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 68, 69, 70,
&end
#
# 51 LEU HB2 52 VAL HN 4.20 (# 0.0000 1440:10 3.30,)
&rst
ixpk= 0, nxpk= 0, iat= 733, 748, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 90 ILE QG2 56 THR HN 4.80 (# 0.9904 1443:10 1.94,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1306,1307,1308,
&end
#
# 90 ILE HB 56 THR HN 5.50 (# 0.0000 1444:10 3.81,)
&rst
ixpk= 0, nxpk= 0, iat=1304, 805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 GLY HA2 57 HIS HN 4.50 (# 0.9167 1447:10 2.00,)
&rst
ixpk= 0, nxpk= 0, iat=1321, 819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 THR QG2 57 HIS HN 5.00 (# 0.0000 1449:10 2.23,)
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 811, 812, 813,
&end
#
# 68 PRO HD2 69 PHE HN 3.50 (# 0.9980 1452:10 2.67,)
&rst
ixpk= 0, nxpk= 0, iat= 962, 975, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 LEU HA 76 GLN HN 4.00 (# 0.0000 1455:10 3.69,)
&rst
ixpk= 0, nxpk= 0, iat=1043,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 LYS HD2 77 LYS HN 5.50 (# 0.0000 1458:10 4.12,)
&rst
ixpk= 0, nxpk= 0, iat=1119,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ARG HD2 84 ARG HN 5.00 (# 0.9483 1459:10 3.13,)
&rst
ixpk= 0, nxpk= 0, iat=1223,1213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 SER HB3 92 SER HN 3.50 (# 0.9871 1460:10 2.16,)
&rst
ixpk= 0, nxpk= 0, iat=1331,1326, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 THR HB 97 THR HN 4.00 (# 0.0000 1461:10 3.43,)
&rst
ixpk= 0, nxpk= 0, iat=1413,1409, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 LEU QD2 105 LEU HN 5.50 (# 0.0000 1462:10 4.04,)
&rst
ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1537,1538,1539,
&end
#
# 120 THR HA 121 LEU HN 2.80 (# 1:10 Unique 2.14, 2.17 A)
&rst
ixpk= 1, nxpk= 10, iat=1743,1755, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 121 LEU MDY 121 LEU HN 5.50 (# 2:10 Unique 3.26, 5.07 A)
&rst
ixpk= 2, nxpk= 10, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 0 AMB 10-2:3 121 LEU HN 2.80 (# 3:10 Single Ambig)
&rst
ixpk= 3, nxpk= 10, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1759,1760,1747,1748,1749,
&end
#
# 0 AMB 10-2:4 121 LEU HN 5.50 (# 4:10 Single Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1284,1285,1313,1314,1315,
&end
#
# 0 AMB 10-2:6 6 LEU HN 4.50 (# 6:10 Single Ambig)
&rst
ixpk= 6, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 503, 62,
&end
#
# 34 GLU HN 6 LEU HN 4.50 (# 7:10 Unique 3.58, 3.61 A)
&rst
ixpk= 7, nxpk= 10, iat= 474, 76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HA 6 LEU HN 4.50 (# 8:10 Unique 2.95, 2.95 A)
&rst
ixpk= 8, nxpk= 10, iat= 78, 76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HA 6 LEU HN 2.80 (# 9:10 Unique 2.20, 2.21 A)
&rst
ixpk= 9, nxpk= 10, iat= 64, 76, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 LEU HB+ 6 LEU HN 3.50 (# 10:10 Unique 2.37, 2.93 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 80, 81,
&end
#
# 0 AMB 10-2:11 6 LEU HN 3.50 (# 11:10 Single Ambig)
&rst
ixpk= 11, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 80, 81, 510,
&end
#
# 6 LEU MDY 6 LEU HN 2.80 (# 12:10 Unique 2.94, 4.67 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 85, 86, 87, 89, 90, 91,
&end
#
# 36 LEU MDX 6 LEU HN 4.50 (# 13:10 Unique 2.24, 3.85 A)
&rst
ixpk= 13, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 51 LEU HN 50 TRP HN 4.50 (# 14:10 Unique 4.24, 4.28 A)
&rst
ixpk= 14, nxpk= 10, iat= 729, 705, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:15 50 TRP HN 3.50 (# 15:10 Single Ambig)
&rst
ixpk= 15, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 713,1239,
&end
#
# 49 ILE HA 50 TRP HN 2.80 (# 16:10 Unique 2.14, 2.14 A)
&rst
ixpk= 16, nxpk= 10, iat= 688, 705, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:17 50 TRP HN 5.50 (# 17:10 Single Ambig)
&rst
ixpk= 17, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1241,1242,1259,1260,
&end
#
# 50 TRP HB+ 50 TRP HN 3.50 (# 18:10 Unique 2.27, 2.97 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 709, 710,
&end
#
# 50 TRP HB- 50 TRP HN 4.50 (# 19:10 Unique 2.27, 2.97 A)
&rst
ixpk= 19, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 709, 710,
&end
#
# 85 PHE HB- 50 TRP HN 7.00 (# 20:10 Unique 4.87, 5.70 A)
&rst
ixpk= 20, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1241,1242,
&end
#
# 0 AMB 10-2:21 50 TRP HN 5.50 (# 21:10 Single Ambig)
&rst
ixpk= 21, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1201,1217,1218, 696, 697,
&end
#
# 49 ILE MG2 50 TRP HN 3.50 (# 22:10 Unique 2.64, 3.71 A)
&rst
ixpk= 22, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 692, 693, 694,
&end
#
# 0 AMB 10-2:23 50 TRP HN 4.50 (# 23:10 Single Ambig)
&rst
ixpk= 23, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 699, 700, 701, 68, 69, 70, 696, 697,
&end
#
# 7 ILE HA 36 LEU HN 7.00 (# 24:10 Unique 4.43, 4.56 A)
&rst
ixpk= 24, nxpk= 10, iat= 97, 503, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:25 36 LEU HN 5.50 (# 25:10 Single Ambig)
&rst
ixpk= 25, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91,
&end
#
# 35 THR HN 36 LEU HN 5.50 (# 26:10 Unique 4.57, 4.57 A)
&rst
ixpk= 26, nxpk= 10, iat= 489, 503, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 THR HA 36 LEU HN 2.80 (# 27:10 Unique 2.17, 2.17 A)
&rst
ixpk= 27, nxpk= 10, iat= 491, 503, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 LEU HA 36 LEU HN 3.50 (# 28:10 Unique 2.90, 2.90 A)
&rst
ixpk= 28, nxpk= 10, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 LEU HB+ 36 LEU HN 3.50 (# 29:10 Unique 2.57, 2.96 A)
&rst
ixpk= 29, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 80, 81,
&end
#
# 36 LEU HB+ 36 LEU HN 3.50 (# 30:10 Unique 3.35, 3.65 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 507, 508,
&end
#
# 0 AMB 10-2:31 36 LEU HN 3.50 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 510, 80, 81,
&end
#
# 36 LEU HB- 36 LEU HN 4.50 (# 32:10 Unique 3.35, 3.65 A)
&rst
ixpk= 32, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 507, 508,
&end
#
# 36 LEU MDY 36 LEU HN 4.50 (# 33:10 Unique 3.71, 4.52 A)
&rst
ixpk= 33, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 81 SER HN 80 LEU HN 3.50 (# 34:10 Unique 2.75, 3.11 A)
&rst
ixpk= 34, nxpk= 10, iat=1176,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ASP HA 80 LEU HN 2.80 (# 35:10 Unique 2.17, 2.18 A)
&rst
ixpk= 35, nxpk= 10, iat=1147,1157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 LEU HA 80 LEU HN 3.50 (# 36:10 Unique 2.92, 2.93 A)
&rst
ixpk= 36, nxpk= 10, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 SER HB+ 80 LEU HN 4.50 (# 37:10 Unique 3.72, 4.62 A)
&rst
ixpk= 37, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1642,1643,
&end
#
# 0 AMB 10-2:38 80 LEU HN 4.50 (# 38:10 Single Ambig)
&rst
ixpk= 38, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1642,1643,1180,1181,
&end
#
# 80 LEU HG 80 LEU HN 4.50 (# 39:10 Unique 4.03, 4.14 A)
&rst
ixpk= 39, nxpk= 10, iat=1164,1157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU HB- 80 LEU HN 3.50 (# 40:10 Unique 2.47, 3.09 A)
&rst
ixpk= 40, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1161,1162,
&end
#
# 0 AMB 10-2:41 80 LEU HN 3.50 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
&end
#
# 79 ASP HB- 80 LEU HN 5.50 (# 42:10 Unique 4.28, 4.44 A)
&rst
ixpk= 42, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1149,1150,
&end
#
# 0 AMB 10-2:43 84 ARG HN 4.50 (# 43:10 Single Ambig)
&rst
ixpk= 43, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 679,1197, 686,
&end
#
# 85 PHE HN 84 ARG HN 5.50 (# 44:10 Unique 4.53, 4.55 A)
&rst
ixpk= 44, nxpk= 10, iat=1237,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ARG HA 84 ARG HN 4.50 (# 45:10 Unique 2.91, 2.92 A)
&rst
ixpk= 45, nxpk= 10, iat=1215,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:46 84 ARG HN 2.80 (# 46:10 Single Ambig)
&rst
ixpk= 46, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1220,1221,1220,1221,
&end
#
# 49 ILE MD1 84 ARG HN 5.50 (# 47:10 Unique 2.94, 4.33 A)
&rst
ixpk= 47, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 699, 700, 701,
&end
#
# 83 VAL MGX 84 ARG HN 4.50 (# 48:10 Unique 1.86, 3.82 A)
&rst
ixpk= 48, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 83 VAL HA 84 ARG HN 2.80 (# 49:10 Unique 2.22, 2.24 A)
&rst
ixpk= 49, nxpk= 10, iat=1199,1213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 ARG HB+ 84 ARG HN 4.50 (# 50:10 Unique 2.42, 3.18 A)
&rst
ixpk= 50, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1217,1218,
&end
#
# 86 GLY HN 52 VAL HN 3.50 (# 51:10 Unique 3.36, 3.50 A)
&rst
ixpk= 51, nxpk= 10, iat=1257, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 LEU HA 52 VAL HN 2.80 (# 52:10 Unique 2.14, 2.14 A)
&rst
ixpk= 52, nxpk= 10, iat= 731, 748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 VAL HB 52 VAL HN 3.50 (# 53:10 Unique 3.07, 3.19 A)
&rst
ixpk= 53, nxpk= 10, iat= 752, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 VAL MGX 52 VAL HN 2.80 (# 54:10 Unique 2.29, 3.76 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 52 VAL MGY 52 VAL HN 4.50 (# 55:10 Unique 2.29, 3.76 A)
&rst
ixpk= 55, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 87 ALA HA 52 VAL HN 4.50 (# 56:10 Unique 3.21, 3.49 A)
&rst
ixpk= 56, nxpk= 10, iat=1266, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HA 52 VAL HN 4.50 (# 57:10 Unique 2.95, 2.95 A)
&rst
ixpk= 57, nxpk= 10, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:58 52 VAL HN 4.50 (# 58:10 Single Ambig)
&rst
ixpk= 58, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 774, 775, 99,1268,1269,1270,
&end
#
# 0 AMB 10-2:59 52 VAL HN 5.50 (# 59:10 Single Ambig)
&rst
ixpk= 59, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1284,1285, 738, 739, 740, 742, 743, 744, 777, 778,
779,
&end
#
# 0 AMB 10-2:60 52 VAL HN 3.50 (# 60:10 Single Ambig)
&rst
ixpk= 60, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 738, 739, 740, 742, 743, 744, 105, 106,
&end
#
# 0 AMB 10-2:61 116 GLN HN 5.50 (# 61:10 Single Ambig)
&rst
ixpk= 61, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1666,1602,
&end
#
# 115 LYS HA 116 GLN HN 2.80 (# 64:10 Unique 2.14, 2.15 A)
&rst
ixpk= 64, nxpk= 10, iat=1668,1688, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:65 116 GLN HN 3.50 (# 65:10 Single Ambig)
&rst
ixpk= 65, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1690,1241,1242,
&end
#
# 0 AMB 10-2:66 116 GLN HN 4.50 (# 66:10 Single Ambig)
&rst
ixpk= 66, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1615,1616,1615,1616,
&end
#
# 0 AMB 10-2:67 116 GLN HN 5.50 (# 67:10 Single Ambig)
&rst
ixpk= 67, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1695,1696,1344,1345,
&end
#
# 0 AMB 10-2:68 116 GLN HN 2.80 (# 68:10 Single Ambig)
&rst
ixpk= 68, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1692,1693,1609,1610,1670,1671,
&end
#
# 116 GLN HB- 116 GLN HN 2.80 (# 69:10 Unique 2.35, 2.53 A)
&rst
ixpk= 69, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1692,1693,
&end
#
# 0 AMB 10-2:71 138 TRP HE1 4.50 (# 71:10 Single Ambig)
&rst
ixpk= 71, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1747,1748,1749,1759,1760,
&end
#
# 53 ILE HA 53 ILE HN 5.50 (# 73:10 Unique 2.94, 2.95 A)
&rst
ixpk= 73, nxpk= 10, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 VAL MGX 53 ILE HN 4.50 (# 74:10 Unique 2.05, 3.93 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 52 VAL HA 53 ILE HN 2.80 (# 75:10 Unique 2.20, 2.22 A)
&rst
ixpk= 75, nxpk= 10, iat= 750, 764, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 ILE HB 53 ILE HN 3.50 (# 76:10 Unique 2.81, 2.87 A)
&rst
ixpk= 76, nxpk= 10, iat= 768, 764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:77 53 ILE HN 3.50 (# 77:10 Single Ambig)
&rst
ixpk= 77, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 99, 774, 775,
&end
#
# 141 SER HN 142 TRP HN 3.50 (# 78:10 Unique 2.92, 2.95 A)
&rst
ixpk= 78, nxpk= 10, iat=2072,2083, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 SER HB- 142 TRP HN 3.50 (# 79:10 Unique 2.21, 2.96 A)
&rst
ixpk= 79, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2076,2077,
&end
#
# 142 TRP HA 142 TRP HN 3.50 (# 80:10 Unique 2.73, 2.75 A)
&rst
ixpk= 80, nxpk= 10, iat=2085,2083, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 142 TRP HB+ 142 TRP HN 3.50 (# 81:10 Unique 2.29, 2.54 A)
&rst
ixpk= 81, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2087,2088,
&end
#
# 142 TRP HB- 142 TRP HN 2.80 (# 82:10 Unique 2.29, 2.54 A)
&rst
ixpk= 82, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2087,2088,
&end
#
# 141 SER HA 142 TRP HN 5.50 (# 83:10 Unique 3.56, 3.57 A)
&rst
ixpk= 83, nxpk= 10, iat=2074,2083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 GLY HA- 59 ALA HN 3.50 (# 85:10 Unique 2.28, 3.04 A)
&rst
ixpk= 85, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 838, 839,
&end
#
# 59 ALA MB 59 ALA HN 2.80 (# 86:10 Unique 2.22, 3.35 A)
&rst
ixpk= 86, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 847, 848, 849,
&end
#
# 0 AMB 10-2:87 117 THR HN 5.50 (# 87:10 Single Ambig)
&rst
ixpk= 87, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1700,1701,1350,
&end
#
# 86 GLY HA+ 117 THR HN 7.00 (# 89:10 Unique 3.22, 4.01 A)
&rst
ixpk= 89, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1259,1260,
&end
#
# 117 THR HA 117 THR HN 3.50 (# 90:10 Unique 2.86, 2.91 A)
&rst
ixpk= 90, nxpk= 10, iat=1707,1705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 THR HB 117 THR HN 2.80 (# 91:10 Unique 2.39, 2.51 A)
&rst
ixpk= 91, nxpk= 10, iat=1709,1705, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 GLN HA 117 THR HN 2.80 (# 92:10 Unique 2.14, 2.14 A)
&rst
ixpk= 92, nxpk= 10, iat=1690,1705, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 GLN HG+ 117 THR HN 3.50 (# 93:10 Unique 2.84, 3.39 A)
&rst
ixpk= 93, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1695,1696,
&end
#
# 0 AMB 10-2:94 117 THR HN 4.50 (# 94:10 Single Ambig)
&rst
ixpk= 94, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1217,1218,1692,1693,
&end
#
# 116 GLN HG- 117 THR HN 3.50 (# 95:10 Unique 2.84, 3.39 A)
&rst
ixpk= 95, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1695,1696,
&end
#
# 116 GLN HB- 117 THR HN 4.50 (# 96:10 Unique 4.19, 4.31 A)
&rst
ixpk= 96, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1692,1693,
&end
#
# 117 THR MG2 117 THR HN 4.50 (# 97:10 Unique 4.25, 4.56 A)
&rst
ixpk= 97, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1711,1712,1713,
&end
#
# 123 ILE HN 122 LYS HN 5.50 (# 98:10 Unique 4.31, 4.48 A)
&rst
ixpk= 98, nxpk= 10, iat=1796,1774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 LYS HA 122 LYS HN 3.50 (# 99:10 Unique 2.79, 2.86 A)
&rst
ixpk= 99, nxpk= 10, iat=1776,1774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 LEU HA 122 LYS HN 2.80 (# 100:10 Unique 2.21, 2.32 A)
&rst
ixpk= 100, nxpk= 10, iat=1757,1774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 122 LYS HB+ 122 LYS HN 3.50 (# 101:10 Unique 2.58, 3.18 A)
&rst
ixpk= 101, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1778,1779,
&end
#
# 0 AMB 10-2:102 122 LYS HN 4.50 (# 102:10 Single Ambig)
&rst
ixpk= 102, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1764,1765,1766,1768,1769,1770,1802,1803,1804,
&end
#
# 0 AMB 10-2:103 122 LYS HN 5.50 (# 103:10 Single Ambig)
&rst
ixpk= 103, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1284,1285,1809,1810,1811,
&end
#
# 117 THR HN 84 ARG HE 4.50 (# 104:10 Unique 3.68, 4.22 A)
&rst
ixpk= 104, nxpk= 10, iat=1705,1226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:105 84 ARG HE 4.50 (# 105:10 Single Ambig)
&rst
ixpk= 105, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2096,2093,
&end
#
# 142 TRP HD1 84 ARG HE 5.50 (# 106:10 Unique 4.68, 5.39 A)
&rst
ixpk= 106, nxpk= 10, iat=2091,1226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 GLY HA+ 84 ARG HE 5.50 (# 107:10 Unique 3.89, 4.68 A)
&rst
ixpk= 107, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1259,1260,
&end
#
# 117 THR HB 84 ARG HE 2.80 (# 108:10 Unique 1.98, 2.51 A)
&rst
ixpk= 108, nxpk= 10, iat=1709,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 86 GLY HA- 84 ARG HE 5.50 (# 109:10 Unique 3.89, 4.68 A)
&rst
ixpk= 109, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1259,1260,
&end
#
# 0 AMB 10-2:110 84 ARG HE 3.50 (# 110:10 Single Ambig)
&rst
ixpk= 110, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1711,1712,1713, 699, 700, 701,
&end
#
# 50 TRP HA 5 THR HN 3.50 (# 111:10 Unique 3.27, 3.35 A)
&rst
ixpk= 111, nxpk= 10, iat= 707, 62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:112 5 THR HN 2.80 (# 112:10 Single Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 45, 64,
&end
#
# 5 THR HB 5 THR HN 2.80 (# 113:10 Unique 2.82, 2.84 A)
&rst
ixpk= 113, nxpk= 10, iat= 66, 62, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:114 5 THR HN 5.50 (# 114:10 Single Ambig)
&rst
ixpk= 114, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 53, 54, 25, 26, 27, 80, 81,
&end
#
# 4 ILE MG2 5 THR HN 2.80 (# 115:10 Unique 2.32, 3.10 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 49, 50, 51,
&end
#
# 50 TRP HN 51 LEU HN 4.50 (# 116:10 Unique 4.24, 4.28 A)
&rst
ixpk= 116, nxpk= 10, iat= 705, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HN 51 LEU HN 4.50 (# 117:10 Unique 3.55, 3.63 A)
&rst
ixpk= 117, nxpk= 10, iat= 62, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HA 51 LEU HN 2.80 (# 118:10 Unique 2.15, 2.15 A)
&rst
ixpk= 118, nxpk= 10, iat= 707, 729, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 LEU HA 51 LEU HN 4.50 (# 119:10 Unique 3.53, 3.60 A)
&rst
ixpk= 119, nxpk= 10, iat= 78, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 LEU HA 51 LEU HN 4.50 (# 120:10 Unique 2.93, 2.94 A)
&rst
ixpk= 120, nxpk= 10, iat= 731, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HB- 51 LEU HN 4.50 (# 121:10 Unique 3.68, 4.09 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 709, 710,
&end
#
# 51 LEU HB+ 51 LEU HN 3.50 (# 122:10 Unique 2.47, 3.09 A)
&rst
ixpk= 122, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 733, 734,
&end
#
# 0 AMB 10-2:123 51 LEU HN 3.50 (# 123:10 Single Ambig)
&rst
ixpk= 123, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 49, 50, 51, 85, 86, 87, 89, 90, 91, 692,
693, 694,
&end
#
# 0 AMB 10-2:124 51 LEU HN 5.50 (# 124:10 Single Ambig)
&rst
ixpk= 124, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 713,1239,
&end
#
# 51 LEU HB- 51 LEU HN 3.50 (# 125:10 Unique 2.47, 3.09 A)
&rst
ixpk= 125, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 733, 734,
&end
#
# 0 AMB 10-2:126 51 LEU HN 5.50 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 108, 109, 110,1203,1204,1205,1207,1208,1209,
&end
#
# 47 SER HN 46 ALA HN 3.50 (# 128:10 Unique 3.33, 3.35 A)
&rst
ixpk= 128, nxpk= 10, iat= 668, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 PRO HA 46 ALA HN 2.80 (# 131:10 Unique 2.66, 2.70 A)
&rst
ixpk= 131, nxpk= 10, iat= 654, 658, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 ALA HA 46 ALA HN 3.50 (# 132:10 Unique 2.89, 2.90 A)
&rst
ixpk= 132, nxpk= 10, iat= 660, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 PRO HB+ 46 ALA HN 3.50 (# 133:10 Unique 1.93, 2.56 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 651, 652,
&end
#
# 45 PRO HB- 46 ALA HN 3.50 (# 134:10 Unique 1.93, 2.56 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 651, 652,
&end
#
# 46 ALA MB 46 ALA HN 2.80 (# 135:10 Unique 2.23, 2.94 A)
&rst
ixpk= 135, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 662, 663, 664,
&end
#
# 83 VAL MGX 46 ALA HN 5.50 (# 136:10 Unique 4.70, 6.64 A)
&rst
ixpk= 136, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 10-2:137 51 LEU HN 5.50 (# 137:10 Single Ambig)
&rst
ixpk= 137, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 738, 739, 740, 742, 743, 744, 105, 106,
&end
#
# 123 ILE HA 124 ASN HN 3.50 (# 138:10 Unique 2.14, 2.18 A)
&rst
ixpk= 138, nxpk= 10, iat=1798,1815, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 LEU HB- 46 ALA HN 7.00 (# 139:10 Unique 6.03, 6.41 A)
&rst
ixpk= 139, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 629, 630,
&end
#
# 119 GLU HN 120 THR HN 5.50 (# 140:10 Unique 4.37, 4.42 A)
&rst
ixpk= 140, nxpk= 10, iat=1726,1741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 GLN HE2- 120 THR HN 3.50 (# 141:10 Unique 3.36, 3.55 A)
&rst
ixpk= 141, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1700,1701,
&end
#
# 119 GLU HA 120 THR HN 3.50 (# 143:10 Unique 2.33, 2.41 A)
&rst
ixpk= 143, nxpk= 10, iat=1728,1741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 THR HB 120 THR HN 2.80 (# 144:10 Unique 2.27, 2.51 A)
&rst
ixpk= 144, nxpk= 10, iat=1745,1741, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:145 120 THR HN 4.50 (# 145:10 Single Ambig)
&rst
ixpk= 145, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1733,1734,1695,1696,
&end
#
# 119 GLU HB+ 120 THR HN 3.50 (# 146:10 Unique 2.29, 2.95 A)
&rst
ixpk= 146, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1730,1731,
&end
#
# 119 GLU HB- 120 THR HN 4.50 (# 147:10 Unique 2.29, 2.95 A)
&rst
ixpk= 147, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1730,1731,
&end
#
# 120 THR MG2 120 THR HN 4.50 (# 148:10 Unique 1.96, 3.59 A)
&rst
ixpk= 148, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1747,1748,1749,
&end
#
# 47 SER HN 50 TRP HE1 5.50 (# 149:10 Unique 2.97, 3.18 A)
&rst
ixpk= 149, nxpk= 10, iat= 668, 715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 TRP HD1 50 TRP HE1 2.80 (# 151:10 Unique 2.57, 2.57 A)
&rst
ixpk= 151, nxpk= 10, iat= 713, 715, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:152 50 TRP HE1 5.50 (# 152:10 Single Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 66, 681, 682,
&end
#
# 45 PRO HD+ 50 TRP HE1 5.50 (# 153:10 Unique 4.72, 5.37 A)
&rst
ixpk= 153, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 645, 646,
&end
#
# 0 AMB 10-2:154 50 TRP HE1 5.50 (# 154:10 Single Ambig)
&rst
ixpk= 154, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 629, 630,1201,
&end
#
# 44 LEU HB- 50 TRP HE1 5.50 (# 155:10 Unique 3.07, 3.50 A)
&rst
ixpk= 155, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 629, 630,
&end
#
# 83 VAL MGX 50 TRP HE1 3.50 (# 156:10 Unique 2.89, 4.12 A)
&rst
ixpk= 156, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 8 SER HN 7 ILE HN 5.50 (# 158:10 Unique 4.18, 4.21 A)
&rst
ixpk= 158, nxpk= 10, iat= 114, 95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU HA 7 ILE HN 2.80 (# 159:10 Unique 2.14, 2.14 A)
&rst
ixpk= 159, nxpk= 10, iat= 78, 95, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 VAL HA 7 ILE HN 4.50 (# 160:10 Unique 2.52, 2.65 A)
&rst
ixpk= 160, nxpk= 10, iat= 750, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ILE HA 7 ILE HN 5.50 (# 161:10 Unique 2.93, 2.94 A)
&rst
ixpk= 161, nxpk= 10, iat= 97, 95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LEU HB+ 7 ILE HN 5.50 (# 162:10 Unique 3.69, 4.17 A)
&rst
ixpk= 162, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 0 AMB 10-2:163 7 ILE HN 5.50 (# 163:10 Single Ambig)
&rst
ixpk= 163, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 83, 317, 318, 319,
&end
#
# 7 ILE HB 7 ILE HN 2.80 (# 164:10 Unique 2.82, 2.87 A)
&rst
ixpk= 164, nxpk= 10, iat= 99, 95, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 ILE HG1+ 7 ILE HN 4.50 (# 165:10 Unique 1.99, 2.63 A)
&rst
ixpk= 165, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 105, 106,
&end
#
# 6 LEU MDX 7 ILE HN 5.50 (# 166:10 Unique 2.85, 4.54 A)
&rst
ixpk= 166, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 85, 86, 87, 89, 90, 91,
&end
#
# 7 ILE MD1 7 ILE HN 5.50 (# 167:10 Unique 4.06, 4.47 A)
&rst
ixpk= 167, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 108, 109, 110,
&end
#
# 86 GLY HA+ 87 ALA HN 2.80 (# 168:10 Unique 2.14, 2.73 A)
&rst
ixpk= 168, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1259,1260,
&end
#
# 120 THR HA 87 ALA HN 5.50 (# 169:10 Unique 3.47, 3.76 A)
&rst
ixpk= 169, nxpk= 10, iat=1743,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 GLY HA- 87 ALA HN 3.50 (# 170:10 Unique 2.14, 2.73 A)
&rst
ixpk= 170, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1259,1260,
&end
#
# 87 ALA MB 87 ALA HN 2.80 (# 171:10 Unique 2.19, 2.95 A)
&rst
ixpk= 171, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1268,1269,1270,
&end
#
# 0 AMB 10-2:172 87 ALA HN 5.50 (# 172:10 Single Ambig)
&rst
ixpk= 172, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1759,1760,1747,1748,1749,1310,1311,
&end
#
# 116 GLN HE2- 87 ALA HN 4.50 (# 173:10 Unique 2.58, 3.44 A)
&rst
ixpk= 173, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1700,1701,
&end
#
# 0 AMB 10-2:174 87 ALA HN 5.50 (# 174:10 Single Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 738, 739, 740, 742, 743, 744,1287,1288,1289,
&end
#
# 122 LYS HA 123 ILE HN 2.80 (# 175:10 Unique 2.15, 2.17 A)
&rst
ixpk= 175, nxpk= 10, iat=1776,1796, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 131 PRO HG- 123 ILE HN 3.50 (# 176:10 Unique 1.95, 3.95 A)
&rst
ixpk= 176, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1931,1932,
&end
#
# 122 LYS HB+ 123 ILE HN 5.50 (# 177:10 Unique 3.09, 3.63 A)
&rst
ixpk= 177, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1778,1779,
&end
#
# 123 ILE HG1- 123 ILE HN 4.50 (# 178:10 Unique 2.03, 2.96 A)
&rst
ixpk= 178, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1806,1807,
&end
#
# 123 ILE MD1 123 ILE HN 4.50 (# 179:10 Unique 1.89, 3.56 A)
&rst
ixpk= 179, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1809,1810,1811,
&end
#
# 83 VAL HN 82 ALA HN 2.80 (# 180:10 Unique 1.86, 1.96 A)
&rst
ixpk= 180, nxpk= 10, iat=1197,1187, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:181 0 AMB 10-1:181 5.50 (# 181:10 Double Ambig)
&rst
ixpk= 181, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 821,1147,
igr2=1423,1187,
&end
#
# 0 AMB 10-2:182 82 ALA HN 2.80 (# 182:10 Single Ambig)
&rst
ixpk= 182, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1189,1159,
&end
#
# 0 AMB 10-2:183 82 ALA HN 3.50 (# 183:10 Single Ambig)
&rst
ixpk= 183, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1178, 670,
&end
#
# 0 AMB 10-2:184 82 ALA HN 4.50 (# 184:10 Single Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1180,1181,1180,1181,
&end
#
# 83 VAL HB 82 ALA HN 5.50 (# 185:10 Unique 4.50, 4.62 A)
&rst
ixpk= 185, nxpk= 10, iat=1201,1187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ALA MB 82 ALA HN 2.80 (# 186:10 Unique 2.35, 3.12 A)
&rst
ixpk= 186, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1191,1192,1193,
&end
#
# 80 LEU HB+ 82 ALA HN 5.50 (# 187:10 Unique 3.94, 4.61 A)
&rst
ixpk= 187, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1161,1162,
&end
#
# 147 LYS HA 147 LYS HN 2.80 (# 188:10 Unique 2.76, 2.83 A)
&rst
ixpk= 188, nxpk= 10, iat=2177,2175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 146 LEU HA 147 LYS HN 4.50 (# 189:10 Unique 3.47, 3.49 A)
&rst
ixpk= 189, nxpk= 10, iat=2158,2175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 147 LYS HB- 147 LYS HN 3.50 (# 190:10 Unique 2.07, 2.71 A)
&rst
ixpk= 190, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2179,2180,
&end
#
# 147 LYS HB+ 147 LYS HN 2.80 (# 191:10 Unique 2.07, 2.71 A)
&rst
ixpk= 191, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2179,2180,
&end
#
# 147 LYS HG- 147 LYS HN 3.50 (# 192:10 Unique 3.50, 4.00 A)
&rst
ixpk= 192, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2182,2183,
&end
#
# 147 LYS HG+ 147 LYS HN 4.50 (# 193:10 Unique 3.50, 4.00 A)
&rst
ixpk= 193, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2182,2183,
&end
#
# 146 LEU HB+ 147 LYS HN 4.50 (# 194:10 Unique 3.66, 3.94 A)
&rst
ixpk= 194, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2160,2161,
&end
#
# 146 LEU HG 147 LYS HN 4.50 (# 195:10 Unique 2.07, 2.13 A)
&rst
ixpk= 195, nxpk= 10, iat=2163,2175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:196 147 LYS HN 5.50 (# 196:10 Single Ambig)
&rst
ixpk= 196, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2146,2147,2148,2150,2151,2152,2144,1711,1712,1713,
&end
#
# 83 VAL MGX 82 ALA HN 4.50 (# 197:10 Unique 3.03, 5.32 A)
&rst
ixpk= 197, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 97 THR HA 98 PHE HN 4.50 (# 198:10 Unique 2.15, 2.45 A)
&rst
ixpk= 198, nxpk= 10, iat=1411,1423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:200 0 AMB 10-1:200 5.50 (# 200:10 Double Ambig)
&rst
ixpk= 200, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 474, 394,
igr2= 489, 360,
&end
#
# 36 LEU HN 35 THR HN 4.50 (# 201:10 Unique 4.57, 4.57 A)
&rst
ixpk= 201, nxpk= 10, iat= 503, 489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 THR HA 35 THR HN 3.50 (# 202:10 Unique 2.83, 2.83 A)
&rst
ixpk= 202, nxpk= 10, iat= 491, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 GLU HA 35 THR HN 2.80 (# 203:10 Unique 2.15, 2.15 A)
&rst
ixpk= 203, nxpk= 10, iat= 476, 489, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 THR HB 35 THR HN 2.80 (# 204:10 Unique 2.67, 2.81 A)
&rst
ixpk= 204, nxpk= 10, iat= 493, 489, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 GLU HG+ 35 THR HN 4.50 (# 205:10 Unique 3.36, 4.19 A)
&rst
ixpk= 205, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 481, 482,
&end
#
# 0 AMB 10-2:206 0 AMB 10-1:206 4.50 (# 206:10 Double Ambig)
&rst
ixpk= 206, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 345, 346, 80, 81, 510,
igr2= 360, 489,
&end
#
# 0 AMB 10-2:207 35 THR HN 4.50 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 512, 513, 514, 516, 517, 518, 495, 496, 497,
&end
#
# 40 LEU HA 41 LEU HN 3.50 (# 209:10 Unique 3.17, 3.19 A)
&rst
ixpk= 209, nxpk= 10, iat= 562, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 LEU HB+ 41 LEU HN 3.50 (# 210:10 Unique 3.15, 3.57 A)
&rst
ixpk= 210, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 583, 584,
&end
#
# 0 AMB 10-2:211 41 LEU HN 4.50 (# 211:10 Single Ambig)
&rst
ixpk= 211, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 564, 565, 586,
&end
#
# 0 AMB 10-2:212 41 LEU HN 4.50 (# 212:10 Single Ambig)
&rst
ixpk= 212, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 569, 570, 571, 573, 574, 575, 569, 570, 571, 573,
574, 575, 166, 167, 168, 170, 171, 172,
&end
#
# 0 AMB 10-2:213 41 LEU HN 3.50 (# 213:10 Single Ambig)
&rst
ixpk= 213, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 583, 584, 564, 565,
&end
#
# 27 GLU HN 26 LEU HN 3.50 (# 215:10 Unique 2.80, 2.83 A)
&rst
ixpk= 215, nxpk= 10, iat= 379, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 LYS HN 26 LEU HN 3.50 (# 216:10 Unique 2.88, 2.92 A)
&rst
ixpk= 216, nxpk= 10, iat= 338, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 GLU HN 26 LEU HN 5.50 (# 217:10 Unique 4.29, 4.34 A)
&rst
ixpk= 217, nxpk= 10, iat= 323, 360, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LEU HA 26 LEU HN 3.50 (# 218:10 Unique 2.74, 2.75 A)
&rst
ixpk= 218, nxpk= 10, iat= 362, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:219 26 LEU HN 3.50 (# 219:10 Single Ambig)
&rst
ixpk= 219, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 296, 315,
&end
#
# 26 LEU HB+ 26 LEU HN 2.80 (# 220:10 Unique 2.21, 2.87 A)
&rst
ixpk= 220, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 364, 365,
&end
#
# 0 AMB 10-2:221 26 LEU HN 4.50 (# 221:10 Single Ambig)
&rst
ixpk= 221, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 367,2053,
&end
#
# 0 AMB 10-2:222 26 LEU HN 4.50 (# 222:10 Single Ambig)
&rst
ixpk= 222, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 298, 299, 466, 467, 468,
&end
#
# 26 LEU MDY 26 LEU HN 3.50 (# 223:10 Unique 1.94, 3.86 A)
&rst
ixpk= 223, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 369, 370, 371, 373, 374, 375,
&end
#
# 36 LEU HA 37 HIS HN 2.80 (# 228:10 Unique 2.24, 2.28 A)
&rst
ixpk= 228, nxpk= 10, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 131 PRO HA 132 GLU HN 3.50 (# 229:10 Unique 3.51, 3.56 A)
&rst
ixpk= 229, nxpk= 10, iat=1937,1941, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 HIS HB- 37 HIS HN 3.50 (# 230:10 Unique 2.35, 3.26 A)
&rst
ixpk= 230, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 526, 527,
&end
#
# 129 ASP HB+ 132 GLU HN 5.50 (# 231:10 Unique 4.31, 4.92 A)
&rst
ixpk= 231, nxpk= 10, iat= -1,1941, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1900,1901,
&end
#
# 36 LEU HB- 37 HIS HN 4.50 (# 232:10 Unique 3.01, 3.15 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 507, 508,
&end
#
# 37 HIS HA 37 HIS HN 5.50 (# 233:10 Unique 2.92, 2.92 A)
&rst
ixpk= 233, nxpk= 10, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 HIS HB+ 37 HIS HN 3.50 (# 234:10 Unique 2.35, 3.26 A)
&rst
ixpk= 234, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 526, 527,
&end
#
# 82 ALA HN 83 VAL HN 2.80 (# 236:10 Unique 1.86, 1.96 A)
&rst
ixpk= 236, nxpk= 10, iat=1187,1197, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:237 83 VAL HN 4.50 (# 237:10 Single Ambig)
&rst
ixpk= 237, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1176,1213,
&end
#
# 0 AMB 10-2:238 83 VAL HN 3.50 (# 238:10 Single Ambig)
&rst
ixpk= 238, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1159,1189,1658,
&end
#
# 0 AMB 10-2:239 83 VAL HN 2.80 (# 239:10 Single Ambig)
&rst
ixpk= 239, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1199, 670,
&end
#
# 83 VAL HB 83 VAL HN 3.50 (# 240:10 Unique 2.81, 3.11 A)
&rst
ixpk= 240, nxpk= 10, iat=1201,1197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 ALA MB 83 VAL HN 3.50 (# 241:10 Unique 2.91, 3.84 A)
&rst
ixpk= 241, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1191,1192,1193,
&end
#
# 114 ALA MB 83 VAL HN 4.50 (# 242:10 Unique 4.00, 5.24 A)
&rst
ixpk= 242, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1660,1661,1662,
&end
#
# 80 LEU MDX 83 VAL HN 5.50 (# 243:10 Unique 3.71, 5.94 A)
&rst
ixpk= 243, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 83 VAL MGX 83 VAL HN 2.80 (# 244:10 Unique 1.91, 3.77 A)
&rst
ixpk= 244, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HN 114 ALA HN 5.50 (# 245:10 Unique 3.53, 3.71 A)
&rst
ixpk= 245, nxpk= 10, iat=1157,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:246 114 ALA HN 4.50 (# 246:10 Single Ambig)
&rst
ixpk= 246, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1666,1176,1602,
&end
#
# 113 GLY HN 114 ALA HN 2.80 (# 247:10 Unique 2.26, 2.38 A)
&rst
ixpk= 247, nxpk= 10, iat=1649,1656, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 114 ALA HA 114 ALA HN 2.80 (# 249:10 Unique 2.84, 2.86 A)
&rst
ixpk= 249, nxpk= 10, iat=1658,1656, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 113 GLY HA+ 114 ALA HN 3.50 (# 250:10 Unique 2.86, 3.21 A)
&rst
ixpk= 250, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1651,1652,
&end
#
# 0 AMB 10-2:251 114 ALA HN 5.50 (# 251:10 Single Ambig)
&rst
ixpk= 251, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1606,1607,1606,1607,
&end
#
# 0 AMB 10-2:252 114 ALA HN 7.00 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1=1670,1671,1217,1218,1138,1139,1201,
&end
#
# 80 LEU HB- 114 ALA HN 3.50 (# 253:10 Unique 1.87, 2.53 A)
&rst
ixpk= 253, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1161,1162,
&end
#
# 114 ALA MB 114 ALA HN 2.80 (# 254:10 Unique 2.20, 2.90 A)
&rst
ixpk= 254, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1660,1661,1662,
&end
#
# 80 LEU MDY 114 ALA HN 5.50 (# 255:10 Unique 3.11, 4.92 A)
&rst
ixpk= 255, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 80 LEU MDX 114 ALA HN 5.50 (# 256:10 Unique 3.11, 4.92 A)
&rst
ixpk= 256, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 29 ALA HN 28 GLU HN 2.80 (# 260:10 Unique 2.47, 2.57 A)
&rst
ixpk= 260, nxpk= 10, iat= 409, 394, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 GLU HA 28 GLU HN 5.50 (# 261:10 Unique 3.49, 3.53 A)
&rst
ixpk= 261, nxpk= 10, iat= 381, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:262 28 GLU HN 2.80 (# 262:10 Single Ambig)
&rst
ixpk= 262, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 396, 340,
&end
#
# 28 GLU HG+ 28 GLU HN 4.50 (# 263:10 Unique 2.27, 3.31 A)
&rst
ixpk= 263, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 401, 402,
&end
#
# 28 GLU HB- 28 GLU HN 3.50 (# 264:10 Unique 2.21, 2.94 A)
&rst
ixpk= 264, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 398, 399,
&end
#
# 0 AMB 10-2:265 28 GLU HN 2.80 (# 265:10 Single Ambig)
&rst
ixpk= 265, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 398, 399, 383, 384, 383, 384,
&end
#
# 27 GLU HN 28 GLU HN 3.50 (# 266:10 Unique 2.45, 2.62 A)
&rst
ixpk= 266, nxpk= 10, iat= 379, 394, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LEU HN 23 ALA HN 3.50 (# 267:10 Unique 2.96, 2.98 A)
&rst
ixpk= 267, nxpk= 10, iat= 294, 313, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 GLU HN 23 ALA HN 4.50 (# 268:10 Unique 2.86, 2.88 A)
&rst
ixpk= 268, nxpk= 10, iat= 323, 313, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:269 23 ALA HN 3.50 (# 269:10 Single Ambig)
&rst
ixpk= 269, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 315, 296,
&end
#
# 0 AMB 10-2:270 23 ALA HN 5.50 (# 270:10 Single Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 301, 266, 267,
&end
#
# 22 LEU HB- 23 ALA HN 3.50 (# 271:10 Unique 2.42, 2.69 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 298, 299,
&end
#
# 23 ALA MB 23 ALA HN 2.80 (# 272:10 Unique 2.14, 2.88 A)
&rst
ixpk= 272, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 317, 318, 319,
&end
#
# 33 THR HN 3 ASP HN 5.50 (# 273:10 Unique 4.20, 4.25 A)
&rst
ixpk= 273, nxpk= 10, iat= 460, 31, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 ALA HA 3 ASP HN 2.80 (# 274:10 Unique 2.52, 2.62 A)
&rst
ixpk= 274, nxpk= 10, iat= 23, 31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 THR HN 3 ASP HN 3.50 (# 275:10 Unique 3.18, 3.39 A)
&rst
ixpk= 275, nxpk= 10, iat= 446, 31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ILE HN 3 ASP HN 3.50 (# 276:10 Unique 1.93, 2.01 A)
&rst
ixpk= 276, nxpk= 10, iat= 43, 31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:278 3 ASP HN 2.80 (# 278:10 Single Ambig)
&rst
ixpk= 278, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 450, 33,
&end
#
# 3 ASP HB+ 3 ASP HN 3.50 (# 279:10 Unique 2.44, 2.75 A)
&rst
ixpk= 279, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 35, 36,
&end
#
# 3 ASP HB- 3 ASP HN 3.50 (# 280:10 Unique 2.44, 2.75 A)
&rst
ixpk= 280, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 35, 36,
&end
#
# 2 ALA MB 3 ASP HN 2.80 (# 281:10 Unique 2.17, 2.94 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 25, 26, 27,
&end
#
# 70 TYR HN 69 PHE HN 3.50 (# 282:10 Unique 2.93, 3.02 A)
&rst
ixpk= 282, nxpk= 10, iat= 995, 975, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HA 69 PHE HN 5.50 (# 284:10 Unique 3.77, 4.36 A)
&rst
ixpk= 284, nxpk= 10, iat= 933, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 PHE HA 69 PHE HN 3.50 (# 285:10 Unique 2.76, 2.78 A)
&rst
ixpk= 285, nxpk= 10, iat= 977, 975, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 PHE HB+ 69 PHE HN 2.80 (# 286:10 Unique 2.10, 2.60 A)
&rst
ixpk= 286, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 979, 980,
&end
#
# 69 PHE HB- 69 PHE HN 3.50 (# 287:10 Unique 2.10, 2.60 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 979, 980,
&end
#
# 68 PRO HB- 69 PHE HN 4.50 (# 288:10 Unique 3.02, 3.57 A)
&rst
ixpk= 288, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 968, 969,
&end
#
# 138 TRP HA 138 TRP HN 2.80 (# 290:10 Unique 2.74, 2.74 A)
&rst
ixpk= 290, nxpk= 10, iat=2024,2022, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 138 TRP HB+ 138 TRP HN 2.80 (# 291:10 Unique 2.08, 2.73 A)
&rst
ixpk= 291, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2026,2027,
&end
#
# 137 GLU HB+ 138 TRP HN 3.50 (# 292:10 Unique 2.63, 2.93 A)
&rst
ixpk= 292, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2011,2012,
&end
#
# 121 LEU HG 138 TRP HN 7.00 (# 293:10 Unique 4.84, 5.00 A)
&rst
ixpk= 293, nxpk= 10, iat=1762,2022, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 139 LEU HN 138 TRP HN 3.50 (# 295:10 Unique 2.93, 2.96 A)
&rst
ixpk= 295, nxpk= 10, iat=2046,2022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 LYS HN 109 LEU HN 3.50 (# 298:10 Unique 2.71, 2.78 A)
&rst
ixpk= 298, nxpk= 10, iat=1602,1583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 GLU HN 109 LEU HN 3.50 (# 299:10 Unique 2.52, 2.57 A)
&rst
ixpk= 299, nxpk= 10, iat=1568,1583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:300 109 LEU HN 3.50 (# 300:10 Single Ambig)
&rst
ixpk= 300, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1585,1545,
&end
#
# 108 GLU HB+ 109 LEU HN 3.50 (# 301:10 Unique 2.71, 3.15 A)
&rst
ixpk= 301, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1572,1573,
&end
#
# 109 LEU HG 109 LEU HN 2.80 (# 302:10 Unique 2.37, 2.41 A)
&rst
ixpk= 302, nxpk= 10, iat=1590,1583, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 109 LEU HB+ 109 LEU HN 2.80 (# 303:10 Unique 2.39, 3.01 A)
&rst
ixpk= 303, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1587,1588,
&end
#
# 109 LEU HB- 109 LEU HN 3.50 (# 304:10 Unique 2.39, 3.01 A)
&rst
ixpk= 304, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1587,1588,
&end
#
# 71 GLU HN 72 ALA HN 2.80 (# 306:10 Unique 2.87, 2.90 A)
&rst
ixpk= 306, nxpk= 10, iat=1016,1031, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:307 72 ALA HN 4.50 (# 307:10 Single Ambig)
&rst
ixpk= 307, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 995,1077,
&end
#
# 0 AMB 10-2:308 72 ALA HN 2.80 (# 308:10 Single Ambig)
&rst
ixpk= 308, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1033, 977,
&end
#
# 0 AMB 10-2:309 72 ALA HN 4.50 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1018, 997,
&end
#
# 71 GLU HG+ 72 ALA HN 5.50 (# 310:10 Unique 4.59, 4.71 A)
&rst
ixpk= 310, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1023,1024,
&end
#
# 71 GLU HB+ 72 ALA HN 2.80 (# 311:10 Unique 2.45, 2.81 A)
&rst
ixpk= 311, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1020,1021,
&end
#
# 72 ALA MB 72 ALA HN 2.80 (# 312:10 Unique 2.17, 2.88 A)
&rst
ixpk= 312, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1035,1036,1037,
&end
#
# 0 AMB 10-2:313 72 ALA HN 5.50 (# 313:10 Single Ambig)
&rst
ixpk= 313, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1048, 583, 584,
&end
#
# 110 LYS HN 111 ASN HN 2.80 (# 314:10 Unique 2.36, 2.43 A)
&rst
ixpk= 314, nxpk= 10, iat=1602,1624, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 112 SER HN 111 ASN HN 2.80 (# 315:10 Unique 2.54, 2.59 A)
&rst
ixpk= 315, nxpk= 10, iat=1638,1624, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 111 ASN HB- 111 ASN HN 2.80 (# 316:10 Unique 2.09, 2.62 A)
&rst
ixpk= 316, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1628,1629,
&end
#
# 0 AMB 10-2:317 111 ASN HN 3.50 (# 317:10 Single Ambig)
&rst
ixpk= 317, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1606,1607,1606,1607,
&end
#
# 0 AMB 10-2:318 111 ASN HN 2.80 (# 318:10 Single Ambig)
&rst
ixpk= 318, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1626,1604,
&end
#
# 108 GLU HA 111 ASN HN 3.50 (# 319:10 Unique 3.20, 3.24 A)
&rst
ixpk= 319, nxpk= 10, iat=1570,1624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LEU HN 27 GLU HN 2.80 (# 320:10 Unique 2.80, 2.83 A)
&rst
ixpk= 320, nxpk= 10, iat= 360, 379, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 GLU HN 27 GLU HN 2.80 (# 321:10 Unique 2.45, 2.62 A)
&rst
ixpk= 321, nxpk= 10, iat= 394, 379, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:322 27 GLU HN 4.50 (# 322:10 Single Ambig)
&rst
ixpk= 322, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 409, 338,
&end
#
# 27 GLU HA 27 GLU HN 3.50 (# 323:10 Unique 2.81, 2.83 A)
&rst
ixpk= 323, nxpk= 10, iat= 381, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:324 27 GLU HN 2.80 (# 324:10 Single Ambig)
&rst
ixpk= 324, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 386, 387, 386, 387,
&end
#
# 0 AMB 10-2:325 27 GLU HN 2.80 (# 325:10 Single Ambig)
&rst
ixpk= 325, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 383, 384, 383, 384,
&end
#
# 33 THR MG2 27 GLU HN 3.50 (# 326:10 Unique 3.12, 4.15 A)
&rst
ixpk= 326, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 466, 467, 468,
&end
#
# 0 AMB 10-2:327 27 GLU HN 4.50 (# 327:10 Single Ambig)
&rst
ixpk= 327, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 369, 370, 371, 373, 374, 375, 85, 86, 87, 89,
90, 91,
&end
#
# 138 TRP HN 139 LEU HN 3.50 (# 331:10 Unique 2.93, 2.96 A)
&rst
ixpk= 331, nxpk= 10, iat=2022,2046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 138 TRP HA 139 LEU HN 4.50 (# 332:10 Unique 3.56, 3.56 A)
&rst
ixpk= 332, nxpk= 10, iat=2024,2046, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:333 139 LEU HN 2.80 (# 333:10 Single Ambig)
&rst
ixpk= 333, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2048,1994,
&end
#
# 139 LEU HB- 139 LEU HN 3.50 (# 334:10 Unique 2.05, 2.70 A)
&rst
ixpk= 334, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2050,2051,
&end
#
# 140 GLY HN 139 LEU HN 3.50 (# 335:10 Unique 2.88, 2.90 A)
&rst
ixpk= 335, nxpk= 10, iat=2065,2046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 138 TRP HB+ 139 LEU HN 3.50 (# 336:10 Unique 2.10, 2.83 A)
&rst
ixpk= 336, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2026,2027,
&end
#
# 130 ILE HN 129 ASP HN 4.50 (# 338:10 Unique 2.28, 2.83 A)
&rst
ixpk= 338, nxpk= 10, iat=1908,1896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 HIS HA 129 ASP HN 2.80 (# 340:10 Unique 2.16, 2.33 A)
&rst
ixpk= 340, nxpk= 10, iat=1881,1896, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 129 ASP HB+ 129 ASP HN 3.50 (# 341:10 Unique 2.09, 3.25 A)
&rst
ixpk= 341, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1900,1901,
&end
#
# 137 GLU HB+ 137 GLU HN 3.50 (# 342:10 Unique 2.07, 2.70 A)
&rst
ixpk= 342, nxpk= 10, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2011,2012,
&end
#
# 6 LEU MDY 34 GLU HN 3.50 (# 344:10 Unique 2.95, 5.38 A)
&rst
ixpk= 344, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 85, 86, 87, 89, 90, 91,
&end
#
# 50 TRP HN 49 ILE HN 4.50 (# 345:10 Unique 4.06, 4.19 A)
&rst
ixpk= 345, nxpk= 10, iat= 705, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HD1 49 ILE HN 5.50 (# 346:10 Unique 3.33, 3.45 A)
&rst
ixpk= 346, nxpk= 10, iat= 713, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ILE HA 49 ILE HN 3.50 (# 347:10 Unique 2.94, 2.94 A)
&rst
ixpk= 347, nxpk= 10, iat= 688, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ILE HA 49 ILE HN 4.50 (# 348:10 Unique 3.06, 3.19 A)
&rst
ixpk= 348, nxpk= 10, iat= 45, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 GLY HA+ 49 ILE HN 3.50 (# 349:10 Unique 2.14, 2.66 A)
&rst
ixpk= 349, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 681, 682,
&end
#
# 48 GLY HA- 49 ILE HN 2.80 (# 350:10 Unique 2.14, 2.66 A)
&rst
ixpk= 350, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 681, 682,
&end
#
# 49 ILE HB 49 ILE HN 3.50 (# 351:10 Unique 2.87, 2.96 A)
&rst
ixpk= 351, nxpk= 10, iat= 690, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:352 49 ILE HN 4.50 (# 352:10 Single Ambig)
&rst
ixpk= 352, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 49, 50, 51, 692, 693, 694,
&end
#
# 0 AMB 10-2:353 49 ILE HN 2.80 (# 353:10 Single Ambig)
&rst
ixpk= 353, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 696, 697, 699, 700, 701,
&end
#
# 0 AMB 10-2:354 19 ALA HN 4.50 (# 354:10 Single Ambig)
&rst
ixpk= 354, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 240, 266, 267,
&end
#
# 19 ALA MB 19 ALA HN 2.80 (# 355:10 Unique 2.09, 2.88 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 256, 257, 258,
&end
#
# 18 VAL HN 19 ALA HN 3.50 (# 356:10 Unique 2.18, 2.21 A)
&rst
ixpk= 356, nxpk= 10, iat= 236, 252, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:357 19 ALA HN 4.50 (# 357:10 Single Ambig)
&rst
ixpk= 357, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 770, 771, 772, 777, 778, 779, 495, 496, 497, 774,
775,1809,1810,1811,
&end
#
# 6 LEU HN 34 GLU HN 3.50 (# 358:10 Unique 3.58, 3.61 A)
&rst
ixpk= 358, nxpk= 10, iat= 76, 474, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 THR HN 34 GLU HN 5.50 (# 359:10 Unique 4.40, 4.42 A)
&rst
ixpk= 359, nxpk= 10, iat= 460, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 THR HA 34 GLU HN 2.80 (# 360:10 Unique 2.28, 2.29 A)
&rst
ixpk= 360, nxpk= 10, iat= 462, 474, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 THR HA 34 GLU HN 3.50 (# 361:10 Unique 3.00, 3.05 A)
&rst
ixpk= 361, nxpk= 10, iat= 64, 474, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 THR HB 34 GLU HN 2.80 (# 362:10 Unique 2.74, 2.77 A)
&rst
ixpk= 362, nxpk= 10, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:363 34 GLU HN 3.50 (# 363:10 Single Ambig)
&rst
ixpk= 363, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 478, 479, 80, 81,
&end
#
# 0 AMB 10-2:364 34 GLU HN 3.50 (# 364:10 Single Ambig)
&rst
ixpk= 364, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 25, 26, 27, 80, 81,
&end
#
# 93 ARG HA 94 GLU HN 5.50 (# 365:10 Unique 2.45, 3.32 A)
&rst
ixpk= 365, nxpk= 10, iat=1339,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLU HB+ 94 GLU HN 3.50 (# 366:10 Unique 2.40, 3.30 A)
&rst
ixpk= 366, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1365,1366,
&end
#
# 105 LEU HN 104 LYS HN 3.50 (# 369:10 Unique 2.81, 2.87 A)
&rst
ixpk= 369, nxpk= 10, iat=1524,1502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:371 104 LYS HN 5.50 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1492, 907,
&end
#
# 0 AMB 10-2:372 104 LYS HN 4.50 (# 372:10 Single Ambig)
&rst
ixpk= 372, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 909, 910,1494,1495,
&end
#
# 104 LYS HB+ 104 LYS HN 2.80 (# 373:10 Unique 2.36, 3.05 A)
&rst
ixpk= 373, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1506,1507,
&end
#
# 104 LYS HG+ 104 LYS HN 2.80 (# 374:10 Unique 2.43, 2.69 A)
&rst
ixpk= 374, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1509,1510,
&end
#
# 104 LYS HG- 104 LYS HN 3.50 (# 375:10 Unique 2.43, 2.69 A)
&rst
ixpk= 375, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1509,1510,
&end
#
# 5 THR HN 44 LEU HN 5.50 (# 376:10 Unique 4.98, 5.11 A)
&rst
ixpk= 376, nxpk= 10, iat= 62, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HN 44 LEU HN 2.80 (# 377:10 Unique 2.63, 2.65 A)
&rst
ixpk= 377, nxpk= 10, iat= 613, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 LEU HA 44 LEU HN 3.50 (# 379:10 Unique 2.93, 2.93 A)
&rst
ixpk= 379, nxpk= 10, iat= 627, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HA 44 LEU HN 4.50 (# 380:10 Unique 3.30, 3.31 A)
&rst
ixpk= 380, nxpk= 10, iat= 600, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 THR HB 44 LEU HN 5.50 (# 381:10 Unique 2.31, 2.36 A)
&rst
ixpk= 381, nxpk= 10, iat= 66, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HB+ 44 LEU HN 3.50 (# 382:10 Unique 3.29, 3.37 A)
&rst
ixpk= 382, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 617, 618,
&end
#
# 44 LEU HB+ 44 LEU HN 2.80 (# 383:10 Unique 2.40, 3.04 A)
&rst
ixpk= 383, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 629, 630,
&end
#
# 44 LEU HG 44 LEU HN 2.80 (# 384:10 Unique 2.87, 2.90 A)
&rst
ixpk= 384, nxpk= 10, iat= 632, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 LEU MDX 44 LEU HN 4.50 (# 385:10 Unique 3.61, 4.70 A)
&rst
ixpk= 385, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 84 ARG HA 115 LYS HN 3.50 (# 388:10 Unique 1.94, 2.24 A)
&rst
ixpk= 388, nxpk= 10, iat=1215,1666, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 ALA HA 115 LYS HN 2.80 (# 389:10 Unique 2.22, 2.31 A)
&rst
ixpk= 389, nxpk= 10, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:390 115 LYS HN 3.50 (# 390:10 Single Ambig)
&rst
ixpk= 390, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1670,1671,1217,1218,
&end
#
# 115 LYS HG+ 115 LYS HN 3.50 (# 391:10 Unique 1.98, 2.47 A)
&rst
ixpk= 391, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1673,1674,
&end
#
# 114 ALA MB 115 LYS HN 2.80 (# 392:10 Unique 2.58, 3.46 A)
&rst
ixpk= 392, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1660,1661,1662,
&end
#
# 114 ALA HN 115 LYS HN 5.50 (# 393:10 Unique 4.59, 4.62 A)
&rst
ixpk= 393, nxpk= 10, iat=1656,1666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLY HN 31 PHE HN 2.80 (# 394:10 Unique 1.91, 1.96 A)
&rst
ixpk= 394, nxpk= 10, iat= 419, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 ALA HN 31 PHE HN 4.50 (# 395:10 Unique 3.79, 3.88 A)
&rst
ixpk= 395, nxpk= 10, iat= 409, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:397 31 PHE HN 2.80 (# 397:10 Single Ambig)
&rst
ixpk= 397, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 428, 381,
&end
#
# 30 GLY HA+ 31 PHE HN 4.50 (# 398:10 Unique 3.11, 3.27 A)
&rst
ixpk= 398, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 421, 422,
&end
#
# 31 PHE HB+ 31 PHE HN 3.50 (# 399:10 Unique 3.45, 3.51 A)
&rst
ixpk= 399, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 430, 431,
&end
#
# 31 PHE HB- 31 PHE HN 3.50 (# 400:10 Unique 3.45, 3.51 A)
&rst
ixpk= 400, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 430, 431,
&end
#
# 29 ALA MB 31 PHE HN 4.50 (# 401:10 Unique 3.05, 4.07 A)
&rst
ixpk= 401, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 413, 414, 415,
&end
#
# 106 GLU HN 105 LEU HN 4.50 (# 402:10 Unique 3.10, 3.12 A)
&rst
ixpk= 402, nxpk= 10, iat=1543,1524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LYS HN 105 LEU HN 4.50 (# 403:10 Unique 2.81, 2.87 A)
&rst
ixpk= 403, nxpk= 10, iat=1502,1524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 LEU HB+ 105 LEU HN 3.50 (# 404:10 Unique 2.15, 2.54 A)
&rst
ixpk= 404, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1528,1529,
&end
#
# 105 LEU HG 105 LEU HN 4.50 (# 405:10 Unique 4.48, 4.51 A)
&rst
ixpk= 405, nxpk= 10, iat=1531,1524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 ALA HN 105 LEU HN 5.50 (# 406:10 Unique 3.91, 3.94 A)
&rst
ixpk= 406, nxpk= 10, iat=1558,1524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ALA HN 18 VAL HN 3.50 (# 407:10 Unique 2.18, 2.21 A)
&rst
ixpk= 407, nxpk= 10, iat= 252, 236, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 TYR HN 18 VAL HN 3.50 (# 408:10 Unique 2.81, 2.94 A)
&rst
ixpk= 408, nxpk= 10, iat= 215, 236, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 TYR HA 18 VAL HN 5.50 (# 409:10 Unique 3.51, 3.56 A)
&rst
ixpk= 409, nxpk= 10, iat= 217, 236, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HA 18 VAL HN 4.50 (# 410:10 Unique 2.91, 2.92 A)
&rst
ixpk= 410, nxpk= 10, iat= 238, 236, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 VAL HB 18 VAL HN 2.80 (# 411:10 Unique 2.55, 2.63 A)
&rst
ixpk= 411, nxpk= 10, iat= 240, 236, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 VAL MGX 18 VAL HN 2.80 (# 412:10 Unique 2.16, 3.86 A)
&rst
ixpk= 412, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 18 VAL MGY 18 VAL HN 4.50 (# 413:10 Unique 2.16, 3.86 A)
&rst
ixpk= 413, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 54 SER HN 88 ILE HN 4.50 (# 414:10 Unique 3.44, 3.68 A)
&rst
ixpk= 414, nxpk= 10, iat= 783,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 VAL HB 88 ILE HN 7.00 (# 415:10 Unique 5.60, 5.87 A)
&rst
ixpk= 415, nxpk= 10, iat= 752,1274, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 121 LEU MDY 88 ILE HN 5.50 (# 416:10 Unique 5.99, 7.29 A)
&rst
ixpk= 416, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 90 ILE HG1+ 88 ILE HN 3.50 (# 417:10 Unique 2.13, 2.94 A)
&rst
ixpk= 417, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1310,1311,
&end
#
# 89 GLY HN 88 ILE HN 5.50 (# 418:10 Unique 3.95, 4.13 A)
&rst
ixpk= 418, nxpk= 10, iat=1293,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 ALA HA 88 ILE HN 2.80 (# 419:10 Unique 2.14, 2.17 A)
&rst
ixpk= 419, nxpk= 10, iat=1266,1274, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 ILE HA 88 ILE HN 4.50 (# 420:10 Unique 2.56, 2.79 A)
&rst
ixpk= 420, nxpk= 10, iat= 766,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ILE HA 88 ILE HN 4.50 (# 421:10 Unique 2.94, 2.95 A)
&rst
ixpk= 421, nxpk= 10, iat=1276,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:422 88 ILE HN 2.80 (# 422:10 Single Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1310,1311,1278,1268,1269,1270,
&end
#
# 0 AMB 10-2:423 88 ILE HN 4.50 (# 423:10 Single Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1284,1285, 774, 775,
&end
#
# 88 ILE MG2 88 ILE HN 5.50 (# 424:10 Unique 4.41, 4.69 A)
&rst
ixpk= 424, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1280,1281,1282,
&end
#
# 27 GLU HN 29 ALA HN 5.50 (# 427:10 Unique 3.82, 3.86 A)
&rst
ixpk= 427, nxpk= 10, iat= 379, 409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 GLU HA 29 ALA HN 5.50 (# 428:10 Unique 3.64, 3.69 A)
&rst
ixpk= 428, nxpk= 10, iat= 381, 409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ALA HA 29 ALA HN 3.50 (# 429:10 Unique 2.79, 2.81 A)
&rst
ixpk= 429, nxpk= 10, iat= 411, 409, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:430 29 ALA HN 3.50 (# 430:10 Single Ambig)
&rst
ixpk= 430, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 396, 340,
&end
#
# 28 GLU HB+ 29 ALA HN 4.50 (# 431:10 Unique 3.22, 3.68 A)
&rst
ixpk= 431, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 398, 399,
&end
#
# 29 ALA MB 29 ALA HN 2.80 (# 432:10 Unique 2.22, 2.88 A)
&rst
ixpk= 432, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 413, 414, 415,
&end
#
# 71 GLU HN 70 TYR HN 3.50 (# 433:10 Unique 2.80, 2.84 A)
&rst
ixpk= 433, nxpk= 10, iat=1016, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 PHE HN 70 TYR HN 3.50 (# 434:10 Unique 2.93, 3.02 A)
&rst
ixpk= 434, nxpk= 10, iat= 975, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 TYR HD 70 TYR HN 4.50 (# 435:10 Unique 3.48, 4.37 A)
&rst
ixpk= 435, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1003,1012,
&end
#
# 69 PHE HA 70 TYR HN 5.50 (# 437:10 Unique 3.57, 3.57 A)
&rst
ixpk= 437, nxpk= 10, iat= 977, 995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:438 70 TYR HN 2.80 (# 438:10 Single Ambig)
&rst
ixpk= 438, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 979, 980, 999,1000,
&end
#
# 0 AMB 10-2:439 70 TYR HN 7.00 (# 439:10 Single Ambig)
&rst
ixpk= 439, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 940, 941, 942, 944, 945, 946, 588, 589, 590, 592,
593, 594,
&end
#
# 38 GLY HN 8 SER HN 4.50 (# 440:10 Unique 2.29, 2.58 A)
&rst
ixpk= 440, nxpk= 10, iat= 539, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 HIS HA 8 SER HN 3.50 (# 441:10 Unique 2.77, 2.99 A)
&rst
ixpk= 441, nxpk= 10, iat= 524, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ILE HA 8 SER HN 2.80 (# 442:10 Unique 2.16, 2.16 A)
&rst
ixpk= 442, nxpk= 10, iat= 97, 114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:443 8 SER HN 2.80 (# 443:10 Single Ambig)
&rst
ixpk= 443, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 118, 119, 118, 119,
&end
#
# 61 ASP HA 61 ASP HN 3.50 (# 444:10 Unique 2.73, 2.89 A)
&rst
ixpk= 444, nxpk= 10, iat= 862, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 ASP HB- 61 ASP HN 3.50 (# 445:10 Unique 2.09, 2.89 A)
&rst
ixpk= 445, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 864, 865,
&end
#
# 112 SER HN 110 LYS HN 5.50 (# 446:10 Unique 3.74, 3.80 A)
&rst
ixpk= 446, nxpk= 10, iat=1638,1602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:448 110 LYS HN 4.50 (# 448:10 Single Ambig)
&rst
ixpk= 448, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1585,1545,
&end
#
# 110 LYS HG+ 110 LYS HN 4.50 (# 449:10 Unique 2.07, 2.85 A)
&rst
ixpk= 449, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1609,1610,
&end
#
# 0 AMB 10-2:450 110 LYS HN 2.80 (# 450:10 Single Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1606,1607,1606,1607,
&end
#
# 109 LEU HB- 110 LYS HN 4.50 (# 451:10 Unique 2.51, 3.05 A)
&rst
ixpk= 451, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1587,1588,
&end
#
# 129 ASP HN 130 ILE HN 4.50 (# 452:10 Unique 2.28, 2.83 A)
&rst
ixpk= 452, nxpk= 10, iat=1896,1908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:453 130 ILE HN 2.80 (# 453:10 Single Ambig)
&rst
ixpk= 453, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1910,1898,
&end
#
# 129 ASP HB+ 130 ILE HN 3.50 (# 454:10 Unique 1.94, 2.41 A)
&rst
ixpk= 454, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1900,1901,
&end
#
# 130 ILE HB 130 ILE HN 3.50 (# 455:10 Unique 2.22, 2.66 A)
&rst
ixpk= 455, nxpk= 10, iat=1912,1908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 ILE HG1+ 130 ILE HN 4.50 (# 457:10 Unique 3.74, 4.23 A)
&rst
ixpk= 457, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1918,1919,
&end
#
# 130 ILE MG2 130 ILE HN 4.50 (# 458:10 Unique 3.99, 4.50 A)
&rst
ixpk= 458, nxpk= 10, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1914,1915,1916,
&end
#
# 16 GLU HA 17 TYR HN 5.50 (# 460:10 Unique 3.29, 3.32 A)
&rst
ixpk= 460, nxpk= 10, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU HN 43 ASP HN 5.50 (# 461:10 Unique 4.73, 4.82 A)
&rst
ixpk= 461, nxpk= 10, iat= 560, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLU HA 43 ASP HN 4.50 (# 462:10 Unique 2.23, 2.25 A)
&rst
ixpk= 462, nxpk= 10, iat= 600, 613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 LEU HB- 43 ASP HN 5.50 (# 463:10 Unique 4.44, 5.01 A)
&rst
ixpk= 463, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 564, 565,
&end
#
# 44 LEU HN 43 ASP HN 2.80 (# 464:10 Unique 2.63, 2.65 A)
&rst
ixpk= 464, nxpk= 10, iat= 625, 613, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 ASP HA 43 ASP HN 3.50 (# 465:10 Unique 2.78, 2.80 A)
&rst
ixpk= 465, nxpk= 10, iat= 615, 613, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 ASP HB+ 43 ASP HN 2.80 (# 466:10 Unique 2.07, 2.68 A)
&rst
ixpk= 466, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 617, 618,
&end
#
# 0 AMB 10-2:467 43 ASP HN 4.50 (# 467:10 Single Ambig)
&rst
ixpk= 467, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 605, 606, 605, 606,
&end
#
# 42 GLU HB+ 43 ASP HN 4.50 (# 468:10 Unique 3.98, 4.24 A)
&rst
ixpk= 468, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 602, 603,
&end
#
# 40 LEU HB+ 43 ASP HN 4.50 (# 469:10 Unique 4.44, 5.01 A)
&rst
ixpk= 469, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 565,
&end
#
# 44 LEU HG 43 ASP HN 5.50 (# 470:10 Unique 4.60, 4.65 A)
&rst
ixpk= 470, nxpk= 10, iat= 632, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 LEU HB- 43 ASP HN 7.00 (# 471:10 Unique 4.80, 5.56 A)
&rst
ixpk= 471, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 629, 630,
&end
#
# 0 AMB 10-2:472 43 ASP HN 5.50 (# 472:10 Single Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 569, 570, 571, 573, 574, 575, 85, 86, 87, 89,
90, 91, 85, 86, 87, 89, 90, 91,
&end
#
# 106 GLU HN 107 ALA HN 3.50 (# 473:10 Unique 2.73, 2.75 A)
&rst
ixpk= 473, nxpk= 10, iat=1543,1558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LEU HN 107 ALA HN 5.50 (# 474:10 Unique 3.97, 4.04 A)
&rst
ixpk= 474, nxpk= 10, iat=1583,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:475 107 ALA HN 2.80 (# 475:10 Single Ambig)
&rst
ixpk= 475, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1560,1504,
&end
#
# 106 GLU HG+ 107 ALA HN 5.50 (# 476:10 Unique 4.22, 4.77 A)
&rst
ixpk= 476, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1550,1551,
&end
#
# 106 GLU HB+ 107 ALA HN 2.80 (# 477:10 Unique 2.78, 3.28 A)
&rst
ixpk= 477, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1547,1548,
&end
#
# 0 AMB 10-2:478 107 ALA HN 7.00 (# 478:10 Single Ambig)
&rst
ixpk= 478, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1609,1610,1531,
&end
#
# 107 ALA MB 107 ALA HN 2.80 (# 479:10 Unique 2.07, 2.87 A)
&rst
ixpk= 479, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1562,1563,1564,
&end
#
# 0 AMB 10-2:480 107 ALA HN 5.50 (# 480:10 Single Ambig)
&rst
ixpk= 480, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1587,1588,1509,1510,
&end
#
# 0 AMB 10-2:481 106 GLU HN 5.50 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1531,1609,1610,
&end
#
# 0 AMB 10-2:482 106 GLU HN 4.50 (# 482:10 Single Ambig)
&rst
ixpk= 482, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1587,1588,1268,1269,1270,1509,1510,
&end
#
# 105 LEU HN 106 GLU HN 3.50 (# 483:10 Unique 3.10, 3.12 A)
&rst
ixpk= 483, nxpk= 10, iat=1524,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 GLU HN 106 GLU HN 5.50 (# 484:10 Unique 4.61, 4.65 A)
&rst
ixpk= 484, nxpk= 10, iat=1568,1543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 ALA HN 106 GLU HN 3.50 (# 485:10 Unique 2.73, 2.75 A)
&rst
ixpk= 485, nxpk= 10, iat=1558,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 ASP HA 106 GLU HN 5.50 (# 486:10 Unique 3.54, 3.64 A)
&rst
ixpk= 486, nxpk= 10, iat=1492,1543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HB 106 GLU HN 7.00 (# 487:10 Unique 5.54, 5.61 A)
&rst
ixpk= 487, nxpk= 10, iat= 809,1543, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:488 106 GLU HN 5.50 (# 488:10 Single Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1330,1331,1526,
&end
#
# 106 GLU HA 106 GLU HN 3.50 (# 489:10 Unique 2.76, 2.77 A)
&rst
ixpk= 489, nxpk= 10, iat=1545,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:490 106 GLU HN 2.80 (# 490:10 Single Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1550,1551,1547,1548,
&end
#
# 105 LEU HB+ 106 GLU HN 3.50 (# 491:10 Unique 1.91, 2.62 A)
&rst
ixpk= 491, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1528,1529,
&end
#
# 105 LEU HB- 106 GLU HN 4.50 (# 492:10 Unique 1.91, 2.62 A)
&rst
ixpk= 492, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1528,1529,
&end
#
# 0 AMB 10-2:494 107 ALA HN 5.50 (# 494:10 Single Ambig)
&rst
ixpk= 494, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1612,1613,1341,1342,
&end
#
# 22 LEU HN 21 HIS HN 2.80 (# 497:10 Unique 2.85, 2.86 A)
&rst
ixpk= 497, nxpk= 10, iat= 294, 277, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:498 21 HIS HN 3.50 (# 498:10 Single Ambig)
&rst
ixpk= 498, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 262, 252,
&end
#
# 21 HIS HA 21 HIS HN 3.50 (# 499:10 Unique 2.78, 2.78 A)
&rst
ixpk= 499, nxpk= 10, iat= 279, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 GLU HA 21 HIS HN 5.50 (# 500:10 Unique 3.54, 3.56 A)
&rst
ixpk= 500, nxpk= 10, iat= 264, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HA 21 HIS HN 5.50 (# 501:10 Unique 3.61, 3.69 A)
&rst
ixpk= 501, nxpk= 10, iat= 238, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 HIS HB+ 21 HIS HN 2.80 (# 502:10 Unique 2.41, 2.53 A)
&rst
ixpk= 502, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 281, 282,
&end
#
# 21 HIS HB- 21 HIS HN 2.80 (# 503:10 Unique 2.41, 2.53 A)
&rst
ixpk= 503, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 281, 282,
&end
#
# 20 GLU HB- 21 HIS HN 2.80 (# 504:10 Unique 2.23, 2.88 A)
&rst
ixpk= 504, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 266, 267,
&end
#
# 18 VAL MGX 21 HIS HN 7.00 (# 505:10 Unique 4.80, 6.20 A)
&rst
ixpk= 505, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 144 ASN HA 146 LEU HN 5.50 (# 507:10 Unique 4.37, 4.72 A)
&rst
ixpk= 507, nxpk= 10, iat=2125,2156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 LEU HN 146 LEU HN 2.80 (# 508:10 Unique 2.58, 2.63 A)
&rst
ixpk= 508, nxpk= 10, iat=2137,2156, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 145 LEU HA 146 LEU HN 5.50 (# 509:10 Unique 3.54, 3.56 A)
&rst
ixpk= 509, nxpk= 10, iat=2139,2156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LEU HA 146 LEU HN 3.50 (# 510:10 Unique 2.81, 2.83 A)
&rst
ixpk= 510, nxpk= 10, iat=2158,2156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 143 VAL HA 146 LEU HN 4.50 (# 511:10 Unique 3.58, 3.68 A)
&rst
ixpk= 511, nxpk= 10, iat=2109,2156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LEU HB- 146 LEU HN 3.50 (# 512:10 Unique 2.22, 2.93 A)
&rst
ixpk= 512, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2160,2161,
&end
#
# 146 LEU HB+ 146 LEU HN 3.50 (# 513:10 Unique 2.22, 2.93 A)
&rst
ixpk= 513, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2160,2161,
&end
#
# 146 LEU HG 146 LEU HN 3.50 (# 514:10 Unique 2.72, 2.81 A)
&rst
ixpk= 514, nxpk= 10, iat=2163,2156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 146 LEU MDX 146 LEU HN 4.50 (# 515:10 Unique 1.95, 4.42 A)
&rst
ixpk= 515, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 71 GLU HN 73 LEU HN 5.50 (# 516:10 Unique 4.09, 4.13 A)
&rst
ixpk= 516, nxpk= 10, iat=1016,1041, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:517 73 LEU HN 4.50 (# 517:10 Single Ambig)
&rst
ixpk= 517, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1033, 977,
&end
#
# 0 AMB 10-2:518 73 LEU HN 3.50 (# 518:10 Single Ambig)
&rst
ixpk= 518, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 997,1018,
&end
#
# 73 LEU HA 73 LEU HN 3.50 (# 519:10 Unique 2.75, 2.75 A)
&rst
ixpk= 519, nxpk= 10, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 ALA MB 73 LEU HN 2.80 (# 520:10 Unique 2.58, 3.41 A)
&rst
ixpk= 520, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1035,1036,1037,
&end
#
# 73 LEU HG 73 LEU HN 2.80 (# 521:10 Unique 2.51, 2.58 A)
&rst
ixpk= 521, nxpk= 10, iat=1048,1041, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 LEU HB- 73 LEU HN 3.50 (# 522:10 Unique 2.29, 2.94 A)
&rst
ixpk= 522, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1045,1046,
&end
#
# 41 LEU MDX 73 LEU HN 4.50 (# 523:10 Unique 3.30, 4.60 A)
&rst
ixpk= 523, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU MDX 73 LEU HN 4.50 (# 524:10 Unique 3.86, 4.51 A)
&rst
ixpk= 524, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LEU MDY 73 LEU HN 4.50 (# 525:10 Unique 3.86, 4.51 A)
&rst
ixpk= 525, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 23 ALA HN 22 LEU HN 3.50 (# 526:10 Unique 2.96, 2.98 A)
&rst
ixpk= 526, nxpk= 10, iat= 313, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 HIS HN 22 LEU HN 3.50 (# 527:10 Unique 2.85, 2.86 A)
&rst
ixpk= 527, nxpk= 10, iat= 277, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LEU HG 22 LEU HN 2.80 (# 528:10 Unique 2.73, 2.80 A)
&rst
ixpk= 528, nxpk= 10, iat= 301, 294, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 LEU HB- 22 LEU HN 3.50 (# 529:10 Unique 2.22, 2.88 A)
&rst
ixpk= 529, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 298, 299,
&end
#
# 22 LEU HB+ 22 LEU HN 4.50 (# 530:10 Unique 2.22, 2.88 A)
&rst
ixpk= 530, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 298, 299,
&end
#
# 0 AMB 10-2:531 22 LEU HN 4.50 (# 531:10 Single Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 303, 304, 305, 307, 308, 309, 369, 370, 371, 373,
374, 375,
&end
#
# 21 HIS HA 22 LEU HN 5.50 (# 532:10 Unique 3.56, 3.56 A)
&rst
ixpk= 532, nxpk= 10, iat= 279, 294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LEU HA 22 LEU HN 4.50 (# 533:10 Unique 2.75, 2.76 A)
&rst
ixpk= 533, nxpk= 10, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HB+ 22 LEU HN 4.50 (# 534:10 Unique 2.21, 3.07 A)
&rst
ixpk= 534, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 281, 282,
&end
#
# 18 VAL MGY 22 LEU HN 4.50 (# 535:10 Unique 3.25, 5.04 A)
&rst
ixpk= 535, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 146 LEU HN 145 LEU HN 2.80 (# 537:10 Unique 2.58, 2.63 A)
&rst
ixpk= 537, nxpk= 10, iat=2156,2137, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 144 ASN HN 145 LEU HN 3.50 (# 538:10 Unique 2.61, 2.64 A)
&rst
ixpk= 538, nxpk= 10, iat=2123,2137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 144 ASN HA 145 LEU HN 4.50 (# 539:10 Unique 3.42, 3.43 A)
&rst
ixpk= 539, nxpk= 10, iat=2125,2137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 LEU HA 145 LEU HN 3.50 (# 540:10 Unique 2.81, 2.86 A)
&rst
ixpk= 540, nxpk= 10, iat=2139,2137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 147 LYS HB+ 145 LEU HN 4.50 (# 541:10 Unique 4.49, 5.23 A)
&rst
ixpk= 541, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2179,2180,
&end
#
# 145 LEU HB+ 145 LEU HN 2.80 (# 542:10 Unique 2.04, 2.69 A)
&rst
ixpk= 542, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2141,2142,
&end
#
# 145 LEU MDX 145 LEU HN 2.80 (# 543:10 Unique 2.68, 4.45 A)
&rst
ixpk= 543, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2146,2147,2148,2150,2151,2152,
&end
#
# 146 LEU MDX 145 LEU HN 7.00 (# 544:10 Unique 3.86, 6.34 A)
&rst
ixpk= 544, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 94 GLU HN 95 TYR HN 4.50 (# 545:10 Unique 1.90, 2.38 A)
&rst
ixpk= 545, nxpk= 10, iat=1361,1376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 TYR HA 95 TYR HN 4.50 (# 547:10 Unique 2.79, 2.89 A)
&rst
ixpk= 547, nxpk= 10, iat=1378,1376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 TYR HB- 95 TYR HN 5.50 (# 548:10 Unique 2.08, 2.72 A)
&rst
ixpk= 548, nxpk= 10, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1380,1381,
&end
#
# 95 TYR HB+ 95 TYR HN 3.50 (# 549:10 Unique 2.08, 2.72 A)
&rst
ixpk= 549, nxpk= 10, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1380,1381,
&end
#
# 94 GLU HB+ 95 TYR HN 3.50 (# 550:10 Unique 1.94, 3.00 A)
&rst
ixpk= 550, nxpk= 10, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1365,1366,
&end
#
# 41 LEU HN 40 LEU HN 4.50 (# 551:10 Unique 1.99, 2.03 A)
&rst
ixpk= 551, nxpk= 10, iat= 579, 560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 LEU HA 40 LEU HN 3.50 (# 552:10 Unique 2.94, 2.95 A)
&rst
ixpk= 552, nxpk= 10, iat= 562, 560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 PRO HA 40 LEU HN 3.50 (# 553:10 Unique 3.57, 3.57 A)
&rst
ixpk= 553, nxpk= 10, iat= 556, 560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:554 40 LEU HN 4.50 (# 554:10 Single Ambig)
&rst
ixpk= 554, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 567, 583, 584,
&end
#
# 40 LEU HB- 40 LEU HN 4.50 (# 555:10 Unique 2.45, 3.08 A)
&rst
ixpk= 555, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 565,
&end
#
# 40 LEU HB+ 40 LEU HN 2.80 (# 556:10 Unique 2.45, 3.08 A)
&rst
ixpk= 556, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 564, 565,
&end
#
# 40 LEU MDX 40 LEU HN 4.50 (# 557:10 Unique 4.55, 5.11 A)
&rst
ixpk= 557, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 569, 570, 571, 573, 574, 575,
&end
#
# 26 LEU HN 25 LYS HN 3.50 (# 558:10 Unique 2.88, 2.92 A)
&rst
ixpk= 558, nxpk= 10, iat= 360, 338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 GLU HN 25 LYS HN 3.50 (# 559:10 Unique 2.99, 3.02 A)
&rst
ixpk= 559, nxpk= 10, iat= 323, 338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:560 25 LYS HN 4.50 (# 560:10 Single Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 296, 315,
&end
#
# 24 GLU HB- 25 LYS HN 3.50 (# 561:10 Unique 2.01, 2.82 A)
&rst
ixpk= 561, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 327, 328,
&end
#
# 24 GLU HB+ 25 LYS HN 4.50 (# 562:10 Unique 2.01, 2.82 A)
&rst
ixpk= 562, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 327, 328,
&end
#
# 25 LYS HB+ 25 LYS HN 2.80 (# 563:10 Unique 2.70, 3.15 A)
&rst
ixpk= 563, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 342, 343,
&end
#
# 25 LYS HB- 25 LYS HN 3.50 (# 564:10 Unique 2.70, 3.15 A)
&rst
ixpk= 564, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 342, 343,
&end
#
# 25 LYS HG+ 25 LYS HN 3.50 (# 565:10 Unique 1.99, 2.77 A)
&rst
ixpk= 565, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 345, 346,
&end
#
# 25 LYS HG- 25 LYS HN 3.50 (# 566:10 Unique 1.99, 2.77 A)
&rst
ixpk= 566, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 345, 346,
&end
#
# 0 AMB 10-2:567 25 LYS HN 7.00 (# 567:10 Single Ambig)
&rst
ixpk= 567, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 369, 370, 371, 373, 374, 375, 303, 304, 305, 307,
308, 309,
&end
#
# 25 LYS HD+ 25 LYS HN 4.50 (# 568:10 Unique 2.37, 3.04 A)
&rst
ixpk= 568, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 348, 349,
&end
#
# 66 LEU HA 67 SER HN 5.50 (# 569:10 Unique 2.14, 2.18 A)
&rst
ixpk= 569, nxpk= 10, iat= 933, 950, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 THR HA 67 SER HN 2.80 (# 570:10 Unique 2.70, 2.84 A)
&rst
ixpk= 570, nxpk= 10, iat= 145, 950, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:571 67 SER HN 2.80 (# 571:10 Single Ambig)
&rst
ixpk= 571, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 954, 955, 954, 955,
&end
#
# 68 PRO HD+ 67 SER HN 3.50 (# 572:10 Unique 1.73, 2.40 A)
&rst
ixpk= 572, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 962, 963,
&end
#
# 68 PRO HD- 67 SER HN 3.50 (# 573:10 Unique 1.73, 2.40 A)
&rst
ixpk= 573, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 962, 963,
&end
#
# 66 LEU MDY 67 SER HN 4.50 (# 574:10 Unique 2.72, 5.17 A)
&rst
ixpk= 574, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 940, 941, 942, 944, 945, 946,
&end
#
# 119 GLU HA 119 GLU HN 3.50 (# 575:10 Unique 2.28, 2.85 A)
&rst
ixpk= 575, nxpk= 10, iat=1728,1726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 GLY HA- 119 GLU HN 3.50 (# 576:10 Unique 2.14, 2.75 A)
&rst
ixpk= 576, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1721,1722,
&end
#
# 118 GLY HA+ 119 GLU HN 3.50 (# 577:10 Unique 2.14, 2.75 A)
&rst
ixpk= 577, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1721,1722,
&end
#
# 119 GLU HG+ 119 GLU HN 2.80 (# 578:10 Unique 2.08, 3.06 A)
&rst
ixpk= 578, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1733,1734,
&end
#
# 119 GLU HB+ 119 GLU HN 4.50 (# 579:10 Unique 3.51, 3.69 A)
&rst
ixpk= 579, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1730,1731,
&end
#
# 119 GLU HB- 119 GLU HN 4.50 (# 580:10 Unique 3.51, 3.69 A)
&rst
ixpk= 580, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1730,1731,
&end
#
# 70 TYR HN 71 GLU HN 3.50 (# 581:10 Unique 2.80, 2.84 A)
&rst
ixpk= 581, nxpk= 10, iat= 995,1016, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:582 71 GLU HN 3.50 (# 582:10 Single Ambig)
&rst
ixpk= 582, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1031,1041,
&end
#
# 70 TYR HD 71 GLU HN 4.50 (# 583:10 Unique 2.43, 3.59 A)
&rst
ixpk= 583, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1003,1012,
&end
#
# 68 PRO HA 71 GLU HN 4.50 (# 584:10 Unique 3.72, 3.86 A)
&rst
ixpk= 584, nxpk= 10, iat= 971,1016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:585 71 GLU HN 3.50 (# 585:10 Single Ambig)
&rst
ixpk= 585, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1018, 997,
&end
#
# 70 TYR HB+ 71 GLU HN 4.50 (# 586:10 Unique 2.57, 3.53 A)
&rst
ixpk= 586, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 999,1000,
&end
#
# 70 TYR HB- 71 GLU HN 4.50 (# 587:10 Unique 2.57, 3.53 A)
&rst
ixpk= 587, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 999,1000,
&end
#
# 71 GLU HG+ 71 GLU HN 3.50 (# 588:10 Unique 2.95, 3.12 A)
&rst
ixpk= 588, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1023,1024,
&end
#
# 71 GLU HB+ 71 GLU HN 2.80 (# 589:10 Unique 2.24, 2.90 A)
&rst
ixpk= 589, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1020,1021,
&end
#
# 119 GLU HN 118 GLY HN 4.50 (# 590:10 Unique 2.34, 4.28 A)
&rst
ixpk= 590, nxpk= 10, iat=1726,1719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 THR HA 118 GLY HN 2.80 (# 591:10 Unique 2.15, 2.18 A)
&rst
ixpk= 591, nxpk= 10, iat=1707,1719, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 THR MG2 118 GLY HN 2.80 (# 592:10 Unique 2.13, 3.39 A)
&rst
ixpk= 592, nxpk= 10, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1711,1712,1713,
&end
#
# 109 LEU HN 108 GLU HN 2.80 (# 593:10 Unique 2.52, 2.57 A)
&rst
ixpk= 593, nxpk= 10, iat=1583,1568, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 ALA HN 108 GLU HN 2.80 (# 594:10 Unique 2.85, 2.88 A)
&rst
ixpk= 594, nxpk= 10, iat=1558,1568, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 GLN HE2+ 108 GLU HN 5.50 (# 595:10 Unique 5.52, 5.94 A)
&rst
ixpk= 595, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1072,1073,
&end
#
# 108 GLU HA 108 GLU HN 3.50 (# 596:10 Unique 2.82, 2.84 A)
&rst
ixpk= 596, nxpk= 10, iat=1570,1568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 GLU HG+ 108 GLU HN 3.50 (# 597:10 Unique 2.56, 3.30 A)
&rst
ixpk= 597, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1575,1576,
&end
#
# 108 GLU HB- 108 GLU HN 3.50 (# 598:10 Unique 2.26, 2.93 A)
&rst
ixpk= 598, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1572,1573,
&end
#
# 0 AMB 10-2:599 108 GLU HN 7.00 (# 599:10 Single Ambig)
&rst
ixpk= 599, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1=1609,1610,1045,1046,1119,1120,1531,
&end
#
# 107 ALA MB 108 GLU HN 2.80 (# 600:10 Unique 2.65, 3.21 A)
&rst
ixpk= 600, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1562,1563,1564,
&end
#
# 10 SER HB- 10 SER HN 4.50 (# 602:10 Unique 2.69, 3.25 A)
&rst
ixpk= 602, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 136, 137,
&end
#
# 53 ILE HA 54 SER HN 2.80 (# 603:10 Unique 2.14, 2.15 A)
&rst
ixpk= 603, nxpk= 10, iat= 766, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 SER HB+ 54 SER HN 4.50 (# 604:10 Unique 2.82, 3.58 A)
&rst
ixpk= 604, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 787, 788,
&end
#
# 90 ILE HG1+ 54 SER HN 3.50 (# 605:10 Unique 1.91, 2.72 A)
&rst
ixpk= 605, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1310,1311,
&end
#
# 0 AMB 10-2:606 54 SER HN 3.50 (# 606:10 Single Ambig)
&rst
ixpk= 606, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1313,1314,1315, 770, 771, 772,
&end
#
# 85 PHE HA 85 PHE HN 3.50 (# 607:10 Unique 2.94, 2.94 A)
&rst
ixpk= 607, nxpk= 10, iat=1239,1237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 PHE HB- 85 PHE HN 4.50 (# 608:10 Unique 2.33, 2.91 A)
&rst
ixpk= 608, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1241,1242,
&end
#
# 117 THR HN 85 PHE HN 3.50 (# 609:10 Unique 3.55, 3.58 A)
&rst
ixpk= 609, nxpk= 10, iat=1705,1237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 LYS HN 85 PHE HN 4.50 (# 610:10 Unique 2.78, 3.11 A)
&rst
ixpk= 610, nxpk= 10, iat=1666,1237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 ARG HA 85 PHE HN 2.80 (# 612:10 Unique 2.33, 2.43 A)
&rst
ixpk= 612, nxpk= 10, iat=1215,1237, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:613 85 PHE HN 3.50 (# 613:10 Single Ambig)
&rst
ixpk= 613, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1241,1242,1690,
&end
#
# 84 ARG HB+ 85 PHE HN 2.80 (# 614:10 Unique 2.35, 3.15 A)
&rst
ixpk= 614, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1217,1218,
&end
#
# 0 AMB 10-2:615 85 PHE HN 4.50 (# 615:10 Single Ambig)
&rst
ixpk= 615, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1217,1218,1220,1221,
&end
#
# 20 GLU HG+ 20 GLU HN 4.50 (# 617:10 Unique 3.84, 4.17 A)
&rst
ixpk= 617, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 269, 270,
&end
#
# 19 ALA MB 20 GLU HN 4.50 (# 618:10 Unique 2.01, 3.07 A)
&rst
ixpk= 618, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 256, 257, 258,
&end
#
# 0 AMB 10-2:619 75 GLU HN 7.00 (# 619:10 Single Ambig)
&rst
ixpk= 619, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1041,1031,
&end
#
# 0 AMB 10-2:620 75 GLU HN 4.50 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1062,1018,
&end
#
# 75 GLU HG- 75 GLU HN 4.50 (# 621:10 Unique 4.40, 4.47 A)
&rst
ixpk= 621, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1084,1085,
&end
#
# 0 AMB 10-2:622 0 AMB 10-1:622 2.80 (# 622:10 Double Ambig)
&rst
ixpk= 622, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 266, 267, 266, 267,1081,1082,1081,1082,
igr2= 262,1077,
&end
#
# 64 ASP HN 65 ASN HN 5.50 (# 623:10 Unique 1.82, 2.60 A)
&rst
ixpk= 623, nxpk= 10, iat= 905, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASN HB+ 65 ASN HN 4.50 (# 624:10 Unique 3.11, 3.36 A)
&rst
ixpk= 624, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 921, 922,
&end
#
# 64 ASP HB+ 65 ASN HN 4.50 (# 625:10 Unique 1.90, 2.96 A)
&rst
ixpk= 625, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 909, 910,
&end
#
# 78 PRO HA 79 ASP HN 2.80 (# 627:10 Unique 2.56, 2.61 A)
&rst
ixpk= 627, nxpk= 10, iat=1141,1145, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 ASP HB+ 79 ASP HN 2.80 (# 628:10 Unique 2.64, 2.76 A)
&rst
ixpk= 628, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1149,1150,
&end
#
# 79 ASP HB- 79 ASP HN 2.80 (# 629:10 Unique 2.64, 2.76 A)
&rst
ixpk= 629, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1149,1150,
&end
#
# 78 PRO HB+ 79 ASP HN 3.50 (# 630:10 Unique 2.06, 2.68 A)
&rst
ixpk= 630, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1138,1139,
&end
#
# 78 PRO HG+ 79 ASP HN 4.50 (# 631:10 Unique 3.95, 4.37 A)
&rst
ixpk= 631, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1135,1136,
&end
#
# 78 PRO HB- 79 ASP HN 3.50 (# 632:10 Unique 2.06, 2.68 A)
&rst
ixpk= 632, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1138,1139,
&end
#
# 46 ALA MB 79 ASP HN 5.50 (# 633:10 Unique 3.88, 4.49 A)
&rst
ixpk= 633, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 662, 663, 664,
&end
#
# 142 TRP HB+ 144 ASN HN 7.00 (# 634:10 Unique 5.14, 5.71 A)
&rst
ixpk= 634, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2087,2088,
&end
#
# 143 VAL HN 144 ASN HN 3.50 (# 636:10 Unique 2.73, 2.91 A)
&rst
ixpk= 636, nxpk= 10, iat=2107,2123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 145 LEU HN 144 ASN HN 2.80 (# 637:10 Unique 2.61, 2.64 A)
&rst
ixpk= 637, nxpk= 10, iat=2137,2123, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:638 144 ASN HN 4.50 (# 638:10 Single Ambig)
&rst
ixpk= 638, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2156,2175, 438, 436, 440,
&end
#
# 143 VAL HA 144 ASN HN 4.50 (# 639:10 Unique 3.57, 3.57 A)
&rst
ixpk= 639, nxpk= 10, iat=2109,2123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:640 144 ASN HN 2.80 (# 640:10 Single Ambig)
&rst
ixpk= 640, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2127,2128,2127,2128,
&end
#
# 0 AMB 10-2:641 144 ASN HN 4.50 (# 641:10 Single Ambig)
&rst
ixpk= 641, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2185,2186,2160,2161,
&end
#
# 144 ASN HA 144 ASN HN 2.80 (# 642:10 Unique 2.79, 2.81 A)
&rst
ixpk= 642, nxpk= 10, iat=2125,2123, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:643 144 ASN HN 3.50 (# 643:10 Single Ambig)
&rst
ixpk= 643, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 145 LEU MDX 144 ASN HN 4.50 (# 644:10 Unique 4.40, 6.42 A)
&rst
ixpk= 644, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2146,2147,2148,2150,2151,2152,
&end
#
# 25 LYS HN 24 GLU HN 3.50 (# 645:10 Unique 2.99, 3.02 A)
&rst
ixpk= 645, nxpk= 10, iat= 338, 323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 GLU HA 24 GLU HN 2.80 (# 646:10 Unique 2.77, 2.78 A)
&rst
ixpk= 646, nxpk= 10, iat= 325, 323, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 GLU HB- 24 GLU HN 2.80 (# 647:10 Unique 2.27, 2.53 A)
&rst
ixpk= 647, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 327, 328,
&end
#
# 23 ALA MB 24 GLU HN 2.80 (# 648:10 Unique 2.50, 3.35 A)
&rst
ixpk= 648, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 317, 318, 319,
&end
#
# 0 AMB 10-2:649 24 GLU HN 5.50 (# 649:10 Single Ambig)
&rst
ixpk= 649, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 369, 370, 371, 373, 374, 375, 85, 86, 87, 89,
90, 91, 85, 86, 87, 89, 90, 91,
&end
#
# 5 THR HN 4 ILE HN 5.50 (# 650:10 Unique 4.33, 4.41 A)
&rst
ixpk= 650, nxpk= 10, iat= 62, 43, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ASP HN 4 ILE HN 2.80 (# 651:10 Unique 1.93, 2.01 A)
&rst
ixpk= 651, nxpk= 10, iat= 31, 43, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 ILE HA 4 ILE HN 3.50 (# 652:10 Unique 2.95, 2.95 A)
&rst
ixpk= 652, nxpk= 10, iat= 45, 43, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ASP HA 4 ILE HN 4.50 (# 653:10 Unique 3.40, 3.42 A)
&rst
ixpk= 653, nxpk= 10, iat= 33, 43, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ASP HB- 4 ILE HN 3.50 (# 654:10 Unique 3.20, 3.52 A)
&rst
ixpk= 654, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 35, 36,
&end
#
# 4 ILE HB 4 ILE HN 3.50 (# 655:10 Unique 2.64, 2.65 A)
&rst
ixpk= 655, nxpk= 10, iat= 47, 43, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:656 4 ILE HN 4.50 (# 656:10 Single Ambig)
&rst
ixpk= 656, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 49, 50, 51, 85, 86, 87, 89, 90, 91,
&end
#
# 0 AMB 10-2:657 4 ILE HN 5.50 (# 657:10 Single Ambig)
&rst
ixpk= 657, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 56, 57, 58, 738, 739, 740, 742, 743, 744,
&end
#
# 33 THR HA 4 ILE HN 3.50 (# 659:10 Unique 2.40, 2.44 A)
&rst
ixpk= 659, nxpk= 10, iat= 462, 43, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ASP HB+ 4 ILE HN 4.50 (# 660:10 Unique 3.20, 3.52 A)
&rst
ixpk= 660, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 35, 36,
&end
#
# 0 AMB 10-2:661 4 ILE HN 2.80 (# 661:10 Single Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 25, 26, 27, 53, 54,
&end
#
# 55 SER HA 91 GLY HN 5.50 (# 664:10 Unique 3.04, 3.41 A)
&rst
ixpk= 664, nxpk= 10, iat= 796,1319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ILE HA 91 GLY HN 2.80 (# 665:10 Unique 2.15, 2.22 A)
&rst
ixpk= 665, nxpk= 10, iat=1302,1319, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 GLY HA+ 91 GLY HN 3.50 (# 666:10 Unique 2.30, 2.65 A)
&rst
ixpk= 666, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1321,1322,
&end
#
# 0 AMB 10-2:667 91 GLY HN 5.50 (# 667:10 Single Ambig)
&rst
ixpk= 667, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1310,1311,1268,1269,1270,
&end
#
# 90 ILE MG2 91 GLY HN 3.50 (# 668:10 Unique 1.95, 3.25 A)
&rst
ixpk= 668, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1306,1307,1308,
&end
#
# 75 GLU HN 76 GLN HN 2.80 (# 669:10 Unique 2.40, 2.41 A)
&rst
ixpk= 669, nxpk= 10, iat=1077,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 PRO HD+ 76 GLN HN 5.50 (# 670:10 Unique 4.20, 4.65 A)
&rst
ixpk= 670, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1132,1133,
&end
#
# 78 PRO HD- 76 GLN HN 5.50 (# 671:10 Unique 4.20, 4.65 A)
&rst
ixpk= 671, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1132,1133,
&end
#
# 0 AMB 10-2:672 76 GLN HN 2.80 (# 672:10 Single Ambig)
&rst
ixpk= 672, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1099,1100,1099,1100,
&end
#
# 75 GLU HG+ 76 GLN HN 5.50 (# 673:10 Unique 3.59, 4.05 A)
&rst
ixpk= 673, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1084,1085,
&end
#
# 0 AMB 10-2:674 76 GLN HN 2.80 (# 674:10 Single Ambig)
&rst
ixpk= 674, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1081,1082,1096,1097,
&end
#
# 0 AMB 10-2:675 76 GLN HN 2.80 (# 675:10 Single Ambig)
&rst
ixpk= 675, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1081,1082,1096,1097,
&end
#
# 55 SER HA 56 THR HN 3.50 (# 676:10 Unique 2.14, 2.14 A)
&rst
ixpk= 676, nxpk= 10, iat= 796, 805, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:677 56 THR HN 4.50 (# 677:10 Single Ambig)
&rst
ixpk= 677, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1321,1322, 809,
&end
#
# 92 SER HB- 56 THR HN 5.50 (# 678:10 Unique 4.36, 5.65 A)
&rst
ixpk= 678, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1330,1331,
&end
#
# 73 LEU MDX 74 GLN HN 7.00 (# 679:10 Unique 4.63, 5.43 A)
&rst
ixpk= 679, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 75 GLU HN 74 GLN HN 2.80 (# 680:10 Unique 2.54, 2.55 A)
&rst
ixpk= 680, nxpk= 10, iat=1077,1060, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:681 0 AMB 10-1:681 2.80 (# 681:10 Double Ambig)
&rst
ixpk= 681, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2065,1041,
igr2=2072,1060,
&end
#
# 0 AMB 10-2:682 0 AMB 10-1:682 5.50 (# 682:10 Double Ambig)
&rst
ixpk= 682, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2024,1033,
igr2=2072,1060,
&end
#
# 0 AMB 10-2:683 0 AMB 10-1:683 2.80 (# 683:10 Double Ambig)
&rst
ixpk= 683, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2076,2077,2067,2068,1062,
igr2=2072,1060,
&end
#
# 0 AMB 10-2:684 74 GLN HN 2.80 (# 684:10 Single Ambig)
&rst
ixpk= 684, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1067,1068,1064,1065,
&end
#
# 74 GLN HG+ 74 GLN HN 2.80 (# 685:10 Unique 2.19, 2.34 A)
&rst
ixpk= 685, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1067,1068,
&end
#
# 73 LEU HG 74 GLN HN 4.50 (# 686:10 Unique 4.50, 4.55 A)
&rst
ixpk= 686, nxpk= 10, iat=1048,1060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 LEU HB- 74 GLN HN 3.50 (# 687:10 Unique 2.35, 2.70 A)
&rst
ixpk= 687, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1045,1046,
&end
#
# 141 SER HA 141 SER HN 3.50 (# 688:10 Unique 2.75, 2.75 A)
&rst
ixpk= 688, nxpk= 10, iat=2074,2072, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 LYS HN 112 SER HN 5.50 (# 689:10 Unique 3.74, 3.80 A)
&rst
ixpk= 689, nxpk= 10, iat=1602,1638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ASN HN 112 SER HN 2.80 (# 690:10 Unique 2.54, 2.59 A)
&rst
ixpk= 690, nxpk= 10, iat=1624,1638, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 113 GLY HN 112 SER HN 2.80 (# 691:10 Unique 2.61, 2.61 A)
&rst
ixpk= 691, nxpk= 10, iat=1649,1638, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 112 SER HA 112 SER HN 2.80 (# 692:10 Unique 2.81, 2.81 A)
&rst
ixpk= 692, nxpk= 10, iat=1640,1638, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 112 SER HB- 112 SER HN 2.80 (# 693:10 Unique 2.32, 2.99 A)
&rst
ixpk= 693, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1642,1643,
&end
#
# 109 LEU HA 112 SER HN 4.50 (# 694:10 Unique 3.78, 3.85 A)
&rst
ixpk= 694, nxpk= 10, iat=1585,1638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 GLY HA- 112 SER HN 5.50 (# 695:10 Unique 5.03, 5.15 A)
&rst
ixpk= 695, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1651,1652,
&end
#
# 0 AMB 10-2:696 112 SER HN 3.50 (# 696:10 Single Ambig)
&rst
ixpk= 696, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1628,1629,1628,1629,
&end
#
# 0 AMB 10-2:697 112 SER HN 4.50 (# 697:10 Single Ambig)
&rst
ixpk= 697, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1606,1607,1606,1607,1572,1573,
&end
#
# 80 LEU MDY 112 SER HN 4.50 (# 698:10 Unique 4.69, 6.91 A)
&rst
ixpk= 698, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 43 ASP HN 42 GLU HN 3.50 (# 699:10 Unique 3.11, 3.18 A)
&rst
ixpk= 699, nxpk= 10, iat= 613, 598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:700 42 GLU HN 4.50 (# 700:10 Single Ambig)
&rst
ixpk= 700, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 615, 562,
&end
#
# 42 GLU HA 42 GLU HN 3.50 (# 701:10 Unique 2.75, 2.75 A)
&rst
ixpk= 701, nxpk= 10, iat= 600, 598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 LEU HA 42 GLU HN 5.50 (# 702:10 Unique 3.22, 3.24 A)
&rst
ixpk= 702, nxpk= 10, iat= 581, 598, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:703 42 GLU HN 2.80 (# 703:10 Single Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 605, 606, 605, 606,
&end
#
# 42 GLU HB+ 42 GLU HN 4.50 (# 704:10 Unique 3.73, 3.90 A)
&rst
ixpk= 704, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 602, 603,
&end
#
# 0 AMB 10-2:705 42 GLU HN 4.50 (# 705:10 Single Ambig)
&rst
ixpk= 705, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 583, 584, 567,
&end
#
# 40 LEU HB- 42 GLU HN 4.50 (# 706:10 Unique 2.96, 3.16 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 565,
&end
#
# 0 AMB 10-2:707 42 GLU HN 3.50 (# 707:10 Single Ambig)
&rst
ixpk= 707, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 564, 565, 583, 584,
&end
#
# 40 LEU MDX 42 GLU HN 4.50 (# 708:10 Unique 4.88, 5.92 A)
&rst
ixpk= 708, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 569, 570, 571, 573, 574, 575,
&end
#
# 91 GLY HA- 92 SER HN 5.50 (# 709:10 Unique 2.39, 3.03 A)
&rst
ixpk= 709, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1321,1322,
&end
#
# 91 GLY HA+ 92 SER HN 5.50 (# 710:10 Unique 2.39, 3.03 A)
&rst
ixpk= 710, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1321,1322,
&end
#
# 76 GLN HN 77 LYS HN 2.80 (# 711:10 Unique 2.30, 2.31 A)
&rst
ixpk= 711, nxpk= 10, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 GLU HN 77 LYS HN 5.50 (# 712:10 Unique 3.70, 3.74 A)
&rst
ixpk= 712, nxpk= 10, iat=1077,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LYS HA 77 LYS HN 2.80 (# 713:10 Unique 2.29, 2.30 A)
&rst
ixpk= 713, nxpk= 10, iat=1111,1109, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 PRO HD+ 77 LYS HN 3.50 (# 714:10 Unique 2.65, 2.87 A)
&rst
ixpk= 714, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1132,1133,
&end
#
# 73 LEU HA 77 LYS HN 5.50 (# 715:10 Unique 3.24, 3.37 A)
&rst
ixpk= 715, nxpk= 10, iat=1043,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 PRO HD- 77 LYS HN 3.50 (# 716:10 Unique 2.65, 2.87 A)
&rst
ixpk= 716, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1132,1133,
&end
#
# 0 AMB 10-2:717 77 LYS HN 4.50 (# 717:10 Single Ambig)
&rst
ixpk= 717, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1096,1097,1135,1136,
&end
#
# 77 LYS HB+ 77 LYS HN 3.50 (# 718:10 Unique 3.19, 3.60 A)
&rst
ixpk= 718, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1113,1114,
&end
#
# 77 LYS HG- 77 LYS HN 3.50 (# 719:10 Unique 3.03, 3.23 A)
&rst
ixpk= 719, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1116,1117,
&end
#
# 83 VAL HN 81 SER HN 5.50 (# 720:10 Unique 3.88, 4.00 A)
&rst
ixpk= 720, nxpk= 10, iat=1197,1176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 SER HA 81 SER HN 2.80 (# 722:10 Unique 2.85, 2.88 A)
&rst
ixpk= 722, nxpk= 10, iat=1178,1176, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 LEU HB- 81 SER HN 4.50 (# 723:10 Unique 4.04, 4.32 A)
&rst
ixpk= 723, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1161,1162,
&end
#
# 0 AMB 10-2:724 81 SER HN 2.80 (# 724:10 Single Ambig)
&rst
ixpk= 724, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1187,1157,
&end
#
# 80 LEU HA 81 SER HN 3.50 (# 725:10 Unique 2.53, 2.74 A)
&rst
ixpk= 725, nxpk= 10, iat=1159,1176, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:726 81 SER HN 2.80 (# 726:10 Single Ambig)
&rst
ixpk= 726, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1180,1181,1180,1181,
&end
#
# 58 GLY HA- 58 GLY HN 4.50 (# 728:10 Unique 2.31, 2.70 A)
&rst
ixpk= 728, nxpk= 10, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 838, 839,
&end
#
# 37 HIS HA 38 GLY HN 2.80 (# 730:10 Unique 2.78, 2.90 A)
&rst
ixpk= 730, nxpk= 10, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 GLY HA+ 38 GLY HN 3.50 (# 731:10 Unique 2.30, 2.60 A)
&rst
ixpk= 731, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 541, 542,
&end
#
# 38 GLY HA- 38 GLY HN 3.50 (# 732:10 Unique 2.30, 2.60 A)
&rst
ixpk= 732, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 541, 542,
&end
#
# 141 SER HA 144 ASN HD2+ 5.50 (# 735:10 Unique 2.20, 2.95 A)
&rst
ixpk= 735, nxpk= 10, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2132,2133,
&end
#
# 0 AMB 10-2:736 0 AMB 10-1:736 2.80 (# 736:10 Double Ambig)
&rst
ixpk= 736, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2127,2128,2127,2128,
igr2=2132,2133,2132,2133,
&end
#
# 143 VAL MGX 144 ASN HD2+ 5.50 (# 737:10 Unique 4.63, 6.65 A)
&rst
ixpk= 737, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2113,2114,2115,2117,2118,2119,
igr2=2132,2133,
&end
#
# 0 AMB 10-2:739 144 ASN HD2- 3.50 (# 739:10 Single Ambig)
&rst
ixpk= 739, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2127,2128,2127,2128,
igr2=2132,2133,
&end
#
# 121 LEU HN 89 GLY HN 4.50 (# 740:10 Unique 2.82, 3.26 A)
&rst
ixpk= 740, nxpk= 10, iat=1755,1293, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 GLY HA+ 89 GLY HN 3.50 (# 741:10 Unique 2.30, 2.58 A)
&rst
ixpk= 741, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1295,1296,
&end
#
# 88 ILE HA 89 GLY HN 2.80 (# 742:10 Unique 2.14, 2.17 A)
&rst
ixpk= 742, nxpk= 10, iat=1276,1293, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 ILE MG2 89 GLY HN 3.50 (# 744:10 Unique 2.55, 3.95 A)
&rst
ixpk= 744, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1280,1281,1282,
&end
#
# 4 ILE HN 32 THR HN 7.00 (# 745:10 Unique 4.33, 4.37 A)
&rst
ixpk= 745, nxpk= 10, iat= 43, 446, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 131 PRO HG+ 124 ASN HD2- 3.50 (# 748:10 Unique 1.93, 3.05 A)
&rst
ixpk= 748, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1931,1932,
igr2=1824,1825,
&end
#
# 3 ASP HN 32 THR HN 4.50 (# 749:10 Unique 3.18, 3.39 A)
&rst
ixpk= 749, nxpk= 10, iat= 31, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 THR HN 32 THR HN 5.50 (# 750:10 Unique 4.53, 4.54 A)
&rst
ixpk= 750, nxpk= 10, iat= 460, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 PHE HN 32 THR HN 5.50 (# 751:10 Unique 4.45, 4.45 A)
&rst
ixpk= 751, nxpk= 10, iat= 426, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 PHE HA 32 THR HN 2.80 (# 753:10 Unique 2.53, 2.53 A)
&rst
ixpk= 753, nxpk= 10, iat= 428, 446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 THR HA 32 THR HN 3.50 (# 754:10 Unique 2.93, 2.94 A)
&rst
ixpk= 754, nxpk= 10, iat= 448, 446, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:755 32 THR HN 4.50 (# 755:10 Single Ambig)
&rst
ixpk= 755, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 450, 33,
&end
#
# 3 ASP HB+ 32 THR HN 2.80 (# 756:10 Unique 2.75, 2.92 A)
&rst
ixpk= 756, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 35, 36,
&end
#
# 0 AMB 10-2:757 32 THR HN 2.80 (# 757:10 Single Ambig)
&rst
ixpk= 757, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 430, 431, 35, 36,
&end
#
# 31 PHE HB- 32 THR HN 4.50 (# 758:10 Unique 2.26, 2.70 A)
&rst
ixpk= 758, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 430, 431,
&end
#
# 32 THR MG2 32 THR HN 3.50 (# 759:10 Unique 3.07, 3.81 A)
&rst
ixpk= 759, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 452, 453, 454,
&end
#
# 108 GLU HA 111 ASN HD2- 3.50 (# 761:10 Unique 1.94, 2.73 A)
&rst
ixpk= 761, nxpk= 10, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1633,1634,
&end
#
# 111 ASN HB- 111 ASN HD2- 3.50 (# 762:10 Unique 2.19, 3.29 A)
&rst
ixpk= 762, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1628,1629,
igr2=1633,1634,
&end
#
# 0 AMB 10-2:764 0 AMB 10-1:764 3.50 (# 764:10 Double Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1628,1629,1628,1629,
igr2=1633,1634,1633,1634,
&end
#
# 0 AMB 10-2:765 0 AMB 10-1:765 7.00 (# 765:10 Double Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1572,1573,1575,1576,
igr2=1633,1634,1633,1634,
&end
#
# 107 ALA MB 111 ASN HD2+ 5.50 (# 766:10 Unique 5.50, 7.12 A)
&rst
ixpk= 766, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1562,1563,1564,
igr2=1633,1634,
&end
#
# 0 AMB 10-2:767 0 AMB 10-1:767 3.50 (# 767:10 Double Ambig)
&rst
ixpk= 767, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1099,1100,1099,1100,
igr2=1104,1105,1104,1105,
&end
#
# 0 AMB 10-2:768 0 AMB 10-1:768 5.50 (# 768:10 Double Ambig)
&rst
ixpk= 768, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 605, 606,1084,1085,
igr2=1104,1105,1104,1105,
&end
#
# 41 LEU HB+ 76 GLN HE2+ 5.50 (# 769:10 Unique 3.09, 3.66 A)
&rst
ixpk= 769, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 583, 584,
igr2=1104,1105,
&end
#
# 72 ALA MB 76 GLN HE2+ 3.50 (# 770:10 Unique 1.94, 3.18 A)
&rst
ixpk= 770, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1035,1036,1037,
igr2=1104,1105,
&end
#
# 41 LEU MDX 76 GLN HE2+ 4.50 (# 771:10 Unique 2.12, 3.85 A)
&rst
ixpk= 771, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 588, 589, 590, 592, 593, 594,
igr2=1104,1105,
&end
#
# 0 AMB 10-2:772 143 VAL HN 4.50 (# 772:10 Single Ambig)
&rst
ixpk= 772, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2102,2100,
&end
#
# 144 ASN HN 143 VAL HN 3.50 (# 773:10 Unique 2.73, 2.91 A)
&rst
ixpk= 773, nxpk= 10, iat=2123,2107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 142 TRP HA 143 VAL HN 5.50 (# 774:10 Unique 3.54, 3.56 A)
&rst
ixpk= 774, nxpk= 10, iat=2085,2107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 VAL HA 143 VAL HN 3.50 (# 775:10 Unique 2.75, 2.78 A)
&rst
ixpk= 775, nxpk= 10, iat=2109,2107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 142 TRP HB+ 143 VAL HN 4.50 (# 776:10 Unique 2.37, 3.18 A)
&rst
ixpk= 776, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2087,2088,
&end
#
# 143 VAL HB 143 VAL HN 2.80 (# 777:10 Unique 2.30, 2.36 A)
&rst
ixpk= 777, nxpk= 10, iat=2111,2107, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:778 143 VAL HN 5.50 (# 778:10 Single Ambig)
&rst
ixpk= 778, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2050,2051,2053,
&end
#
# 142 TRP HB- 143 VAL HN 3.50 (# 779:10 Unique 2.37, 3.18 A)
&rst
ixpk= 779, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2087,2088,
&end
#
# 0 AMB 10-2:780 143 VAL HN 2.80 (# 780:10 Single Ambig)
&rst
ixpk= 780, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 0 AMB 10-2:781 143 VAL HN 5.50 (# 781:10 Single Ambig)
&rst
ixpk= 781, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=2146,2147,2148,2150,2151,2152,1764,1765,1766,1768,
1769,1770, 369, 370, 371, 373, 374, 375,1711,1712,
1713,
&end
#
# 97 THR HA 97 THR HN 5.50 (# 782:10 Unique 2.29, 2.83 A)
&rst
ixpk= 782, nxpk= 10, iat=1411,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 THR MG2 97 THR HN 5.50 (# 783:10 Unique 2.06, 3.44 A)
&rst
ixpk= 783, nxpk= 10, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1415,1416,1417,
&end
#
# 0 AMB 10-2:785 0 AMB 10-1:785 4.50 (# 785:10 Double Ambig)
&rst
ixpk= 785, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1067,1068,1064,1065,
igr2=1072,1073,1072,1073,
&end
#
# 0 AMB 10-2:787 74 GLN HE2- 4.50 (# 787:10 Single Ambig)
&rst
ixpk= 787, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1067,1068,1064,1065,
igr2=1072,1073,
&end
#
# 0 AMB 10-2:788 74 GLN HE2- 3.50 (# 788:10 Single Ambig)
&rst
ixpk= 788, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1067,1068,1064,1065,
igr2=1072,1073,
&end
#
# 12 LEU HA 13 GLY HN 4.50 (# 789:10 Unique 2.28, 2.59 A)
&rst
ixpk= 789, nxpk= 10, iat= 159, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 THR HA 33 THR HN 2.80 (# 791:10 Unique 2.24, 2.25 A)
&rst
ixpk= 791, nxpk= 10, iat= 448, 460, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 THR HB 33 THR HN 2.80 (# 792:10 Unique 2.81, 2.83 A)
&rst
ixpk= 792, nxpk= 10, iat= 450, 460, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:793 33 THR HN 4.50 (# 793:10 Single Ambig)
&rst
ixpk= 793, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 386, 387, 386, 387,
&end
#
# 32 THR MG2 33 THR HN 3.50 (# 794:10 Unique 3.72, 4.43 A)
&rst
ixpk= 794, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 452, 453, 454,
&end
#
# 33 THR MG2 33 THR HN 2.80 (# 795:10 Unique 3.01, 3.54 A)
&rst
ixpk= 795, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 466, 467, 468,
&end
#
# 33 THR HA 33 THR HN 3.50 (# 796:10 Unique 2.93, 2.93 A)
&rst
ixpk= 796, nxpk= 10, iat= 462, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 TRP HE1 47 SER HN 4.50 (# 797:10 Unique 2.97, 3.18 A)
&rst
ixpk= 797, nxpk= 10, iat= 715, 668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 ALA HN 47 SER HN 3.50 (# 798:10 Unique 3.33, 3.35 A)
&rst
ixpk= 798, nxpk= 10, iat= 658, 668, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 ALA HA 47 SER HN 2.80 (# 799:10 Unique 2.67, 2.69 A)
&rst
ixpk= 799, nxpk= 10, iat= 660, 668, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 SER HA 47 SER HN 2.80 (# 800:10 Unique 2.87, 2.88 A)
&rst
ixpk= 800, nxpk= 10, iat= 670, 668, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:801 47 SER HN 3.50 (# 801:10 Single Ambig)
&rst
ixpk= 801, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 672, 673, 672, 673,
&end
#
# 45 PRO HB- 47 SER HN 5.50 (# 802:10 Unique 3.51, 4.24 A)
&rst
ixpk= 802, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 651, 652,
&end
#
# 0 AMB 10-2:803 47 SER HN 4.50 (# 803:10 Single Ambig)
&rst
ixpk= 803, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 662, 663, 664,1164,
&end
#
# 83 VAL MGX 47 SER HN 3.50 (# 804:10 Unique 3.34, 4.49 A)
&rst
ixpk= 804, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 10-2:807 116 GLN HE2- 3.50 (# 807:10 Single Ambig)
&rst
ixpk= 807, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1344,1345,1695,1696,
igr2=1700,1701,
&end
#
# 116 GLN HG- 116 GLN HE2- 4.50 (# 808:10 Unique 2.25, 3.09 A)
&rst
ixpk= 808, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1695,1696,
igr2=1700,1701,
&end
#
# 119 GLU HA 116 GLN HE2+ 4.50 (# 811:10 Unique 3.41, 4.15 A)
&rst
ixpk= 811, nxpk= 10, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1700,1701,
&end
#
# 120 THR HA 116 GLN HE2+ 5.50 (# 812:10 Unique 2.18, 3.13 A)
&rst
ixpk= 812, nxpk= 10, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1700,1701,
&end
#
# 87 ALA MB 116 GLN HE2+ 3.50 (# 813:10 Unique 1.95, 3.34 A)
&rst
ixpk= 813, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1268,1269,1270,
igr2=1700,1701,
&end
#
# 65 ASN HB+ 65 ASN HD2+ 3.50 (# 815:10 Unique 2.43, 3.49 A)
&rst
ixpk= 815, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 921, 922,
igr2= 926, 927,
&end
#
# 50 TRP HN 86 GLY HN 5.50 (# 816:10 Unique 4.19, 4.41 A)
&rst
ixpk= 816, nxpk= 10, iat= 705,1257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 PHE HA 86 GLY HN 2.80 (# 817:10 Unique 2.19, 2.27 A)
&rst
ixpk= 817, nxpk= 10, iat=1239,1257, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 LEU HA 86 GLY HN 3.50 (# 819:10 Unique 2.87, 3.10 A)
&rst
ixpk= 819, nxpk= 10, iat= 731,1257, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:820 86 GLY HN 2.80 (# 820:10 Single Ambig)
&rst
ixpk= 820, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1259,1260,1241,1242,
&end
#
# 85 PHE HB- 86 GLY HN 4.50 (# 821:10 Unique 2.93, 3.78 A)
&rst
ixpk= 821, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1241,1242,
&end
#
# 0 AMB 10-2:822 86 GLY HN 5.50 (# 822:10 Single Ambig)
&rst
ixpk= 822, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 692, 693, 694, 49, 50, 51,
&end
#
# 51 LEU MDY 86 GLY HN 4.50 (# 823:10 Unique 3.69, 5.88 A)
&rst
ixpk= 823, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 10-2:824 113 GLY HN 4.50 (# 824:10 Single Ambig)
&rst
ixpk= 824, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1624,1157,
&end
#
# 0 AMB 10-2:825 113 GLY HN 2.80 (# 825:10 Single Ambig)
&rst
ixpk= 825, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1656,1638,
&end
#
# 0 AMB 10-2:826 113 GLY HN 3.50 (# 826:10 Single Ambig)
&rst
ixpk= 826, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1640,1658,
&end
#
# 0 AMB 10-2:827 113 GLY HN 3.50 (# 827:10 Single Ambig)
&rst
ixpk= 827, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1626,1604,
&end
#
# 112 SER HB+ 113 GLY HN 5.50 (# 828:10 Unique 3.90, 4.03 A)
&rst
ixpk= 828, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1642,1643,
&end
#
# 113 GLY HA+ 113 GLY HN 2.80 (# 829:10 Unique 2.57, 2.77 A)
&rst
ixpk= 829, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1651,1652,
&end
#
# 114 ALA MB 113 GLY HN 4.50 (# 830:10 Unique 4.21, 5.03 A)
&rst
ixpk= 830, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1660,1661,1662,
&end
#
# 47 SER HN 48 GLY HN 5.50 (# 831:10 Unique 3.91, 3.99 A)
&rst
ixpk= 831, nxpk= 10, iat= 668, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLY HA+ 48 GLY HN 2.80 (# 832:10 Unique 2.53, 2.75 A)
&rst
ixpk= 832, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 681, 682,
&end
#
# 0 AMB 10-2:833 48 GLY HN 2.80 (# 833:10 Single Ambig)
&rst
ixpk= 833, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1199, 670,
&end
#
# 48 GLY HA- 48 GLY HN 2.80 (# 834:10 Unique 2.53, 2.75 A)
&rst
ixpk= 834, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 681, 682,
&end
#
# 83 VAL HB 48 GLY HN 4.50 (# 835:10 Unique 2.22, 2.44 A)
&rst
ixpk= 835, nxpk= 10, iat=1201, 679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 ALA MB 48 GLY HN 4.50 (# 836:10 Unique 3.69, 5.23 A)
&rst
ixpk= 836, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1191,1192,1193,
&end
#
# 0 AMB 10-2:837 48 GLY HN 5.50 (# 837:10 Single Ambig)
&rst
ixpk= 837, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 699, 700, 701, 696, 697,1166,1167,1168,1170,1171,
1172,
&end
#
# 83 VAL MGX 48 GLY HN 4.50 (# 838:10 Unique 2.98, 4.28 A)
&rst
ixpk= 838, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 99 CYS HA 100 GLY HN 3.50 (# 843:10 Unique 2.15, 2.36 A)
&rst
ixpk= 843, nxpk= 10, iat=1445,1454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 GLY HA- 100 GLY HN 3.50 (# 844:10 Unique 2.29, 2.66 A)
&rst
ixpk= 844, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1456,1457,
&end
#
# 100 GLY HA+ 100 GLY HN 3.50 (# 845:10 Unique 2.29, 2.66 A)
&rst
ixpk= 845, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1456,1457,
&end
#
# 60 GLY HA+ 60 GLY HN 4.50 (# 847:10 Unique 2.29, 2.56 A)
&rst
ixpk= 847, nxpk= 10, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 855, 856,
&end
#
# 60 GLY HA- 60 GLY HN 4.50 (# 848:10 Unique 2.29, 2.56 A)
&rst
ixpk= 848, nxpk= 10, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 855, 856,
&end
#
# 29 ALA HN 30 GLY HN 2.80 (# 849:10 Unique 2.60, 2.64 A)
&rst
ixpk= 849, nxpk= 10, iat= 409, 419, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:850 30 GLY HN 4.50 (# 850:10 Single Ambig)
&rst
ixpk= 850, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 381, 428,
&end
#
# 29 ALA HA 30 GLY HN 3.50 (# 851:10 Unique 3.48, 3.48 A)
&rst
ixpk= 851, nxpk= 10, iat= 411, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:852 30 GLY HN 2.80 (# 852:10 Single Ambig)
&rst
ixpk= 852, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 421, 422, 396,
&end
#
# 30 GLY HA- 30 GLY HN 2.80 (# 853:10 Unique 2.59, 2.77 A)
&rst
ixpk= 853, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 421, 422,
&end
#
# 29 ALA MB 30 GLY HN 3.50 (# 854:10 Unique 2.92, 3.65 A)
&rst
ixpk= 854, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 413, 414, 415,
&end
#
# 139 LEU HN 140 GLY HN 3.50 (# 856:10 Unique 2.88, 2.90 A)
&rst
ixpk= 856, nxpk= 10, iat=2046,2065, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 SER HN 140 GLY HN 3.50 (# 857:10 Unique 2.92, 2.96 A)
&rst
ixpk= 857, nxpk= 10, iat=2072,2065, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 140 GLY HA+ 140 GLY HN 2.80 (# 858:10 Unique 2.29, 2.56 A)
&rst
ixpk= 858, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2067,2068,
&end
#
# 140 GLY HA- 140 GLY HN 2.80 (# 859:10 Unique 2.29, 2.56 A)
&rst
ixpk= 859, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2067,2068,
&end
#
# 139 LEU HB+ 140 GLY HN 4.50 (# 860:10 Unique 2.58, 2.90 A)
&rst
ixpk= 860, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2050,2051,
&end
#
# 139 LEU HB- 140 GLY HN 3.50 (# 861:10 Unique 2.58, 2.90 A)
&rst
ixpk= 861, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2050,2051,
&end
#
# 0 AMB 10-2:862 121 LEU HN 4.50 (# 862:10 Single Ambig)
&rst
ixpk= 862, nxpk= 10, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1268,1269,1270,1310,1311,
&end
#
# 88 ILE HA 121 LEU HN 4.50 (# 863:10 Unique 2.13, 2.63 A)
&rst
ixpk= 863, nxpk= 10, iat=1276,1755, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 THR HN 121 LEU HN 5.50 (# 864:10 Unique 4.27, 4.51 A)
&rst
ixpk= 864, nxpk= 10, iat=1741,1755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLY HN 121 LEU HN 5.50 (# 865:10 Unique 2.82, 3.26 A)
&rst
ixpk= 865, nxpk= 10, iat=1293,1755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 LEU HB- 121 LEU HN 3.50 (# 866:10 Unique 2.05, 2.62 A)
&rst
ixpk= 866, nxpk= 10, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1759,1760,
&end
#
# 0 AMB 10-2:867 121 LEU HN 4.50 (# 867:10 Single Ambig)
&rst
ixpk= 867, nxpk= 10, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1762,1280,1281,1282,
&end
#
# 7 ILE HN 6 LEU HN 5.50 (# 868:10 Unique 4.24, 4.28 A)
&rst
ixpk= 868, nxpk= 10, iat= 95, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LEU HN 6 LEU HN 5.50 (# 869:10 Unique 5.08, 5.11 A)
&rst
ixpk= 869, nxpk= 10, iat= 729, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 THR HA 6 LEU HN 4.50 (# 870:10 Unique 4.09, 4.19 A)
&rst
ixpk= 870, nxpk= 10, iat= 491, 76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:871 6 LEU HN 5.50 (# 871:10 Single Ambig)
&rst
ixpk= 871, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 83, 317, 318, 319,
&end
#
# 36 LEU MDY 6 LEU HN 3.50 (# 872:10 Unique 2.24, 3.85 A)
&rst
ixpk= 872, nxpk= 10, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 84 ARG HN 50 TRP HN 5.50 (# 873:10 Unique 3.55, 3.84 A)
&rst
ixpk= 873, nxpk= 10, iat=1213, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 TRP HA 50 TRP HN 4.50 (# 874:10 Unique 2.91, 2.93 A)
&rst
ixpk= 874, nxpk= 10, iat= 707, 705, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 THR MG2 36 LEU HN 2.80 (# 875:10 Unique 2.33, 3.40 A)
&rst
ixpk= 875, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 495, 496, 497,
&end
#
# 8 SER HN 36 LEU HN 5.50 (# 876:10 Unique 3.93, 4.03 A)
&rst
ixpk= 876, nxpk= 10, iat= 114, 503, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU HN 36 LEU HN 4.50 (# 877:10 Unique 4.32, 4.38 A)
&rst
ixpk= 877, nxpk= 10, iat= 76, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ILE MG2 36 LEU HN 7.00 (# 878:10 Unique 6.49, 7.32 A)
&rst
ixpk= 878, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 101, 102, 103,
&end
#
# 0 AMB 10-2:879 36 LEU HN 7.00 (# 879:10 Single Ambig)
&rst
ixpk= 879, nxpk= 10, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 493, 254,
&end
#
# 113 GLY HA+ 80 LEU HN 5.50 (# 881:10 Unique 2.33, 3.20 A)
&rst
ixpk= 881, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1651,1652,
&end
#
# 79 ASP HB+ 80 LEU HN 5.50 (# 882:10 Unique 4.28, 4.44 A)
&rst
ixpk= 882, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1149,1150,
&end
#
# 80 LEU HB+ 80 LEU HN 3.50 (# 883:10 Unique 2.47, 3.09 A)
&rst
ixpk= 883, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1161,1162,
&end
#
# 49 ILE HA 84 ARG HN 3.50 (# 885:10 Unique 2.78, 3.15 A)
&rst
ixpk= 885, nxpk= 10, iat= 688,1213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 ILE MG2 84 ARG HN 5.50 (# 886:10 Unique 4.23, 5.36 A)
&rst
ixpk= 886, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 692, 693, 694,
&end
#
# 51 LEU HB- 52 VAL HN 5.50 (# 887:10 Unique 3.26, 3.85 A)
&rst
ixpk= 887, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 53 ILE HN 52 VAL HN 5.50 (# 888:10 Unique 4.39, 4.45 A)
&rst
ixpk= 888, nxpk= 10, iat= 764, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:889 116 GLN HN 4.50 (# 889:10 Single Ambig)
&rst
ixpk= 889, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1695,1696,1673,1674,
&end
#
# 110 LYS HB- 116 GLN HN 5.50 (# 890:10 Unique 3.51, 4.51 A)
&rst
ixpk= 890, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1606,1607,
&end
#
# 116 GLN HE2- 116 GLN HN 7.00 (# 891:10 Unique 6.30, 6.64 A)
&rst
ixpk= 891, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1700,1701,
&end
#
# 117 THR HN 116 GLN HN 4.50 (# 892:10 Unique 4.42, 4.47 A)
&rst
ixpk= 892, nxpk= 10, iat=1705,1688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 LEU HN 138 TRP HE1 5.50 (# 896:10 Unique 4.45, 4.86 A)
&rst
ixpk= 896, nxpk= 10, iat=1755,2032, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 GLU HN 138 TRP HE1 4.50 (# 897:10 Unique 2.72, 4.11 A)
&rst
ixpk= 897, nxpk= 10, iat=1726,2032, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:898 138 TRP HE1 4.50 (# 898:10 Single Ambig)
&rst
ixpk= 898, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1757,1721,1722,
&end
#
# 119 GLU HB- 138 TRP HE1 5.50 (# 899:10 Unique 2.00, 3.55 A)
&rst
ixpk= 899, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1730,1731,
&end
#
# 119 GLU HG+ 138 TRP HE1 7.00 (# 900:10 Unique 2.08, 2.59 A)
&rst
ixpk= 900, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1733,1734,
&end
#
# 8 SER HA 53 ILE HN 5.50 (# 901:10 Unique 3.24, 3.45 A)
&rst
ixpk= 901, nxpk= 10, iat= 116, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 VAL MGY 53 ILE HN 3.50 (# 902:10 Unique 2.05, 3.93 A)
&rst
ixpk= 902, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 10-2:903 53 ILE HN 3.50 (# 903:10 Single Ambig)
&rst
ixpk= 903, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 777, 778, 779, 774, 775,
&end
#
# 0 AMB 10-2:904 53 ILE HN 5.50 (# 904:10 Single Ambig)
&rst
ixpk= 904, nxpk= 10, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 101, 102, 103,1287,1288,1289,
&end
#
# 0 AMB 10-2:905 142 TRP HN 5.50 (# 905:10 Single Ambig)
&rst
ixpk= 905, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=2102,2041,2030,2039,2156,2035,2037,
&end
#
# 0 AMB 10-2:906 142 TRP HN 5.50 (# 906:10 Single Ambig)
&rst
ixpk= 906, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1764,1765,1766,1768,1769,1770,2113,2114,2115,2117,
2118,2119,2113,2114,2115,2117,2118,2119,2055,2056,
2057,2059,2060,2061,
&end
#
# 0 AMB 10-2:907 142 TRP HN 5.50 (# 907:10 Single Ambig)
&rst
ixpk= 907, nxpk= 10, iat= -1,2083, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2146,2147,2148,2150,2151,2152,1764,1765,1766,1768,
1769,1770,
&end
#
# 58 GLY HA+ 59 ALA HN 2.80 (# 908:10 Unique 2.28, 3.04 A)
&rst
ixpk= 908, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 838, 839,
&end
#
# 59 ALA HA 59 ALA HN 4.50 (# 909:10 Unique 2.28, 2.81 A)
&rst
ixpk= 909, nxpk= 10, iat= 845, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 GLY HN 59 ALA HN 5.50 (# 910:10 Unique 1.89, 2.30 A)
&rst
ixpk= 910, nxpk= 10, iat= 853, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:911 117 THR HN 3.50 (# 911:10 Single Ambig)
&rst
ixpk= 911, nxpk= 10, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1237,1688,
&end
#
# 121 LEU HG 122 LYS HN 5.50 (# 912:10 Unique 2.45, 3.31 A)
&rst
ixpk= 912, nxpk= 10, iat=1762,1774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 LEU MDY 122 LYS HN 3.50 (# 913:10 Unique 2.83, 5.00 A)
&rst
ixpk= 913, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 122 LYS HG+ 122 LYS HN 4.50 (# 914:10 Unique 1.94, 2.95 A)
&rst
ixpk= 914, nxpk= 10, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1781,1782,
&end
#
# 89 GLY HN 122 LYS HN 5.50 (# 915:10 Unique 3.76, 4.00 A)
&rst
ixpk= 915, nxpk= 10, iat=1293,1774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:916 84 ARG HE 5.50 (# 916:10 Single Ambig)
&rst
ixpk= 916, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2165,2166,2167,2169,2170,2171,1203,1204,1205,1207,
1208,1209,
&end
#
# 0 AMB 10-2:917 84 ARG HE 7.00 (# 917:10 Single Ambig)
&rst
ixpk= 917, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1721,1722,1199,
&end
#
# 0 AMB 10-2:920 5 THR HN 5.50 (# 920:10 Single Ambig)
&rst
ixpk= 920, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 738, 739, 740, 742, 743, 744, 56, 57, 58, 105,
106,
&end
#
# 0 AMB 10-2:921 5 THR HN 5.50 (# 921:10 Single Ambig)
&rst
ixpk= 921, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 629, 630, 53, 54,
&end
#
# 5 THR MG2 5 THR HN 3.50 (# 922:10 Unique 1.95, 2.93 A)
&rst
ixpk= 922, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 68, 69, 70,
&end
#
# 0 AMB 10-2:923 5 THR HN 5.50 (# 923:10 Single Ambig)
&rst
ixpk= 923, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 47, 696, 697,
&end
#
# 49 ILE HB 5 THR HN 5.50 (# 924:10 Unique 4.01, 4.16 A)
&rst
ixpk= 924, nxpk= 10, iat= 690, 62, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 TRP HD1 5 THR HN 4.50 (# 925:10 Unique 4.00, 4.11 A)
&rst
ixpk= 925, nxpk= 10, iat= 713, 62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 ILE HN 5 THR HN 5.50 (# 926:10 Unique 4.33, 4.41 A)
&rst
ixpk= 926, nxpk= 10, iat= 43, 62, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LEU HN 5 THR HN 5.50 (# 927:10 Unique 3.55, 3.63 A)
&rst
ixpk= 927, nxpk= 10, iat= 729, 62, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:928 5 THR HN 5.50 (# 928:10 Single Ambig)
&rst
ixpk= 928, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 76,1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 10-2:929 51 LEU HN 5.50 (# 929:10 Single Ambig)
&rst
ixpk= 929, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 105, 106, 754, 755, 756, 758, 759, 760,
&end
#
# 51 LEU MDX 51 LEU HN 7.00 (# 930:10 Unique 3.73, 4.64 A)
&rst
ixpk= 930, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 10-2:931 51 LEU HN 7.00 (# 931:10 Single Ambig)
&rst
ixpk= 931, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 99, 80, 81, 774, 775,
&end
#
# 6 LEU HG 51 LEU HN 7.00 (# 932:10 Unique 6.50, 6.58 A)
&rst
ixpk= 932, nxpk= 10, iat= 83, 729, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 50 TRP HB+ 51 LEU HN 5.50 (# 933:10 Unique 3.68, 4.09 A)
&rst
ixpk= 933, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 709, 710,
&end
#
# 5 THR HB 51 LEU HN 5.50 (# 934:10 Unique 5.06, 5.13 A)
&rst
ixpk= 934, nxpk= 10, iat= 66, 729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 VAL HN 51 LEU HN 5.50 (# 936:10 Unique 4.29, 4.36 A)
&rst
ixpk= 936, nxpk= 10, iat= 748, 729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ILE HN 51 LEU HN 4.50 (# 937:10 Unique 4.17, 4.28 A)
&rst
ixpk= 937, nxpk= 10, iat= 95, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU MDX 46 ALA HN 7.00 (# 938:10 Unique 4.75, 6.43 A)
&rst
ixpk= 938, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 89 GLY HA- 124 ASN HN 7.00 (# 939:10 Unique 6.22, 6.72 A)
&rst
ixpk= 939, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1295,1296,
&end
#
# 129 ASP HB+ 124 ASN HN 7.00 (# 940:10 Unique 5.23, 6.10 A)
&rst
ixpk= 940, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1900,1901,
&end
#
# 87 ALA MB 120 THR HN 5.50 (# 941:10 Unique 4.45, 5.65 A)
&rst
ixpk= 941, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1268,1269,1270,
&end
#
# 120 THR HA 120 THR HN 3.50 (# 942:10 Unique 2.74, 2.76 A)
&rst
ixpk= 942, nxpk= 10, iat=1743,1741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:943 120 THR HN 4.50 (# 943:10 Single Ambig)
&rst
ixpk= 943, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1350,1700,1701,
&end
#
# 0 AMB 10-2:944 120 THR HN 7.00 (# 944:10 Single Ambig)
&rst
ixpk= 944, nxpk= 10, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1755,1361,
&end
#
# 0 AMB 10-2:947 50 TRP HE1 7.00 (# 947:10 Single Ambig)
&rst
ixpk= 947, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 686, 679,
&end
#
# 46 ALA HA 50 TRP HE1 7.00 (# 948:10 Unique 3.31, 3.37 A)
&rst
ixpk= 948, nxpk= 10, iat= 660, 715, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 45 PRO HD- 50 TRP HE1 7.00 (# 949:10 Unique 4.72, 5.37 A)
&rst
ixpk= 949, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 645, 646,
&end
#
# 45 PRO HG- 50 TRP HE1 7.00 (# 950:10 Unique 5.05, 5.82 A)
&rst
ixpk= 950, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 648, 649,
&end
#
# 0 AMB 10-2:951 50 TRP HE1 5.50 (# 951:10 Single Ambig)
&rst
ixpk= 951, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 648, 649, 690,
&end
#
# 0 AMB 10-2:952 50 TRP HE1 7.00 (# 952:10 Single Ambig)
&rst
ixpk= 952, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 662, 663, 664, 632,
&end
#
# 0 AMB 10-2:953 50 TRP HE1 5.50 (# 953:10 Single Ambig)
&rst
ixpk= 953, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 68, 69, 70,1166,1167,1168,1170,1171,1172,1166,
1167,1168,1170,1171,1172,
&end
#
# 44 LEU MDX 50 TRP HE1 7.00 (# 954:10 Unique 4.74, 6.18 A)
&rst
ixpk= 954, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 10-2:955 50 TRP HE1 7.00 (# 955:10 Single Ambig)
&rst
ixpk= 955, nxpk= 10, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 654, 681, 682,
&end
#
# 0 AMB 10-2:956 7 ILE HN 4.50 (# 956:10 Single Ambig)
&rst
ixpk= 956, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 101, 102, 103,1287,1288,1289,
&end
#
# 7 ILE HG1- 7 ILE HN 4.50 (# 957:10 Unique 1.99, 2.63 A)
&rst
ixpk= 957, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 105, 106,
&end
#
# 53 ILE MD1 7 ILE HN 5.50 (# 958:10 Unique 2.71, 3.62 A)
&rst
ixpk= 958, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 777, 778, 779,
&end
#
# 0 AMB 10-2:959 7 ILE HN 5.50 (# 959:10 Single Ambig)
&rst
ixpk= 959, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 68, 69, 70, 754, 755, 756, 758, 759, 760, 512,
513, 514, 516, 517, 518,
&end
#
# 6 LEU HB+ 7 ILE HN 5.50 (# 960:10 Unique 3.47, 4.05 A)
&rst
ixpk= 960, nxpk= 10, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 80, 81,
&end
#
# 51 LEU HN 7 ILE HN 4.50 (# 961:10 Unique 4.17, 4.28 A)
&rst
ixpk= 961, nxpk= 10, iat= 729, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HN 7 ILE HN 7.00 (# 962:10 Unique 4.24, 4.28 A)
&rst
ixpk= 962, nxpk= 10, iat= 76, 95, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 87 ALA HA 87 ALA HN 4.50 (# 965:10 Unique 2.90, 2.91 A)
&rst
ixpk= 965, nxpk= 10, iat=1266,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 GLN HE2+ 87 ALA HN 4.50 (# 966:10 Unique 2.58, 3.44 A)
&rst
ixpk= 966, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1700,1701,
&end
#
# 0 AMB 10-2:967 87 ALA HN 7.00 (# 967:10 Single Ambig)
&rst
ixpk= 967, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1257,1741,
&end
#
# 88 ILE HN 87 ALA HN 5.50 (# 968:10 Unique 4.42, 4.51 A)
&rst
ixpk= 968, nxpk= 10, iat=1274,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:969 123 ILE HN 3.50 (# 969:10 Single Ambig)
&rst
ixpk= 969, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1802,1803,1804,1764,1765,1766,1768,1769,1770,
&end
#
# 123 ILE HG1+ 123 ILE HN 5.50 (# 970:10 Unique 2.03, 2.96 A)
&rst
ixpk= 970, nxpk= 10, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1806,1807,
&end
#
# 123 ILE HA 123 ILE HN 4.50 (# 971:10 Unique 2.90, 2.92 A)
&rst
ixpk= 971, nxpk= 10, iat=1798,1796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 GLY HN 123 ILE HN 4.50 (# 972:10 Unique 3.68, 3.93 A)
&rst
ixpk= 972, nxpk= 10, iat=1293,1796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LEU MDX 147 LYS HN 5.50 (# 973:10 Unique 3.16, 4.32 A)
&rst
ixpk= 973, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 10-2:974 147 LYS HN 7.00 (# 974:10 Single Ambig)
&rst
ixpk= 974, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 145 LEU HA 147 LYS HN 5.50 (# 975:10 Unique 4.24, 4.33 A)
&rst
ixpk= 975, nxpk= 10, iat=2139,2175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 ASN HA 147 LYS HN 5.50 (# 976:10 Unique 3.18, 3.53 A)
&rst
ixpk= 976, nxpk= 10, iat=2125,2175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 LEU HN 147 LYS HN 5.50 (# 977:10 Unique 3.66, 3.72 A)
&rst
ixpk= 977, nxpk= 10, iat=2137,2175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 SER HN 82 ALA HN 3.50 (# 978:10 Unique 2.39, 2.50 A)
&rst
ixpk= 978, nxpk= 10, iat=1176,1187, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 LEU HB- 82 ALA HN 5.50 (# 979:10 Unique 3.94, 4.61 A)
&rst
ixpk= 979, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1161,1162,
&end
#
# 80 LEU MDX 82 ALA HN 5.50 (# 980:10 Unique 4.28, 6.14 A)
&rst
ixpk= 980, nxpk= 10, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 98 PHE HB- 98 PHE HN 7.00 (# 981:10 Unique 2.09, 2.76 A)
&rst
ixpk= 981, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1427,1428,
&end
#
# 98 PHE HB+ 98 PHE HN 5.50 (# 982:10 Unique 2.09, 2.76 A)
&rst
ixpk= 982, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1427,1428,
&end
#
# 0 AMB 10-2:983 41 LEU HN 5.50 (# 983:10 Single Ambig)
&rst
ixpk= 983, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 588, 589, 590, 592, 593, 594, 512, 513, 514, 516,
517, 518,
&end
#
# 41 LEU MDY 41 LEU HN 5.50 (# 984:10 Unique 3.75, 5.37 A)
&rst
ixpk= 984, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 41 LEU HA 41 LEU HN 3.50 (# 985:10 Unique 2.28, 2.28 A)
&rst
ixpk= 985, nxpk= 10, iat= 581, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 PHE HA 41 LEU HN 7.00 (# 986:10 Unique 6.70, 6.88 A)
&rst
ixpk= 986, nxpk= 10, iat= 977, 579, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:987 41 LEU HN 7.00 (# 987:10 Single Ambig)
&rst
ixpk= 987, nxpk= 10, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 613,1104,1105,
&end
#
# 40 LEU HN 41 LEU HN 7.00 (# 989:10 Unique 1.99, 2.03 A)
&rst
ixpk= 989, nxpk= 10, iat= 560, 579, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 139 LEU MDY 26 LEU HN 4.50 (# 990:10 Unique 3.26, 4.99 A)
&rst
ixpk= 990, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 0 AMB 10-2:991 26 LEU HN 7.00 (# 991:10 Single Ambig)
&rst
ixpk= 991, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 348, 349, 317, 318, 319,
&end
#
# 25 LYS HB- 26 LEU HN 4.50 (# 992:10 Unique 2.24, 2.91 A)
&rst
ixpk= 992, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 342, 343,
&end
#
# 27 GLU HG+ 26 LEU HN 7.00 (# 993:10 Unique 5.28, 5.79 A)
&rst
ixpk= 993, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 386, 387,
&end
#
# 28 GLU HN 26 LEU HN 5.50 (# 994:10 Unique 4.10, 4.26 A)
&rst
ixpk= 994, nxpk= 10, iat= 394, 360, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LYS HG+ 26 LEU HN 7.00 (# 996:10 Unique 3.85, 4.28 A)
&rst
ixpk= 996, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 345, 346,
&end
#
# 0 AMB 10-2:998 132 GLU HN 4.50 (# 998:10 Single Ambig)
&rst
ixpk= 998, nxpk= 10, iat= -1,1941, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1931,1932,1934,1935,
&end
#
# 131 PRO HB- 132 GLU HN 5.50 (# 999:10 Unique 2.03, 3.26 A)
&rst
ixpk= 999, nxpk= 10, iat= -1,1941, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1934,1935,
&end
#
# 36 LEU MDY 37 HIS HN 4.50 (# 1000:10 Unique 4.81, 5.75 A)
&rst
ixpk= 1000, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 10-2:1001 37 HIS HN 5.50 (# 1001:10 Single Ambig)
&rst
ixpk= 1001, nxpk= 10, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 512, 513, 514, 516, 517, 518, 495, 496, 497,
&end
#
# 83 VAL MGY 83 VAL HN 4.50 (# 1002:10 Unique 1.91, 3.77 A)
&rst
ixpk= 1002, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 0 AMB 10-2:1003 83 VAL HN 7.00 (# 1003:10 Single Ambig)
&rst
ixpk= 1003, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1220,1221,1220,1221,1217,1218,
&end
#
# 80 LEU HB+ 83 VAL HN 5.50 (# 1004:10 Unique 3.24, 4.06 A)
&rst
ixpk= 1004, nxpk= 10, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1161,1162,
&end
#
# 109 LEU HB- 114 ALA HN 7.00 (# 1005:10 Unique 6.10, 6.66 A)
&rst
ixpk= 1005, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1587,1588,
&end
#
# 80 LEU HG 114 ALA HN 7.00 (# 1006:10 Unique 3.79, 3.90 A)
&rst
ixpk= 1006, nxpk= 10, iat=1164,1656, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 113 GLY HA- 114 ALA HN 4.50 (# 1007:10 Unique 2.86, 3.21 A)
&rst
ixpk= 1007, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1651,1652,
&end
#
# 0 AMB 10-2:1008 114 ALA HN 5.50 (# 1008:10 Single Ambig)
&rst
ixpk= 1008, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1642,1643,1180,1181,
&end
#
# 112 SER HB+ 114 ALA HN 7.00 (# 1009:10 Unique 4.33, 4.56 A)
&rst
ixpk= 1009, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1642,1643,
&end
#
# 110 LYS HA 114 ALA HN 4.50 (# 1010:10 Unique 3.82, 3.94 A)
&rst
ixpk= 1010, nxpk= 10, iat=1604,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1013 28 GLU HN 4.50 (# 1013:10 Single Ambig)
&rst
ixpk= 1013, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 413, 414, 415, 342, 343,
&end
#
# 25 LYS HD+ 28 GLU HN 5.50 (# 1014:10 Unique 5.11, 6.08 A)
&rst
ixpk= 1014, nxpk= 10, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 348, 349,
&end
#
# 30 GLY HN 28 GLU HN 5.50 (# 1015:10 Unique 4.40, 4.47 A)
&rst
ixpk= 1015, nxpk= 10, iat= 419, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LEU HN 28 GLU HN 4.50 (# 1016:10 Unique 4.10, 4.26 A)
&rst
ixpk= 1016, nxpk= 10, iat= 360, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1017 23 ALA HN 3.50 (# 1017:10 Single Ambig)
&rst
ixpk= 1017, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 85, 86, 87, 89, 90, 91, 369, 370, 371, 373,
374, 375,
&end
#
# 22 LEU HB+ 23 ALA HN 3.50 (# 1018:10 Unique 2.42, 2.69 A)
&rst
ixpk= 1018, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 298, 299,
&end
#
# 0 AMB 10-2:1019 23 ALA HN 7.00 (# 1019:10 Single Ambig)
&rst
ixpk= 1019, nxpk= 10, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 256, 257, 258, 774, 775,
&end
#
# 4 ILE MG2 3 ASP HN 5.50 (# 1021:10 Unique 6.18, 6.54 A)
&rst
ixpk= 1021, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 49, 50, 51,
&end
#
# 4 ILE HG1- 3 ASP HN 5.50 (# 1022:10 Unique 4.05, 4.82 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 53, 54,
&end
#
# 66 LEU MDX 69 PHE HN 5.50 (# 1023:10 Unique 2.28, 5.30 A)
&rst
ixpk= 1023, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 940, 941, 942, 944, 945, 946,
&end
#
# 66 LEU MDY 69 PHE HN 5.50 (# 1024:10 Unique 2.28, 5.30 A)
&rst
ixpk= 1024, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 940, 941, 942, 944, 945, 946,
&end
#
# 68 PRO HB+ 69 PHE HN 4.50 (# 1025:10 Unique 3.02, 3.57 A)
&rst
ixpk= 1025, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 968, 969,
&end
#
# 68 PRO HD- 69 PHE HN 4.50 (# 1026:10 Unique 2.65, 3.26 A)
&rst
ixpk= 1026, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 962, 963,
&end
#
# 0 AMB 10-2:1027 69 PHE HN 5.50 (# 1027:10 Single Ambig)
&rst
ixpk= 1027, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 971, 145,
&end
#
# 71 GLU HN 69 PHE HN 5.50 (# 1028:10 Unique 4.10, 4.16 A)
&rst
ixpk= 1028, nxpk= 10, iat=1016, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 LEU MDY 109 LEU HN 4.50 (# 1029:10 Unique 2.95, 4.29 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 109 LEU MDX 109 LEU HN 4.50 (# 1030:10 Unique 2.95, 4.29 A)
&rst
ixpk= 1030, nxpk= 10, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 108 GLU HA 109 LEU HN 5.50 (# 1031:10 Unique 3.50, 3.52 A)
&rst
ixpk= 1031, nxpk= 10, iat=1570,1583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 LEU MDX 72 ALA HN 5.50 (# 1033:10 Unique 5.70, 6.79 A)
&rst
ixpk= 1033, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 41 LEU MDY 72 ALA HN 7.00 (# 1034:10 Unique 3.72, 5.31 A)
&rst
ixpk= 1034, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU HB- 72 ALA HN 7.00 (# 1035:10 Unique 4.46, 5.34 A)
&rst
ixpk= 1035, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1045,1046,
&end
#
# 0 AMB 10-2:1036 72 ALA HN 7.00 (# 1036:10 Single Ambig)
&rst
ixpk= 1036, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1023,1024,1084,1085,
&end
#
# 0 AMB 10-2:1037 72 ALA HN 5.50 (# 1037:10 Single Ambig)
&rst
ixpk= 1037, nxpk= 10, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 999,1000, 979, 980,
&end
#
# 68 PRO HA 72 ALA HN 5.50 (# 1038:10 Unique 3.48, 3.71 A)
&rst
ixpk= 1038, nxpk= 10, iat= 971,1031, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 ALA MB 111 ASN HN 5.50 (# 1041:10 Unique 5.12, 5.72 A)
&rst
ixpk= 1041, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1562,1563,1564,
&end
#
# 0 AMB 10-2:1042 111 ASN HN 5.50 (# 1042:10 Single Ambig)
&rst
ixpk= 1042, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1612,1613,1612,1613,
&end
#
# 110 LYS HG+ 111 ASN HN 5.50 (# 1043:10 Unique 4.06, 4.57 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1609,1610,
&end
#
# 109 LEU HB+ 111 ASN HN 7.00 (# 1044:10 Unique 4.81, 5.24 A)
&rst
ixpk= 1044, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1587,1588,
&end
#
# 107 ALA HA 111 ASN HN 7.00 (# 1045:10 Unique 4.13, 4.17 A)
&rst
ixpk= 1045, nxpk= 10, iat=1560,1624, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1046 111 ASN HN 7.00 (# 1046:10 Single Ambig)
&rst
ixpk= 1046, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1585,1545,
&end
#
# 0 AMB 10-2:1047 111 ASN HN 5.50 (# 1047:10 Single Ambig)
&rst
ixpk= 1047, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1640,1668,
&end
#
# 111 ASN HD2- 111 ASN HN 5.50 (# 1048:10 Unique 3.54, 4.31 A)
&rst
ixpk= 1048, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1633,1634,
&end
#
# 0 AMB 10-2:1049 111 ASN HN 5.50 (# 1049:10 Single Ambig)
&rst
ixpk= 1049, nxpk= 10, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1649,1568,
&end
#
# 0 AMB 10-2:1053 27 GLU HN 5.50 (# 1053:10 Single Ambig)
&rst
ixpk= 1053, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 367,2053,
&end
#
# 24 GLU HA 27 GLU HN 4.50 (# 1054:10 Unique 3.70, 3.75 A)
&rst
ixpk= 1054, nxpk= 10, iat= 325, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1055 27 GLU HN 4.50 (# 1055:10 Single Ambig)
&rst
ixpk= 1055, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 362, 340,
&end
#
# 139 LEU HB+ 139 LEU HN 3.50 (# 1057:10 Unique 2.05, 2.70 A)
&rst
ixpk= 1057, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2050,2051,
&end
#
# 139 LEU MDX 139 LEU HN 5.50 (# 1058:10 Unique 1.96, 4.29 A)
&rst
ixpk= 1058, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 139 LEU MDY 139 LEU HN 4.50 (# 1059:10 Unique 1.96, 4.29 A)
&rst
ixpk= 1059, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 121 LEU MDX 139 LEU HN 5.50 (# 1060:10 Unique 3.16, 4.89 A)
&rst
ixpk= 1060, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 121 LEU HG 139 LEU HN 5.50 (# 1061:10 Unique 3.84, 4.19 A)
&rst
ixpk= 1061, nxpk= 10, iat=1762,2046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1062 139 LEU HN 5.50 (# 1062:10 Single Ambig)
&rst
ixpk= 1062, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1996,1997,2011,2012,
&end
#
# 0 AMB 10-2:1063 139 LEU HN 4.50 (# 1063:10 Single Ambig)
&rst
ixpk= 1063, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2041,2102,2030,
&end
#
# 128 HIS HB- 129 ASP HN 4.50 (# 1065:10 Unique 2.20, 3.74 A)
&rst
ixpk= 1065, nxpk= 10, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1883,1884,
&end
#
# 129 ASP HA 129 ASP HN 2.80 (# 1066:10 Unique 2.76, 2.85 A)
&rst
ixpk= 1066, nxpk= 10, iat=1898,1896, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 ILE HG1- 49 ILE HN 5.50 (# 1068:10 Unique 3.32, 4.13 A)
&rst
ixpk= 1068, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 53, 54,
&end
#
# 49 ILE HG1- 49 ILE HN 2.80 (# 1069:10 Unique 2.41, 3.33 A)
&rst
ixpk= 1069, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 696, 697,
&end
#
# 0 AMB 10-2:1070 49 ILE HN 7.00 (# 1070:10 Single Ambig)
&rst
ixpk= 1070, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1213, 43,
&end
#
# 5 THR HN 49 ILE HN 5.50 (# 1071:10 Unique 3.99, 4.07 A)
&rst
ixpk= 1071, nxpk= 10, iat= 62, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1072 34 GLU HN 5.50 (# 1072:10 Single Ambig)
&rst
ixpk= 1072, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 512, 513, 514, 516, 517, 518, 68, 69, 70,
&end
#
# 0 AMB 10-2:1073 34 GLU HN 4.50 (# 1073:10 Single Ambig)
&rst
ixpk= 1073, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 466, 467, 468, 733, 734,
&end
#
# 34 GLU HG+ 34 GLU HN 7.00 (# 1074:10 Unique 4.42, 4.47 A)
&rst
ixpk= 1074, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 481, 482,
&end
#
# 34 GLU HA 34 GLU HN 3.50 (# 1075:10 Unique 2.95, 2.95 A)
&rst
ixpk= 1075, nxpk= 10, iat= 476, 474, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ILE HN 34 GLU HN 4.50 (# 1076:10 Unique 3.98, 4.01 A)
&rst
ixpk= 1076, nxpk= 10, iat= 43, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1077 34 GLU HN 4.50 (# 1077:10 Single Ambig)
&rst
ixpk= 1077, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 489, 31,
&end
#
# 0 AMB 10-2:1079 34 GLU HN 5.50 (# 1079:10 Single Ambig)
&rst
ixpk= 1079, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 62, 503,
&end
#
# 18 VAL MGX 19 ALA HN 5.50 (# 1080:10 Unique 2.15, 4.05 A)
&rst
ixpk= 1080, nxpk= 10, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 19 ALA HA 19 ALA HN 4.50 (# 1081:10 Unique 2.78, 2.80 A)
&rst
ixpk= 1081, nxpk= 10, iat= 254, 252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1083 94 GLU HN 5.50 (# 1083:10 Single Ambig)
&rst
ixpk= 1083, nxpk= 10, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1341,1342,1368,1369,
&end
#
# 94 GLU HA 94 GLU HN 5.50 (# 1084:10 Unique 2.76, 2.84 A)
&rst
ixpk= 1084, nxpk= 10, iat=1363,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 TYR HN 94 GLU HN 5.50 (# 1085:10 Unique 1.90, 2.38 A)
&rst
ixpk= 1085, nxpk= 10, iat=1376,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 LEU MDY 44 LEU HN 3.50 (# 1086:10 Unique 3.61, 4.70 A)
&rst
ixpk= 1086, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 36 LEU MDX 44 LEU HN 7.00 (# 1087:10 Unique 4.56, 6.06 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 5 THR MG2 44 LEU HN 5.50 (# 1088:10 Unique 3.14, 3.97 A)
&rst
ixpk= 1088, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 68, 69, 70,
&end
#
# 44 LEU HB- 44 LEU HN 3.50 (# 1089:10 Unique 2.40, 3.04 A)
&rst
ixpk= 1089, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 629, 630,
&end
#
# 40 LEU HB+ 44 LEU HN 7.00 (# 1090:10 Unique 6.05, 6.40 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 564, 565,
&end
#
# 40 LEU HB- 44 LEU HN 7.00 (# 1091:10 Unique 6.05, 6.40 A)
&rst
ixpk= 1091, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 564, 565,
&end
#
# 43 ASP HA 44 LEU HN 4.50 (# 1092:10 Unique 3.45, 3.46 A)
&rst
ixpk= 1092, nxpk= 10, iat= 615, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 GLU HN 44 LEU HN 5.50 (# 1093:10 Unique 5.01, 5.02 A)
&rst
ixpk= 1093, nxpk= 10, iat= 598, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 ASP HB- 104 LYS HN 4.50 (# 1095:10 Unique 4.13, 4.29 A)
&rst
ixpk= 1095, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1494,1495,
&end
#
# 92 SER HB+ 104 LYS HN 5.50 (# 1096:10 Unique 4.96, 5.63 A)
&rst
ixpk= 1096, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1330,1331,
&end
#
# 104 LYS HA 104 LYS HN 3.50 (# 1097:10 Unique 2.70, 2.75 A)
&rst
ixpk= 1097, nxpk= 10, iat=1504,1502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ALA HN 104 LYS HN 5.50 (# 1098:10 Unique 4.65, 4.77 A)
&rst
ixpk= 1098, nxpk= 10, iat=1558,1502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1099 104 LYS HN 5.50 (# 1099:10 Single Ambig)
&rst
ixpk= 1099, nxpk= 10, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1543, 917,
&end
#
# 19 ALA MB 18 VAL HN 5.50 (# 1100:10 Unique 3.99, 4.90 A)
&rst
ixpk= 1100, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 256, 257, 258,
&end
#
# 0 AMB 10-2:1101 18 VAL HN 7.00 (# 1101:10 Single Ambig)
&rst
ixpk= 1101, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 207, 208, 298, 299,
&end
#
# 21 HIS HB- 18 VAL HN 5.50 (# 1102:10 Unique 5.07, 5.79 A)
&rst
ixpk= 1102, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 281, 282,
&end
#
# 17 TYR HB- 18 VAL HN 7.00 (# 1103:10 Unique 2.14, 2.89 A)
&rst
ixpk= 1103, nxpk= 10, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 219, 220,
&end
#
# 4 ILE MD1 31 PHE HN 7.00 (# 1105:10 Unique 4.98, 5.72 A)
&rst
ixpk= 1105, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 56, 57, 58,
&end
#
# 0 AMB 10-2:1106 31 PHE HN 5.50 (# 1106:10 Single Ambig)
&rst
ixpk= 1106, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 369, 370, 371, 373, 374, 375, 369, 370, 371, 373,
374, 375, 49, 50, 51,
&end
#
# 33 THR MG2 31 PHE HN 4.50 (# 1107:10 Unique 5.32, 5.68 A)
&rst
ixpk= 1107, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 466, 467, 468,
&end
#
# 0 AMB 10-2:1108 31 PHE HN 5.50 (# 1108:10 Single Ambig)
&rst
ixpk= 1108, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 383, 384, 398, 399,
&end
#
# 30 GLY HA- 31 PHE HN 4.50 (# 1109:10 Unique 3.11, 3.27 A)
&rst
ixpk= 1109, nxpk= 10, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 421, 422,
&end
#
# 32 THR HN 31 PHE HN 5.50 (# 1110:10 Unique 4.45, 4.45 A)
&rst
ixpk= 1110, nxpk= 10, iat= 446, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 VAL MGX 115 LYS HN 7.00 (# 1111:10 Unique 5.64, 6.70 A)
&rst
ixpk= 1111, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 117 THR MG2 115 LYS HN 7.00 (# 1112:10 Unique 7.70, 8.30 A)
&rst
ixpk= 1112, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1711,1712,1713,
&end
#
# 0 AMB 10-2:1113 115 LYS HN 5.50 (# 1113:10 Single Ambig)
&rst
ixpk= 1113, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1161,1162,1692,1693,
&end
#
# 115 LYS HG- 115 LYS HN 4.50 (# 1114:10 Unique 1.98, 2.47 A)
&rst
ixpk= 1114, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1673,1674,
&end
#
# 0 AMB 10-2:1115 115 LYS HN 7.00 (# 1115:10 Single Ambig)
&rst
ixpk= 1115, nxpk= 10, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1187,1157,1624,
&end
#
# 85 PHE HN 115 LYS HN 4.50 (# 1116:10 Unique 2.78, 3.11 A)
&rst
ixpk= 1116, nxpk= 10, iat=1237,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 LEU HA 105 LEU HN 4.50 (# 1117:10 Unique 2.74, 2.75 A)
&rst
ixpk= 1117, nxpk= 10, iat=1526,1524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1118 105 LEU HN 5.50 (# 1118:10 Single Ambig)
&rst
ixpk= 1118, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1533,1534,1535,1537,1538,1539, 940, 941, 942, 944,
945, 946,
&end
#
# 105 LEU HB- 105 LEU HN 4.50 (# 1119:10 Unique 2.15, 2.54 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1528,1529,
&end
#
# 104 LYS HB+ 105 LEU HN 4.50 (# 1120:10 Unique 2.48, 3.07 A)
&rst
ixpk= 1120, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1506,1507,
&end
#
# 56 THR HB 105 LEU HN 7.00 (# 1121:10 Unique 4.78, 5.29 A)
&rst
ixpk= 1121, nxpk= 10, iat= 809,1524, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1122 88 ILE HN 4.50 (# 1122:10 Single Ambig)
&rst
ixpk= 1122, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1287,1288,1289, 738, 739, 740, 742, 743, 744,
&end
#
# 88 ILE HG1+ 88 ILE HN 5.50 (# 1123:10 Unique 2.46, 3.22 A)
&rst
ixpk= 1123, nxpk= 10, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1284,1285,
&end
#
# 26 LEU MDX 29 ALA HN 5.50 (# 1127:10 Unique 5.22, 6.36 A)
&rst
ixpk= 1127, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 369, 370, 371, 373, 374, 375,
&end
#
# 0 AMB 10-2:1128 29 ALA HN 5.50 (# 1128:10 Single Ambig)
&rst
ixpk= 1128, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2113,2114,2115,2117,2118,2119,2055,2056,2057,2059,
2060,2061,
&end
#
# 33 THR MG2 29 ALA HN 7.00 (# 1129:10 Unique 5.38, 6.16 A)
&rst
ixpk= 1129, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 466, 467, 468,
&end
#
# 28 GLU HG+ 29 ALA HN 5.50 (# 1130:10 Unique 4.42, 5.17 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 401, 402,
&end
#
# 30 GLY HN 29 ALA HN 2.80 (# 1131:10 Unique 2.60, 2.64 A)
&rst
ixpk= 1131, nxpk= 10, iat= 419, 409, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 GLU HN 29 ALA HN 2.80 (# 1132:10 Unique 2.47, 2.57 A)
&rst
ixpk= 1132, nxpk= 10, iat= 394, 409, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 105 LEU MDY 70 TYR HN 7.00 (# 1133:10 Unique 3.00, 4.91 A)
&rst
ixpk= 1133, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 10-2:1134 70 TYR HN 7.00 (# 1134:10 Single Ambig)
&rst
ixpk= 1134, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1533,1534,1535,1537,1538,1539, 940, 941, 942, 944,
945, 946,
&end
#
# 70 TYR HB- 70 TYR HN 3.50 (# 1135:10 Unique 2.07, 2.64 A)
&rst
ixpk= 1135, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 999,1000,
&end
#
# 69 PHE HB+ 70 TYR HN 4.50 (# 1136:10 Unique 2.06, 2.61 A)
&rst
ixpk= 1136, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 979, 980,
&end
#
# 70 TYR HA 70 TYR HN 4.50 (# 1137:10 Unique 2.76, 2.77 A)
&rst
ixpk= 1137, nxpk= 10, iat= 997, 995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ILE MG2 8 SER HN 4.50 (# 1138:10 Unique 3.51, 4.10 A)
&rst
ixpk= 1138, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 101, 102, 103,
&end
#
# 0 AMB 10-2:1139 8 SER HN 5.50 (# 1139:10 Single Ambig)
&rst
ixpk= 1139, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 777, 778, 779, 495, 496, 497,
&end
#
# 36 LEU HB- 8 SER HN 5.50 (# 1140:10 Unique 3.68, 4.53 A)
&rst
ixpk= 1140, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 507, 508,
&end
#
# 0 AMB 10-2:1141 8 SER HN 4.50 (# 1141:10 Single Ambig)
&rst
ixpk= 1141, nxpk= 10, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 99, 256, 257, 258, 510,
&end
#
# 36 LEU HN 8 SER HN 5.50 (# 1142:10 Unique 3.93, 4.03 A)
&rst
ixpk= 1142, nxpk= 10, iat= 503, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR MG2 61 ASP HN 5.50 (# 1143:10 Unique 5.46, 6.87 A)
&rst
ixpk= 1143, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 811, 812, 813,
&end
#
# 60 GLY HA- 61 ASP HN 5.50 (# 1144:10 Unique 2.18, 2.58 A)
&rst
ixpk= 1144, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 855, 856,
&end
#
# 60 GLY HA+ 61 ASP HN 5.50 (# 1145:10 Unique 2.18, 2.58 A)
&rst
ixpk= 1145, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 855, 856,
&end
#
# 111 ASN HN 110 LYS HN 2.80 (# 1147:10 Unique 2.36, 2.43 A)
&rst
ixpk= 1147, nxpk= 10, iat=1624,1602, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 110 LYS HA 110 LYS HN 3.50 (# 1150:10 Unique 2.87, 2.88 A)
&rst
ixpk= 1150, nxpk= 10, iat=1604,1602, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ALA HA 110 LYS HN 5.50 (# 1151:10 Unique 3.85, 3.89 A)
&rst
ixpk= 1151, nxpk= 10, iat=1560,1602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1152 110 LYS HN 5.50 (# 1152:10 Single Ambig)
&rst
ixpk= 1152, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1547,1548,1550,1551,
&end
#
# 0 AMB 10-2:1153 110 LYS HN 3.50 (# 1153:10 Single Ambig)
&rst
ixpk= 1153, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1612,1613,1612,1613,
&end
#
# 0 AMB 10-2:1154 110 LYS HN 5.50 (# 1154:10 Single Ambig)
&rst
ixpk= 1154, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1590,1562,1563,1564,
&end
#
# 109 LEU HB+ 110 LYS HN 3.50 (# 1155:10 Unique 2.51, 3.05 A)
&rst
ixpk= 1155, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1587,1588,
&end
#
# 109 LEU MDY 110 LYS HN 5.50 (# 1156:10 Unique 4.99, 5.64 A)
&rst
ixpk= 1156, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 44 LEU MDY 43 ASP HN 7.00 (# 1161:10 Unique 5.41, 6.68 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 10-2:1162 43 ASP HN 5.50 (# 1162:10 Single Ambig)
&rst
ixpk= 1162, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 101, 102, 103, 634, 635, 636, 638, 639, 640,
&end
#
# 0 AMB 10-2:1163 43 ASP HN 5.50 (# 1163:10 Single Ambig)
&rst
ixpk= 1163, nxpk= 10, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 629, 630, 583, 584, 567,
&end
#
# 42 GLU HN 43 ASP HN 3.50 (# 1164:10 Unique 3.11, 3.18 A)
&rst
ixpk= 1164, nxpk= 10, iat= 598, 613, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 TYR HB- 17 TYR HN 5.50 (# 1165:10 Unique 2.14, 2.58 A)
&rst
ixpk= 1165, nxpk= 10, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 219, 220,
&end
#
# 105 LEU MDX 107 ALA HN 7.00 (# 1166:10 Unique 4.86, 6.31 A)
&rst
ixpk= 1166, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1533,1534,1535,1537,1538,1539,
&end
#
# 105 LEU HB- 107 ALA HN 7.00 (# 1167:10 Unique 4.37, 4.81 A)
&rst
ixpk= 1167, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1528,1529,
&end
#
# 0 AMB 10-2:1168 107 ALA HN 5.50 (# 1168:10 Single Ambig)
&rst
ixpk= 1168, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1572,1573,1341,1342,1606,1607,1606,1607,
&end
#
# 104 LYS HB+ 107 ALA HN 5.50 (# 1169:10 Unique 5.23, 5.38 A)
&rst
ixpk= 1169, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1506,1507,
&end
#
# 106 GLU HA 107 ALA HN 5.50 (# 1170:10 Unique 3.49, 3.50 A)
&rst
ixpk= 1170, nxpk= 10, iat=1545,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1171 107 ALA HN 5.50 (# 1171:10 Single Ambig)
&rst
ixpk= 1171, nxpk= 10, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1492,1570,
&end
#
# 108 GLU HN 107 ALA HN 3.50 (# 1172:10 Unique 2.85, 2.88 A)
&rst
ixpk= 1172, nxpk= 10, iat=1568,1558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 LEU MDX 106 GLU HN 4.50 (# 1173:10 Unique 2.75, 4.64 A)
&rst
ixpk= 1173, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1533,1534,1535,1537,1538,1539,
&end
#
# 105 LEU MDY 106 GLU HN 5.50 (# 1174:10 Unique 2.75, 4.64 A)
&rst
ixpk= 1174, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 10-2:1175 106 GLU HN 5.50 (# 1175:10 Single Ambig)
&rst
ixpk= 1175, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1562,1563,1564,1304,
&end
#
# 109 LEU MDY 106 GLU HN 5.50 (# 1176:10 Unique 3.98, 5.99 A)
&rst
ixpk= 1176, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 106 GLU HG+ 106 GLU HN 5.50 (# 1177:10 Unique 2.14, 2.92 A)
&rst
ixpk= 1177, nxpk= 10, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1550,1551,
&end
#
# 18 VAL MGY 21 HIS HN 5.50 (# 1178:10 Unique 4.80, 6.20 A)
&rst
ixpk= 1178, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 20 GLU HG+ 21 HIS HN 5.50 (# 1179:10 Unique 3.95, 4.74 A)
&rst
ixpk= 1179, nxpk= 10, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 269, 270,
&end
#
# 146 LEU MDY 146 LEU HN 4.50 (# 1180:10 Unique 1.95, 4.42 A)
&rst
ixpk= 1180, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 41 LEU MDY 73 LEU HN 7.00 (# 1181:10 Unique 3.30, 4.60 A)
&rst
ixpk= 1181, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU HB+ 73 LEU HN 2.80 (# 1182:10 Unique 2.29, 2.94 A)
&rst
ixpk= 1182, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1045,1046,
&end
#
# 0 AMB 10-2:1183 73 LEU HN 4.50 (# 1183:10 Single Ambig)
&rst
ixpk= 1183, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1081,1082,1067,1068,1064,1065,1572,1573,
&end
#
# 74 GLN HN 73 LEU HN 3.50 (# 1184:10 Unique 2.98, 3.00 A)
&rst
ixpk= 1184, nxpk= 10, iat=1060,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1185 73 LEU HN 5.50 (# 1185:10 Single Ambig)
&rst
ixpk= 1185, nxpk= 10, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1077, 995,
&end
#
# 21 HIS HB- 22 LEU HN 4.50 (# 1186:10 Unique 2.21, 3.07 A)
&rst
ixpk= 1186, nxpk= 10, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 281, 282,
&end
#
# 0 AMB 10-2:1187 145 LEU HN 5.50 (# 1187:10 Single Ambig)
&rst
ixpk= 1187, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2113,2114,2115,2117,2118,2119,2113,2114,2115,2117,
2118,2119,
&end
#
# 145 LEU HB- 145 LEU HN 3.50 (# 1188:10 Unique 2.04, 2.69 A)
&rst
ixpk= 1188, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2141,2142,
&end
#
# 0 AMB 10-2:1191 145 LEU HN 3.50 (# 1191:10 Single Ambig)
&rst
ixpk= 1191, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2127,2128,2127,2128,
&end
#
# 143 VAL HA 145 LEU HN 7.00 (# 1192:10 Unique 3.88, 3.95 A)
&rst
ixpk= 1192, nxpk= 10, iat=2109,2137, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 142 TRP HA 145 LEU HN 5.50 (# 1193:10 Unique 3.44, 3.52 A)
&rst
ixpk= 1193, nxpk= 10, iat=2085,2137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1194 145 LEU HN 5.50 (# 1194:10 Single Ambig)
&rst
ixpk= 1194, nxpk= 10, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2158,2076,2077,
&end
#
# 143 VAL HN 145 LEU HN 5.50 (# 1195:10 Unique 3.75, 3.84 A)
&rst
ixpk= 1195, nxpk= 10, iat=2107,2137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ALA HA 22 LEU HN 5.50 (# 1196:10 Unique 3.73, 3.80 A)
&rst
ixpk= 1196, nxpk= 10, iat= 254, 294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLU HA 95 TYR HN 3.50 (# 1197:10 Unique 3.48, 3.53 A)
&rst
ixpk= 1197, nxpk= 10, iat=1363,1376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ILE MG2 40 LEU HN 7.00 (# 1199:10 Unique 4.94, 6.00 A)
&rst
ixpk= 1199, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 101, 102, 103,
&end
#
# 36 LEU MDX 40 LEU HN 7.00 (# 1200:10 Unique 4.18, 5.82 A)
&rst
ixpk= 1200, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 10-2:1201 40 LEU HN 7.00 (# 1201:10 Single Ambig)
&rst
ixpk= 1201, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 512, 513, 514, 516, 517, 518, 588, 589, 590, 592,
593, 594,
&end
#
# 36 LEU HB- 40 LEU HN 7.00 (# 1202:10 Unique 4.68, 4.89 A)
&rst
ixpk= 1202, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 507, 508,
&end
#
# 39 PRO HB+ 40 LEU HN 3.50 (# 1204:10 Unique 2.84, 3.37 A)
&rst
ixpk= 1204, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 553, 554,
&end
#
# 43 ASP HB+ 40 LEU HN 5.50 (# 1205:10 Unique 5.50, 6.17 A)
&rst
ixpk= 1205, nxpk= 10, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 617, 618,
&end
#
# 43 ASP HN 40 LEU HN 5.50 (# 1206:10 Unique 4.73, 4.82 A)
&rst
ixpk= 1206, nxpk= 10, iat= 613, 560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 LEU MDY 25 LYS HN 5.50 (# 1207:10 Unique 4.82, 6.72 A)
&rst
ixpk= 1207, nxpk= 10, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 25 LYS HA 25 LYS HN 3.50 (# 1208:10 Unique 2.76, 2.77 A)
&rst
ixpk= 1208, nxpk= 10, iat= 340, 338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 GLU HN 25 LYS HN 5.50 (# 1209:10 Unique 4.11, 4.19 A)
&rst
ixpk= 1209, nxpk= 10, iat= 379, 338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 PRO HG- 67 SER HN 5.50 (# 1213:10 Unique 3.88, 4.22 A)
&rst
ixpk= 1213, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 965, 966,
&end
#
# 0 AMB 10-2:1214 67 SER HN 7.00 (# 1214:10 Single Ambig)
&rst
ixpk= 1214, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 979, 980, 999,1000, 921, 922,
&end
#
# 69 PHE HN 67 SER HN 4.50 (# 1216:10 Unique 3.44, 3.67 A)
&rst
ixpk= 1216, nxpk= 10, iat= 975, 950, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1217 67 SER HN 7.00 (# 1217:10 Single Ambig)
&rst
ixpk= 1217, nxpk= 10, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 905, 132,
&end
#
# 0 AMB 10-2:1218 119 GLU HN 4.50 (# 1218:10 Single Ambig)
&rst
ixpk= 1218, nxpk= 10, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1711,1712,1713,1764,1765,1766,1768,1769,1770,2146,
2147,2148,2150,2151,2152,
&end
#
# 142 TRP HD1 119 GLU HN 7.00 (# 1219:10 Unique 3.48, 4.20 A)
&rst
ixpk= 1219, nxpk= 10, iat=2091,1726, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 118 GLY HN 119 GLU HN 4.50 (# 1220:10 Unique 2.34, 4.28 A)
&rst
ixpk= 1220, nxpk= 10, iat=1719,1726, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 THR HN 119 GLU HN 4.50 (# 1221:10 Unique 4.37, 4.42 A)
&rst
ixpk= 1221, nxpk= 10, iat=1741,1726, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 TRP HE1 119 GLU HN 4.50 (# 1222:10 Unique 2.72, 4.11 A)
&rst
ixpk= 1222, nxpk= 10, iat=2032,1726, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 ALA MB 71 GLU HN 7.00 (# 1223:10 Unique 4.91, 5.62 A)
&rst
ixpk= 1223, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1035,1036,1037,
&end
#
# 71 GLU HG- 71 GLU HN 4.50 (# 1224:10 Unique 2.95, 3.12 A)
&rst
ixpk= 1224, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1023,1024,
&end
#
# 145 LEU HB+ 118 GLY HN 7.00 (# 1225:10 Unique 5.54, 6.45 A)
&rst
ixpk= 1225, nxpk= 10, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2141,2142,
&end
#
# 0 AMB 10-2:1226 118 GLY HN 5.50 (# 1226:10 Single Ambig)
&rst
ixpk= 1226, nxpk= 10, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2141,2142,1676,1677,1217,1218,1220,1221,
&end
#
# 0 AMB 10-2:1227 118 GLY HN 5.50 (# 1227:10 Single Ambig)
&rst
ixpk= 1227, nxpk= 10, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1733,1734,1695,1696,
&end
#
# 118 GLY HA+ 118 GLY HN 2.80 (# 1228:10 Unique 2.30, 2.58 A)
&rst
ixpk= 1228, nxpk= 10, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1721,1722,
&end
#
# 117 THR HB 118 GLY HN 5.50 (# 1229:10 Unique 3.89, 4.16 A)
&rst
ixpk= 1229, nxpk= 10, iat=1709,1719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 GLY HA- 118 GLY HN 2.80 (# 1230:10 Unique 2.30, 2.58 A)
&rst
ixpk= 1230, nxpk= 10, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1721,1722,
&end
#
# 142 TRP HD1 118 GLY HN 7.00 (# 1232:10 Unique 3.87, 4.64 A)
&rst
ixpk= 1232, nxpk= 10, iat=2091,1719, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 109 LEU MDY 108 GLU HN 7.00 (# 1234:10 Unique 5.15, 6.42 A)
&rst
ixpk= 1234, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 73 LEU MDY 108 GLU HN 5.50 (# 1235:10 Unique 4.37, 6.12 A)
&rst
ixpk= 1235, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 105 LEU MDY 108 GLU HN 7.00 (# 1236:10 Unique 4.93, 6.11 A)
&rst
ixpk= 1236, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1533,1534,1535,1537,1538,1539,
&end
#
# 0 AMB 10-2:1237 108 GLU HN 5.50 (# 1237:10 Single Ambig)
&rst
ixpk= 1237, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1587,1588,1509,1510,
&end
#
# 0 AMB 10-2:1238 108 GLU HN 5.50 (# 1238:10 Single Ambig)
&rst
ixpk= 1238, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1547,1548,1550,1551,
&end
#
# 110 LYS HN 108 GLU HN 5.50 (# 1239:10 Unique 4.23, 4.27 A)
&rst
ixpk= 1239, nxpk= 10, iat=1602,1568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 GLU HN 108 GLU HN 5.50 (# 1240:10 Unique 4.61, 4.65 A)
&rst
ixpk= 1240, nxpk= 10, iat=1543,1568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 SER HA 10 SER HN 5.50 (# 1241:10 Unique 2.76, 2.83 A)
&rst
ixpk= 1241, nxpk= 10, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLY HA+ 10 SER HN 4.50 (# 1242:10 Unique 2.16, 2.84 A)
&rst
ixpk= 1242, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 127, 128,
&end
#
# 65 ASN HD2- 10 SER HN 7.00 (# 1244:10 Unique 6.22, 7.31 A)
&rst
ixpk= 1244, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 926, 927,
&end
#
# 90 ILE HG1- 54 SER HN 4.50 (# 1245:10 Unique 1.91, 2.72 A)
&rst
ixpk= 1245, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1310,1311,
&end
#
# 53 ILE HB 54 SER HN 7.00 (# 1246:10 Unique 4.15, 4.21 A)
&rst
ixpk= 1246, nxpk= 10, iat= 768, 783, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 SER HB- 54 SER HN 3.50 (# 1247:10 Unique 2.82, 3.58 A)
&rst
ixpk= 1247, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 787, 788,
&end
#
# 54 SER HA 54 SER HN 4.50 (# 1248:10 Unique 2.89, 2.89 A)
&rst
ixpk= 1248, nxpk= 10, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ILE HN 54 SER HN 5.50 (# 1249:10 Unique 3.44, 3.68 A)
&rst
ixpk= 1249, nxpk= 10, iat=1274, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ILE HN 54 SER HN 5.50 (# 1250:10 Unique 4.06, 4.13 A)
&rst
ixpk= 1250, nxpk= 10, iat= 764, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1252 85 PHE HN 5.50 (# 1252:10 Single Ambig)
&rst
ixpk= 1252, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 699, 700, 701,1711,1712,1713,1166,1167,1168,1170,
1171,1172,
&end
#
# 114 ALA MB 85 PHE HN 5.50 (# 1253:10 Unique 2.41, 3.76 A)
&rst
ixpk= 1253, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1660,1661,1662,
&end
#
# 115 LYS HG+ 85 PHE HN 5.50 (# 1254:10 Unique 3.42, 4.54 A)
&rst
ixpk= 1254, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1673,1674,
&end
#
# 83 VAL MGY 85 PHE HN 5.50 (# 1255:10 Unique 5.28, 6.44 A)
&rst
ixpk= 1255, nxpk= 10, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 20 GLU HA 20 GLU HN 5.50 (# 1256:10 Unique 2.75, 2.76 A)
&rst
ixpk= 1256, nxpk= 10, iat= 264, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 THR MG2 20 GLU HN 7.00 (# 1257:10 Unique 3.28, 4.25 A)
&rst
ixpk= 1257, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 495, 496, 497,
&end
#
# 0 AMB 10-2:1258 0 AMB 10-1:1258 4.50 (# 1258:10 Double Ambig)
&rst
ixpk= 1258, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1064,1065, 207, 208, 298, 299,
igr2=1077, 262,
&end
#
# 75 GLU HG+ 75 GLU HN 4.50 (# 1259:10 Unique 4.40, 4.47 A)
&rst
ixpk= 1259, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1084,1085,
&end
#
# 0 AMB 10-2:1260 20 GLU HN 5.50 (# 1260:10 Single Ambig)
&rst
ixpk= 1260, nxpk= 10, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 204, 205, 317, 318, 319,
&end
#
# 75 GLU HA 75 GLU HN 3.50 (# 1261:10 Unique 2.90, 2.90 A)
&rst
ixpk= 1261, nxpk= 10, iat=1079,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 ALA HA 75 GLU HN 4.50 (# 1262:10 Unique 3.26, 3.29 A)
&rst
ixpk= 1262, nxpk= 10, iat=1033,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 GLN HN 75 GLU HN 2.80 (# 1263:10 Unique 2.54, 2.55 A)
&rst
ixpk= 1263, nxpk= 10, iat=1060,1077, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 GLN HN 75 GLU HN 2.80 (# 1264:10 Unique 2.40, 2.41 A)
&rst
ixpk= 1264, nxpk= 10, iat=1092,1077, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 LEU HN 65 ASN HN 4.50 (# 1265:10 Unique 2.40, 3.14 A)
&rst
ixpk= 1265, nxpk= 10, iat= 931, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 ASN HA 65 ASN HN 4.50 (# 1266:10 Unique 2.27, 2.75 A)
&rst
ixpk= 1266, nxpk= 10, iat= 919, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ASP HA 65 ASN HN 5.50 (# 1267:10 Unique 3.42, 3.55 A)
&rst
ixpk= 1267, nxpk= 10, iat= 907, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1268 65 ASN HN 5.50 (# 1268:10 Single Ambig)
&rst
ixpk= 1268, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 921, 922, 999,1000,
&end
#
# 80 LEU MDX 79 ASP HN 5.50 (# 1269:10 Unique 3.43, 4.69 A)
&rst
ixpk= 1269, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 79 ASP HA 79 ASP HN 3.50 (# 1270:10 Unique 2.94, 2.94 A)
&rst
ixpk= 1270, nxpk= 10, iat=1147,1145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1271 144 ASN HN 4.50 (# 1271:10 Single Ambig)
&rst
ixpk= 1271, nxpk= 10, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2179,2180, 413, 414, 415,
&end
#
# 143 VAL HB 144 ASN HN 3.50 (# 1272:10 Unique 2.36, 2.43 A)
&rst
ixpk= 1272, nxpk= 10, iat=2111,2123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 SER HA 144 ASN HN 4.50 (# 1273:10 Unique 3.53, 3.70 A)
&rst
ixpk= 1273, nxpk= 10, iat=2074,2123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1274 24 GLU HN 5.50 (# 1274:10 Single Ambig)
&rst
ixpk= 1274, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 298, 299, 466, 467, 468,
&end
#
# 35 THR MG2 24 GLU HN 7.00 (# 1276:10 Unique 5.22, 6.43 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 495, 496, 497,
&end
#
# 25 LYS HB+ 24 GLU HN 7.00 (# 1277:10 Unique 5.17, 5.84 A)
&rst
ixpk= 1277, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 342, 343,
&end
#
# 22 LEU HB- 24 GLU HN 7.00 (# 1278:10 Unique 4.93, 5.10 A)
&rst
ixpk= 1278, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 298, 299,
&end
#
# 24 GLU HB+ 24 GLU HN 2.80 (# 1279:10 Unique 2.27, 2.53 A)
&rst
ixpk= 1279, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 327, 328,
&end
#
# 0 AMB 10-2:1280 24 GLU HN 4.50 (# 1280:10 Single Ambig)
&rst
ixpk= 1280, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 330, 331, 269, 270,
&end
#
# 21 HIS HA 24 GLU HN 4.50 (# 1281:10 Unique 3.63, 3.66 A)
&rst
ixpk= 1281, nxpk= 10, iat= 279, 323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1282 24 GLU HN 5.50 (# 1282:10 Single Ambig)
&rst
ixpk= 1282, nxpk= 10, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 294, 379,
&end
#
# 23 ALA HN 24 GLU HN 3.50 (# 1283:10 Unique 2.86, 2.88 A)
&rst
ixpk= 1283, nxpk= 10, iat= 313, 323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ILE HG1- 4 ILE HN 4.50 (# 1284:10 Unique 2.97, 3.52 A)
&rst
ixpk= 1284, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 53, 54,
&end
#
# 33 THR HB 4 ILE HN 7.00 (# 1285:10 Unique 4.36, 4.45 A)
&rst
ixpk= 1285, nxpk= 10, iat= 464, 43, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1286 4 ILE HN 5.50 (# 1286:10 Single Ambig)
&rst
ixpk= 1286, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 23, 66,
&end
#
# 34 GLU HN 4 ILE HN 5.50 (# 1287:10 Unique 3.98, 4.01 A)
&rst
ixpk= 1287, nxpk= 10, iat= 474, 43, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HN 4 ILE HN 4.50 (# 1288:10 Unique 4.33, 4.37 A)
&rst
ixpk= 1288, nxpk= 10, iat= 446, 43, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 GLY HA- 91 GLY HN 3.50 (# 1289:10 Unique 2.30, 2.65 A)
&rst
ixpk= 1289, nxpk= 10, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1321,1322,
&end
#
# 90 ILE HB 91 GLY HN 7.00 (# 1291:10 Unique 3.47, 3.81 A)
&rst
ixpk= 1291, nxpk= 10, iat=1304,1319, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 77 LYS HN 76 GLN HN 2.80 (# 1292:10 Unique 2.30, 2.31 A)
&rst
ixpk= 1292, nxpk= 10, iat=1109,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1293 76 GLN HN 2.80 (# 1293:10 Single Ambig)
&rst
ixpk= 1293, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1094,1079,
&end
#
# 0 AMB 10-2:1294 76 GLN HN 4.50 (# 1294:10 Single Ambig)
&rst
ixpk= 1294, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1113,1114,1064,1065,1067,1068,
&end
#
# 72 ALA MB 76 GLN HN 5.50 (# 1295:10 Unique 4.54, 5.15 A)
&rst
ixpk= 1295, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1035,1036,1037,
&end
#
# 77 LYS HG- 76 GLN HN 5.50 (# 1296:10 Unique 4.40, 4.61 A)
&rst
ixpk= 1296, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1116,1117,
&end
#
# 56 THR MG2 56 THR HN 5.50 (# 1297:10 Unique 2.38, 3.73 A)
&rst
ixpk= 1297, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 811, 812, 813,
&end
#
# 56 THR HA 56 THR HN 4.50 (# 1298:10 Unique 2.92, 2.94 A)
&rst
ixpk= 1298, nxpk= 10, iat= 807, 805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 LEU MDY 74 GLN HN 5.50 (# 1299:10 Unique 4.63, 5.43 A)
&rst
ixpk= 1299, nxpk= 10, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 10-2:1300 0 AMB 10-1:1300 5.50 (# 1300:10 Double Ambig)
&rst
ixpk= 1300, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2146,2147,2148,2150,2151,2152, 588, 589, 590, 592,
593, 594,1764,1765,1766,1768,1769,1770,
igr2=2072,1060,
&end
#
# 0 AMB 10-2:1301 0 AMB 10-1:1301 5.50 (# 1301:10 Double Ambig)
&rst
ixpk= 1301, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
igr1= 588, 589, 590, 592, 593, 594,2113,2114,2115,2117,
2118,2119,2113,2114,2115,2117,2118,2119,1533,1534,
1535,1537,1538,1539,2055,2056,2057,2059,2060,2061,
igr2=1060,2072,
&end
#
# 0 AMB 10-2:1302 0 AMB 10-1:1302 4.50 (# 1302:10 Double Ambig)
&rst
ixpk= 1302, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2087,2088,1035,1036,1037,
igr2=2072,1060,
&end
#
# 0 AMB 10-2:1303 0 AMB 10-1:1303 5.50 (# 1303:10 Double Ambig)
&rst
ixpk= 1303, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2014,2015,1023,1024,
igr2=2072,1060,
&end
#
# 73 LEU HA 74 GLN HN 5.50 (# 1304:10 Unique 3.57, 3.57 A)
&rst
ixpk= 1304, nxpk= 10, iat=1043,1060, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLN HN 74 GLN HN 4.50 (# 1305:10 Unique 4.53, 4.54 A)
&rst
ixpk= 1305, nxpk= 10, iat=1092,1060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 GLU HN 74 GLN HN 5.50 (# 1306:10 Unique 5.01, 5.04 A)
&rst
ixpk= 1306, nxpk= 10, iat=1016,1060, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 LEU MDY 112 SER HN 7.00 (# 1307:10 Unique 5.51, 7.17 A)
&rst
ixpk= 1307, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1050,1051,1052,1054,1055,1056,
&end
#
# 114 ALA MB 112 SER HN 7.00 (# 1308:10 Unique 5.15, 6.29 A)
&rst
ixpk= 1308, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1660,1661,1662,
&end
#
# 112 SER HB+ 112 SER HN 3.50 (# 1309:10 Unique 2.32, 2.99 A)
&rst
ixpk= 1309, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1642,1643,
&end
#
# 0 AMB 10-2:1310 112 SER HN 3.50 (# 1310:10 Single Ambig)
&rst
ixpk= 1310, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1626,1604,
&end
#
# 0 AMB 10-2:1312 42 GLU HN 5.50 (# 1312:10 Single Ambig)
&rst
ixpk= 1312, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 512, 513, 514, 516, 517, 518, 588, 589, 590, 592,
593, 594, 68, 69, 70,
&end
#
# 41 LEU MDY 42 GLU HN 7.00 (# 1313:10 Unique 4.84, 6.25 A)
&rst
ixpk= 1313, nxpk= 10, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 44 LEU HN 42 GLU HN 7.00 (# 1314:10 Unique 5.01, 5.02 A)
&rst
ixpk= 1314, nxpk= 10, iat= 625, 598, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 LEU HN 42 GLU HN 5.50 (# 1315:10 Unique 3.04, 3.07 A)
&rst
ixpk= 1315, nxpk= 10, iat= 560, 598, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 SER HB+ 92 SER HN 7.00 (# 1316:10 Unique 2.26, 3.09 A)
&rst
ixpk= 1316, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1330,1331,
&end
#
# 0 AMB 10-2:1317 77 LYS HN 7.00 (# 1317:10 Single Ambig)
&rst
ixpk= 1317, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 588, 589, 590, 592, 593, 594,1166,1167,1168,1170,
1171,1172,1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 10-2:1318 77 LYS HN 4.50 (# 1318:10 Single Ambig)
&rst
ixpk= 1318, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1096,1097,1081,1082,
&end
#
# 83 VAL MGX 81 SER HN 5.50 (# 1320:10 Unique 4.30, 6.71 A)
&rst
ixpk= 1320, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU MDX 81 SER HN 4.50 (# 1321:10 Unique 4.40, 5.45 A)
&rst
ixpk= 1321, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 10-2:1322 81 SER HN 4.50 (# 1322:10 Single Ambig)
&rst
ixpk= 1322, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1191,1192,1193,1164,
&end
#
# 80 LEU HB+ 81 SER HN 4.50 (# 1323:10 Unique 4.04, 4.32 A)
&rst
ixpk= 1323, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1161,1162,
&end
#
# 58 GLY HA+ 58 GLY HN 4.50 (# 1324:10 Unique 2.31, 2.70 A)
&rst
ixpk= 1324, nxpk= 10, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 838, 839,
&end
#
# 0 AMB 10-2:1325 58 GLY HN 5.50 (# 1325:10 Single Ambig)
&rst
ixpk= 1325, nxpk= 10, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 845,1330,1331,
&end
#
# 145 LEU MDX 144 ASN HD2+ 5.50 (# 1327:10 Unique 4.46, 7.47 A)
&rst
ixpk= 1327, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2146,2147,2148,2150,2151,2152,
igr2=2132,2133,
&end
#
# 0 AMB 10-2:1331 0 AMB 10-1:1331 5.50 (# 1331:10 Double Ambig)
&rst
ixpk= 1331, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2146,2147,2148,2150,2151,2152,1802,1803,1804,
igr2=2132,2133,1824,1825,
&end
#
# 143 VAL MGX 144 ASN HD2- 4.50 (# 1332:10 Unique 4.63, 6.65 A)
&rst
ixpk= 1332, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2113,2114,2115,2117,2118,2119,
igr2=2132,2133,
&end
#
# 141 SER HA 144 ASN HD2- 5.50 (# 1333:10 Unique 2.20, 2.95 A)
&rst
ixpk= 1333, nxpk= 10, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2132,2133,
&end
#
# 129 ASP HB+ 124 ASN HD2- 4.50 (# 1334:10 Unique 1.98, 2.95 A)
&rst
ixpk= 1334, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1900,1901,
igr2=1824,1825,
&end
#
# 89 GLY HA- 124 ASN HD2- 7.00 (# 1335:10 Unique 4.75, 5.72 A)
&rst
ixpk= 1335, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1295,1296,
igr2=1824,1825,
&end
#
# 0 AMB 10-2:1336 124 ASN HD2- 4.50 (# 1336:10 Single Ambig)
&rst
ixpk= 1336, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1914,1915,1916, 242, 243, 244, 246, 247, 248,
igr2=1824,1825,
&end
#
# 0 AMB 10-2:1338 89 GLY HN 4.50 (# 1338:10 Single Ambig)
&rst
ixpk= 1338, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1809,1810,1811,1284,1285, 770, 771, 772,1313,1314,
1315,
&end
#
# 0 AMB 10-2:1339 89 GLY HN 3.50 (# 1339:10 Single Ambig)
&rst
ixpk= 1339, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1747,1748,1749,1759,1760,
&end
#
# 0 AMB 10-2:1340 89 GLY HN 7.00 (# 1340:10 Single Ambig)
&rst
ixpk= 1340, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1806,1807,1781,1782,
&end
#
# 0 AMB 10-2:1341 89 GLY HN 4.50 (# 1341:10 Single Ambig)
&rst
ixpk= 1341, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1310,1311,1268,1269,1270,
&end
#
# 0 AMB 10-2:1342 89 GLY HN 5.50 (# 1342:10 Single Ambig)
&rst
ixpk= 1342, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1778,1779,1304,
&end
#
# 89 GLY HA- 89 GLY HN 3.50 (# 1343:10 Unique 2.30, 2.58 A)
&rst
ixpk= 1343, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1295,1296,
&end
#
# 122 LYS HA 89 GLY HN 3.50 (# 1344:10 Unique 2.55, 2.95 A)
&rst
ixpk= 1344, nxpk= 10, iat=1776,1293, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 ILE HN 89 GLY HN 5.50 (# 1345:10 Unique 3.68, 3.93 A)
&rst
ixpk= 1345, nxpk= 10, iat=1796,1293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLY HA- 124 ASN HD2+ 5.50 (# 1346:10 Unique 4.75, 5.72 A)
&rst
ixpk= 1346, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1295,1296,
igr2=1824,1825,
&end
#
# 129 ASP HB+ 124 ASN HD2+ 3.50 (# 1347:10 Unique 1.98, 2.95 A)
&rst
ixpk= 1347, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1900,1901,
igr2=1824,1825,
&end
#
# 131 PRO HG+ 124 ASN HD2+ 5.50 (# 1348:10 Unique 1.93, 3.05 A)
&rst
ixpk= 1348, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1931,1932,
igr2=1824,1825,
&end
#
# 33 THR MG2 32 THR HN 5.50 (# 1349:10 Unique 4.30, 5.21 A)
&rst
ixpk= 1349, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 466, 467, 468,
&end
#
# 4 ILE MD1 32 THR HN 7.00 (# 1350:10 Unique 4.83, 5.60 A)
&rst
ixpk= 1350, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 56, 57, 58,
&end
#
# 0 AMB 10-2:1351 0 AMB 10-1:1351 5.50 (# 1351:10 Double Ambig)
&rst
ixpk= 1351, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1572,1573,1096,1097,1135,1136,
igr2=1633,1634,1104,1105,
&end
#
# 0 AMB 10-2:1352 0 AMB 10-1:1352 4.50 (# 1352:10 Double Ambig)
&rst
ixpk= 1352, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1572,1573,1096,1097,1081,1082,
igr2=1633,1634,1104,1105,
&end
#
# 72 ALA MB 76 GLN HE2- 3.50 (# 1353:10 Unique 1.94, 3.18 A)
&rst
ixpk= 1353, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1035,1036,1037,
igr2=1104,1105,
&end
#
# 108 GLU HA 111 ASN HD2+ 4.50 (# 1354:10 Unique 1.94, 2.73 A)
&rst
ixpk= 1354, nxpk= 10, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1633,1634,
&end
#
# 0 AMB 10-2:1355 0 AMB 10-1:1355 5.50 (# 1355:10 Double Ambig)
&rst
ixpk= 1355, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1592,1593,1594,1596,1597,1598, 101, 102, 103,
igr2=1104,1105,1104,1105,
&end
#
# 0 AMB 10-2:1357 0 AMB 10-1:1357 5.50 (# 1357:10 Double Ambig)
&rst
ixpk= 1357, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1096,1097,1081,1082,
igr2=1104,1105,1104,1105,
&end
#
# 0 AMB 10-2:1358 0 AMB 10-1:1358 5.50 (# 1358:10 Double Ambig)
&rst
ixpk= 1358, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 583, 584,1113,1114,
igr2=1104,1105,1633,1634,
&end
#
# 76 GLN HG+ 76 GLN HE2- 3.50 (# 1359:10 Unique 2.42, 3.08 A)
&rst
ixpk= 1359, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1099,1100,
igr2=1104,1105,
&end
#
# 146 LEU MDX 143 VAL HN 7.00 (# 1360:10 Unique 4.11, 6.51 A)
&rst
ixpk= 1360, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 0 AMB 10-2:1361 143 VAL HN 7.00 (# 1361:10 Single Ambig)
&rst
ixpk= 1361, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2067,2068,2076,2077,
&end
#
# 0 AMB 10-2:1362 143 VAL HN 5.50 (# 1362:10 Single Ambig)
&rst
ixpk= 1362, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2076,2077,
&end
#
# 141 SER HN 143 VAL HN 7.00 (# 1363:10 Unique 4.23, 4.44 A)
&rst
ixpk= 1363, nxpk= 10, iat=2072,2107, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 145 LEU HN 143 VAL HN 5.50 (# 1364:10 Unique 3.75, 3.84 A)
&rst
ixpk= 1364, nxpk= 10, iat=2137,2107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LEU MDY 143 VAL HN 5.50 (# 1366:10 Unique 4.11, 6.51 A)
&rst
ixpk= 1366, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2165,2166,2167,2169,2170,2171,
&end
#
# 96 ASP HA 97 THR HN 5.50 (# 1367:10 Unique 2.37, 2.74 A)
&rst
ixpk= 1367, nxpk= 10, iat=1399,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ASP HN 97 THR HN 5.50 (# 1370:10 Unique 1.87, 2.88 A)
&rst
ixpk= 1370, nxpk= 10, iat=1397,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 GLN HG+ 74 GLN HE2+ 3.50 (# 1371:10 Unique 2.15, 3.24 A)
&rst
ixpk= 1371, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1067,1068,
igr2=1072,1073,
&end
#
# 13 GLY HA+ 13 GLY HN 4.50 (# 1372:10 Unique 2.37, 2.75 A)
&rst
ixpk= 1372, nxpk= 10, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 178, 179,
&end
#
# 12 LEU HB+ 13 GLY HN 5.50 (# 1373:10 Unique 4.12, 4.35 A)
&rst
ixpk= 1373, nxpk= 10, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 161, 162,
&end
#
# 9 GLY HA- 13 GLY HN 2.80 (# 1374:10 Unique 2.27, 2.97 A)
&rst
ixpk= 1374, nxpk= 10, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 127, 128,
&end
#
# 0 AMB 10-2:1376 33 THR HN 7.00 (# 1376:10 Single Ambig)
&rst
ixpk= 1376, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
igr1= 85, 86, 87, 89, 90, 91, 85, 86, 87, 89,
90, 91, 49, 50, 51,
&end
#
# 0 AMB 10-2:1377 0 AMB 10-1:1377 5.50 (# 1377:10 Double Ambig)
&rst
ixpk= 1377, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 464, 541, 542, 136, 137,
igr2= 460, 176,
&end
#
# 0 AMB 10-2:1378 33 THR HN 5.50 (# 1378:10 Single Ambig)
&rst
ixpk= 1378, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 474, 426,
&end
#
# 32 THR HN 33 THR HN 5.50 (# 1379:10 Unique 4.53, 4.54 A)
&rst
ixpk= 1379, nxpk= 10, iat= 446, 460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1380 47 SER HN 4.50 (# 1380:10 Single Ambig)
&rst
ixpk= 1380, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 679,1197,
&end
#
# 0 AMB 10-2:1381 47 SER HN 4.50 (# 1381:10 Single Ambig)
&rst
ixpk= 1381, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 654, 681, 682,1159,
&end
#
# 45 PRO HB+ 47 SER HN 3.50 (# 1382:10 Unique 3.51, 4.24 A)
&rst
ixpk= 1382, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 651, 652,
&end
#
# 80 LEU MDX 47 SER HN 5.50 (# 1383:10 Unique 4.58, 6.84 A)
&rst
ixpk= 1383, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 114 ALA MB 47 SER HN 7.00 (# 1384:10 Unique 7.60, 8.62 A)
&rst
ixpk= 1384, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1660,1661,1662,
&end
#
# 0 AMB 10-2:1385 0 AMB 10-1:1385 5.50 (# 1385:10 Double Ambig)
&rst
ixpk= 1385, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 807,1728,
igr2= 926, 927,1700,1701,
&end
#
# 120 THR HA 116 GLN HE2- 4.50 (# 1386:10 Unique 2.18, 3.13 A)
&rst
ixpk= 1386, nxpk= 10, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1700,1701,
&end
#
# 0 AMB 10-2:1387 0 AMB 10-1:1387 3.50 (# 1387:10 Double Ambig)
&rst
ixpk= 1387, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1344,1345,1695,1696,
igr2=1700,1701,1700,1701,
&end
#
# 116 GLN HG- 116 GLN HE2+ 3.50 (# 1388:10 Unique 2.25, 3.09 A)
&rst
ixpk= 1388, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1695,1696,
igr2=1700,1701,
&end
#
# 87 ALA MB 116 GLN HE2- 3.50 (# 1389:10 Unique 1.95, 3.34 A)
&rst
ixpk= 1389, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1268,1269,1270,
igr2=1700,1701,
&end
#
# 0 AMB 10-2:1390 0 AMB 10-1:1390 7.00 (# 1390:10 Double Ambig)
&rst
ixpk= 1390, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
igr1=1747,1748,1749,1306,1307,1308,1310,1311,
igr2=1700,1701,1700,1701,1700,1701,
&end
#
# 66 LEU MDY 65 ASN HD2- 5.50 (# 1391:10 Unique 1.95, 4.78 A)
&rst
ixpk= 1391, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 940, 941, 942, 944, 945, 946,
igr2= 926, 927,
&end
#
# 120 THR HN 116 GLN HE2- 4.50 (# 1392:10 Unique 3.36, 3.55 A)
&rst
ixpk= 1392, nxpk= 10, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1700,1701,
&end
#
# 120 THR HN 116 GLN HE2+ 4.50 (# 1393:10 Unique 3.36, 3.55 A)
&rst
ixpk= 1393, nxpk= 10, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1700,1701,
&end
#
# 0 AMB 10-2:1394 0 AMB 10-1:1394 3.50 (# 1394:10 Double Ambig)
&rst
ixpk= 1394, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 921, 922, 787, 788,
igr2= 926, 927, 926, 927,
&end
#
# 60 GLY HA+ 65 ASN HD2+ 5.50 (# 1395:10 Unique 1.92, 3.73 A)
&rst
ixpk= 1395, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 855, 856,
igr2= 926, 927,
&end
#
# 52 VAL HN 86 GLY HN 4.50 (# 1396:10 Unique 3.36, 3.50 A)
&rst
ixpk= 1396, nxpk= 10, iat= 748,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 GLY HA+ 86 GLY HN 4.50 (# 1398:10 Unique 2.53, 2.76 A)
&rst
ixpk= 1398, nxpk= 10, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1259,1260,
&end
#
# 113 GLY HA- 113 GLY HN 2.80 (# 1399:10 Unique 2.57, 2.77 A)
&rst
ixpk= 1399, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1651,1652,
&end
#
# 0 AMB 10-2:1400 113 GLY HN 4.50 (# 1400:10 Single Ambig)
&rst
ixpk= 1400, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1642,1643,1180,1181,
&end
#
# 111 ASN HB+ 113 GLY HN 7.00 (# 1401:10 Unique 5.22, 5.48 A)
&rst
ixpk= 1401, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1628,1629,
&end
#
# 0 AMB 10-2:1403 113 GLY HN 7.00 (# 1403:10 Single Ambig)
&rst
ixpk= 1403, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1606,1607,1606,1607,
&end
#
# 80 LEU MDX 113 GLY HN 7.00 (# 1404:10 Unique 3.88, 6.19 A)
&rst
ixpk= 1404, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 80 LEU HB- 113 GLY HN 5.50 (# 1405:10 Unique 3.57, 4.57 A)
&rst
ixpk= 1405, nxpk= 10, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1161,1162,
&end
#
# 84 ARG HN 48 GLY HN 4.50 (# 1406:10 Unique 3.70, 4.09 A)
&rst
ixpk= 1406, nxpk= 10, iat=1213, 679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1407 48 GLY HN 3.50 (# 1407:10 Single Ambig)
&rst
ixpk= 1407, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 672, 673, 672, 673,
&end
#
# 0 AMB 10-2:1408 48 GLY HN 5.50 (# 1408:10 Single Ambig)
&rst
ixpk= 1408, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1220,1221,1220,1221,1217,1218,
&end
#
# 49 ILE MG2 48 GLY HN 7.00 (# 1409:10 Unique 6.75, 7.43 A)
&rst
ixpk= 1409, nxpk= 10, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 692, 693, 694,
&end
#
# 97 THR MG2 100 GLY HN 5.50 (# 1411:10 Unique 3.54, 8.48 A)
&rst
ixpk= 1411, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1415,1416,1417,
&end
#
# 59 ALA MB 60 GLY HN 5.50 (# 1413:10 Unique 2.33, 4.00 A)
&rst
ixpk= 1413, nxpk= 10, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 847, 848, 849,
&end
#
# 31 PHE HN 30 GLY HN 2.80 (# 1415:10 Unique 1.91, 1.96 A)
&rst
ixpk= 1415, nxpk= 10, iat= 426, 419, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1416 30 GLY HN 5.50 (# 1416:10 Single Ambig)
&rst
ixpk= 1416, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 430, 431, 401, 402,
&end
#
# 0 AMB 10-2:1417 30 GLY HN 5.50 (# 1417:10 Single Ambig)
&rst
ixpk= 1417, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 398, 399, 383, 384,
&end
#
# 0 AMB 10-2:1418 140 GLY HN 5.50 (# 1418:10 Single Ambig)
&rst
ixpk= 1418, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2022,2007,
&end
#
# 142 TRP HN 140 GLY HN 5.50 (# 1419:10 Unique 4.27, 4.34 A)
&rst
ixpk= 1419, nxpk= 10, iat=2083,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 GLU HA 140 GLY HN 4.50 (# 1420:10 Unique 3.48, 3.53 A)
&rst
ixpk= 1420, nxpk= 10, iat=2009,2065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1421 140 GLY HN 7.00 (# 1421:10 Single Ambig)
&rst
ixpk= 1421, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1996,1997,2111,2011,2012,
&end
#
# 0 AMB 10-2:1422 140 GLY HN 5.50 (# 1422:10 Single Ambig)
&rst
ixpk= 1422, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2055,2056,2057,2059,2060,2061,2113,2114,2115,2117,
2118,2119,2113,2114,2115,2117,2118,2119,1764,1765,
1766,1768,1769,1770,
&end
#
# 139 LEU MDX 140 GLY HN 7.00 (# 1423:10 Unique 4.46, 5.54 A)
&rst
ixpk= 1423, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2055,2056,2057,2059,2060,2061,
&end
#
# 33 THR HA 3 ASP HN 7.00 (# 1425:10 Unique 3.35, 3.49 A)
&rst
ixpk= 1425, nxpk= 10, iat= 462, 31, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1426 3 ASP HN 7.00 (# 1426:10 Single Ambig)
&rst
ixpk= 1426, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 428, 381,
&end
#
# 4 ILE MD1 3 ASP HN 7.00 (# 1427:10 Unique 5.66, 6.34 A)
&rst
ixpk= 1427, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 56, 57, 58,
&end
#
# 4 ILE HB 3 ASP HN 7.00 (# 1428:10 Unique 4.24, 4.31 A)
&rst
ixpk= 1428, nxpk= 10, iat= 47, 31, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 THR HB 6 LEU HN 7.00 (# 1429:10 Unique 3.99, 4.08 A)
&rst
ixpk= 1429, nxpk= 10, iat= 66, 76, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 8 SER HA 8 SER HN 5.50 (# 1430:10 Unique 2.94, 2.94 A)
&rst
ixpk= 1430, nxpk= 10, iat= 116, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LEU MDX 26 LEU HN 4.50 (# 1432:10 Unique 1.94, 3.86 A)
&rst
ixpk= 1432, nxpk= 10, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 369, 370, 371, 373, 374, 375,
&end
#
# 34 GLU HB+ 34 GLU HN 3.50 (# 1433:10 Unique 2.52, 2.83 A)
&rst
ixpk= 1433, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 478, 479,
&end
#
# 34 GLU HG- 34 GLU HN 7.00 (# 1434:10 Unique 4.42, 4.47 A)
&rst
ixpk= 1434, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 481, 482,
&end
#
# 0 AMB 10-2:1435 50 TRP HN 7.00 (# 1435:10 Single Ambig)
&rst
ixpk= 1435, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 686, 679,
&end
#
# 49 ILE HB 50 TRP HN 7.00 (# 1436:10 Unique 3.91, 4.07 A)
&rst
ixpk= 1436, nxpk= 10, iat= 690, 705, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 83 VAL MGX 50 TRP HN 5.50 (# 1437:10 Unique 2.57, 4.45 A)
&rst
ixpk= 1437, nxpk= 10, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 5 THR MG2 51 LEU HN 5.50 (# 1438:10 Unique 2.34, 3.29 A)
&rst
ixpk= 1438, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 68, 69, 70,
&end
#
# 109 LEU MDY 52 VAL HN 7.00 (# 1439:10 Unique 5.65, 7.26 A)
&rst
ixpk= 1439, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1592,1593,1594,1596,1597,1598,
&end
#
# 51 LEU HB+ 52 VAL HN 7.00 (# 1440:10 Unique 3.26, 3.85 A)
&rst
ixpk= 1440, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 733, 734,
&end
#
# 0 AMB 10-2:1441 52 VAL HN 7.00 (# 1441:10 Single Ambig)
&rst
ixpk= 1441, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1259,1260,1241,1242,
&end
#
# 0 AMB 10-2:1442 52 VAL HN 7.00 (# 1442:10 Single Ambig)
&rst
ixpk= 1442, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 705, 76,
&end
#
# 0 AMB 10-2:1443 56 THR HN 7.00 (# 1443:10 Single Ambig)
&rst
ixpk= 1443, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1306,1307,1308,1921,1922,1923,
&end
#
# 90 ILE HB 56 THR HN 7.00 (# 1444:10 Unique 4.95, 5.18 A)
&rst
ixpk= 1444, nxpk= 10, iat=1304, 805, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 THR HA 57 HIS HN 3.50 (# 1446:10 Unique 2.98, 3.32 A)
&rst
ixpk= 1446, nxpk= 10, iat= 807, 819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1447 57 HIS HN 7.00 (# 1447:10 Single Ambig)
&rst
ixpk= 1447, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1321,1322, 809,
&end
#
# 0 AMB 10-2:1448 57 HIS HN 5.50 (# 1448:10 Single Ambig)
&rst
ixpk= 1448, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 823, 824, 823, 824,
&end
#
# 56 THR MG2 57 HIS HN 5.50 (# 1449:10 Unique 3.89, 4.89 A)
&rst
ixpk= 1449, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 811, 812, 813,
&end
#
# 90 ILE HG1- 57 HIS HN 7.00 (# 1450:10 Unique 6.35, 7.10 A)
&rst
ixpk= 1450, nxpk= 10, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1310,1311,
&end
#
# 12 LEU HB+ 69 PHE HN 7.00 (# 1451:10 Unique 4.96, 6.49 A)
&rst
ixpk= 1451, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 161, 162,
&end
#
# 68 PRO HD+ 69 PHE HN 5.50 (# 1452:10 Unique 2.65, 3.26 A)
&rst
ixpk= 1452, nxpk= 10, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 962, 963,
&end
#
# 0 AMB 10-2:1453 0 AMB 10-1:1453 2.80 (# 1453:10 Double Ambig)
&rst
ixpk= 1453, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 266, 267,1081,1082,
igr2= 262,1077,
&end
#
# 41 LEU MDX 76 GLN HN 7.00 (# 1454:10 Unique 5.95, 7.39 A)
&rst
ixpk= 1454, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 588, 589, 590, 592, 593, 594,
&end
#
# 73 LEU HA 76 GLN HN 7.00 (# 1455:10 Unique 3.75, 3.81 A)
&rst
ixpk= 1455, nxpk= 10, iat=1043,1092, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1456 76 GLN HN 4.50 (# 1456:10 Single Ambig)
&rst
ixpk= 1456, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1033,1111,
&end
#
# 77 LYS HG+ 77 LYS HN 3.50 (# 1457:10 Unique 3.03, 3.23 A)
&rst
ixpk= 1457, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1116,1117,
&end
#
# 77 LYS HD+ 77 LYS HN 7.00 (# 1458:10 Unique 5.21, 5.24 A)
&rst
ixpk= 1458, nxpk= 10, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1119,1120,
&end
#
# 84 ARG HD+ 84 ARG HN 7.00 (# 1459:10 Unique 2.69, 4.03 A)
&rst
ixpk= 1459, nxpk= 10, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1223,1224,
&end
#
# 92 SER HB- 92 SER HN 5.50 (# 1460:10 Unique 2.26, 3.09 A)
&rst
ixpk= 1460, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1330,1331,
&end
#
# 97 THR HB 97 THR HN 7.00 (# 1461:10 Unique 3.15, 3.54 A)
&rst
ixpk= 1461, nxpk= 10, iat=1413,1409, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 105 LEU MDY 105 LEU HN 7.00 (# 1462:10 Unique 3.58, 4.94 A)
&rst
ixpk= 1462, nxpk= 10, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1533,1534,1535,1537,1538,1539,
&end
#
# 108 GLU HB+ 108 GLU HN 2.80 (# 1463:10 Unique 2.26, 2.93 A)
&rst
ixpk= 1463, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1572,1573,
&end
#
# 0 AMB 10-2:1464 110 LYS HN 7.00 (# 1464:10 Single Ambig)
&rst
ixpk= 1464, nxpk= 10, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1615,1616,1615,1616,
&end
#
# 0 AMB 10-2:1465 112 SER HN 7.00 (# 1465:10 Single Ambig)
&rst
ixpk= 1465, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1651,1652,1111,
&end
#
# 115 LYS HA 115 LYS HN 3.50 (# 1466:10 Unique 2.94, 2.95 A)
&rst
ixpk= 1466, nxpk= 10, iat=1668,1666, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1467 141 SER HN 2.80 (# 1467:10 Single Ambig)
&rst
ixpk= 1467, nxpk= 10, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2076,2077,2076,2077,
&end
#
# 147 LYS HB+ 146 LEU HN 4.50 (# 1468:10 Unique 4.09, 5.08 A)
&rst
ixpk= 1468, nxpk= 10, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2179,2180,
&end
#
# 0 AMB 10-2:1469 147 LYS HN 3.50 (# 1469:10 Single Ambig)
&rst
ixpk= 1469, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2185,2186,2160,2161,
&end
#
# 0 AMB 10-2:1470 147 LYS HN 3.50 (# 1470:10 Single Ambig)
&rst
ixpk= 1470, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2185,2186,2160,2161,
&end
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