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 |
|
|
501284 |
2l19   |
cing | 1-original | 4 | AMBER | distance | NOE | ambi |
#
# 33 THR HN 33 THR HB 3.50 (# 0:25 Unique 2.41, 2.49 A)
&rst
ixpk= 0, nxpk= 25, iat= 503, 507, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 73 TYR HE 33 THR HB 3.50 (# 1:25 Unique 2.13, 3.99 A)
&rst
ixpk= 1, nxpk= 25, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1075,1080,
&end
#
# 25 LEU HN 24 THR HB 2.80 (# 3:25 Unique 2.36, 2.55 A)
&rst
ixpk= 3, nxpk= 25, iat= 393, 383, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 THR HN 24 THR HB 2.80 (# 4:25 Unique 2.02, 2.07 A)
&rst
ixpk= 4, nxpk= 25, iat= 379, 383, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 115 VAL HN 114 THR HB 2.80 (# 5:25 Unique 2.51, 2.62 A)
&rst
ixpk= 5, nxpk= 25, iat=1714,1704, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 114 THR HN 114 THR HB 2.80 (# 6:25 Unique 2.07, 2.12 A)
&rst
ixpk= 6, nxpk= 25, iat=1700,1704, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 119 VAL HN 119 VAL HA 3.50 (# 8:25 Unique 2.79, 2.83 A)
&rst
ixpk= 8, nxpk= 25, iat=1778,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 THR HN 114 THR HA 3.50 (# 9:25 Unique 2.81, 2.83 A)
&rst
ixpk= 9, nxpk= 25, iat=1700,1702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 GLN HN 115 VAL HA 3.50 (# 10:25 Unique 3.02, 3.16 A)
&rst
ixpk= 10, nxpk= 25, iat=1761,1716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:11 111 VAL HA 3.50 (# 11:25 Single Ambig)
&rst
ixpk= 11, nxpk= 25, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1700,1656,
&end
#
# 111 VAL HN 111 VAL HA 3.50 (# 12:25 Unique 2.87, 2.88 A)
&rst
ixpk= 12, nxpk= 25, iat=1640,1642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:13 45 THR HA 3.50 (# 13:25 Single Ambig)
&rst
ixpk= 13, nxpk= 25, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 716, 687,
&end
#
# 131 SER HN 131 SER HB+ 3.50 (# 14:25 Unique 2.31, 2.95 A)
&rst
ixpk= 14, nxpk= 25, iat=1989, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1993,1994,
&end
#
# 24 THR HN 24 THR HA 2.80 (# 15:25 Unique 2.79, 2.83 A)
&rst
ixpk= 15, nxpk= 25, iat= 379, 381, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 131 SER HN 131 SER HB- 3.50 (# 16:25 Unique 2.31, 2.95 A)
&rst
ixpk= 16, nxpk= 25, iat=1989, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1993,1994,
&end
#
# 127 ILE HN 127 ILE HA 3.50 (# 17:25 Unique 2.86, 2.88 A)
&rst
ixpk= 17, nxpk= 25, iat=1919,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:18 0 AMB 25-1:18 3.50 (# 18:25 Double Ambig)
&rst
ixpk= 18, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 697,1970,
igr2= 699,1921,
&end
#
# 109 LEU HN 108 SER HB- 3.50 (# 20:25 Unique 2.43, 3.12 A)
&rst
ixpk= 20, nxpk= 25, iat=1606, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1599,1600,
&end
#
# 108 SER HN 108 SER HB- 2.80 (# 21:25 Unique 2.47, 3.05 A)
&rst
ixpk= 21, nxpk= 25, iat=1595, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1599,1600,
&end
#
# 108 SER HN 108 SER HB+ 2.80 (# 22:25 Unique 2.47, 3.05 A)
&rst
ixpk= 22, nxpk= 25, iat=1595, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1599,1600,
&end
#
# 68 PHE HD 65 ILE HA 3.50 (# 23:25 Unique 2.11, 4.17 A)
&rst
ixpk= 23, nxpk= 25, iat= -1, 951, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1005,1013,
&end
#
# 0 AMB 25-2:25 0 AMB 25-1:25 3.50 (# 25:25 Double Ambig)
&rst
ixpk= 25, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 591, 602,
igr2= 584, 585, 584, 585,
&end
#
# 115 VAL HN 112 PHE HA 4.50 (# 26:25 Unique 3.42, 3.56 A)
&rst
ixpk= 26, nxpk= 25, iat=1714,1658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 PHE HN 112 PHE HA 3.50 (# 27:25 Unique 2.79, 2.86 A)
&rst
ixpk= 27, nxpk= 25, iat=1656,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 SER HN 58 SER HB+ 2.80 (# 28:25 Unique 2.42, 2.94 A)
&rst
ixpk= 28, nxpk= 25, iat= 863, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 867, 868,
&end
#
# 21 PHE HD 21 PHE HA 2.80 (# 29:25 Unique 2.07, 3.24 A)
&rst
ixpk= 29, nxpk= 25, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 335, 343,
&end
#
# 43 HIS HN 42 VAL HA 2.80 (# 30:25 Unique 2.31, 2.58 A)
&rst
ixpk= 30, nxpk= 25, iat= 642, 628, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 SER HN 58 SER HA 2.80 (# 31:25 Unique 2.65, 2.80 A)
&rst
ixpk= 31, nxpk= 25, iat= 863, 865, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 THR HN 33 THR HA 2.80 (# 33:25 Unique 2.92, 2.95 A)
&rst
ixpk= 33, nxpk= 25, iat= 503, 505, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 SER HN 33 THR HA 3.50 (# 34:25 Unique 2.43, 3.34 A)
&rst
ixpk= 34, nxpk= 25, iat= 517, 505, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:35 130 ILE HA 3.50 (# 35:25 Single Ambig)
&rst
ixpk= 35, nxpk= 25, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1970,1989,
&end
#
# 0 AMB 25-2:36 113 ARG HA 3.50 (# 36:25 Single Ambig)
&rst
ixpk= 36, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1676,1730,
&end
#
# 120 LYS HN 120 LYS HA 3.50 (# 37:25 Unique 2.71, 2.77 A)
&rst
ixpk= 37, nxpk= 25, iat=1794,1796, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 GLN HN 92 THR HA 3.50 (# 38:25 Unique 2.06, 2.93 A)
&rst
ixpk= 38, nxpk= 25, iat=1360,1348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 THR HN 92 THR HA 3.50 (# 39:25 Unique 2.94, 2.96 A)
&rst
ixpk= 39, nxpk= 25, iat=1346,1348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 131 SER HN 131 SER HA 2.80 (# 41:25 Unique 2.86, 2.89 A)
&rst
ixpk= 41, nxpk= 25, iat=1989,1991, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 56 ASP HN 55 ILE HA 2.80 (# 42:25 Unique 2.04, 2.18 A)
&rst
ixpk= 42, nxpk= 25, iat= 832, 815, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 124 GLU HN 124 GLU HA 2.80 (# 43:25 Unique 2.83, 2.84 A)
&rst
ixpk= 43, nxpk= 25, iat=1871,1873, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 125 ASN HN 124 GLU HA 3.50 (# 44:25 Unique 3.54, 3.55 A)
&rst
ixpk= 44, nxpk= 25, iat=1886,1873, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 VAL HN 75 VAL HA 2.80 (# 45:25 Unique 2.13, 2.19 A)
&rst
ixpk= 45, nxpk= 25, iat=1114,1100, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 96 PHE HN 95 ILE HA 2.80 (# 46:25 Unique 2.14, 2.21 A)
&rst
ixpk= 46, nxpk= 25, iat=1411,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 VAL HN 91 VAL HA 2.80 (# 47:25 Unique 2.85, 2.88 A)
&rst
ixpk= 47, nxpk= 25, iat=1330,1332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 GLU HN 51 GLU HA 2.80 (# 48:25 Unique 2.82, 2.84 A)
&rst
ixpk= 48, nxpk= 25, iat= 760, 762, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 19 GLU HN 19 GLU HA 3.50 (# 49:25 Unique 2.84, 2.87 A)
&rst
ixpk= 49, nxpk= 25, iat= 305, 307, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 GLU HN 110 GLU HA 2.80 (# 50:25 Unique 2.79, 2.81 A)
&rst
ixpk= 50, nxpk= 25, iat=1625,1627, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 55 ILE HN 51 GLU HA 2.80 (# 51:25 Unique 2.40, 2.68 A)
&rst
ixpk= 51, nxpk= 25, iat= 813, 762, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 GLU HN 51 GLU HA 3.50 (# 52:25 Unique 3.41, 3.47 A)
&rst
ixpk= 52, nxpk= 25, iat= 775, 762, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PHE HD 19 GLU HA 2.80 (# 53:25 Unique 2.63, 4.05 A)
&rst
ixpk= 53, nxpk= 25, iat= -1, 307, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 106, 114,
&end
#
# 90 TRP HN 90 TRP HA 3.50 (# 54:25 Unique 2.90, 2.92 A)
&rst
ixpk= 54, nxpk= 25, iat=1306,1308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HE3 90 TRP HA 4.50 (# 55:25 Unique 2.58, 2.76 A)
&rst
ixpk= 55, nxpk= 25, iat=1325,1308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 LYS HN 23 LYS HA 3.50 (# 56:25 Unique 2.84, 2.88 A)
&rst
ixpk= 56, nxpk= 25, iat= 357, 359, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 VAL HN 52 GLU HA 3.50 (# 57:25 Unique 3.45, 3.53 A)
&rst
ixpk= 57, nxpk= 25, iat= 790, 777, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 GLU HN 52 GLU HA 2.80 (# 58:25 Unique 2.79, 2.82 A)
&rst
ixpk= 58, nxpk= 25, iat= 775, 777, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 ASP HN 73 TYR HA 2.80 (# 59:25 Unique 2.09, 2.29 A)
&rst
ixpk= 59, nxpk= 25, iat=1086,1067, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 121 GLU HN 121 GLU HA 2.80 (# 60:25 Unique 2.80, 2.81 A)
&rst
ixpk= 60, nxpk= 25, iat=1816,1818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 124 GLU HN 121 GLU HA 4.50 (# 61:25 Unique 3.37, 3.54 A)
&rst
ixpk= 61, nxpk= 25, iat=1871,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 SER HN 39 SER HA 3.50 (# 62:25 Unique 2.05, 2.39 A)
&rst
ixpk= 62, nxpk= 25, iat= 591, 582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 GLN HN 118 GLN HA 3.50 (# 63:25 Unique 2.78, 2.83 A)
&rst
ixpk= 63, nxpk= 25, iat=1761,1763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 GLU HN 118 GLN HA 4.50 (# 64:25 Unique 3.75, 4.15 A)
&rst
ixpk= 64, nxpk= 25, iat=1816,1763, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 GLU HN 66 GLU HA 2.80 (# 65:25 Unique 2.76, 2.82 A)
&rst
ixpk= 65, nxpk= 25, iat= 968, 970, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASN HN 66 GLU HA 3.50 (# 66:25 Unique 3.41, 3.47 A)
&rst
ixpk= 66, nxpk= 25, iat= 983, 970, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 122 ARG HN 122 ARG HA 3.50 (# 67:25 Unique 2.85, 2.88 A)
&rst
ixpk= 67, nxpk= 25, iat=1831,1833, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 129 LYS HN 129 LYS HA 2.80 (# 68:25 Unique 2.84, 2.88 A)
&rst
ixpk= 68, nxpk= 25, iat=1948,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 126 LEU HN 126 LEU HA 3.50 (# 69:25 Unique 2.79, 2.81 A)
&rst
ixpk= 69, nxpk= 25, iat=1900,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:70 40 SER HA 3.50 (# 70:25 Single Ambig)
&rst
ixpk= 70, nxpk= 25, iat= -1, 593, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 602, 591,
&end
#
# 109 LEU HN 108 SER HA 2.80 (# 71:25 Unique 2.24, 2.34 A)
&rst
ixpk= 71, nxpk= 25, iat=1606,1597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 108 SER HN 108 SER HA 2.80 (# 72:25 Unique 2.73, 2.80 A)
&rst
ixpk= 72, nxpk= 25, iat=1595,1597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 105 ASP HN 105 ASP HA 3.50 (# 73:25 Unique 2.56, 2.78 A)
&rst
ixpk= 73, nxpk= 25, iat=1559,1561, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 GLN HN 60 GLN HA 3.50 (# 75:25 Unique 2.78, 2.87 A)
&rst
ixpk= 75, nxpk= 25, iat= 881, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:76 49 MET HA 3.50 (# 76:25 Single Ambig)
&rst
ixpk= 76, nxpk= 25, iat= -1, 728, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 726,1743,
&end
#
# 61 THR HN 60 GLN HA 3.50 (# 77:25 Unique 1.99, 2.24 A)
&rst
ixpk= 77, nxpk= 25, iat= 898, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ASN HN 125 ASN HA 2.80 (# 78:25 Unique 2.81, 2.83 A)
&rst
ixpk= 78, nxpk= 25, iat=1886,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:79 125 ASN HA 3.50 (# 79:25 Single Ambig)
&rst
ixpk= 79, nxpk= 25, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1938,1948,
&end
#
# 78 SER HN 77 ILE HA 2.80 (# 80:25 Unique 2.17, 2.25 A)
&rst
ixpk= 80, nxpk= 25, iat=1149,1132, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 101 LEU HN 100 GLN HA 3.50 (# 81:25 Unique 2.16, 2.32 A)
&rst
ixpk= 81, nxpk= 25, iat=1499,1484, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 GLU HN 102 GLU HA 2.80 (# 82:25 Unique 2.83, 2.89 A)
&rst
ixpk= 82, nxpk= 25, iat=1518,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 ASP HN 102 GLU HA 3.50 (# 83:25 Unique 2.20, 2.82 A)
&rst
ixpk= 83, nxpk= 25, iat=1533,1520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 2 LYS HN 1 MET HA 2.80 (# 85:25 Unique 2.29, 2.39 A)
&rst
ixpk= 85, nxpk= 25, iat= 21, 6, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 GLN HE2+ 71 ASP HA 3.50 (# 86:25 Unique 2.40, 3.55 A)
&rst
ixpk= 86, nxpk= 25, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1372,1373,
&end
#
# 93 GLN HE2- 71 ASP HA 2.80 (# 87:25 Unique 2.40, 3.55 A)
&rst
ixpk= 87, nxpk= 25, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1372,1373,
&end
#
# 42 VAL HN 41 ARG HA 2.80 (# 88:25 Unique 2.29, 2.55 A)
&rst
ixpk= 88, nxpk= 25, iat= 626, 604, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 ASP HN 71 ASP HA 2.80 (# 90:25 Unique 2.74, 2.77 A)
&rst
ixpk= 90, nxpk= 25, iat=1041,1043, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 39 SER HN 38 GLU HA 3.50 (# 91:25 Unique 2.12, 2.89 A)
&rst
ixpk= 91, nxpk= 25, iat= 580, 567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 GLU HN 38 GLU HA 3.50 (# 92:25 Unique 2.21, 2.66 A)
&rst
ixpk= 92, nxpk= 25, iat= 565, 567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 ASP HN 97 GLU HA 2.80 (# 93:25 Unique 2.35, 2.49 A)
&rst
ixpk= 93, nxpk= 25, iat=1446,1433, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:94 128 ALA HA 2.80 (# 94:25 Single Ambig)
&rst
ixpk= 94, nxpk= 25, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1938,1948,
&end
#
# 94 GLU HN 93 GLN HA 2.80 (# 95:25 Unique 2.59, 2.71 A)
&rst
ixpk= 95, nxpk= 25, iat=1377,1362, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 108 SER HN 107 GLN HA 2.80 (# 96:25 Unique 2.50, 2.60 A)
&rst
ixpk= 96, nxpk= 25, iat=1595,1580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 27 ALA HN 27 ALA HA 2.80 (# 97:25 Unique 2.63, 2.75 A)
&rst
ixpk= 97, nxpk= 25, iat= 419, 421, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 PHE HN 67 ASN HA 3.50 (# 98:25 Unique 3.29, 3.36 A)
&rst
ixpk= 98, nxpk= 25, iat= 997, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 ASN HN 67 ASN HA 2.80 (# 99:25 Unique 2.80, 2.87 A)
&rst
ixpk= 99, nxpk= 25, iat= 983, 985, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLU HN 101 LEU HA 2.80 (# 100:25 Unique 2.09, 2.24 A)
&rst
ixpk= 100, nxpk= 25, iat=1518,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 ASP HN 103 ASP HA 2.80 (# 102:25 Unique 2.18, 2.62 A)
&rst
ixpk= 102, nxpk= 25, iat=1533,1535, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 20 GLY HN 20 GLY HA+ 2.80 (# 103:25 Unique 2.27, 2.55 A)
&rst
ixpk= 103, nxpk= 25, iat= 320, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 322, 323,
&end
#
# 20 GLY HN 20 GLY HA- 2.80 (# 104:25 Unique 2.27, 2.55 A)
&rst
ixpk= 104, nxpk= 25, iat= 320, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 322, 323,
&end
#
# 0 AMB 25-2:105 117 GLY HA- 2.80 (# 105:25 Single Ambig)
&rst
ixpk= 105, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1754,1761,
igr2=1756,1757,
&end
#
# 0 AMB 25-2:106 0 AMB 25-1:106 2.80 (# 106:25 Double Ambig)
&rst
ixpk= 106, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1754,1761,
igr2=1756,1757,1756,1757,
&end
#
# 54 GLY HN 54 GLY HA- 2.80 (# 107:25 Unique 2.25, 2.60 A)
&rst
ixpk= 107, nxpk= 25, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 808, 809,
&end
#
# 54 GLY HN 54 GLY HA+ 2.80 (# 108:25 Unique 2.25, 2.60 A)
&rst
ixpk= 108, nxpk= 25, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 808, 809,
&end
#
# 0 AMB 25-2:109 0 AMB 25-1:109 2.80 (# 109:25 Double Ambig)
&rst
ixpk= 109, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 412, 615,
igr2= 414, 415, 876, 877,
&end
#
# 26 GLY HN 26 GLY HA- 2.80 (# 110:25 Unique 2.23, 2.59 A)
&rst
ixpk= 110, nxpk= 25, iat= 412, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 414, 415,
&end
#
# 36 GLY HN 36 GLY HA- 2.80 (# 111:25 Unique 2.27, 2.68 A)
&rst
ixpk= 111, nxpk= 25, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 541, 542,
&end
#
# 74 ASP HN 74 ASP HB- 3.50 (# 112:25 Unique 2.37, 2.71 A)
&rst
ixpk= 112, nxpk= 25, iat=1086, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1090,1091,
&end
#
# 75 VAL HN 74 ASP HB- 3.50 (# 113:25 Unique 2.59, 3.38 A)
&rst
ixpk= 113, nxpk= 25, iat=1098, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1090,1091,
&end
#
# 98 ASP HN 98 ASP HB- 3.50 (# 114:25 Unique 2.78, 3.40 A)
&rst
ixpk= 114, nxpk= 25, iat=1446, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1450,1451,
&end
#
# 98 ASP HN 98 ASP HB+ 3.50 (# 115:25 Unique 2.78, 3.40 A)
&rst
ixpk= 115, nxpk= 25, iat=1446, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1450,1451,
&end
#
# 68 PHE HD 68 PHE HB+ 3.50 (# 117:25 Unique 2.29, 3.05 A)
&rst
ixpk= 117, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1005,1013,
igr2=1001,1002,
&end
#
# 68 PHE HD 68 PHE HB- 2.80 (# 118:25 Unique 2.29, 3.05 A)
&rst
ixpk= 118, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1005,1013,
igr2=1001,1002,
&end
#
# 63 ASP HN 63 ASP HB+ 3.50 (# 120:25 Unique 2.12, 3.04 A)
&rst
ixpk= 120, nxpk= 25, iat= 923, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 927, 928,
&end
#
# 68 PHE HZ 63 ASP HB+ 3.50 (# 121:25 Unique 2.30, 3.72 A)
&rst
ixpk= 121, nxpk= 25, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 927, 928,
&end
#
# 31 ALA HN 30 ILE HB 3.50 (# 122:25 Unique 2.51, 2.57 A)
&rst
ixpk= 122, nxpk= 25, iat= 477, 462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 PHE HD 96 PHE HB+ 3.50 (# 123:25 Unique 2.23, 3.09 A)
&rst
ixpk= 123, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1419,1427,
igr2=1415,1416,
&end
#
# 96 PHE HD 96 PHE HB- 3.50 (# 124:25 Unique 2.23, 3.09 A)
&rst
ixpk= 124, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1419,1427,
igr2=1415,1416,
&end
#
# 0 AMB 25-2:125 0 AMB 25-1:125 3.50 (# 125:25 Double Ambig)
&rst
ixpk= 125, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1533, 239,
igr2=1537,1538,1537,1538,
&end
#
# 0 AMB 25-2:126 103 ASP HB- 3.50 (# 126:25 Single Ambig)
&rst
ixpk= 126, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1533, 239,
igr2=1537,1538,
&end
#
# 56 ASP HN 56 ASP HB+ 2.80 (# 127:25 Unique 2.20, 2.75 A)
&rst
ixpk= 127, nxpk= 25, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 836, 837,
&end
#
# 56 ASP HN 56 ASP HB- 2.80 (# 128:25 Unique 2.20, 2.75 A)
&rst
ixpk= 128, nxpk= 25, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 836, 837,
&end
#
# 55 ILE HN 55 ILE HB 3.50 (# 129:25 Unique 2.12, 2.24 A)
&rst
ixpk= 129, nxpk= 25, iat= 813, 817, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:132 0 AMB 25-1:132 2.80 (# 132:25 Double Ambig)
&rst
ixpk= 132, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1026,1027,1041,
igr2=1045,1046,1045,1046,
&end
#
# 72 ASP HN 71 ASP HB- 3.50 (# 133:25 Unique 2.51, 3.48 A)
&rst
ixpk= 133, nxpk= 25, iat=1053, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1045,1046,
&end
#
# 0 AMB 25-2:134 71 ASP HB- 2.80 (# 134:25 Single Ambig)
&rst
ixpk= 134, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1026,1027,1041,
igr2=1045,1046,
&end
#
# 73 TYR HD 73 TYR HB+ 2.80 (# 135:25 Unique 2.32, 3.09 A)
&rst
ixpk= 135, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1073,1082,
igr2=1069,1070,
&end
#
# 69 ASN HN 69 ASN HB+ 3.50 (# 136:25 Unique 2.64, 3.01 A)
&rst
ixpk= 136, nxpk= 25, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1021,1022,
&end
#
# 0 AMB 25-2:137 0 AMB 25-1:137 3.50 (# 137:25 Double Ambig)
&rst
ixpk= 137, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1026,1027,1041,
igr2=1021,1022,1021,1022,
&end
#
# 105 ASP HN 105 ASP HB+ 2.80 (# 138:25 Unique 2.27, 2.51 A)
&rst
ixpk= 138, nxpk= 25, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1563,1564,
&end
#
# 69 ASN HN 69 ASN HB- 2.80 (# 139:25 Unique 2.64, 3.01 A)
&rst
ixpk= 139, nxpk= 25, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1021,1022,
&end
#
# 0 AMB 25-2:140 69 ASN HB- 4.50 (# 140:25 Single Ambig)
&rst
ixpk= 140, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1026,1027,1041,
igr2=1021,1022,
&end
#
# 105 ASP HN 105 ASP HB- 3.50 (# 141:25 Unique 2.27, 2.51 A)
&rst
ixpk= 141, nxpk= 25, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1563,1564,
&end
#
# 21 PHE HD 21 PHE HB+ 3.50 (# 142:25 Unique 2.28, 3.08 A)
&rst
ixpk= 142, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 335, 343,
igr2= 331, 332,
&end
#
# 21 PHE HD 21 PHE HB- 3.50 (# 143:25 Unique 2.28, 3.08 A)
&rst
ixpk= 143, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 335, 343,
igr2= 331, 332,
&end
#
# 65 ILE HN 65 ILE HB 3.50 (# 144:25 Unique 2.07, 2.23 A)
&rst
ixpk= 144, nxpk= 25, iat= 949, 953, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ASN HN 125 ASN HB- 2.80 (# 145:25 Unique 2.14, 2.57 A)
&rst
ixpk= 145, nxpk= 25, iat=1886, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1890,1891,
&end
#
# 85 ASN HD2+ 85 ASN HB+ 5.50 (# 146:25 Unique 2.34, 3.30 A)
&rst
ixpk= 146, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1239,1240,
igr2=1234,1235,
&end
#
# 125 ASN HN 125 ASN HB+ 2.80 (# 147:25 Unique 2.14, 2.57 A)
&rst
ixpk= 147, nxpk= 25, iat=1886, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1890,1891,
&end
#
# 125 ASN HD2+ 125 ASN HB+ 3.50 (# 148:25 Unique 2.29, 3.41 A)
&rst
ixpk= 148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1895,1896,
igr2=1890,1891,
&end
#
# 48 ALA HN 47 ILE HB 2.80 (# 149:25 Unique 2.78, 2.81 A)
&rst
ixpk= 149, nxpk= 25, iat= 716, 701, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 124 GLU HN 124 GLU HG+ 3.50 (# 150:25 Unique 2.56, 3.21 A)
&rst
ixpk= 150, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1878,1879,
&end
#
# 124 GLU HN 124 GLU HG- 2.80 (# 151:25 Unique 2.56, 3.21 A)
&rst
ixpk= 151, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1878,1879,
&end
#
# 128 ALA HN 127 ILE HB 3.50 (# 152:25 Unique 2.44, 2.58 A)
&rst
ixpk= 152, nxpk= 25, iat=1938,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 ILE HN 127 ILE HB 2.80 (# 153:25 Unique 2.21, 2.26 A)
&rst
ixpk= 153, nxpk= 25, iat=1919,1923, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASN HN 67 ASN HB- 3.50 (# 154:25 Unique 2.31, 2.60 A)
&rst
ixpk= 154, nxpk= 25, iat= 983, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 987, 988,
&end
#
# 0 AMB 25-2:155 67 ASN HB- 4.50 (# 155:25 Single Ambig)
&rst
ixpk= 155, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 992, 993,1007,1011,
igr2= 987, 988,
&end
#
# 67 ASN HN 67 ASN HB+ 2.80 (# 156:25 Unique 2.31, 2.60 A)
&rst
ixpk= 156, nxpk= 25, iat= 983, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 987, 988,
&end
#
# 0 AMB 25-2:157 0 AMB 25-1:157 3.50 (# 157:25 Double Ambig)
&rst
ixpk= 157, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 992, 993,1007,1011,
igr2= 987, 988, 987, 988,
&end
#
# 52 GLU HN 52 GLU HG+ 2.80 (# 158:25 Unique 1.85, 2.46 A)
&rst
ixpk= 158, nxpk= 25, iat= 775, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 782, 783,
&end
#
# 52 GLU HN 52 GLU HG- 2.80 (# 159:25 Unique 1.85, 2.46 A)
&rst
ixpk= 159, nxpk= 25, iat= 775, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 782, 783,
&end
#
# 110 GLU HN 110 GLU HG+ 4.50 (# 160:25 Unique 1.92, 3.19 A)
&rst
ixpk= 160, nxpk= 25, iat=1625, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1632,1633,
&end
#
# 14 ARG HE 14 ARG HB- 3.50 (# 161:25 Unique 2.39, 3.68 A)
&rst
ixpk= 161, nxpk= 25, iat= 239, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 230, 231,
&end
#
# 66 GLU HN 66 GLU HG+ 3.50 (# 162:25 Unique 1.83, 3.05 A)
&rst
ixpk= 162, nxpk= 25, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 975, 976,
&end
#
# 66 GLU HN 66 GLU HG- 3.50 (# 163:25 Unique 1.83, 3.05 A)
&rst
ixpk= 163, nxpk= 25, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 975, 976,
&end
#
# 0 AMB 25-2:164 0 AMB 25-1:164 3.50 (# 164:25 Double Ambig)
&rst
ixpk= 164, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 239,1411,
igr2= 230, 231,1438,1439,
&end
#
# 51 GLU HN 51 GLU HG+ 4.50 (# 165:25 Unique 2.79, 4.31 A)
&rst
ixpk= 165, nxpk= 25, iat= 760, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 767, 768,
&end
#
# 0 AMB 25-2:166 0 AMB 25-1:166 4.50 (# 166:25 Double Ambig)
&rst
ixpk= 166, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1590,1591,1816,
igr2=1525,1526,1823,1824,
&end
#
# 102 GLU HN 102 GLU HG+ 3.50 (# 167:25 Unique 2.18, 3.24 A)
&rst
ixpk= 167, nxpk= 25, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1525,1526,
&end
#
# 97 GLU HN 97 GLU HG+ 4.50 (# 168:25 Unique 2.37, 3.82 A)
&rst
ixpk= 168, nxpk= 25, iat=1431, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1438,1439,
&end
#
# 0 AMB 25-2:169 0 AMB 25-1:169 3.50 (# 169:25 Double Ambig)
&rst
ixpk= 169, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 305,1031, 278,
igr2= 312, 313,1298,1299, 312, 313,
&end
#
# 102 GLU HN 102 GLU HG- 3.50 (# 170:25 Unique 2.18, 3.24 A)
&rst
ixpk= 170, nxpk= 25, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1525,1526,
&end
#
# 0 AMB 25-2:171 0 AMB 25-1:171 2.80 (# 171:25 Double Ambig)
&rst
ixpk= 171, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1=1031,1411, 278,1533,
igr2=1298,1299,1438,1439, 312, 313,1525,1526,
&end
#
# 0 AMB 25-2:172 0 AMB 25-1:172 3.50 (# 172:25 Double Ambig)
&rst
ixpk= 172, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 458,1098,
igr2= 440, 441,1102,
&end
#
# 60 GLN HN 60 GLN HG+ 4.50 (# 173:25 Unique 2.08, 3.58 A)
&rst
ixpk= 173, nxpk= 25, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 888, 889,
&end
#
# 96 PHE HD 76 VAL HB 5.50 (# 174:25 Unique 2.98, 5.89 A)
&rst
ixpk= 174, nxpk= 25, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1419,1427,
&end
#
# 32 VAL HN 32 VAL HB 2.80 (# 175:25 Unique 2.50, 2.68 A)
&rst
ixpk= 175, nxpk= 25, iat= 487, 491, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 TRP HD1 97 GLU HB+ 5.50 (# 176:25 Unique 4.43, 5.50 A)
&rst
ixpk= 176, nxpk= 25, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1435,1436,
&end
#
# 4 VAL HN 4 VAL HB 2.80 (# 177:25 Unique 2.48, 2.75 A)
&rst
ixpk= 177, nxpk= 25, iat= 65, 69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 107 GLN HN 107 GLN HG+ 2.80 (# 178:25 Unique 2.31, 3.02 A)
&rst
ixpk= 178, nxpk= 25, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1585,1586,
&end
#
# 107 GLN HN 107 GLN HG- 2.80 (# 179:25 Unique 2.31, 3.02 A)
&rst
ixpk= 179, nxpk= 25, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1585,1586,
&end
#
# 107 GLN HE2+ 107 GLN HG- 2.80 (# 180:25 Unique 2.21, 3.18 A)
&rst
ixpk= 180, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1590,1591,
igr2=1585,1586,
&end
#
# 118 GLN HN 118 GLN HG+ 2.80 (# 181:25 Unique 2.23, 2.85 A)
&rst
ixpk= 181, nxpk= 25, iat=1761, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1768,1769,
&end
#
# 118 GLN HE2+ 118 GLN HG+ 3.50 (# 182:25 Unique 2.21, 3.28 A)
&rst
ixpk= 182, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1773,1774,
igr2=1768,1769,
&end
#
# 118 GLN HN 118 GLN HG- 2.80 (# 183:25 Unique 2.23, 2.85 A)
&rst
ixpk= 183, nxpk= 25, iat=1761, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1768,1769,
&end
#
# 118 GLN HE2+ 118 GLN HG- 2.80 (# 184:25 Unique 2.21, 3.28 A)
&rst
ixpk= 184, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1773,1774,
igr2=1768,1769,
&end
#
# 2 LYS HN 2 LYS HB+ 3.50 (# 185:25 Unique 2.82, 3.34 A)
&rst
ixpk= 185, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 49 MET HN 49 MET HG+ 2.80 (# 186:25 Unique 2.28, 3.11 A)
&rst
ixpk= 186, nxpk= 25, iat= 726, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 733, 734,
&end
#
# 129 LYS HN 129 LYS HB- 3.50 (# 187:25 Unique 2.07, 3.02 A)
&rst
ixpk= 187, nxpk= 25, iat=1948, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1952,1953,
&end
#
# 129 LYS HN 129 LYS HB+ 3.50 (# 188:25 Unique 2.07, 3.02 A)
&rst
ixpk= 188, nxpk= 25, iat=1948, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1952,1953,
&end
#
# 93 GLN HE2+ 93 GLN HG+ 3.50 (# 189:25 Unique 2.20, 3.27 A)
&rst
ixpk= 189, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1372,1373,
igr2=1367,1368,
&end
#
# 93 GLN HE2+ 93 GLN HG- 3.50 (# 190:25 Unique 2.20, 3.27 A)
&rst
ixpk= 190, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1372,1373,
igr2=1367,1368,
&end
#
# 23 LYS HN 23 LYS HB+ 3.50 (# 191:25 Unique 1.97, 2.89 A)
&rst
ixpk= 191, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 361, 362,
&end
#
# 38 GLU HN 38 GLU HB- 4.50 (# 192:25 Unique 2.32, 3.36 A)
&rst
ixpk= 192, nxpk= 25, iat= 565, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 569, 570,
&end
#
# 42 VAL HN 42 VAL HB 3.50 (# 193:25 Unique 2.58, 3.54 A)
&rst
ixpk= 193, nxpk= 25, iat= 626, 630, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 GLN HN 42 VAL HB 5.50 (# 194:25 Unique 4.46, 5.29 A)
&rst
ixpk= 194, nxpk= 25, iat= 261, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 115 VAL HN 115 VAL HB 2.80 (# 195:25 Unique 2.21, 2.31 A)
&rst
ixpk= 195, nxpk= 25, iat=1714,1718, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 119 VAL HN 119 VAL HB 2.80 (# 196:25 Unique 2.35, 2.46 A)
&rst
ixpk= 196, nxpk= 25, iat=1778,1782, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 LYS HN 119 VAL HB 3.50 (# 197:25 Unique 2.45, 2.69 A)
&rst
ixpk= 197, nxpk= 25, iat=1794,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:198 111 VAL HB 5.50 (# 198:25 Single Ambig)
&rst
ixpk= 198, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1606,1571,1730,
&end
#
# 90 TRP HD1 87 PRO HB- 4.50 (# 199:25 Unique 2.24, 3.24 A)
&rst
ixpk= 199, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1270,1271,
&end
#
# 115 VAL HN 111 VAL HB 5.50 (# 200:25 Unique 5.19, 5.39 A)
&rst
ixpk= 200, nxpk= 25, iat=1714,1644, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:201 111 VAL HB 2.80 (# 201:25 Single Ambig)
&rst
ixpk= 201, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1656,1595,
&end
#
# 111 VAL HN 111 VAL HB 3.50 (# 202:25 Unique 2.58, 2.68 A)
&rst
ixpk= 202, nxpk= 25, iat=1640,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 GLU HN 52 GLU HB- 3.50 (# 203:25 Unique 2.57, 3.20 A)
&rst
ixpk= 203, nxpk= 25, iat= 775, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 779, 780,
&end
#
# 127 ILE HN 127 ILE HG1+ 2.80 (# 204:25 Unique 2.13, 2.87 A)
&rst
ixpk= 204, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1929,1930,
&end
#
# 52 GLU HN 52 GLU HB+ 3.50 (# 205:25 Unique 2.57, 3.20 A)
&rst
ixpk= 205, nxpk= 25, iat= 775, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 779, 780,
&end
#
# 90 TRP HN 90 TRP HB+ 3.50 (# 206:25 Unique 2.29, 2.96 A)
&rst
ixpk= 206, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1310,1311,
&end
#
# 90 TRP HN 90 TRP HB- 3.50 (# 207:25 Unique 2.29, 2.96 A)
&rst
ixpk= 207, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1310,1311,
&end
#
# 0 AMB 25-2:208 90 TRP HB- 3.50 (# 208:25 Single Ambig)
&rst
ixpk= 208, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1330,1314,
igr2=1310,1311,
&end
#
# 102 GLU HN 102 GLU HB+ 2.80 (# 209:25 Unique 2.24, 3.01 A)
&rst
ixpk= 209, nxpk= 25, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1522,1523,
&end
#
# 102 GLU HN 102 GLU HB- 3.50 (# 210:25 Unique 2.24, 3.01 A)
&rst
ixpk= 210, nxpk= 25, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1522,1523,
&end
#
# 103 ASP HN 102 GLU HB- 3.50 (# 211:25 Unique 2.59, 3.55 A)
&rst
ixpk= 211, nxpk= 25, iat=1533, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1522,1523,
&end
#
# 108 SER HN 107 GLN HB+ 3.50 (# 212:25 Unique 1.94, 2.75 A)
&rst
ixpk= 212, nxpk= 25, iat=1595, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1582,1583,
&end
#
# 121 GLU HN 121 GLU HB+ 2.80 (# 213:25 Unique 2.32, 2.39 A)
&rst
ixpk= 213, nxpk= 25, iat=1816, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1820,1821,
&end
#
# 121 GLU HN 121 GLU HB- 2.80 (# 214:25 Unique 2.32, 2.39 A)
&rst
ixpk= 214, nxpk= 25, iat=1816, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1820,1821,
&end
#
# 124 GLU HN 124 GLU HB- 3.50 (# 215:25 Unique 2.31, 2.96 A)
&rst
ixpk= 215, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1875,1876,
&end
#
# 124 GLU HN 124 GLU HB+ 2.80 (# 217:25 Unique 2.31, 2.96 A)
&rst
ixpk= 217, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1875,1876,
&end
#
# 125 ASN HN 124 GLU HB+ 2.80 (# 218:25 Unique 2.66, 3.14 A)
&rst
ixpk= 218, nxpk= 25, iat=1886, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1875,1876,
&end
#
# 125 ASN HN 124 GLU HB- 3.50 (# 219:25 Unique 2.66, 3.14 A)
&rst
ixpk= 219, nxpk= 25, iat=1886, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1875,1876,
&end
#
# 130 ILE HN 129 LYS HD+ 4.50 (# 220:25 Unique 4.38, 5.04 A)
&rst
ixpk= 220, nxpk= 25, iat=1970, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1958,1959,
&end
#
# 60 GLN HE2+ 60 GLN HB+ 2.80 (# 221:25 Unique 2.07, 3.58 A)
&rst
ixpk= 221, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 893, 894,
igr2= 885, 886,
&end
#
# 51 GLU HN 51 GLU HB- 2.80 (# 222:25 Unique 2.20, 2.49 A)
&rst
ixpk= 222, nxpk= 25, iat= 760, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 764, 765,
&end
#
# 52 GLU HN 51 GLU HB- 3.50 (# 223:25 Unique 2.88, 3.50 A)
&rst
ixpk= 223, nxpk= 25, iat= 775, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 764, 765,
&end
#
# 52 GLU HN 51 GLU HB+ 4.50 (# 224:25 Unique 2.88, 3.50 A)
&rst
ixpk= 224, nxpk= 25, iat= 775, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 764, 765,
&end
#
# 51 GLU HN 51 GLU HB+ 2.80 (# 225:25 Unique 2.20, 2.49 A)
&rst
ixpk= 225, nxpk= 25, iat= 760, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 764, 765,
&end
#
# 110 GLU HN 110 GLU HB- 2.80 (# 226:25 Unique 2.10, 2.91 A)
&rst
ixpk= 226, nxpk= 25, iat=1625, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1629,1630,
&end
#
# 111 VAL HN 110 GLU HB- 4.50 (# 227:25 Unique 2.76, 3.76 A)
&rst
ixpk= 227, nxpk= 25, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1629,1630,
&end
#
# 60 GLN HN 60 GLN HB- 3.50 (# 228:25 Unique 2.33, 2.83 A)
&rst
ixpk= 228, nxpk= 25, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 885, 886,
&end
#
# 111 VAL HN 110 GLU HB+ 3.50 (# 229:25 Unique 2.76, 3.76 A)
&rst
ixpk= 229, nxpk= 25, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1629,1630,
&end
#
# 110 GLU HN 110 GLU HB+ 3.50 (# 230:25 Unique 2.10, 2.91 A)
&rst
ixpk= 230, nxpk= 25, iat=1625, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1629,1630,
&end
#
# 118 GLN HN 118 GLN HB- 3.50 (# 231:25 Unique 2.34, 3.05 A)
&rst
ixpk= 231, nxpk= 25, iat=1761, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1765,1766,
&end
#
# 118 GLN HN 118 GLN HB+ 2.80 (# 232:25 Unique 2.34, 3.05 A)
&rst
ixpk= 232, nxpk= 25, iat=1761, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1765,1766,
&end
#
# 66 GLU HN 66 GLU HB+ 2.80 (# 233:25 Unique 2.00, 2.82 A)
&rst
ixpk= 233, nxpk= 25, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 972, 973,
&end
#
# 25 LEU HN 25 LEU HG 3.50 (# 234:25 Unique 2.24, 2.29 A)
&rst
ixpk= 234, nxpk= 25, iat= 393, 400, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PHE HD 79 LEU HG 3.50 (# 235:25 Unique 3.36, 5.19 A)
&rst
ixpk= 235, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 106, 114,
&end
#
# 122 ARG HN 122 ARG HB+ 3.50 (# 236:25 Unique 2.45, 3.11 A)
&rst
ixpk= 236, nxpk= 25, iat=1831, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1835,1836,
&end
#
# 0 AMB 25-2:237 0 AMB 25-1:237 3.50 (# 237:25 Double Ambig)
&rst
ixpk= 237, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1377,1114,
igr2=1364,1365,1364,1365,
&end
#
# 6 PHE HD 126 LEU MDY 4.50 (# 238:25 Unique 4.54, 7.21 A)
&rst
ixpk= 238, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 106, 114,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 21 PHE HD 25 LEU MDY 3.50 (# 239:25 Unique 3.18, 5.63 A)
&rst
ixpk= 239, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 335, 343,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 130 ILE HN 130 ILE HG1- 2.80 (# 241:25 Unique 1.96, 2.71 A)
&rst
ixpk= 241, nxpk= 25, iat=1970, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1980,1981,
&end
#
# 130 ILE HN 130 ILE HG1+ 3.50 (# 242:25 Unique 1.96, 2.71 A)
&rst
ixpk= 242, nxpk= 25, iat=1970, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1980,1981,
&end
#
# 130 ILE HN 129 LYS HG+ 5.50 (# 243:25 Unique 2.50, 3.83 A)
&rst
ixpk= 243, nxpk= 25, iat=1970, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1955,1956,
&end
#
# 29 LYS HN 29 LYS HG+ 3.50 (# 244:25 Unique 2.04, 2.99 A)
&rst
ixpk= 244, nxpk= 25, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 443, 444,
&end
#
# 124 GLU HN 123 VAL MGX 4.50 (# 245:25 Unique 2.61, 4.57 A)
&rst
ixpk= 245, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 21 PHE HD 123 VAL MGX 3.50 (# 246:25 Unique 3.06, 5.93 A)
&rst
ixpk= 246, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 335, 343,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 119 VAL HN 119 VAL MGY 3.50 (# 248:25 Unique 1.93, 3.80 A)
&rst
ixpk= 248, nxpk= 25, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 102 GLU HN 115 VAL MGY 4.50 (# 249:25 Unique 2.34, 4.64 A)
&rst
ixpk= 249, nxpk= 25, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 115 VAL HN 115 VAL MGY 2.80 (# 250:25 Unique 2.29, 3.84 A)
&rst
ixpk= 250, nxpk= 25, iat=1714, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 25-2:251 119 VAL MGX 3.50 (# 251:25 Single Ambig)
&rst
ixpk= 251, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 337, 341,1816,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 21 PHE HD 119 VAL MGX 2.80 (# 252:25 Unique 2.27, 6.37 A)
&rst
ixpk= 252, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 335, 343,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 111 VAL HN 111 VAL MGY 2.80 (# 254:25 Unique 2.05, 3.76 A)
&rst
ixpk= 254, nxpk= 25, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 0 AMB 25-2:256 111 VAL MGY 3.50 (# 256:25 Single Ambig)
&rst
ixpk= 256, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1595,1656,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 6 PHE HD 32 VAL MGY 3.50 (# 257:25 Unique 2.28, 5.91 A)
&rst
ixpk= 257, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 106, 114,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 25-2:258 0 AMB 25-1:258 2.80 (# 258:25 Double Ambig)
&rst
ixpk= 258, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 503, 393,
igr2= 493, 494, 495, 497, 498, 499, 402, 403, 404, 406,
407, 408,
&end
#
# 34 SER HN 33 THR MG2 3.50 (# 259:25 Unique 2.49, 4.02 A)
&rst
ixpk= 259, nxpk= 25, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 509, 510, 511,
&end
#
# 0 AMB 25-2:260 33 THR MG2 3.50 (# 260:25 Single Ambig)
&rst
ixpk= 260, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1009,1005,1013,
igr2= 509, 510, 511,
&end
#
# 124 GLU HN 123 VAL MGY 3.50 (# 261:25 Unique 2.61, 4.57 A)
&rst
ixpk= 261, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 6 PHE HD 123 VAL MGY 4.50 (# 262:25 Unique 3.91, 6.40 A)
&rst
ixpk= 262, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 106, 114,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 32 VAL HN 32 VAL MGX 2.80 (# 263:25 Unique 2.07, 3.96 A)
&rst
ixpk= 263, nxpk= 25, iat= 487, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 6 PHE HD 32 VAL MGX 4.50 (# 264:25 Unique 2.28, 5.91 A)
&rst
ixpk= 264, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 106, 114,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 123 VAL HN 123 VAL MGY 3.50 (# 265:25 Unique 2.00, 3.81 A)
&rst
ixpk= 265, nxpk= 25, iat=1855, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 42 VAL HN 42 VAL MGY 2.80 (# 266:25 Unique 1.83, 3.14 A)
&rst
ixpk= 266, nxpk= 25, iat= 626, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 0 AMB 25-2:267 61 THR MG2 3.50 (# 267:25 Single Ambig)
&rst
ixpk= 267, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 912, 898,
igr2= 904, 905, 906,
&end
#
# 76 VAL HN 75 VAL MGY 2.80 (# 268:25 Unique 2.52, 4.31 A)
&rst
ixpk= 268, nxpk= 25, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 92 THR HN 92 THR MG2 2.80 (# 269:25 Unique 2.29, 3.36 A)
&rst
ixpk= 269, nxpk= 25, iat=1346, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1352,1353,1354,
&end
#
# 42 VAL HN 42 VAL MGX 3.50 (# 270:25 Unique 1.83, 3.14 A)
&rst
ixpk= 270, nxpk= 25, iat= 626, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 49 MET HN 49 MET ME 3.50 (# 271:25 Unique 2.90, 3.96 A)
&rst
ixpk= 271, nxpk= 25, iat= 726, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 737, 738, 739,
&end
#
# 118 GLN HE2+ 114 THR MG2 3.50 (# 272:25 Unique 3.09, 4.66 A)
&rst
ixpk= 272, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1773,1774,
igr2=1706,1707,1708,
&end
#
# 118 GLN HE2- 114 THR MG2 3.50 (# 273:25 Unique 3.09, 4.66 A)
&rst
ixpk= 273, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1773,1774,
igr2=1706,1707,1708,
&end
#
# 115 VAL HN 114 THR MG2 3.50 (# 274:25 Unique 2.97, 3.99 A)
&rst
ixpk= 274, nxpk= 25, iat=1714, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1706,1707,1708,
&end
#
# 114 THR HN 114 THR MG2 3.50 (# 275:25 Unique 4.07, 4.33 A)
&rst
ixpk= 275, nxpk= 25, iat=1700, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1706,1707,1708,
&end
#
# 53 VAL HN 53 VAL MGY 3.50 (# 276:25 Unique 2.11, 3.48 A)
&rst
ixpk= 276, nxpk= 25, iat= 790, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 4 VAL HN 4 VAL MGY 2.80 (# 277:25 Unique 2.35, 4.03 A)
&rst
ixpk= 277, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:278 4 VAL MGY 4.50 (# 278:25 Single Ambig)
&rst
ixpk= 278, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 81, 477,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 24 THR HN 24 THR MG2 3.50 (# 279:25 Unique 3.97, 4.30 A)
&rst
ixpk= 279, nxpk= 25, iat= 379, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 385, 386, 387,
&end
#
# 90 TRP HE3 76 VAL MGX 2.80 (# 280:25 Unique 2.08, 2.97 A)
&rst
ixpk= 280, nxpk= 25, iat=1325, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 77 ILE HN 76 VAL MGX 3.50 (# 281:25 Unique 2.59, 4.13 A)
&rst
ixpk= 281, nxpk= 25, iat=1130, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 73 TYR HD 76 VAL MGX 4.50 (# 282:25 Unique 3.11, 6.40 A)
&rst
ixpk= 282, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1073,1082,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 116 ARG HN 115 VAL MGX 4.50 (# 283:25 Unique 3.56, 4.79 A)
&rst
ixpk= 283, nxpk= 25, iat=1730, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 6 PHE HN 7 VAL MGX 3.50 (# 284:25 Unique 2.57, 5.46 A)
&rst
ixpk= 284, nxpk= 25, iat= 98, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 91 VAL HN 91 VAL MGX 2.80 (# 285:25 Unique 2.01, 3.13 A)
&rst
ixpk= 285, nxpk= 25, iat=1330, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 31 ALA HN 31 ALA MB 2.80 (# 286:25 Unique 2.44, 3.10 A)
&rst
ixpk= 286, nxpk= 25, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 481, 482, 483,
&end
#
# 82 SER HN 84 VAL MGY 3.50 (# 287:25 Unique 2.38, 4.33 A)
&rst
ixpk= 287, nxpk= 25, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1220,1221,1222,1224,1225,1226,
&end
#
# 4 VAL HN 4 VAL MGX 4.50 (# 288:25 Unique 2.35, 4.03 A)
&rst
ixpk= 288, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 5 MET HN 4 VAL MGX 2.80 (# 289:25 Unique 2.15, 4.03 A)
&rst
ixpk= 289, nxpk= 25, iat= 81, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 6 PHE HD 4 VAL MGX 3.50 (# 290:25 Unique 2.82, 6.48 A)
&rst
ixpk= 290, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 106, 114,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 76 VAL HN 76 VAL MGY 3.50 (# 291:25 Unique 3.23, 4.41 A)
&rst
ixpk= 291, nxpk= 25, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 90 TRP HE3 76 VAL MGY 2.80 (# 292:25 Unique 2.08, 2.97 A)
&rst
ixpk= 292, nxpk= 25, iat=1325, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:293 111 VAL MGX 3.50 (# 293:25 Single Ambig)
&rst
ixpk= 293, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1595,1656,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 111 VAL HN 111 VAL MGX 4.50 (# 294:25 Unique 2.05, 3.76 A)
&rst
ixpk= 294, nxpk= 25, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 55 ILE HN 53 VAL MGX 3.50 (# 295:25 Unique 2.85, 5.02 A)
&rst
ixpk= 295, nxpk= 25, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 21 PHE HE 53 VAL MGX 2.80 (# 296:25 Unique 2.41, 5.39 A)
&rst
ixpk= 296, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 337, 341,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 53 VAL HN 53 VAL MGX 3.50 (# 297:25 Unique 2.11, 3.48 A)
&rst
ixpk= 297, nxpk= 25, iat= 790, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 23 LYS HN 22 ALA MB 3.50 (# 298:25 Unique 2.63, 3.55 A)
&rst
ixpk= 298, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 351, 352, 353,
&end
#
# 6 PHE HD 22 ALA MB 3.50 (# 299:25 Unique 3.41, 5.21 A)
&rst
ixpk= 299, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 106, 114,
igr2= 351, 352, 353,
&end
#
# 91 VAL HN 91 VAL MGY 2.80 (# 300:25 Unique 2.01, 3.13 A)
&rst
ixpk= 300, nxpk= 25, iat=1330, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 0 AMB 25-2:301 128 ALA MB 2.80 (# 301:25 Single Ambig)
&rst
ixpk= 301, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1938,1948,
igr2=1942,1943,1944,
&end
#
# 27 ALA HN 27 ALA MB 2.80 (# 302:25 Unique 2.37, 2.87 A)
&rst
ixpk= 302, nxpk= 25, iat= 419, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 423, 424, 425,
&end
#
# 49 MET HN 48 ALA MB 2.80 (# 303:25 Unique 2.76, 3.62 A)
&rst
ixpk= 303, nxpk= 25, iat= 726, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 720, 721, 722,
&end
#
# 48 ALA HN 48 ALA MB 2.80 (# 304:25 Unique 2.51, 2.97 A)
&rst
ixpk= 304, nxpk= 25, iat= 716, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 720, 721, 722,
&end
#
# 0 AMB 25-2:305 95 ILE QG2 4.50 (# 305:25 Single Ambig)
&rst
ixpk= 305, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1377,1411,
igr2=1398,1399,1400,
&end
#
# 70 ALA HN 70 ALA MB 3.50 (# 306:25 Unique 2.50, 3.00 A)
&rst
ixpk= 306, nxpk= 25, iat=1031, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1035,1036,1037,
&end
#
# 46 ALA HN 46 ALA MB 2.80 (# 307:25 Unique 2.46, 2.97 A)
&rst
ixpk= 307, nxpk= 25, iat= 687, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 691, 692, 693,
&end
#
# 127 ILE HN 0 AMB 25-1:308 3.50 (# 308:25 Single Ambig)
&rst
ixpk= 308, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1925,1926,1927,1976,1977,1978,
&end
#
# 130 ILE HN 130 ILE QG2 2.80 (# 309:25 Unique 2.29, 3.21 A)
&rst
ixpk= 309, nxpk= 25, iat=1970, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1976,1977,1978,
&end
#
# 18 ALA HN 18 ALA MB 2.80 (# 310:25 Unique 2.42, 2.96 A)
&rst
ixpk= 310, nxpk= 25, iat= 295, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 299, 300, 301,
&end
#
# 6 PHE HD 18 ALA MB 2.80 (# 311:25 Unique 2.44, 4.44 A)
&rst
ixpk= 311, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 106, 114,
igr2= 299, 300, 301,
&end
#
# 68 PHE HD 5 MET ME 3.50 (# 312:25 Unique 2.90, 4.75 A)
&rst
ixpk= 312, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1005,1013,
igr2= 92, 93, 94,
&end
#
# 73 TYR HE 5 MET ME 3.50 (# 313:25 Unique 3.00, 4.03 A)
&rst
ixpk= 313, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1075,1080,
igr2= 92, 93, 94,
&end
#
# 56 ASP HN 55 ILE QG2 4.50 (# 315:25 Unique 2.46, 3.50 A)
&rst
ixpk= 315, nxpk= 25, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 819, 820, 821,
&end
#
# 66 GLU HN 65 ILE QG2 3.50 (# 316:25 Unique 2.66, 3.54 A)
&rst
ixpk= 316, nxpk= 25, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 955, 956, 957,
&end
#
# 65 ILE HN 65 ILE QG2 4.50 (# 317:25 Unique 2.19, 3.21 A)
&rst
ixpk= 317, nxpk= 25, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 955, 956, 957,
&end
#
# 0 AMB 25-2:318 50 MET ME 4.50 (# 318:25 Single Ambig)
&rst
ixpk= 318, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1666,1670, 273, 274,
igr2= 754, 755, 756,
&end
#
# 112 PHE HD 50 MET ME 3.50 (# 319:25 Unique 2.15, 5.27 A)
&rst
ixpk= 319, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1664,1672,
igr2= 754, 755, 756,
&end
#
# 0 AMB 25-2:320 17 MET ME 4.50 (# 320:25 Single Ambig)
&rst
ixpk= 320, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 813, 743,
igr2= 289, 290, 291,
&end
#
# 21 PHE HE 17 MET ME 3.50 (# 321:25 Unique 2.83, 4.80 A)
&rst
ixpk= 321, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 337, 341,
igr2= 289, 290, 291,
&end
#
# 21 PHE HD 17 MET ME 3.50 (# 322:25 Unique 3.17, 4.80 A)
&rst
ixpk= 322, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 335, 343,
igr2= 289, 290, 291,
&end
#
# 21 PHE HN 17 MET ME 3.50 (# 323:25 Unique 2.88, 3.91 A)
&rst
ixpk= 323, nxpk= 25, iat= 327, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 289, 290, 291,
&end
#
# 0 AMB 25-2:324 127 ILE QD1 3.50 (# 324:25 Single Ambig)
&rst
ixpk= 324, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 412, 110,
igr2=1932,1933,1934,
&end
#
# 21 PHE HD 55 ILE QD1 3.50 (# 325:25 Unique 2.63, 4.75 A)
&rst
ixpk= 325, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 335, 343,
igr2= 826, 827, 828,
&end
#
# 6 PHE HD 77 ILE QG2 2.80 (# 326:25 Unique 2.24, 4.88 A)
&rst
ixpk= 326, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 106, 114,
igr2=1136,1137,1138,
&end
#
# 43 HIS HA 44 PRO HD- 2.80 (# 327:25 Unique 2.24, 2.47 A)
&rst
ixpk= 327, nxpk= 25, iat= 644, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 660, 661,
&end
#
# 74 ASP HA 74 ASP HB+ 2.80 (# 328:25 Unique 2.42, 2.74 A)
&rst
ixpk= 328, nxpk= 25, iat=1088, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1090,1091,
&end
#
# 74 ASP HA 74 ASP HB- 2.80 (# 329:25 Unique 2.42, 2.74 A)
&rst
ixpk= 329, nxpk= 25, iat=1088, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1090,1091,
&end
#
# 98 ASP HA 98 ASP HB+ 3.50 (# 331:25 Unique 2.19, 2.65 A)
&rst
ixpk= 331, nxpk= 25, iat=1448, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1450,1451,
&end
#
# 63 ASP HA 63 ASP HB+ 2.80 (# 332:25 Unique 2.77, 2.90 A)
&rst
ixpk= 332, nxpk= 25, iat= 925, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 927, 928,
&end
#
# 30 ILE HA 30 ILE HB 2.80 (# 333:25 Unique 2.44, 2.47 A)
&rst
ixpk= 333, nxpk= 25, iat= 460, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 ASP HA 103 ASP HB+ 2.80 (# 336:25 Unique 2.23, 2.66 A)
&rst
ixpk= 336, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1537,1538,
&end
#
# 103 ASP HA 103 ASP HB- 2.80 (# 337:25 Unique 2.23, 2.66 A)
&rst
ixpk= 337, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1537,1538,
&end
#
# 25 LEU HA 25 LEU HB- 3.50 (# 338:25 Unique 2.52, 2.79 A)
&rst
ixpk= 338, nxpk= 25, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 397, 398,
&end
#
# 72 ASP HA 72 ASP HB+ 2.80 (# 341:25 Unique 2.50, 2.77 A)
&rst
ixpk= 341, nxpk= 25, iat=1055, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1057,1058,
&end
#
# 72 ASP HA 72 ASP HB- 2.80 (# 342:25 Unique 2.50, 2.77 A)
&rst
ixpk= 342, nxpk= 25, iat=1055, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1057,1058,
&end
#
# 71 ASP HA 71 ASP HB+ 2.80 (# 343:25 Unique 2.43, 2.75 A)
&rst
ixpk= 343, nxpk= 25, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1045,1046,
&end
#
# 71 ASP HA 71 ASP HB- 2.80 (# 344:25 Unique 2.43, 2.75 A)
&rst
ixpk= 344, nxpk= 25, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1045,1046,
&end
#
# 73 TYR HA 73 TYR HB+ 2.80 (# 345:25 Unique 2.46, 2.79 A)
&rst
ixpk= 345, nxpk= 25, iat=1067, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1069,1070,
&end
#
# 69 ASN HA 69 ASN HB+ 2.80 (# 346:25 Unique 2.34, 2.69 A)
&rst
ixpk= 346, nxpk= 25, iat=1019, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1021,1022,
&end
#
# 69 ASN HA 69 ASN HB- 2.80 (# 347:25 Unique 2.34, 2.69 A)
&rst
ixpk= 347, nxpk= 25, iat=1019, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1021,1022,
&end
#
# 105 ASP HA 105 ASP HB- 2.80 (# 348:25 Unique 2.31, 2.71 A)
&rst
ixpk= 348, nxpk= 25, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1563,1564,
&end
#
# 130 ILE HA 130 ILE HB 2.80 (# 349:25 Unique 2.32, 2.37 A)
&rst
ixpk= 349, nxpk= 25, iat=1972,1974, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 125 ASN HA 125 ASN HB- 2.80 (# 351:25 Unique 2.26, 2.77 A)
&rst
ixpk= 351, nxpk= 25, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1890,1891,
&end
#
# 125 ASN HA 125 ASN HB+ 2.80 (# 352:25 Unique 2.26, 2.77 A)
&rst
ixpk= 352, nxpk= 25, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1890,1891,
&end
#
# 57 ILE HA 57 ILE HB 2.80 (# 354:25 Unique 2.46, 2.50 A)
&rst
ixpk= 354, nxpk= 25, iat= 846, 848, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASN HA 67 ASN HB- 2.80 (# 355:25 Unique 2.51, 2.79 A)
&rst
ixpk= 355, nxpk= 25, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 987, 988,
&end
#
# 67 ASN HA 67 ASN HB+ 3.50 (# 356:25 Unique 2.51, 2.79 A)
&rst
ixpk= 356, nxpk= 25, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 987, 988,
&end
#
# 52 GLU HA 52 GLU HG+ 3.50 (# 357:25 Unique 2.71, 3.56 A)
&rst
ixpk= 357, nxpk= 25, iat= 777, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 782, 783,
&end
#
# 52 GLU HA 52 GLU HG- 3.50 (# 358:25 Unique 2.71, 3.56 A)
&rst
ixpk= 358, nxpk= 25, iat= 777, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 782, 783,
&end
#
# 0 AMB 25-2:359 0 AMB 25-1:359 2.80 (# 359:25 Double Ambig)
&rst
ixpk= 359, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 970, 985,
igr2= 975, 976, 975, 976,
&end
#
# 0 AMB 25-2:360 66 GLU HG- 2.80 (# 360:25 Single Ambig)
&rst
ixpk= 360, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 970, 985,
igr2= 975, 976,
&end
#
# 97 GLU HA 97 GLU HG+ 3.50 (# 361:25 Unique 2.42, 3.36 A)
&rst
ixpk= 361, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1438,1439,
&end
#
# 38 GLU HA 38 GLU HG+ 2.80 (# 362:25 Unique 2.43, 3.02 A)
&rst
ixpk= 362, nxpk= 25, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 572, 573,
&end
#
# 38 GLU HA 38 GLU HG- 3.50 (# 363:25 Unique 2.43, 3.02 A)
&rst
ixpk= 363, nxpk= 25, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 572, 573,
&end
#
# 97 GLU HA 97 GLU HG- 4.50 (# 364:25 Unique 2.42, 3.36 A)
&rst
ixpk= 364, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1438,1439,
&end
#
# 57 ILE HA 60 GLN HG+ 3.50 (# 365:25 Unique 2.19, 3.65 A)
&rst
ixpk= 365, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 888, 889,
&end
#
# 60 GLN HA 60 GLN HG+ 2.80 (# 366:25 Unique 2.31, 2.83 A)
&rst
ixpk= 366, nxpk= 25, iat= 883, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 888, 889,
&end
#
# 4 VAL HA 75 VAL HB 4.50 (# 367:25 Unique 2.19, 3.78 A)
&rst
ixpk= 367, nxpk= 25, iat= 67,1102, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:368 0 AMB 25-1:368 2.80 (# 368:25 Double Ambig)
&rst
ixpk= 368, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1100, 438,
igr2=1102, 440, 441,
&end
#
# 32 VAL HA 32 VAL HB 3.50 (# 370:25 Unique 2.41, 2.96 A)
&rst
ixpk= 370, nxpk= 25, iat= 489, 491, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLU HA 97 GLU HB+ 2.80 (# 371:25 Unique 2.35, 2.74 A)
&rst
ixpk= 371, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1435,1436,
&end
#
# 32 VAL HA 4 VAL HB 2.80 (# 372:25 Unique 2.06, 2.22 A)
&rst
ixpk= 372, nxpk= 25, iat= 489, 69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 107 GLN HA 107 GLN HG- 3.50 (# 374:25 Unique 2.65, 3.68 A)
&rst
ixpk= 374, nxpk= 25, iat=1580, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1585,1586,
&end
#
# 118 GLN HA 118 GLN HG+ 2.80 (# 375:25 Unique 2.37, 3.17 A)
&rst
ixpk= 375, nxpk= 25, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1768,1769,
&end
#
# 118 GLN HA 118 GLN HG- 3.50 (# 376:25 Unique 2.37, 3.17 A)
&rst
ixpk= 376, nxpk= 25, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1768,1769,
&end
#
# 1 MET HA 1 MET HB+ 2.80 (# 377:25 Unique 2.30, 2.55 A)
&rst
ixpk= 377, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 8, 9,
&end
#
# 2 LYS HA 2 LYS HB+ 3.50 (# 378:25 Unique 2.22, 2.65 A)
&rst
ixpk= 378, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 1 MET HA 1 MET HB- 2.80 (# 379:25 Unique 2.30, 2.55 A)
&rst
ixpk= 379, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 8, 9,
&end
#
# 0 AMB 25-2:380 0 AMB 25-1:380 2.80 (# 380:25 Double Ambig)
&rst
ixpk= 380, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 263, 45,
igr2= 265, 266, 47, 48,
&end
#
# 73 TYR HA 3 LYS HB+ 3.50 (# 381:25 Unique 2.03, 2.95 A)
&rst
ixpk= 381, nxpk= 25, iat=1067, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 47, 48,
&end
#
# 2 LYS HA 2 LYS HB- 2.80 (# 382:25 Unique 2.22, 2.65 A)
&rst
ixpk= 382, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 25, 26,
&end
#
# 129 LYS HA 0 AMB 25-1:383 3.50 (# 383:25 Single Ambig)
&rst
ixpk= 383, nxpk= 25, iat=1950, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1952,1953,1952,1953,
&end
#
# 129 LYS HA 0 AMB 25-1:384 3.50 (# 384:25 Single Ambig)
&rst
ixpk= 384, nxpk= 25, iat=1950, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1952,1953,1952,1953,
&end
#
# 23 LYS HA 23 LYS HB+ 2.80 (# 386:25 Unique 2.26, 2.55 A)
&rst
ixpk= 386, nxpk= 25, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 361, 362,
&end
#
# 38 GLU HA 38 GLU HB- 2.80 (# 387:25 Unique 2.42, 2.76 A)
&rst
ixpk= 387, nxpk= 25, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 569, 570,
&end
#
# 44 PRO HA 44 PRO HB+ 2.80 (# 388:25 Unique 2.27, 2.54 A)
&rst
ixpk= 388, nxpk= 25, iat= 669, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 666, 667,
&end
#
# 88 PRO HA 88 PRO HB+ 2.80 (# 390:25 Unique 2.30, 2.61 A)
&rst
ixpk= 390, nxpk= 25, iat=1287, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1284,1285,
&end
#
# 0 AMB 25-2:391 0 AMB 25-1:391 2.80 (# 391:25 Double Ambig)
&rst
ixpk= 391, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 669,1287,
igr2= 666, 667,1284,1285,
&end
#
# 41 ARG HA 41 ARG HB- 2.80 (# 392:25 Unique 2.21, 2.85 A)
&rst
ixpk= 392, nxpk= 25, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 606, 607,
&end
#
# 41 ARG HA 41 ARG HB+ 3.50 (# 393:25 Unique 2.21, 2.85 A)
&rst
ixpk= 393, nxpk= 25, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 606, 607,
&end
#
# 1 MET HA 1 MET HG+ 3.50 (# 394:25 Unique 2.29, 3.54 A)
&rst
ixpk= 394, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG- 3.50 (# 395:25 Unique 2.29, 3.54 A)
&rst
ixpk= 395, nxpk= 25, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 11, 12,
&end
#
# 91 VAL HA 91 VAL HB 2.80 (# 397:25 Unique 2.26, 2.38 A)
&rst
ixpk= 397, nxpk= 25, iat=1332,1334, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 GLU HA 52 GLU HB- 2.80 (# 401:25 Unique 2.28, 2.59 A)
&rst
ixpk= 401, nxpk= 25, iat= 777, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 779, 780,
&end
#
# 52 GLU HA 52 GLU HB+ 2.80 (# 402:25 Unique 2.28, 2.59 A)
&rst
ixpk= 402, nxpk= 25, iat= 777, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 779, 780,
&end
#
# 90 TRP HA 90 TRP HB- 3.50 (# 403:25 Unique 2.49, 2.78 A)
&rst
ixpk= 403, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1310,1311,
&end
#
# 107 GLN HA 107 GLN HB+ 2.80 (# 404:25 Unique 2.29, 2.54 A)
&rst
ixpk= 404, nxpk= 25, iat=1580, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1582,1583,
&end
#
# 48 ALA HA 51 GLU HB+ 3.50 (# 407:25 Unique 2.85, 3.37 A)
&rst
ixpk= 407, nxpk= 25, iat= 718, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 764, 765,
&end
#
# 60 GLN HA 60 GLN HB- 2.80 (# 408:25 Unique 2.38, 2.75 A)
&rst
ixpk= 408, nxpk= 25, iat= 883, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 885, 886,
&end
#
# 0 AMB 25-2:409 110 GLU HB- 2.80 (# 409:25 Single Ambig)
&rst
ixpk= 409, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1627,1599,1600,
igr2=1629,1630,
&end
#
# 0 AMB 25-2:410 0 AMB 25-1:410 2.80 (# 410:25 Double Ambig)
&rst
ixpk= 410, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1627,1599,1600,
igr2=1629,1630,1629,1630,
&end
#
# 118 GLN HA 118 GLN HB- 2.80 (# 411:25 Unique 2.37, 2.78 A)
&rst
ixpk= 411, nxpk= 25, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1765,1766,
&end
#
# 118 GLN HA 118 GLN HB+ 2.80 (# 412:25 Unique 2.37, 2.78 A)
&rst
ixpk= 412, nxpk= 25, iat=1763, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1765,1766,
&end
#
# 66 GLU HA 66 GLU HB+ 2.80 (# 413:25 Unique 2.39, 2.72 A)
&rst
ixpk= 413, nxpk= 25, iat= 970, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 972, 973,
&end
#
# 0 AMB 25-2:414 0 AMB 25-1:414 3.50 (# 414:25 Double Ambig)
&rst
ixpk= 414, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1287, 669,
igr2=1281,1282, 663, 664,
&end
#
# 129 LYS HA 129 LYS HG+ 3.50 (# 416:25 Unique 2.47, 3.28 A)
&rst
ixpk= 416, nxpk= 25, iat=1950, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1955,1956,
&end
#
# 29 LYS HA 29 LYS HG+ 3.50 (# 417:25 Unique 2.64, 3.35 A)
&rst
ixpk= 417, nxpk= 25, iat= 438, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 443, 444,
&end
#
# 0 AMB 25-2:418 119 VAL MGY 5.50 (# 418:25 Single Ambig)
&rst
ixpk= 418, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1732,1763,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 101 LEU HA 101 LEU MDX 3.50 (# 419:25 Unique 2.09, 3.86 A)
&rst
ixpk= 419, nxpk= 25, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 86 LEU HA 86 LEU MDY 3.50 (# 421:25 Unique 2.24, 4.25 A)
&rst
ixpk= 421, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 104 PRO HD+ 115 VAL MGY 3.50 (# 422:25 Unique 2.03, 3.85 A)
&rst
ixpk= 422, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1546,1547,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 126 LEU HA 126 LEU MDX 2.80 (# 423:25 Unique 2.27, 3.84 A)
&rst
ixpk= 423, nxpk= 25, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 0 AMB 25-2:426 0 AMB 25-1:426 5.50 (# 426:25 Double Ambig)
&rst
ixpk= 426, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 359,1546,1547,
igr2= 493, 494, 495, 497, 498, 499,1646,1647,1648,1650,
1651,1652,
&end
#
# 32 VAL HA 32 VAL MGY 3.50 (# 427:25 Unique 2.32, 3.21 A)
&rst
ixpk= 427, nxpk= 25, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 25 LEU HA 25 LEU MDX 4.50 (# 428:25 Unique 2.25, 3.96 A)
&rst
ixpk= 428, nxpk= 25, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 33 THR HA 33 THR MG2 2.80 (# 429:25 Unique 2.47, 3.17 A)
&rst
ixpk= 429, nxpk= 25, iat= 505, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 509, 510, 511,
&end
#
# 109 LEU HA 109 LEU MDX 2.80 (# 430:25 Unique 2.17, 3.73 A)
&rst
ixpk= 430, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 0 AMB 25-2:431 0 AMB 25-1:431 4.50 (# 431:25 Double Ambig)
&rst
ixpk= 431, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 604, 846, 505,
igr2= 632, 633, 634, 636, 637, 638, 493, 494, 495, 497,
498, 499,
&end
#
# 0 AMB 25-2:432 0 AMB 25-1:432 3.50 (# 432:25 Double Ambig)
&rst
ixpk= 432, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 489, 263,
igr2= 493, 494, 495, 497, 498, 499, 632, 633, 634, 636,
637, 638,
&end
#
# 31 ALA HA 32 VAL MGX 4.50 (# 433:25 Unique 3.27, 5.67 A)
&rst
ixpk= 433, nxpk= 25, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 25-2:434 0 AMB 25-1:434 2.80 (# 434:25 Double Ambig)
&rst
ixpk= 434, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 359, 669,
igr2= 493, 494, 495, 497, 498, 499, 632, 633, 634, 636,
637, 638,
&end
#
# 61 THR HB 61 THR MG2 2.80 (# 435:25 Unique 2.33, 2.64 A)
&rst
ixpk= 435, nxpk= 25, iat= 902, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 904, 905, 906,
&end
#
# 4 VAL HA 75 VAL MGY 3.50 (# 436:25 Unique 1.98, 3.89 A)
&rst
ixpk= 436, nxpk= 25, iat= 67, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 75 VAL HA 75 VAL MGY 2.80 (# 437:25 Unique 2.48, 3.53 A)
&rst
ixpk= 437, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 114 THR HB 114 THR MG2 2.80 (# 438:25 Unique 2.33, 2.61 A)
&rst
ixpk= 438, nxpk= 25, iat=1704, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1706,1707,1708,
&end
#
# 0 AMB 25-2:440 92 THR MG2 4.50 (# 440:25 Single Ambig)
&rst
ixpk= 440, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1332,1308,
igr2=1352,1353,1354,
&end
#
# 0 AMB 25-2:441 92 THR MG2 2.80 (# 441:25 Single Ambig)
&rst
ixpk= 441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1350,1348,
igr2=1352,1353,1354,
&end
#
# 49 MET HA 49 MET ME 2.80 (# 443:25 Unique 2.90, 3.74 A)
&rst
ixpk= 443, nxpk= 25, iat= 728, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 737, 738, 739,
&end
#
# 0 AMB 25-2:444 49 MET ME 4.50 (# 444:25 Single Ambig)
&rst
ixpk= 444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 718,1608,
igr2= 737, 738, 739,
&end
#
# 0 AMB 25-2:446 4 VAL MGY 2.80 (# 446:25 Single Ambig)
&rst
ixpk= 446, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 45, 489,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL HA 4 VAL MGY 2.80 (# 447:25 Unique 2.41, 3.24 A)
&rst
ixpk= 447, nxpk= 25, iat= 67, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:449 24 THR MG2 2.80 (# 449:25 Single Ambig)
&rst
ixpk= 449, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 383, 381,
igr2= 385, 386, 387,
&end
#
# 104 PRO HD+ 115 VAL MGX 3.50 (# 451:25 Unique 2.03, 3.85 A)
&rst
ixpk= 451, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1546,1547,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 7 VAL HA 7 VAL MGY 3.50 (# 452:25 Unique 2.48, 3.57 A)
&rst
ixpk= 452, nxpk= 25, iat= 120, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL HA 7 VAL MGX 3.50 (# 453:25 Unique 2.48, 3.57 A)
&rst
ixpk= 453, nxpk= 25, iat= 120, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 91 VAL HA 91 VAL MGX 3.50 (# 454:25 Unique 2.35, 3.53 A)
&rst
ixpk= 454, nxpk= 25, iat=1332, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 3 LYS HA 31 ALA MB 2.80 (# 455:25 Unique 2.21, 3.45 A)
&rst
ixpk= 455, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 481, 482, 483,
&end
#
# 31 ALA HA 31 ALA MB 2.80 (# 456:25 Unique 2.44, 2.67 A)
&rst
ixpk= 456, nxpk= 25, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 481, 482, 483,
&end
#
# 0 AMB 25-2:458 4 VAL MGX 4.50 (# 458:25 Single Ambig)
&rst
ixpk= 458, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 45, 489,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL HA 4 VAL MGX 2.80 (# 459:25 Unique 2.41, 3.24 A)
&rst
ixpk= 459, nxpk= 25, iat= 67, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL HA 76 VAL MGY 4.50 (# 460:25 Unique 4.46, 6.15 A)
&rst
ixpk= 460, nxpk= 25, iat= 67, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 4 VAL HA 75 VAL MGX 4.50 (# 461:25 Unique 1.98, 3.89 A)
&rst
ixpk= 461, nxpk= 25, iat= 67, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 75 VAL HA 75 VAL MGX 3.50 (# 462:25 Unique 2.48, 3.53 A)
&rst
ixpk= 462, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 50 MET HA 53 VAL MGX 4.50 (# 463:25 Unique 2.24, 4.32 A)
&rst
ixpk= 463, nxpk= 25, iat= 745, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 88 PRO HA 91 VAL MGY 2.80 (# 465:25 Unique 2.04, 3.75 A)
&rst
ixpk= 465, nxpk= 25, iat=1287, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 30 ILE HA 30 ILE QG2 2.80 (# 467:25 Unique 2.23, 3.01 A)
&rst
ixpk= 467, nxpk= 25, iat= 460, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 464, 465, 466,
&end
#
# 57 ILE HA 57 ILE QG2 2.80 (# 468:25 Unique 2.33, 3.05 A)
&rst
ixpk= 468, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 850, 851, 852,
&end
#
# 125 ASN HA 128 ALA MB 2.80 (# 469:25 Unique 2.48, 3.45 A)
&rst
ixpk= 469, nxpk= 25, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1942,1943,1944,
&end
#
# 128 ALA HA 128 ALA MB 2.80 (# 470:25 Unique 2.45, 2.66 A)
&rst
ixpk= 470, nxpk= 25, iat=1940, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1942,1943,1944,
&end
#
# 27 ALA HA 27 ALA MB 2.80 (# 471:25 Unique 2.46, 2.67 A)
&rst
ixpk= 471, nxpk= 25, iat= 421, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 423, 424, 425,
&end
#
# 48 ALA HA 48 ALA MB 2.80 (# 472:25 Unique 2.41, 2.67 A)
&rst
ixpk= 472, nxpk= 25, iat= 718, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 720, 721, 722,
&end
#
# 95 ILE HA 95 ILE QG2 3.50 (# 473:25 Unique 3.71, 3.94 A)
&rst
ixpk= 473, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1398,1399,1400,
&end
#
# 90 TRP HA 70 ALA MB 3.50 (# 474:25 Unique 2.26, 3.09 A)
&rst
ixpk= 474, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1035,1036,1037,
&end
#
# 104 PRO HD+ 46 ALA MB 5.50 (# 475:25 Unique 4.51, 6.13 A)
&rst
ixpk= 475, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1546,1547,
igr2= 691, 692, 693,
&end
#
# 0 AMB 25-2:476 0 AMB 25-1:476 2.80 (# 476:25 Double Ambig)
&rst
ixpk= 476, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 414, 415, 718,
igr2=1925,1926,1927, 703, 704, 705,
&end
#
# 130 ILE HA 130 ILE QG2 2.80 (# 477:25 Unique 2.28, 3.01 A)
&rst
ixpk= 477, nxpk= 25, iat=1972, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1976,1977,1978,
&end
#
# 55 ILE HA 55 ILE QG2 3.50 (# 478:25 Unique 2.66, 3.38 A)
&rst
ixpk= 478, nxpk= 25, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 819, 820, 821,
&end
#
# 116 ARG HA 50 MET ME 4.50 (# 480:25 Unique 3.80, 5.55 A)
&rst
ixpk= 480, nxpk= 25, iat=1732, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 754, 755, 756,
&end
#
# 50 MET HA 17 MET ME 4.50 (# 481:25 Unique 3.25, 4.40 A)
&rst
ixpk= 481, nxpk= 25, iat= 745, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 289, 290, 291,
&end
#
# 21 PHE HA 55 ILE QD1 3.50 (# 482:25 Unique 2.28, 3.10 A)
&rst
ixpk= 482, nxpk= 25, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 826, 827, 828,
&end
#
# 24 THR HB 55 ILE QD1 3.50 (# 483:25 Unique 2.64, 3.54 A)
&rst
ixpk= 483, nxpk= 25, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 826, 827, 828,
&end
#
# 26 GLY HA+ 127 ILE QD1 3.50 (# 484:25 Unique 2.78, 4.03 A)
&rst
ixpk= 484, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 414, 415,
igr2=1932,1933,1934,
&end
#
# 44 PRO HA 47 ILE QD1 2.80 (# 485:25 Unique 2.22, 3.51 A)
&rst
ixpk= 485, nxpk= 25, iat= 669, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 710, 711, 712,
&end
#
# 119 VAL MGY 119 VAL HA 2.80 (# 486:25 Unique 2.35, 3.15 A)
&rst
ixpk= 486, nxpk= 25, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 25-2:487 119 VAL HA 2.80 (# 487:25 Single Ambig)
&rst
ixpk= 487, nxpk= 25, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1508,1509,1510,1512,1513,1514,1784,1785,1786,1788,
1789,1790,
&end
#
# 130 ILE HG1- 127 ILE HA 2.80 (# 489:25 Unique 2.10, 2.65 A)
&rst
ixpk= 489, nxpk= 25, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1980,1981,
&end
#
# 0 AMB 25-2:490 0 AMB 25-1:490 2.80 (# 490:25 Double Ambig)
&rst
ixpk= 490, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 703, 704, 705,1925,1926,1927,
igr2= 699,1921,
&end
#
# 0 AMB 25-2:491 127 ILE HA 2.80 (# 491:25 Single Ambig)
&rst
ixpk= 491, nxpk= 25, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 471, 472, 473,1932,1933,1934,
&end
#
# 0 AMB 25-2:492 0 AMB 25-1:492 5.50 (# 492:25 Double Ambig)
&rst
ixpk= 492, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 691, 692, 693, 446, 447, 440, 441,1958,1959,
igr2= 699,1921,
&end
#
# 0 AMB 25-2:493 0 AMB 25-1:493 2.80 (# 493:25 Double Ambig)
&rst
ixpk= 493, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 854, 855,1909,1910,1911,1913,1914,1915,
igr2= 699,1921,
&end
#
# 0 AMB 25-2:494 47 ILE HA 2.80 (# 494:25 Single Ambig)
&rst
ixpk= 494, nxpk= 25, iat= -1, 699, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 857, 858, 859, 707, 708,
&end
#
# 122 ARG HB+ 122 ARG HA 2.80 (# 495:25 Unique 2.36, 2.74 A)
&rst
ixpk= 495, nxpk= 25, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1835,1836,
&end
#
# 122 ARG HG+ 122 ARG HA 3.50 (# 496:25 Unique 2.23, 2.94 A)
&rst
ixpk= 496, nxpk= 25, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1838,1839,
&end
#
# 0 AMB 25-2:497 44 PRO HD- 2.80 (# 497:25 Single Ambig)
&rst
ixpk= 497, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 663, 664, 666, 667,
igr2= 660, 661,
&end
#
# 17 MET ME 20 GLY HA- 4.50 (# 498:25 Unique 2.63, 4.59 A)
&rst
ixpk= 498, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 289, 290, 291,
igr2= 322, 323,
&end
#
# 57 ILE QG2 20 GLY HA- 3.50 (# 499:25 Unique 2.37, 3.30 A)
&rst
ixpk= 499, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 850, 851, 852,
igr2= 322, 323,
&end
#
# 55 ILE QG2 20 GLY HA- 3.50 (# 500:25 Unique 2.29, 3.41 A)
&rst
ixpk= 500, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 819, 820, 821,
igr2= 322, 323,
&end
#
# 2 LYS HD- 74 ASP HB+ 5.50 (# 501:25 Unique 4.06, 5.17 A)
&rst
ixpk= 501, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 31, 32,
igr2=1090,1091,
&end
#
# 75 VAL MGX 74 ASP HB+ 2.80 (# 502:25 Unique 2.33, 5.60 A)
&rst
ixpk= 502, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1104,1105,1106,1108,1109,1110,
igr2=1090,1091,
&end
#
# 41 ARG HB- 41 ARG HD+ 2.80 (# 503:25 Unique 2.32, 3.06 A)
&rst
ixpk= 503, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 606, 607,
igr2= 612, 613,
&end
#
# 0 AMB 25-2:504 0 AMB 25-1:504 2.80 (# 504:25 Double Ambig)
&rst
ixpk= 504, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 609, 610, 609, 610,
igr2= 612, 613, 612, 613,
&end
#
# 113 ARG HG- 113 ARG HD- 2.80 (# 507:25 Unique 2.36, 2.75 A)
&rst
ixpk= 507, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1683,1684,
igr2=1686,1687,
&end
#
# 0 AMB 25-2:508 0 AMB 25-1:508 4.50 (# 508:25 Double Ambig)
&rst
ixpk= 508, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1613,1680,1681,
igr2=1686,1687,1686,1687,
&end
#
# 2 LYS HG- 2 LYS HE+ 2.80 (# 509:25 Unique 2.22, 3.23 A)
&rst
ixpk= 509, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 28, 29,
igr2= 34, 35,
&end
#
# 0 AMB 25-2:510 0 AMB 25-1:510 3.50 (# 510:25 Double Ambig)
&rst
ixpk= 510, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 28, 29, 31, 32, 31, 32,
igr2= 34, 35, 34, 35, 34, 35,
&end
#
# 0 AMB 25-2:511 0 AMB 25-1:511 2.80 (# 511:25 Double Ambig)
&rst
ixpk= 511, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 464, 465, 466,1925,1926,1927,
igr2= 34, 35, 449, 450,
&end
#
# 0 AMB 25-2:513 0 AMB 25-1:513 2.80 (# 513:25 Double Ambig)
&rst
ixpk= 513, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1=1801,1802, 493, 494, 495, 497, 498, 499,
igr2=1807,1808, 370, 371,
&end
#
# 120 LYS HD- 120 LYS HE+ 2.80 (# 514:25 Unique 2.34, 2.70 A)
&rst
ixpk= 514, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1804,1805,
igr2=1807,1808,
&end
#
# 23 LYS HB- 23 LYS HE+ 3.50 (# 515:25 Unique 2.03, 3.12 A)
&rst
ixpk= 515, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 361, 362,
igr2= 370, 371,
&end
#
# 0 AMB 25-2:516 0 AMB 25-1:516 3.50 (# 516:25 Double Ambig)
&rst
ixpk= 516, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 361, 362,1952,1953,
igr2= 370, 371,1961,1962,
&end
#
# 0 AMB 25-2:517 0 AMB 25-1:517 2.80 (# 517:25 Double Ambig)
&rst
ixpk= 517, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1958,1959, 367, 368,
igr2=1961,1962, 370, 371,
&end
#
# 0 AMB 25-2:518 0 AMB 25-1:518 5.50 (# 518:25 Double Ambig)
&rst
ixpk= 518, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
1866,1867,
igr2= 331, 332, 331, 332,
&end
#
# 0 AMB 25-2:519 21 PHE HB- 3.50 (# 519:25 Single Ambig)
&rst
ixpk= 519, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
1866,1867,
igr2= 331, 332,
&end
#
# 0 AMB 25-2:520 0 AMB 25-1:520 3.50 (# 520:25 Double Ambig)
&rst
ixpk= 520, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 754, 755, 756, 282, 283,
igr2= 285, 286, 285, 286,
&end
#
# 61 THR MG2 61 THR HB 2.80 (# 521:25 Unique 2.33, 2.64 A)
&rst
ixpk= 521, nxpk= 25, iat= -1, 902, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 904, 905, 906,
&end
#
# 24 THR MG2 24 THR HB 2.80 (# 524:25 Unique 2.32, 2.60 A)
&rst
ixpk= 524, nxpk= 25, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 385, 386, 387,
&end
#
# 55 ILE QD1 24 THR HB 3.50 (# 525:25 Unique 2.64, 3.54 A)
&rst
ixpk= 525, nxpk= 25, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 826, 827, 828,
&end
#
# 92 THR MG2 92 THR HB 2.80 (# 526:25 Unique 2.28, 2.65 A)
&rst
ixpk= 526, nxpk= 25, iat= -1,1350, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1352,1353,1354,
&end
#
# 114 THR MG2 114 THR HB 2.80 (# 527:25 Unique 2.33, 2.61 A)
&rst
ixpk= 527, nxpk= 25, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1706,1707,1708,
&end
#
# 114 THR MG2 114 THR HA 2.80 (# 528:25 Unique 2.73, 3.38 A)
&rst
ixpk= 528, nxpk= 25, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1706,1707,1708,
&end
#
# 24 THR MG2 24 THR HA 2.80 (# 529:25 Unique 2.65, 3.40 A)
&rst
ixpk= 529, nxpk= 25, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 385, 386, 387,
&end
#
# 47 ILE QD1 44 PRO HA 2.80 (# 530:25 Unique 2.22, 3.51 A)
&rst
ixpk= 530, nxpk= 25, iat= -1, 669, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 710, 711, 712,
&end
#
# 91 VAL MGY 88 PRO HA 2.80 (# 531:25 Unique 2.04, 3.75 A)
&rst
ixpk= 531, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 65 ILE HB 65 ILE HA 3.50 (# 532:25 Unique 2.44, 2.51 A)
&rst
ixpk= 532, nxpk= 25, iat= 953, 951, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 ILE HG1- 65 ILE HA 3.50 (# 533:25 Unique 2.26, 2.72 A)
&rst
ixpk= 533, nxpk= 25, iat= -1, 951, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 959, 960,
&end
#
# 65 ILE QG2 65 ILE HA 3.50 (# 534:25 Unique 3.73, 3.96 A)
&rst
ixpk= 534, nxpk= 25, iat= -1, 951, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 955, 956, 957,
&end
#
# 55 ILE QD1 21 PHE HA 3.50 (# 535:25 Unique 2.28, 3.10 A)
&rst
ixpk= 535, nxpk= 25, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 826, 827, 828,
&end
#
# 84 VAL MGY 84 VAL HA 3.50 (# 536:25 Unique 2.27, 3.48 A)
&rst
ixpk= 536, nxpk= 25, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1220,1221,1222,1224,1225,1226,
&end
#
# 33 THR MG2 33 THR HA 2.80 (# 537:25 Unique 2.47, 3.17 A)
&rst
ixpk= 537, nxpk= 25, iat= -1, 505, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 509, 510, 511,
&end
#
# 130 ILE QG2 130 ILE HA 2.80 (# 538:25 Unique 2.28, 3.01 A)
&rst
ixpk= 538, nxpk= 25, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1976,1977,1978,
&end
#
# 57 ILE QG2 57 ILE HA 2.80 (# 539:25 Unique 2.33, 3.05 A)
&rst
ixpk= 539, nxpk= 25, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 850, 851, 852,
&end
#
# 61 THR MG2 61 THR HA 3.50 (# 540:25 Unique 2.29, 3.33 A)
&rst
ixpk= 540, nxpk= 25, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 904, 905, 906,
&end
#
# 55 ILE QG2 55 ILE HA 2.80 (# 542:25 Unique 2.66, 3.38 A)
&rst
ixpk= 542, nxpk= 25, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 819, 820, 821,
&end
#
# 0 AMB 25-2:543 55 ILE HA 2.80 (# 543:25 Single Ambig)
&rst
ixpk= 543, nxpk= 25, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
igr1= 817, 796, 797, 798, 800, 801, 802,
&end
#
# 75 VAL MGY 75 VAL HA 3.50 (# 544:25 Unique 2.48, 3.53 A)
&rst
ixpk= 544, nxpk= 25, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 25-2:545 95 ILE HA 4.50 (# 545:25 Single Ambig)
&rst
ixpk= 545, nxpk= 25, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1398,1399,1400,1405,1406,1407,
&end
#
# 91 VAL MGY 91 VAL HA 3.50 (# 546:25 Unique 2.35, 3.53 A)
&rst
ixpk= 546, nxpk= 25, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 91 VAL MGX 91 VAL HA 2.80 (# 547:25 Unique 2.35, 3.53 A)
&rst
ixpk= 547, nxpk= 25, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 55 ILE HG1+ 55 ILE HA 3.50 (# 548:25 Unique 2.05, 3.01 A)
&rst
ixpk= 548, nxpk= 25, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 823, 824,
&end
#
# 70 ALA MB 90 TRP HA 2.80 (# 549:25 Unique 2.26, 3.09 A)
&rst
ixpk= 549, nxpk= 25, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1035,1036,1037,
&end
#
# 65 ILE QG2 66 GLU HA 3.50 (# 550:25 Unique 3.38, 4.32 A)
&rst
ixpk= 550, nxpk= 25, iat= -1, 970, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 955, 956, 957,
&end
#
# 0 AMB 25-2:551 126 LEU HA 2.80 (# 551:25 Single Ambig)
&rst
ixpk= 551, nxpk= 25, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,
&end
#
# 109 LEU HB- 109 LEU HA 3.50 (# 552:25 Unique 2.40, 2.78 A)
&rst
ixpk= 552, nxpk= 25, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1610,1611,
&end
#
# 109 LEU MDX 109 LEU HA 2.80 (# 553:25 Unique 2.17, 3.73 A)
&rst
ixpk= 553, nxpk= 25, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1615,1616,1617,1619,1620,1621,
&end
#
# 29 LYS HG+ 29 LYS HA 3.50 (# 554:25 Unique 2.64, 3.35 A)
&rst
ixpk= 554, nxpk= 25, iat= -1, 438, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 443, 444,
&end
#
# 25 LEU MDX 25 LEU HA 4.50 (# 555:25 Unique 2.25, 3.96 A)
&rst
ixpk= 555, nxpk= 25, iat= -1, 395, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 402, 403, 404, 406, 407, 408,
&end
#
# 77 ILE QD1 77 ILE HA 3.50 (# 556:25 Unique 2.17, 3.18 A)
&rst
ixpk= 556, nxpk= 25, iat= -1,1132, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1143,1144,1145,
&end
#
# 48 ALA MB 48 ALA HA 2.80 (# 557:25 Unique 2.41, 2.67 A)
&rst
ixpk= 557, nxpk= 25, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 720, 721, 722,
&end
#
# 47 ILE QG2 48 ALA HA 3.50 (# 558:25 Unique 3.19, 4.34 A)
&rst
ixpk= 558, nxpk= 25, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 703, 704, 705,
&end
#
# 127 ILE QG2 128 ALA HA 4.50 (# 559:25 Unique 3.40, 4.53 A)
&rst
ixpk= 559, nxpk= 25, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1925,1926,1927,
&end
#
# 101 LEU MDX 101 LEU HA 3.50 (# 560:25 Unique 2.09, 3.86 A)
&rst
ixpk= 560, nxpk= 25, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1508,1509,1510,1512,1513,1514,
&end
#
# 86 LEU MDY 86 LEU HA 3.50 (# 561:25 Unique 2.24, 4.25 A)
&rst
ixpk= 561, nxpk= 25, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1253,1254,1255,1257,1258,1259,
&end
#
# 0 AMB 25-2:562 0 AMB 25-1:562 3.50 (# 562:25 Double Ambig)
&rst
ixpk= 562, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 468, 469, 443, 444,
igr2= 414, 415, 414, 415,
&end
#
# 30 ILE HG1+ 26 GLY HA+ 2.80 (# 563:25 Unique 2.16, 2.93 A)
&rst
ixpk= 563, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 468, 469,
igr2= 414, 415,
&end
#
# 0 AMB 25-2:564 0 AMB 25-1:564 2.80 (# 564:25 Double Ambig)
&rst
ixpk= 564, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 471, 472, 473,1932,1933,1934,
igr2= 414, 415, 414, 415,
&end
#
# 122 ARG HG+ 122 ARG HD+ 2.80 (# 567:25 Unique 2.26, 2.75 A)
&rst
ixpk= 567, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1838,1839,
igr2=1841,1842,
&end
#
# 30 ILE HG1+ 30 ILE HB 3.50 (# 568:25 Unique 2.41, 2.74 A)
&rst
ixpk= 568, nxpk= 25, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 468, 469,
&end
#
# 30 ILE QG2 30 ILE HB 2.80 (# 569:25 Unique 2.36, 2.64 A)
&rst
ixpk= 569, nxpk= 25, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 464, 465, 466,
&end
#
# 0 AMB 25-2:570 126 LEU HB- 2.80 (# 570:25 Single Ambig)
&rst
ixpk= 570, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,
igr2=1904,1905,
&end
#
# 0 AMB 25-2:571 0 AMB 25-1:571 2.80 (# 571:25 Double Ambig)
&rst
ixpk= 571, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
1866,1867,
igr2= 397, 398, 397, 398,
&end
#
# 127 ILE QD1 25 LEU HB+ 3.50 (# 572:25 Unique 2.27, 2.78 A)
&rst
ixpk= 572, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1932,1933,1934,
igr2= 397, 398,
&end
#
# 0 AMB 25-2:573 95 ILE HB 2.80 (# 573:25 Single Ambig)
&rst
ixpk= 573, nxpk= 25, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1398,1399,1400,1405,1406,1407,
&end
#
# 130 ILE QD1 130 ILE HB 2.80 (# 574:25 Unique 2.61, 3.26 A)
&rst
ixpk= 574, nxpk= 25, iat= -1,1974, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1983,1984,1985,
&end
#
# 130 ILE QG2 130 ILE HB 2.80 (# 575:25 Unique 2.36, 2.65 A)
&rst
ixpk= 575, nxpk= 25, iat= -1,1974, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1976,1977,1978,
&end
#
# 57 ILE QD1 57 ILE HB 2.80 (# 576:25 Unique 2.37, 3.05 A)
&rst
ixpk= 576, nxpk= 25, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 857, 858, 859,
&end
#
# 57 ILE QG2 57 ILE HB 2.80 (# 577:25 Unique 2.24, 2.65 A)
&rst
ixpk= 577, nxpk= 25, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 850, 851, 852,
&end
#
# 127 ILE QG2 127 ILE HB 2.80 (# 578:25 Unique 2.46, 2.66 A)
&rst
ixpk= 578, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1925,1926,1927,
&end
#
# 0 AMB 25-2:579 0 AMB 25-1:579 2.80 (# 579:25 Double Ambig)
&rst
ixpk= 579, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
1866,1867,
igr2=1878,1879,1878,1879,
&end
#
# 0 AMB 25-2:580 124 GLU HG- 2.80 (# 580:25 Single Ambig)
&rst
ixpk= 580, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
1866,1867,
igr2=1878,1879,
&end
#
# 101 LEU MDX 14 ARG HB- 5.50 (# 581:25 Unique 2.34, 6.61 A)
&rst
ixpk= 581, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1508,1509,1510,1512,1513,1514,
igr2= 230, 231,
&end
#
# 95 ILE QD1 97 GLU HG+ 4.50 (# 582:25 Unique 2.31, 3.90 A)
&rst
ixpk= 582, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1405,1406,1407,
igr2=1438,1439,
&end
#
# 0 AMB 25-2:583 0 AMB 25-1:583 3.50 (# 583:25 Double Ambig)
&rst
ixpk= 583, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 850, 851, 852,1646,1647,1648,1650,1651,1652,
igr2= 312, 313,1525,1526,
&end
#
# 32 VAL MGY 19 GLU HG+ 4.50 (# 584:25 Unique 4.21, 6.33 A)
&rst
ixpk= 584, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 312, 313,
&end
#
# 70 ALA MB 89 GLU HG+ 3.50 (# 585:25 Unique 2.24, 3.62 A)
&rst
ixpk= 585, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1035,1036,1037,
igr2=1298,1299,
&end
#
# 0 AMB 25-2:586 97 GLU HG- 2.80 (# 586:25 Single Ambig)
&rst
ixpk= 586, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1405,1406,1407,1104,1105,1106,1108,1109,1110,
igr2=1438,1439,
&end
#
# 0 AMB 25-2:587 0 AMB 25-1:587 2.80 (# 587:25 Double Ambig)
&rst
ixpk= 587, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 850, 851, 852,1646,1647,1648,1650,1651,1652,
igr2= 312, 313,1525,1526,
&end
#
# 70 ALA MB 89 GLU HG- 3.50 (# 588:25 Unique 2.24, 3.62 A)
&rst
ixpk= 588, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1035,1036,1037,
igr2=1298,1299,
&end
#
# 126 LEU MDY 97 GLU HG- 3.50 (# 589:25 Unique 2.45, 5.23 A)
&rst
ixpk= 589, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1909,1910,1911,1913,1914,1915,
igr2=1438,1439,
&end
#
# 0 AMB 25-2:590 75 VAL HB 4.50 (# 590:25 Single Ambig)
&rst
ixpk= 590, nxpk= 25, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 71, 72, 73, 75, 76, 77,1104,1105,1106,1108,
1109,1110,
&end
#
# 4 VAL MGX 75 VAL HB 4.50 (# 591:25 Unique 2.16, 4.80 A)
&rst
ixpk= 591, nxpk= 25, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 76 VAL MGX 76 VAL HB 2.80 (# 592:25 Unique 2.39, 2.68 A)
&rst
ixpk= 592, nxpk= 25, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:593 0 AMB 25-1:593 2.80 (# 593:25 Double Ambig)
&rst
ixpk= 593, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1398,1399,1400,1104,1105,1106,1108,1109,1110, 464,
465, 466,1976,1977,1978,
igr2=1102, 440, 441,
&end
#
# 32 VAL MGY 32 VAL HB 2.80 (# 594:25 Unique 2.40, 2.66 A)
&rst
ixpk= 594, nxpk= 25, iat= -1, 491, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL MGY 4 VAL HB 3.50 (# 595:25 Unique 2.24, 3.72 A)
&rst
ixpk= 595, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL MGX 4 VAL HB 4.50 (# 596:25 Unique 2.24, 3.72 A)
&rst
ixpk= 596, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 4 VAL MGY 4 VAL HB 2.80 (# 597:25 Unique 2.28, 2.65 A)
&rst
ixpk= 597, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL MGX 4 VAL HB 2.80 (# 598:25 Unique 2.28, 2.65 A)
&rst
ixpk= 598, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 77 ILE QD1 97 GLU HB- 3.50 (# 599:25 Unique 2.08, 3.54 A)
&rst
ixpk= 599, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1143,1144,1145,
igr2=1435,1436,
&end
#
# 111 VAL MGY 107 GLN HG+ 4.50 (# 600:25 Unique 2.25, 4.40 A)
&rst
ixpk= 600, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1585,1586,
&end
#
# 0 AMB 25-2:601 0 AMB 25-1:601 2.80 (# 601:25 Double Ambig)
&rst
ixpk= 601, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1784,1785,1786,1788,1789,1790,1646,1647,1648,1650,
1651,1652,
igr2= 282, 283,1585,1586,
&end
#
# 111 VAL MGX 107 GLN HG- 2.80 (# 602:25 Unique 2.25, 4.40 A)
&rst
ixpk= 602, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1585,1586,
&end
#
# 111 VAL MGX 107 GLN HG+ 3.50 (# 603:25 Unique 2.25, 4.40 A)
&rst
ixpk= 603, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1585,1586,
&end
#
# 0 AMB 25-2:604 0 AMB 25-1:604 2.80 (# 604:25 Double Ambig)
&rst
ixpk= 604, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 464, 465, 466,1104,1105,1106,1108,1109,1110,
igr2= 25, 26, 25, 26,
&end
#
# 115 VAL MGY 118 GLN HG- 3.50 (# 605:25 Unique 3.77, 6.03 A)
&rst
ixpk= 605, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1720,1721,1722,1724,1725,1726,
igr2=1768,1769,
&end
#
# 45 THR MG2 49 MET HG+ 3.50 (# 606:25 Unique 2.39, 4.05 A)
&rst
ixpk= 606, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 679, 680, 681,
igr2= 733, 734,
&end
#
# 17 MET ME 50 MET HG+ 3.50 (# 607:25 Unique 2.02, 3.80 A)
&rst
ixpk= 607, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 289, 290, 291,
igr2= 750, 751,
&end
#
# 0 AMB 25-2:611 0 AMB 25-1:611 2.80 (# 611:25 Double Ambig)
&rst
ixpk= 611, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 265, 266,1549,1550,1552,1553,
igr2= 630,1718,
&end
#
# 0 AMB 25-2:612 0 AMB 25-1:612 2.80 (# 612:25 Double Ambig)
&rst
ixpk= 612, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726, 632, 633, 634, 636, 637, 638,
igr2=1718, 630,
&end
#
# 16 GLN HB- 16 GLN HG+ 2.80 (# 613:25 Unique 2.29, 2.75 A)
&rst
ixpk= 613, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 265, 266,
igr2= 268, 269,
&end
#
# 91 VAL MGX 91 VAL HB 2.80 (# 614:25 Unique 2.38, 2.65 A)
&rst
ixpk= 614, nxpk= 25, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 91 VAL MGY 91 VAL HB 2.80 (# 615:25 Unique 2.38, 2.65 A)
&rst
ixpk= 615, nxpk= 25, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 111 VAL MGY 111 VAL HB 2.80 (# 616:25 Unique 2.41, 2.68 A)
&rst
ixpk= 616, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 111 VAL MGX 111 VAL HB 2.80 (# 617:25 Unique 2.41, 2.68 A)
&rst
ixpk= 617, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 0 AMB 25-2:619 0 AMB 25-1:619 2.80 (# 619:25 Double Ambig)
&rst
ixpk= 619, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 471, 472, 473,1932,1933,1934,
igr2=1929,1930,1929,1930,
&end
#
# 53 VAL MGY 52 GLU HB+ 4.50 (# 620:25 Unique 2.26, 5.49 A)
&rst
ixpk= 620, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 796, 797, 798, 800, 801, 802,
igr2= 779, 780,
&end
#
# 0 AMB 25-2:621 0 AMB 25-1:621 2.80 (# 621:25 Double Ambig)
&rst
ixpk= 621, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
igr2=1522,1523,1522,1523,
&end
#
# 0 AMB 25-2:622 0 AMB 25-1:622 3.50 (# 622:25 Double Ambig)
&rst
ixpk= 622, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1646,1647,1648,1650,1651,1652,1552,1553,
igr2=1582,1583,1582,1583,
&end
#
# 111 VAL MGX 107 GLN HB+ 3.50 (# 623:25 Unique 2.34, 4.58 A)
&rst
ixpk= 623, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1582,1583,
&end
#
# 0 AMB 25-2:624 0 AMB 25-1:624 3.50 (# 624:25 Double Ambig)
&rst
ixpk= 624, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.15, r4= 8.90,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915, 493, 494, 495, 497, 498, 499, 468, 469,
igr2=1958,1959,1958,1959, 367, 368, 446, 447,
&end
#
# 0 AMB 25-2:625 0 AMB 25-1:625 2.80 (# 625:25 Double Ambig)
&rst
ixpk= 625, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.15, r4= 6.90,
igr1=1925,1926,1927, 823, 824, 493, 494, 495, 497, 498,
499,1976,1977,1978,
igr2= 446, 447, 367, 368, 367, 368,1958,1959,
&end
#
# 0 AMB 25-2:626 0 AMB 25-1:626 3.50 (# 626:25 Double Ambig)
&rst
ixpk= 626, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 703, 704, 705,1801,1802,
igr2= 764, 765,1875,1876,
&end
#
# 111 VAL MGX 107 GLN HB- 2.80 (# 627:25 Unique 2.34, 4.58 A)
&rst
ixpk= 627, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1582,1583,
&end
#
# 55 ILE QD1 23 LYS HD+ 3.50 (# 628:25 Unique 3.80, 5.46 A)
&rst
ixpk= 628, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 826, 827, 828,
igr2= 367, 368,
&end
#
# 47 ILE QG2 51 GLU HB+ 3.50 (# 629:25 Unique 2.93, 4.17 A)
&rst
ixpk= 629, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 703, 704, 705,
igr2= 764, 765,
&end
#
# 0 AMB 25-2:630 0 AMB 25-1:630 2.80 (# 630:25 Double Ambig)
&rst
ixpk= 630, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1= 854, 855,1646,1647,1648,1650,1651,1652,
igr2= 747, 748,1629,1630,
&end
#
# 17 MET ME 50 MET HB+ 4.50 (# 631:25 Unique 2.22, 4.00 A)
&rst
ixpk= 631, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 289, 290, 291,
igr2= 747, 748,
&end
#
# 55 ILE HB 50 MET HB- 2.80 (# 633:25 Unique 2.11, 2.80 A)
&rst
ixpk= 633, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 747, 748,
&end
#
# 65 ILE QG2 66 GLU HB+ 4.50 (# 634:25 Unique 3.86, 5.42 A)
&rst
ixpk= 634, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 955, 956, 957,
igr2= 972, 973,
&end
#
# 0 AMB 25-2:635 118 GLN HB- 3.50 (# 635:25 Single Ambig)
&rst
ixpk= 635, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1508,1509,1510,1512,1513,1514,1720,1721,1722,1724,
1725,1726,1720,1721,1722,1724,1725,1726,
igr2=1765,1766,
&end
#
# 25 LEU MDY 25 LEU HG 2.80 (# 636:25 Unique 2.38, 2.66 A)
&rst
ixpk= 636, nxpk= 25, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 402, 403, 404, 406, 407, 408,
&end
#
# 70 ALA MB 89 GLU HB- 3.50 (# 638:25 Unique 2.16, 4.22 A)
&rst
ixpk= 638, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1035,1036,1037,
igr2=1295,1296,
&end
#
# 65 ILE QG2 37 LEU HG 3.50 (# 639:25 Unique 2.38, 3.62 A)
&rst
ixpk= 639, nxpk= 25, iat= -1, 553, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 955, 956, 957,
&end
#
# 109 LEU MDY 109 LEU HG 2.80 (# 640:25 Unique 2.39, 2.66 A)
&rst
ixpk= 640, nxpk= 25, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1615,1616,1617,1619,1620,1621,
&end
#
# 109 LEU MDX 109 LEU HG 2.80 (# 641:25 Unique 2.39, 2.66 A)
&rst
ixpk= 641, nxpk= 25, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1615,1616,1617,1619,1620,1621,
&end
#
# 109 LEU MDY 49 MET ME 2.80 (# 642:25 Unique 2.34, 4.61 A)
&rst
ixpk= 642, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1615,1616,1617,1619,1620,1621,
igr2= 737, 738, 739,
&end
#
# 109 LEU MDX 49 MET ME 2.80 (# 643:25 Unique 2.34, 4.61 A)
&rst
ixpk= 643, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1615,1616,1617,1619,1620,1621,
igr2= 737, 738, 739,
&end
#
# 45 THR MG2 49 MET ME 2.80 (# 644:25 Unique 2.40, 4.12 A)
&rst
ixpk= 644, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 679, 680, 681,
igr2= 737, 738, 739,
&end
#
# 123 VAL MGY 22 ALA MB 2.80 (# 645:25 Unique 2.29, 4.62 A)
&rst
ixpk= 645, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1861,1862,1863,1865,1866,1867,
igr2= 351, 352, 353,
&end
#
# 0 AMB 25-2:646 22 ALA MB 2.80 (# 646:25 Single Ambig)
&rst
ixpk= 646, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1932,1933,1934, 471, 472, 473,
igr2= 351, 352, 353,
&end
#
# 42 VAL MGY 46 ALA MB 2.80 (# 647:25 Unique 2.79, 5.71 A)
&rst
ixpk= 647, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 632, 633, 634, 636, 637, 638,
igr2= 691, 692, 693,
&end
#
# 0 AMB 25-2:648 46 ALA MB 4.50 (# 648:25 Single Ambig)
&rst
ixpk= 648, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 857, 858, 859, 707, 708,
igr2= 691, 692, 693,
&end
#
# 30 ILE QG2 1 MET ME 4.50 (# 649:25 Unique 5.10, 6.67 A)
&rst
ixpk= 649, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 464, 465, 466,
igr2= 15, 16, 17,
&end
#
# 0 AMB 25-2:650 50 MET ME 2.80 (# 650:25 Single Ambig)
&rst
ixpk= 650, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1549,1550, 265, 266,
igr2= 754, 755, 756,
&end
#
# 0 AMB 25-2:651 50 MET ME 3.50 (# 651:25 Single Ambig)
&rst
ixpk= 651, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
igr2= 754, 755, 756,
&end
#
# 0 AMB 25-2:652 0 AMB 25-1:652 2.80 (# 652:25 Double Ambig)
&rst
ixpk= 652, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1961,1962, 370, 371,
igr2=1958,1959, 367, 368,
&end
#
# 120 LYS HE+ 120 LYS HD- 2.80 (# 653:25 Unique 2.34, 2.70 A)
&rst
ixpk= 653, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1807,1808,
igr2=1804,1805,
&end
#
# 120 LYS HE+ 120 LYS HD+ 3.50 (# 654:25 Unique 2.34, 2.70 A)
&rst
ixpk= 654, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1807,1808,
igr2=1804,1805,
&end
#
# 2 LYS HE+ 2 LYS HD+ 2.80 (# 655:25 Unique 2.29, 2.63 A)
&rst
ixpk= 655, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 34, 35,
igr2= 31, 32,
&end
#
# 2 LYS HE+ 2 LYS HD- 3.50 (# 656:25 Unique 2.29, 2.63 A)
&rst
ixpk= 656, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 34, 35,
igr2= 31, 32,
&end
#
# 3 LYS HE+ 3 LYS HD+ 2.80 (# 657:25 Unique 2.29, 2.76 A)
&rst
ixpk= 657, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 56, 57,
igr2= 53, 54,
&end
#
# 122 ARG HA 122 ARG HB+ 3.50 (# 659:25 Unique 2.36, 2.74 A)
&rst
ixpk= 659, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1835,1836,
&end
#
# 2 LYS HE+ 2 LYS HG+ 3.50 (# 662:25 Unique 2.22, 3.23 A)
&rst
ixpk= 662, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 34, 35,
igr2= 28, 29,
&end
#
# 21 PHE HB+ 25 LEU MDY 5.50 (# 663:25 Unique 2.21, 4.99 A)
&rst
ixpk= 663, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 331, 332,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 120 LYS HE- 25 LEU MDY 3.50 (# 664:25 Unique 2.48, 4.74 A)
&rst
ixpk= 664, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1807,1808,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 0 AMB 25-2:666 0 AMB 25-1:666 4.50 (# 666:25 Double Ambig)
&rst
ixpk= 666, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1234,1235,1796,
igr2= 555, 556, 557, 559, 560, 561,1801,1802,
&end
#
# 129 LYS HE+ 129 LYS HG+ 3.50 (# 667:25 Unique 2.34, 3.13 A)
&rst
ixpk= 667, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1961,1962,
igr2=1955,1956,
&end
#
# 0 AMB 25-2:668 0 AMB 25-1:668 2.80 (# 668:25 Double Ambig)
&rst
ixpk= 668, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1= 331, 332, 449, 450,
igr2=1861,1862,1863,1865,1866,1867, 443, 444,
&end
#
# 120 LYS HA 123 VAL MGX 3.50 (# 669:25 Unique 2.19, 4.78 A)
&rst
ixpk= 669, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 119 VAL HA 119 VAL MGY 2.80 (# 670:25 Unique 2.35, 3.15 A)
&rst
ixpk= 670, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 119 VAL HA 119 VAL MGX 2.80 (# 671:25 Unique 2.35, 3.15 A)
&rst
ixpk= 671, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 25-2:672 0 AMB 25-1:672 3.50 (# 672:25 Double Ambig)
&rst
ixpk= 672, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 331, 332,1961,1962,
igr2=1784,1785,1786,1788,1789,1790,1909,1910,1911,1913,
1914,1915,
&end
#
# 120 LYS HE- 25 LEU MDX 4.50 (# 673:25 Unique 2.48, 4.74 A)
&rst
ixpk= 673, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1807,1808,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 21 PHE HB+ 123 VAL MGY 3.50 (# 674:25 Unique 2.28, 3.90 A)
&rst
ixpk= 674, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 331, 332,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 116 ARG HD+ 53 VAL MGY 4.50 (# 675:25 Unique 2.11, 3.90 A)
&rst
ixpk= 675, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1740,1741,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 0 AMB 25-2:676 53 VAL MGY 2.80 (# 676:25 Single Ambig)
&rst
ixpk= 676, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1740,1741, 794,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 90 TRP HB+ 76 VAL MGX 3.50 (# 677:25 Unique 2.07, 4.67 A)
&rst
ixpk= 677, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1310,1311,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 3 LYS HE+ 31 ALA MB 3.50 (# 678:25 Unique 3.93, 5.10 A)
&rst
ixpk= 678, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 56, 57,
igr2= 481, 482, 483,
&end
#
# 0 AMB 25-2:679 76 VAL MGY 3.50 (# 679:25 Single Ambig)
&rst
ixpk= 679, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 85, 86,1069,1070,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 74 ASP HB- 75 VAL MGX 3.50 (# 680:25 Unique 2.33, 5.60 A)
&rst
ixpk= 680, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1090,1091,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 74 ASP HB+ 75 VAL MGX 2.80 (# 681:25 Unique 2.33, 5.60 A)
&rst
ixpk= 681, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1090,1091,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 25-2:682 53 VAL MGX 5.50 (# 682:25 Single Ambig)
&rst
ixpk= 682, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1740,1741, 794,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 116 ARG HD+ 53 VAL MGX 3.50 (# 683:25 Unique 2.11, 3.90 A)
&rst
ixpk= 683, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1740,1741,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 20 GLY HA- 57 ILE QG2 3.50 (# 684:25 Unique 2.37, 3.30 A)
&rst
ixpk= 684, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 322, 323,
igr2= 850, 851, 852,
&end
#
# 17 MET HG+ 46 ALA MB 5.50 (# 685:25 Unique 3.74, 5.90 A)
&rst
ixpk= 685, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 285, 286,
igr2= 691, 692, 693,
&end
#
# 0 AMB 25-2:686 0 AMB 25-1:686 2.80 (# 686:25 Double Ambig)
&rst
ixpk= 686, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 699,1921,
igr2= 703, 704, 705,1925,1926,1927,
&end
#
# 0 AMB 25-2:687 0 AMB 25-1:687 3.50 (# 687:25 Double Ambig)
&rst
ixpk= 687, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 449, 450, 34, 35,
igr2=1925,1926,1927,1976,1977,1978,
&end
#
# 68 PHE HB+ 5 MET ME 4.50 (# 688:25 Unique 2.74, 4.26 A)
&rst
ixpk= 688, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1001,1002,
igr2= 92, 93, 94,
&end
#
# 35 SER HB- 5 MET ME 4.50 (# 689:25 Unique 2.51, 4.60 A)
&rst
ixpk= 689, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 532, 533,
igr2= 92, 93, 94,
&end
#
# 68 PHE HB- 5 MET ME 4.50 (# 690:25 Unique 2.74, 4.26 A)
&rst
ixpk= 690, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1001,1002,
igr2= 92, 93, 94,
&end
#
# 0 AMB 25-2:691 17 MET ME 4.50 (# 691:25 Single Ambig)
&rst
ixpk= 691, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 285, 286, 322, 323,
igr2= 289, 290, 291,
&end
#
# 50 MET HG- 17 MET ME 3.50 (# 692:25 Unique 2.02, 3.80 A)
&rst
ixpk= 692, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 750, 751,
igr2= 289, 290, 291,
&end
#
# 47 ILE HA 57 ILE QD1 3.50 (# 693:25 Unique 2.04, 3.44 A)
&rst
ixpk= 693, nxpk= 25, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 857, 858, 859,
&end
#
# 0 AMB 25-2:695 120 LYS HG- 2.80 (# 695:25 Single Ambig)
&rst
ixpk= 695, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1798,1799,1804,1805,
igr2=1801,1802,
&end
#
# 91 VAL HB 91 VAL MGX 2.80 (# 699:25 Unique 2.38, 2.65 A)
&rst
ixpk= 699, nxpk= 25, iat=1334, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 75 VAL HB 4 VAL MGX 4.50 (# 701:25 Unique 2.16, 4.80 A)
&rst
ixpk= 701, nxpk= 25, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:702 4 VAL MGX 2.80 (# 702:25 Single Ambig)
&rst
ixpk= 702, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 462, 69,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 30 ILE HG1- 4 VAL MGX 5.50 (# 703:25 Unique 2.55, 5.28 A)
&rst
ixpk= 703, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 468, 469,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:704 4 VAL MGX 5.50 (# 704:25 Single Ambig)
&rst
ixpk= 704, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.21, r4=12.96,
igr1= 468, 469, 493, 494, 495, 497, 498, 499,1909,1910,
1911,1913,1914,1915,1909,1910,1911,1913,1914,1915,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:705 4 VAL MGX 2.80 (# 705:25 Single Ambig)
&rst
ixpk= 705, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1104,1105,1106,1108,1109,1110, 493, 494, 495, 497,
498, 499,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 89 GLU HG+ 70 ALA MB 3.50 (# 707:25 Unique 2.24, 3.62 A)
&rst
ixpk= 707, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1298,1299,
igr2=1035,1036,1037,
&end
#
# 0 AMB 25-2:708 70 ALA MB 3.50 (# 708:25 Single Ambig)
&rst
ixpk= 708, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1033,1367,1368,
igr2=1035,1036,1037,
&end
#
# 77 ILE HB 77 ILE QG2 3.50 (# 709:25 Unique 2.31, 2.63 A)
&rst
ixpk= 709, nxpk= 25, iat=1134, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1136,1137,1138,
&end
#
# 79 LEU HG 77 ILE QG2 2.80 (# 710:25 Unique 2.20, 3.63 A)
&rst
ixpk= 710, nxpk= 25, iat=1167, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1136,1137,1138,
&end
#
# 0 AMB 25-2:711 65 ILE QD1 3.50 (# 711:25 Single Ambig)
&rst
ixpk= 711, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 959, 960, 555, 556, 557, 559, 560, 561,
igr2= 962, 963, 964,
&end
#
# 0 AMB 25-2:712 65 ILE QD1 2.80 (# 712:25 Single Ambig)
&rst
ixpk= 712, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 955, 956, 957,1253,1254,1255,1257,1258,1259,
igr2= 962, 963, 964,
&end
#
# 0 AMB 25-2:713 77 ILE QD1 2.80 (# 713:25 Single Ambig)
&rst
ixpk= 713, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,
igr2=1143,1144,1145,
&end
#
# 0 AMB 25-2:714 77 ILE QD1 2.80 (# 714:25 Single Ambig)
&rst
ixpk= 714, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1104,1105,1106,1108,1109,1110,1140,1141,
igr2=1143,1144,1145,
&end
#
# 122 ARG HG- 122 ARG HB+ 3.50 (# 716:25 Unique 2.30, 2.76 A)
&rst
ixpk= 716, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1838,1839,
igr2=1835,1836,
&end
#
# 65 ILE QD1 7 VAL MGY 3.50 (# 717:25 Unique 2.26, 4.22 A)
&rst
ixpk= 717, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 962, 963, 964,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 65 ILE QD1 7 VAL MGX 3.50 (# 718:25 Unique 2.26, 4.22 A)
&rst
ixpk= 718, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 962, 963, 964,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 65 ILE QD1 65 ILE QG2 2.80 (# 719:25 Unique 2.27, 3.84 A)
&rst
ixpk= 719, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 962, 963, 964,
igr2= 955, 956, 957,
&end
#
# 77 ILE QG2 77 ILE QD1 3.50 (# 720:25 Unique 2.34, 3.73 A)
&rst
ixpk= 720, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1136,1137,1138,
igr2=1143,1144,1145,
&end
#
# 1 MET HB- 1 MET HA 2.80 (# 721:25 Unique 2.30, 2.55 A)
&rst
ixpk= 721, nxpk= 25, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 8, 9,
&end
#
# 1 MET HB+ 1 MET HA 2.80 (# 722:25 Unique 2.30, 2.55 A)
&rst
ixpk= 722, nxpk= 25, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 8, 9,
&end
#
# 72 ASP HB- 72 ASP HA 2.80 (# 723:25 Unique 2.50, 2.77 A)
&rst
ixpk= 723, nxpk= 25, iat= -1,1055, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1057,1058,
&end
#
# 2 LYS HN 1 MET HB+ 4.50 (# 724:25 Unique 2.40, 3.57 A)
&rst
ixpk= 724, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 8, 9,
&end
#
# 2 LYS HN 1 MET HB- 3.50 (# 725:25 Unique 2.40, 3.57 A)
&rst
ixpk= 725, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 8, 9,
&end
#
# 1 MET HN 1 MET HB- 5.50 (# 726:25 Unique 2.40, 3.29 A)
&rst
ixpk= 726, nxpk= 25, iat= 2, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 8, 9,
&end
#
# 1 MET HN 1 MET HB+ 5.50 (# 727:25 Unique 2.40, 3.29 A)
&rst
ixpk= 727, nxpk= 25, iat= 2, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 8, 9,
&end
#
# 30 ILE HA 1 MET HB+ 5.50 (# 728:25 Unique 2.60, 3.91 A)
&rst
ixpk= 728, nxpk= 25, iat= 460, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 8, 9,
&end
#
# 1 MET HG+ 1 MET HB+ 2.80 (# 730:25 Unique 2.29, 2.74 A)
&rst
ixpk= 730, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HG- 1 MET HB- 2.80 (# 731:25 Unique 2.29, 2.74 A)
&rst
ixpk= 731, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 31 ALA MB 1 MET HB+ 4.50 (# 732:25 Unique 2.67, 5.55 A)
&rst
ixpk= 732, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 481, 482, 483,
igr2= 8, 9,
&end
#
# 1 MET HB- 1 MET HG+ 2.80 (# 733:25 Unique 2.29, 2.74 A)
&rst
ixpk= 733, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 1 MET HB- 1 MET HG- 2.80 (# 734:25 Unique 2.29, 2.74 A)
&rst
ixpk= 734, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 31 ALA MB 1 MET HG+ 4.50 (# 735:25 Unique 2.65, 4.17 A)
&rst
ixpk= 735, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 481, 482, 483,
igr2= 11, 12,
&end
#
# 30 ILE HA 1 MET HG+ 4.50 (# 736:25 Unique 2.19, 3.68 A)
&rst
ixpk= 736, nxpk= 25, iat= 460, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 30 ILE HA 1 MET HG- 4.50 (# 737:25 Unique 2.19, 3.68 A)
&rst
ixpk= 737, nxpk= 25, iat= 460, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 2 LYS HN 1 MET HG+ 4.50 (# 738:25 Unique 3.17, 4.06 A)
&rst
ixpk= 738, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 2 LYS HN 1 MET HG- 4.50 (# 739:25 Unique 3.17, 4.06 A)
&rst
ixpk= 739, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 31 ALA HN 1 MET HG+ 4.50 (# 740:25 Unique 2.79, 4.04 A)
&rst
ixpk= 740, nxpk= 25, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 11, 12,
&end
#
# 0 AMB 25-2:741 0 AMB 25-1:741 3.50 (# 741:25 Double Ambig)
&rst
ixpk= 741, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 936, 937,1278,1279,
igr2= 942, 943,1284,1285,
&end
#
# 0 AMB 25-2:742 0 AMB 25-1:742 2.80 (# 742:25 Double Ambig)
&rst
ixpk= 742, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 25, 26,1942,1943,1944,
igr2= 23,1888,
&end
#
# 129 LYS HE+ 125 ASN HA 5.50 (# 743:25 Unique 4.32, 5.90 A)
&rst
ixpk= 743, nxpk= 25, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1961,1962,
&end
#
# 3 LYS HE+ 2 LYS HA 5.50 (# 744:25 Unique 5.72, 6.29 A)
&rst
ixpk= 744, nxpk= 25, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 56, 57,
&end
#
# 0 AMB 25-2:745 125 ASN HA 5.50 (# 745:25 Single Ambig)
&rst
ixpk= 745, nxpk= 25, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1873,1857,
&end
#
# 125 ASN HD2- 125 ASN HA 5.50 (# 746:25 Unique 2.61, 3.51 A)
&rst
ixpk= 746, nxpk= 25, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1895,1896,
&end
#
# 97 GLU HN 77 ILE HA 3.50 (# 747:25 Unique 2.30, 2.61 A)
&rst
ixpk= 747, nxpk= 25, iat=1431,1132, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:748 77 ILE HA 4.50 (# 748:25 Single Ambig)
&rst
ixpk= 748, nxpk= 25, iat= -1,1132, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1130,1160,
&end
#
# 3 LYS HN 2 LYS HA 2.80 (# 749:25 Unique 2.19, 2.27 A)
&rst
ixpk= 749, nxpk= 25, iat= 43, 23, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 2 LYS HN 2 LYS HB- 4.50 (# 750:25 Unique 2.82, 3.34 A)
&rst
ixpk= 750, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 25, 26,
&end
#
# 3 LYS HN 2 LYS HB+ 5.50 (# 751:25 Unique 3.11, 3.75 A)
&rst
ixpk= 751, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 25, 26,
&end
#
# 3 LYS HN 2 LYS HB- 4.50 (# 752:25 Unique 3.11, 3.75 A)
&rst
ixpk= 752, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 25, 26,
&end
#
# 0 AMB 25-2:753 2 LYS HB- 5.50 (# 753:25 Single Ambig)
&rst
ixpk= 753, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 460, 45,
igr2= 25, 26,
&end
#
# 2 LYS HE+ 2 LYS HB+ 5.50 (# 754:25 Unique 3.99, 4.56 A)
&rst
ixpk= 754, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 34, 35,
igr2= 25, 26,
&end
#
# 2 LYS HE+ 2 LYS HB- 5.50 (# 755:25 Unique 3.99, 4.56 A)
&rst
ixpk= 755, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 34, 35,
igr2= 25, 26,
&end
#
# 74 ASP HB- 2 LYS HB- 5.50 (# 756:25 Unique 2.21, 3.51 A)
&rst
ixpk= 756, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1090,1091,
igr2= 25, 26,
&end
#
# 0 AMB 25-2:759 2 LYS HB- 3.50 (# 759:25 Single Ambig)
&rst
ixpk= 759, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 464, 465, 466,1104,1105,1106,1108,1109,1110,
igr2= 25, 26,
&end
#
# 0 AMB 25-2:760 2 LYS HB- 3.50 (# 760:25 Single Ambig)
&rst
ixpk= 760, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1983,1984,1985, 71, 72, 73, 75, 76, 77,
igr2= 25, 26,
&end
#
# 0 AMB 25-2:761 0 AMB 25-1:761 3.50 (# 761:25 Double Ambig)
&rst
ixpk= 761, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1983,1984,1985, 71, 72, 73, 75, 76, 77,
igr2= 25, 26, 25, 26,
&end
#
# 0 AMB 25-2:762 0 AMB 25-1:762 3.50 (# 762:25 Double Ambig)
&rst
ixpk= 762, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 23, 6,
igr2= 28, 29, 28, 29,
&end
#
# 0 AMB 25-2:763 2 LYS HG- 3.50 (# 763:25 Single Ambig)
&rst
ixpk= 763, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 23, 6,
igr2= 28, 29,
&end
#
# 2 LYS HN 2 LYS HD+ 5.50 (# 764:25 Unique 4.06, 4.46 A)
&rst
ixpk= 764, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 31, 32,
&end
#
# 2 LYS HN 2 LYS HD- 5.50 (# 765:25 Unique 4.06, 4.46 A)
&rst
ixpk= 765, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 31, 32,
&end
#
# 0 AMB 25-2:767 0 AMB 25-1:767 4.50 (# 767:25 Double Ambig)
&rst
ixpk= 767, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 23, 6,
igr2= 31, 32, 31, 32,
&end
#
# 2 LYS HA 2 LYS HD- 4.50 (# 768:25 Unique 4.49, 4.64 A)
&rst
ixpk= 768, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 31, 32,
&end
#
# 130 ILE QD1 2 LYS HD+ 4.50 (# 769:25 Unique 2.31, 3.87 A)
&rst
ixpk= 769, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1983,1984,1985,
igr2= 31, 32,
&end
#
# 130 ILE QD1 2 LYS HD- 4.50 (# 770:25 Unique 2.31, 3.87 A)
&rst
ixpk= 770, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1983,1984,1985,
igr2= 31, 32,
&end
#
# 30 ILE HG1+ 2 LYS HD+ 5.50 (# 771:25 Unique 5.52, 6.79 A)
&rst
ixpk= 771, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 468, 469,
igr2= 31, 32,
&end
#
# 69 ASN HN 68 PHE HB- 4.50 (# 772:25 Unique 2.13, 2.90 A)
&rst
ixpk= 772, nxpk= 25, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1001,1002,
&end
#
# 69 ASN HN 68 PHE HB+ 4.50 (# 773:25 Unique 2.13, 2.90 A)
&rst
ixpk= 773, nxpk= 25, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1001,1002,
&end
#
# 96 PHE HN 96 PHE HB+ 4.50 (# 774:25 Unique 2.40, 3.14 A)
&rst
ixpk= 774, nxpk= 25, iat=1411, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1415,1416,
&end
#
# 68 PHE HN 68 PHE HB+ 5.50 (# 775:25 Unique 2.32, 3.11 A)
&rst
ixpk= 775, nxpk= 25, iat= 997, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1001,1002,
&end
#
# 68 PHE HN 68 PHE HB- 4.50 (# 776:25 Unique 2.32, 3.11 A)
&rst
ixpk= 776, nxpk= 25, iat= 997, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1001,1002,
&end
#
# 73 TYR HE 68 PHE HB- 5.50 (# 777:25 Unique 2.43, 5.72 A)
&rst
ixpk= 777, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1075,1080,
igr2=1001,1002,
&end
#
# 73 TYR HE 68 PHE HB+ 4.50 (# 778:25 Unique 2.43, 5.72 A)
&rst
ixpk= 778, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1075,1080,
igr2=1001,1002,
&end
#
# 96 PHE HA 96 PHE HB+ 3.50 (# 781:25 Unique 2.16, 2.65 A)
&rst
ixpk= 781, nxpk= 25, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1415,1416,
&end
#
# 68 PHE HA 68 PHE HB+ 3.50 (# 783:25 Unique 2.22, 2.77 A)
&rst
ixpk= 783, nxpk= 25, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1001,1002,
&end
#
# 91 VAL HA 96 PHE HB+ 4.50 (# 785:25 Unique 2.96, 4.10 A)
&rst
ixpk= 785, nxpk= 25, iat=1332, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1415,1416,
&end
#
# 0 AMB 25-2:789 0 AMB 25-1:789 5.50 (# 789:25 Double Ambig)
&rst
ixpk= 789, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 509, 510, 511,1398,1399,1400,
igr2=1001,1002,1415,1416,
&end
#
# 0 AMB 25-2:790 0 AMB 25-1:790 4.50 (# 790:25 Double Ambig)
&rst
ixpk= 790, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 92, 93, 94, 959, 960,
igr2=1001,1002,1001,1002,
&end
#
# 0 AMB 25-2:791 68 PHE HB- 4.50 (# 791:25 Single Ambig)
&rst
ixpk= 791, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 92, 93, 94, 959, 960,
igr2=1001,1002,
&end
#
# 30 ILE HG1+ 2 LYS HE+ 5.50 (# 792:25 Unique 5.84, 7.01 A)
&rst
ixpk= 792, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 468, 469,
igr2= 34, 35,
&end
#
# 31 ALA MB 3 LYS HA 3.50 (# 793:25 Unique 2.21, 3.45 A)
&rst
ixpk= 793, nxpk= 25, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 481, 482, 483,
&end
#
# 3 LYS HG+ 3 LYS HA 3.50 (# 794:25 Unique 2.40, 2.94 A)
&rst
ixpk= 794, nxpk= 25, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 50, 51,
&end
#
# 3 LYS HB+ 3 LYS HA 2.80 (# 795:25 Unique 2.28, 2.69 A)
&rst
ixpk= 795, nxpk= 25, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 47, 48,
&end
#
# 31 ALA HN 3 LYS HA 3.50 (# 796:25 Unique 2.45, 2.65 A)
&rst
ixpk= 796, nxpk= 25, iat= 477, 45, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 VAL HN 3 LYS HA 2.80 (# 797:25 Unique 2.12, 2.19 A)
&rst
ixpk= 797, nxpk= 25, iat= 65, 45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 3 LYS HN 3 LYS HA 5.50 (# 798:25 Unique 2.95, 2.97 A)
&rst
ixpk= 798, nxpk= 25, iat= 43, 45, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 LYS HN 3 LYS HB+ 3.50 (# 799:25 Unique 2.54, 3.20 A)
&rst
ixpk= 799, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 47, 48,
&end
#
# 4 VAL HN 3 LYS HB+ 4.50 (# 800:25 Unique 2.68, 3.43 A)
&rst
ixpk= 800, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 47, 48,
&end
#
# 16 GLN HN 16 GLN HB+ 3.50 (# 801:25 Unique 2.15, 3.07 A)
&rst
ixpk= 801, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 74 ASP HN 3 LYS HB+ 4.50 (# 802:25 Unique 2.63, 3.85 A)
&rst
ixpk= 802, nxpk= 25, iat=1086, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 47, 48,
&end
#
# 73 TYR HD 3 LYS HB+ 4.50 (# 803:25 Unique 2.44, 4.10 A)
&rst
ixpk= 803, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1073,1082,
igr2= 47, 48,
&end
#
# 16 GLN HE2+ 16 GLN HB+ 4.50 (# 804:25 Unique 2.21, 3.69 A)
&rst
ixpk= 804, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 273, 274,
igr2= 265, 266,
&end
#
# 0 AMB 25-2:807 0 AMB 25-1:807 5.50 (# 807:25 Double Ambig)
&rst
ixpk= 807, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 850, 851, 852, 71, 72, 73, 75, 76, 77,
igr2= 265, 266, 47, 48,
&end
#
# 3 LYS HG- 3 LYS HB+ 2.80 (# 808:25 Unique 2.37, 2.76 A)
&rst
ixpk= 808, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 50, 51,
igr2= 47, 48,
&end
#
# 57 ILE QG2 16 GLN HB- 5.50 (# 811:25 Unique 3.76, 6.45 A)
&rst
ixpk= 811, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 850, 851, 852,
igr2= 265, 266,
&end
#
# 3 LYS HE+ 3 LYS HB+ 4.50 (# 814:25 Unique 2.16, 4.33 A)
&rst
ixpk= 814, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 56, 57,
igr2= 47, 48,
&end
#
# 16 GLN HA 16 GLN HB- 3.50 (# 816:25 Unique 2.23, 2.57 A)
&rst
ixpk= 816, nxpk= 25, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 16 GLN HN 16 GLN HB- 3.50 (# 818:25 Unique 2.15, 3.07 A)
&rst
ixpk= 818, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 3 LYS HN 3 LYS HG+ 4.50 (# 819:25 Unique 2.37, 3.11 A)
&rst
ixpk= 819, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 3 LYS HN 3 LYS HG- 5.50 (# 820:25 Unique 2.37, 3.11 A)
&rst
ixpk= 820, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 4 VAL HN 3 LYS HG+ 5.50 (# 821:25 Unique 2.82, 4.62 A)
&rst
ixpk= 821, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 4 VAL HN 3 LYS HG- 5.50 (# 822:25 Unique 2.82, 4.62 A)
&rst
ixpk= 822, nxpk= 25, iat= 65, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 50, 51,
&end
#
# 3 LYS HA 3 LYS HG+ 4.50 (# 823:25 Unique 2.40, 2.94 A)
&rst
ixpk= 823, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 50, 51,
&end
#
# 3 LYS HA 3 LYS HG- 3.50 (# 824:25 Unique 2.40, 2.94 A)
&rst
ixpk= 824, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 50, 51,
&end
#
# 3 LYS HE+ 3 LYS HG+ 5.50 (# 825:25 Unique 2.33, 2.80 A)
&rst
ixpk= 825, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 56, 57,
igr2= 50, 51,
&end
#
# 3 LYS HE+ 3 LYS HG- 5.50 (# 826:25 Unique 2.33, 2.80 A)
&rst
ixpk= 826, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 56, 57,
igr2= 50, 51,
&end
#
# 3 LYS HG- 3 LYS HD+ 2.80 (# 827:25 Unique 2.41, 2.75 A)
&rst
ixpk= 827, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 50, 51,
igr2= 53, 54,
&end
#
# 72 ASP HB- 3 LYS HD+ 4.50 (# 828:25 Unique 3.94, 5.52 A)
&rst
ixpk= 828, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1057,1058,
igr2= 53, 54,
&end
#
# 73 TYR HA 3 LYS HD+ 5.50 (# 829:25 Unique 3.06, 4.09 A)
&rst
ixpk= 829, nxpk= 25, iat=1067, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 53, 54,
&end
#
# 72 ASP HA 3 LYS HD+ 5.50 (# 830:25 Unique 5.07, 6.03 A)
&rst
ixpk= 830, nxpk= 25, iat=1055, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 53, 54,
&end
#
# 3 LYS HA 3 LYS HD+ 5.50 (# 832:25 Unique 4.12, 4.47 A)
&rst
ixpk= 832, nxpk= 25, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 53, 54,
&end
#
# 3 LYS HN 3 LYS HD+ 5.50 (# 833:25 Unique 4.44, 4.89 A)
&rst
ixpk= 833, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 53, 54,
&end
#
# 3 LYS HN 3 LYS HE+ 5.50 (# 834:25 Unique 4.40, 5.13 A)
&rst
ixpk= 834, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 56, 57,
&end
#
# 73 TYR HE 3 LYS HE+ 5.50 (# 835:25 Unique 5.39, 6.48 A)
&rst
ixpk= 835, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1075,1080,
igr2= 56, 57,
&end
#
# 3 LYS HB+ 3 LYS HE+ 4.50 (# 837:25 Unique 2.16, 4.33 A)
&rst
ixpk= 837, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 47, 48,
igr2= 56, 57,
&end
#
# 3 LYS HD+ 3 LYS HE+ 2.80 (# 838:25 Unique 2.29, 2.76 A)
&rst
ixpk= 838, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 53, 54,
igr2= 56, 57,
&end
#
# 3 LYS HG- 3 LYS HE+ 3.50 (# 839:25 Unique 2.33, 2.80 A)
&rst
ixpk= 839, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 50, 51,
igr2= 56, 57,
&end
#
# 4 VAL MGX 4 VAL HA 3.50 (# 840:25 Unique 2.41, 3.24 A)
&rst
ixpk= 840, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL MGY 4 VAL HA 2.80 (# 841:25 Unique 2.41, 3.24 A)
&rst
ixpk= 841, nxpk= 25, iat= -1, 67, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL HB 4 VAL HA 4.50 (# 842:25 Unique 2.97, 3.00 A)
&rst
ixpk= 842, nxpk= 25, iat= 69, 67, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 VAL HB 4 VAL HA 4.50 (# 843:25 Unique 2.19, 3.78 A)
&rst
ixpk= 843, nxpk= 25, iat=1102, 67, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 VAL HN 4 VAL HA 3.50 (# 844:25 Unique 3.03, 3.21 A)
&rst
ixpk= 844, nxpk= 25, iat=1098, 67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 MET HN 4 VAL HA 2.80 (# 845:25 Unique 2.20, 2.25 A)
&rst
ixpk= 845, nxpk= 25, iat= 81, 67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 4 VAL HN 4 VAL HA 5.50 (# 846:25 Unique 2.95, 2.97 A)
&rst
ixpk= 846, nxpk= 25, iat= 65, 67, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:847 4 VAL HB 4.50 (# 847:25 Single Ambig)
&rst
ixpk= 847, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 81, 477,
&end
#
# 6 PHE HD 4 VAL HB 5.50 (# 848:25 Unique 3.97, 5.93 A)
&rst
ixpk= 848, nxpk= 25, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 4 VAL HA 4 VAL HB 3.50 (# 849:25 Unique 2.97, 3.00 A)
&rst
ixpk= 849, nxpk= 25, iat= 67, 69, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 MET HB- 4 VAL MGX 5.50 (# 850:25 Unique 4.74, 7.15 A)
&rst
ixpk= 850, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 85, 86,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 75 VAL HA 4 VAL MGX 5.50 (# 851:25 Unique 4.76, 6.48 A)
&rst
ixpk= 851, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:853 4 VAL MGX 5.50 (# 853:25 Single Ambig)
&rst
ixpk= 853, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1098, 458,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 115 VAL HN 115 VAL MGX 5.50 (# 854:25 Unique 2.29, 3.84 A)
&rst
ixpk= 854, nxpk= 25, iat=1714, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 25-2:855 4 VAL MGY 5.50 (# 855:25 Single Ambig)
&rst
ixpk= 855, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1114, 21,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:856 4 VAL MGY 4.50 (# 856:25 Single Ambig)
&rst
ixpk= 856, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1098, 458,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 6 PHE HD 4 VAL MGY 5.50 (# 857:25 Unique 2.82, 6.48 A)
&rst
ixpk= 857, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 106, 114,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 2 LYS HA 4 VAL MGY 5.50 (# 858:25 Unique 5.24, 7.22 A)
&rst
ixpk= 858, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 74 ASP HB- 4 VAL MGY 5.50 (# 861:25 Unique 4.51, 7.26 A)
&rst
ixpk= 861, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1090,1091,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 75 VAL HB 4 VAL MGY 4.50 (# 862:25 Unique 2.16, 4.80 A)
&rst
ixpk= 862, nxpk= 25, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:863 4 VAL MGY 3.50 (# 863:25 Single Ambig)
&rst
ixpk= 863, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 25, 26,1907,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 30 ILE HG1- 4 VAL MGY 3.50 (# 864:25 Unique 2.55, 5.28 A)
&rst
ixpk= 864, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 468, 469,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:865 4 VAL MGY 2.80 (# 865:25 Single Ambig)
&rst
ixpk= 865, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 462, 69,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 7 VAL MGX 5 MET HA 5.50 (# 867:25 Unique 3.87, 6.62 A)
&rst
ixpk= 867, nxpk= 25, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:868 78 SER HA 4.50 (# 868:25 Single Ambig)
&rst
ixpk= 868, nxpk= 25, iat= -1,1151, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1167,1253,1254,1255,1257,1258,1259,
&end
#
# 77 ILE HB 0 AMB 25-1:869 4.50 (# 869:25 Single Ambig)
&rst
ixpk= 869, nxpk= 25, iat=1134, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1151, 83,
&end
#
# 5 MET HB+ 5 MET HA 4.50 (# 870:25 Unique 2.48, 2.78 A)
&rst
ixpk= 870, nxpk= 25, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 85, 86,
&end
#
# 5 MET HB- 5 MET HA 4.50 (# 871:25 Unique 2.48, 2.78 A)
&rst
ixpk= 871, nxpk= 25, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 85, 86,
&end
#
# 0 AMB 25-2:872 0 AMB 25-1:872 4.50 (# 872:25 Double Ambig)
&rst
ixpk= 872, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 521, 522, 100,
igr2= 83,1151,
&end
#
# 6 PHE HD 5 MET HA 3.50 (# 873:25 Unique 3.22, 5.12 A)
&rst
ixpk= 873, nxpk= 25, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 106, 114,
&end
#
# 6 PHE HN 5 MET HA 2.80 (# 875:25 Unique 2.19, 2.25 A)
&rst
ixpk= 875, nxpk= 25, iat= 98, 83, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 5 MET HA 5 MET HB+ 4.50 (# 876:25 Unique 2.48, 2.78 A)
&rst
ixpk= 876, nxpk= 25, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 85, 86,
&end
#
# 76 VAL HB 5 MET HB+ 5.50 (# 877:25 Unique 4.26, 5.28 A)
&rst
ixpk= 877, nxpk= 25, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 85, 86,
&end
#
# 6 PHE HD 5 MET HB+ 5.50 (# 879:25 Unique 5.02, 6.49 A)
&rst
ixpk= 879, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 114,
igr2= 85, 86,
&end
#
# 72 ASP HN 69 ASN HB- 5.50 (# 880:25 Unique 2.93, 4.34 A)
&rst
ixpk= 880, nxpk= 25, iat=1053, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1021,1022,
&end
#
# 0 AMB 25-2:881 0 AMB 25-1:881 5.50 (# 881:25 Double Ambig)
&rst
ixpk= 881, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 81, 528,
igr2= 85, 86, 85, 86,
&end
#
# 0 AMB 25-2:888 0 AMB 25-1:888 5.50 (# 888:25 Double Ambig)
&rst
ixpk= 888, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1298,1299,1270,1271,
igr2=1284,1285,1284,1285,
&end
#
# 65 ILE HN 64 PRO HB+ 4.50 (# 889:25 Unique 3.10, 3.73 A)
&rst
ixpk= 889, nxpk= 25, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 942, 943,
&end
#
# 66 GLU HN 64 PRO HB+ 5.50 (# 890:25 Unique 2.44, 3.41 A)
&rst
ixpk= 890, nxpk= 25, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 942, 943,
&end
#
# 100 GLN HN 100 GLN HB+ 5.50 (# 891:25 Unique 2.42, 2.75 A)
&rst
ixpk= 891, nxpk= 25, iat=1482, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1486,1487,
&end
#
# 100 GLN HN 100 GLN HB- 5.50 (# 892:25 Unique 2.42, 2.75 A)
&rst
ixpk= 892, nxpk= 25, iat=1482, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1486,1487,
&end
#
# 0 AMB 25-2:893 0 AMB 25-1:893 5.50 (# 893:25 Double Ambig)
&rst
ixpk= 893, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 949, 239,
igr2= 939, 940,1486,1487,
&end
#
# 63 ASP HA 64 PRO HG+ 5.50 (# 894:25 Unique 4.38, 4.71 A)
&rst
ixpk= 894, nxpk= 25, iat= 925, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 939, 940,
&end
#
# 64 PRO HD+ 64 PRO HG- 3.50 (# 896:25 Unique 2.31, 2.61 A)
&rst
ixpk= 896, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 936, 937,
igr2= 939, 940,
&end
#
# 64 PRO HD+ 64 PRO HG+ 3.50 (# 897:25 Unique 2.31, 2.61 A)
&rst
ixpk= 897, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 936, 937,
igr2= 939, 940,
&end
#
# 53 VAL HN 51 GLU HA 4.50 (# 898:25 Unique 3.48, 3.85 A)
&rst
ixpk= 898, nxpk= 25, iat= 790, 762, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:899 17 MET HA 3.50 (# 899:25 Single Ambig)
&rst
ixpk= 899, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 285, 286, 322, 323,
&end
#
# 50 MET HG- 17 MET HA 4.50 (# 900:25 Unique 3.02, 4.17 A)
&rst
ixpk= 900, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 750, 751,
&end
#
# 0 AMB 25-2:901 17 MET HA 2.80 (# 901:25 Single Ambig)
&rst
ixpk= 901, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 285, 286, 282, 283,
&end
#
# 55 ILE QG2 51 GLU HA 5.50 (# 902:25 Unique 4.77, 5.73 A)
&rst
ixpk= 902, nxpk= 25, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 819, 820, 821,
&end
#
# 17 MET HG+ 17 MET HB+ 3.50 (# 903:25 Unique 2.25, 2.60 A)
&rst
ixpk= 903, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 285, 286,
igr2= 282, 283,
&end
#
# 17 MET HG+ 17 MET HB- 3.50 (# 904:25 Unique 2.25, 2.60 A)
&rst
ixpk= 904, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 285, 286,
igr2= 282, 283,
&end
#
# 119 VAL MGX 17 MET HB+ 4.50 (# 905:25 Unique 2.11, 4.07 A)
&rst
ixpk= 905, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1784,1785,1786,1788,1789,1790,
igr2= 282, 283,
&end
#
# 0 AMB 25-2:907 0 AMB 25-1:907 3.50 (# 907:25 Double Ambig)
&rst
ixpk= 907, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 280,1546,1547,
igr2= 282, 283, 282, 283,
&end
#
# 0 AMB 25-2:908 0 AMB 25-1:908 3.50 (# 908:25 Double Ambig)
&rst
ixpk= 908, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1555, 280,
igr2=1585,1586, 282, 283,
&end
#
# 0 AMB 25-2:909 0 AMB 25-1:909 5.50 (# 909:25 Double Ambig)
&rst
ixpk= 909, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1546,1547,1599,1600,1546,1547,
igr2= 282, 283,1585,1586,
&end
#
# 18 ALA HN 17 MET HB+ 4.50 (# 910:25 Unique 1.81, 3.11 A)
&rst
ixpk= 910, nxpk= 25, iat= 295, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 282, 283,
&end
#
# 18 ALA HN 17 MET HB- 4.50 (# 911:25 Unique 1.81, 3.11 A)
&rst
ixpk= 911, nxpk= 25, iat= 295, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 282, 283,
&end
#
# 17 MET HN 17 MET HB+ 4.50 (# 912:25 Unique 2.03, 3.11 A)
&rst
ixpk= 912, nxpk= 25, iat= 278, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 282, 283,
&end
#
# 17 MET HN 17 MET HG- 4.50 (# 913:25 Unique 2.88, 4.02 A)
&rst
ixpk= 913, nxpk= 25, iat= 278, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 285, 286,
&end
#
# 17 MET HN 17 MET HG+ 4.50 (# 914:25 Unique 2.88, 4.02 A)
&rst
ixpk= 914, nxpk= 25, iat= 278, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 285, 286,
&end
#
# 18 ALA HN 17 MET HG- 5.50 (# 915:25 Unique 4.09, 4.98 A)
&rst
ixpk= 915, nxpk= 25, iat= 295, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 285, 286,
&end
#
# 18 ALA HN 17 MET HG+ 5.50 (# 916:25 Unique 4.09, 4.98 A)
&rst
ixpk= 916, nxpk= 25, iat= 295, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 285, 286,
&end
#
# 17 MET HA 17 MET HG+ 3.50 (# 917:25 Unique 2.14, 2.94 A)
&rst
ixpk= 917, nxpk= 25, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 285, 286,
&end
#
# 17 MET HA 17 MET HG- 3.50 (# 918:25 Unique 2.14, 2.94 A)
&rst
ixpk= 918, nxpk= 25, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 285, 286,
&end
#
# 0 AMB 25-2:922 0 AMB 25-1:922 4.50 (# 922:25 Double Ambig)
&rst
ixpk= 922, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 268, 269, 265, 266,
igr2= 285, 286, 285, 286,
&end
#
# 16 GLN HG+ 17 MET HG- 4.50 (# 923:25 Unique 2.11, 4.30 A)
&rst
ixpk= 923, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 268, 269,
igr2= 285, 286,
&end
#
# 0 AMB 25-2:924 0 AMB 25-1:924 5.50 (# 924:25 Double Ambig)
&rst
ixpk= 924, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.88, r4=11.63,
igr1= 265, 266,1784,1785,1786,1788,1789,1790,1549,1550,
igr2= 285, 286, 285, 286, 285, 286,
&end
#
# 47 ILE QD1 44 PRO HB+ 4.50 (# 926:25 Unique 4.07, 5.64 A)
&rst
ixpk= 926, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 710, 711, 712,
igr2= 666, 667,
&end
#
# 17 MET ME 17 MET HG+ 5.50 (# 927:25 Unique 2.23, 3.64 A)
&rst
ixpk= 927, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 289, 290, 291,
igr2= 285, 286,
&end
#
# 57 ILE QD1 17 MET HG+ 5.50 (# 928:25 Unique 2.39, 5.23 A)
&rst
ixpk= 928, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 857, 858, 859,
igr2= 285, 286,
&end
#
# 57 ILE QD1 17 MET HG- 5.50 (# 929:25 Unique 2.39, 5.23 A)
&rst
ixpk= 929, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 857, 858, 859,
igr2= 285, 286,
&end
#
# 18 ALA MB 18 ALA HA 2.80 (# 930:25 Unique 2.35, 2.66 A)
&rst
ixpk= 930, nxpk= 25, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 299, 300, 301,
&end
#
# 101 LEU MDX 18 ALA HA 5.50 (# 931:25 Unique 3.85, 6.90 A)
&rst
ixpk= 931, nxpk= 25, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1508,1509,1510,1512,1513,1514,
&end
#
# 119 VAL MGX 18 ALA HA 2.80 (# 932:25 Unique 2.22, 3.84 A)
&rst
ixpk= 932, nxpk= 25, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 119 VAL MGY 18 ALA HA 4.50 (# 933:25 Unique 2.22, 3.84 A)
&rst
ixpk= 933, nxpk= 25, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 22 ALA MB 18 ALA HA 5.50 (# 934:25 Unique 4.63, 5.75 A)
&rst
ixpk= 934, nxpk= 25, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 351, 352, 353,
&end
#
# 123 VAL MGX 18 ALA HA 3.50 (# 935:25 Unique 2.08, 4.10 A)
&rst
ixpk= 935, nxpk= 25, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1861,1862,1863,1865,1866,1867,
&end
#
# 17 MET HB- 18 ALA HA 4.50 (# 936:25 Unique 3.58, 4.44 A)
&rst
ixpk= 936, nxpk= 25, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 282, 283,
&end
#
# 21 PHE HB- 18 ALA HA 5.50 (# 938:25 Unique 2.80, 4.01 A)
&rst
ixpk= 938, nxpk= 25, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 331, 332,
&end
#
# 21 PHE HD 18 ALA HA 4.50 (# 939:25 Unique 3.48, 5.39 A)
&rst
ixpk= 939, nxpk= 25, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 335, 343,
&end
#
# 6 PHE HD 18 ALA HA 5.50 (# 940:25 Unique 4.70, 5.66 A)
&rst
ixpk= 940, nxpk= 25, iat= -1, 297, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 18 ALA HN 18 ALA HA 3.50 (# 941:25 Unique 2.22, 2.80 A)
&rst
ixpk= 941, nxpk= 25, iat= 295, 297, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLU HN 18 ALA HA 4.50 (# 942:25 Unique 3.53, 3.58 A)
&rst
ixpk= 942, nxpk= 25, iat= 305, 297, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 GLU HN 18 ALA MB 3.50 (# 943:25 Unique 2.28, 3.32 A)
&rst
ixpk= 943, nxpk= 25, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 299, 300, 301,
&end
#
# 18 ALA HA 18 ALA MB 2.80 (# 945:25 Unique 2.35, 2.66 A)
&rst
ixpk= 945, nxpk= 25, iat= 297, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 299, 300, 301,
&end
#
# 0 AMB 25-2:946 18 ALA MB 5.50 (# 946:25 Single Ambig)
&rst
ixpk= 946, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 230, 231, 282, 283,
igr2= 299, 300, 301,
&end
#
# 19 GLU HG- 18 ALA MB 5.50 (# 947:25 Unique 4.55, 6.48 A)
&rst
ixpk= 947, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 312, 313,
igr2= 299, 300, 301,
&end
#
# 0 AMB 25-2:948 18 ALA MB 4.50 (# 948:25 Single Ambig)
&rst
ixpk= 948, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1= 351, 352, 353, 265, 266, 268, 269,
igr2= 299, 300, 301,
&end
#
# 123 VAL MGX 18 ALA MB 4.50 (# 949:25 Unique 2.48, 5.50 A)
&rst
ixpk= 949, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1861,1862,1863,1865,1866,1867,
igr2= 299, 300, 301,
&end
#
# 0 AMB 25-2:950 18 ALA MB 2.80 (# 950:25 Single Ambig)
&rst
ixpk= 950, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1508,1509,1510,1512,1513,1514,1784,1785,1786,1788,
1789,1790,
igr2= 299, 300, 301,
&end
#
# 0 AMB 25-2:951 19 GLU HA 5.50 (# 951:25 Single Ambig)
&rst
ixpk= 951, nxpk= 25, iat= -1, 307, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1= 71, 72, 73, 75, 76, 77, 850, 851, 852,1140,
1141,
&end
#
# 32 VAL MGX 19 GLU HA 3.50 (# 952:25 Unique 2.22, 4.00 A)
&rst
ixpk= 952, nxpk= 25, iat= -1, 307, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL MGY 19 GLU HA 2.80 (# 953:25 Unique 2.22, 4.00 A)
&rst
ixpk= 953, nxpk= 25, iat= -1, 307, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 22 ALA MB 19 GLU HA 2.80 (# 954:25 Unique 2.25, 3.37 A)
&rst
ixpk= 954, nxpk= 25, iat= -1, 307, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 351, 352, 353,
&end
#
# 19 GLU HB+ 19 GLU HA 2.80 (# 955:25 Unique 2.27, 2.43 A)
&rst
ixpk= 955, nxpk= 25, iat= -1, 307, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 309, 310,
&end
#
# 20 GLY HN 19 GLU HA 4.50 (# 957:25 Unique 3.52, 3.57 A)
&rst
ixpk= 957, nxpk= 25, iat= 320, 307, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 LYS HN 19 GLU HA 4.50 (# 958:25 Unique 3.79, 4.07 A)
&rst
ixpk= 958, nxpk= 25, iat= 357, 307, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ALA HN 19 GLU HA 5.50 (# 959:25 Unique 3.02, 3.31 A)
&rst
ixpk= 959, nxpk= 25, iat= 347, 307, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 GLN HE2- 60 GLN HB- 4.50 (# 960:25 Unique 2.07, 3.58 A)
&rst
ixpk= 960, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 893, 894,
igr2= 885, 886,
&end
#
# 0 AMB 25-2:961 0 AMB 25-1:961 2.80 (# 961:25 Double Ambig)
&rst
ixpk= 961, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 307, 521, 522,
igr2= 309, 310, 309, 310,
&end
#
# 34 SER HB- 19 GLU HG+ 3.50 (# 962:25 Unique 2.33, 4.29 A)
&rst
ixpk= 962, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 521, 522,
igr2= 312, 313,
&end
#
# 34 SER HB- 19 GLU HG- 4.50 (# 963:25 Unique 2.33, 4.29 A)
&rst
ixpk= 963, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 521, 522,
igr2= 312, 313,
&end
#
# 0 AMB 25-2:964 0 AMB 25-1:964 3.50 (# 964:25 Double Ambig)
&rst
ixpk= 964, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1520,1818,
igr2=1525,1526,1823,1824,
&end
#
# 0 AMB 25-2:965 0 AMB 25-1:965 3.50 (# 965:25 Double Ambig)
&rst
ixpk= 965, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1520,1293,
igr2=1525,1526,1298,1299,
&end
#
# 0 AMB 25-2:966 0 AMB 25-1:966 4.50 (# 966:25 Double Ambig)
&rst
ixpk= 966, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 883,1043,
igr2= 312, 313,1298,1299,
&end
#
# 0 AMB 25-2:967 0 AMB 25-1:967 4.50 (# 967:25 Double Ambig)
&rst
ixpk= 967, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1501, 846,
igr2=1525,1526, 312, 313,
&end
#
# 0 AMB 25-2:968 0 AMB 25-1:968 3.50 (# 968:25 Double Ambig)
&rst
ixpk= 968, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1314,1590,1591,
igr2=1298,1299,1525,1526,
&end
#
# 0 AMB 25-2:969 0 AMB 25-1:969 3.50 (# 969:25 Double Ambig)
&rst
ixpk= 969, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1314,1590,1591,
igr2=1298,1299,1525,1526,
&end
#
# 97 GLU HN 97 GLU HG- 3.50 (# 970:25 Unique 2.37, 3.82 A)
&rst
ixpk= 970, nxpk= 25, iat=1431, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1438,1439,
&end
#
# 0 AMB 25-2:971 0 AMB 25-1:971 3.50 (# 971:25 Double Ambig)
&rst
ixpk= 971, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1831,1325,
igr2=1823,1824,1298,1299,
&end
#
# 89 GLU HN 89 GLU HG+ 3.50 (# 972:25 Unique 1.80, 2.97 A)
&rst
ixpk= 972, nxpk= 25, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1298,1299,
&end
#
# 89 GLU HN 89 GLU HG- 3.50 (# 973:25 Unique 1.80, 2.97 A)
&rst
ixpk= 973, nxpk= 25, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1298,1299,
&end
#
# 21 PHE HN 20 GLY HA+ 4.50 (# 974:25 Unique 2.61, 3.18 A)
&rst
ixpk= 974, nxpk= 25, iat= 327, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 322, 323,
&end
#
# 21 PHE HN 20 GLY HA- 3.50 (# 975:25 Unique 2.61, 3.18 A)
&rst
ixpk= 975, nxpk= 25, iat= 327, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 322, 323,
&end
#
# 21 PHE HB+ 20 GLY HA+ 5.50 (# 976:25 Unique 4.79, 5.87 A)
&rst
ixpk= 976, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 331, 332,
igr2= 322, 323,
&end
#
# 21 PHE HB+ 20 GLY HA- 5.50 (# 977:25 Unique 4.79, 5.87 A)
&rst
ixpk= 977, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 331, 332,
igr2= 322, 323,
&end
#
# 0 AMB 25-2:978 0 AMB 25-1:978 3.50 (# 978:25 Double Ambig)
&rst
ixpk= 978, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 361, 362, 312, 313,
igr2= 322, 323, 322, 323,
&end
#
# 0 AMB 25-2:979 20 GLY HA- 3.50 (# 979:25 Single Ambig)
&rst
ixpk= 979, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 361, 362, 312, 313,
igr2= 322, 323,
&end
#
# 23 LYS HB- 20 GLY HA+ 5.50 (# 980:25 Unique 2.46, 5.18 A)
&rst
ixpk= 980, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 361, 362,
igr2= 322, 323,
&end
#
# 23 LYS HD+ 20 GLY HA+ 3.50 (# 981:25 Unique 2.26, 4.15 A)
&rst
ixpk= 981, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 367, 368,
igr2= 322, 323,
&end
#
# 23 LYS HD+ 20 GLY HA- 4.50 (# 982:25 Unique 2.26, 4.15 A)
&rst
ixpk= 982, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 367, 368,
igr2= 322, 323,
&end
#
# 17 MET ME 20 GLY HA+ 4.50 (# 983:25 Unique 2.63, 4.59 A)
&rst
ixpk= 983, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 289, 290, 291,
igr2= 322, 323,
&end
#
# 57 ILE QG2 20 GLY HA+ 2.80 (# 984:25 Unique 2.37, 3.30 A)
&rst
ixpk= 984, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 850, 851, 852,
igr2= 322, 323,
&end
#
# 55 ILE QG2 20 GLY HA+ 3.50 (# 985:25 Unique 2.29, 3.41 A)
&rst
ixpk= 985, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 819, 820, 821,
igr2= 322, 323,
&end
#
# 55 ILE QD1 20 GLY HA- 5.50 (# 986:25 Unique 2.65, 4.05 A)
&rst
ixpk= 986, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 826, 827, 828,
igr2= 322, 323,
&end
#
# 0 AMB 25-2:987 21 PHE HA 4.50 (# 987:25 Single Ambig)
&rst
ixpk= 987, nxpk= 25, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
1866,1867,
&end
#
# 24 THR MG2 21 PHE HA 4.50 (# 988:25 Unique 3.45, 4.13 A)
&rst
ixpk= 988, nxpk= 25, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 385, 386, 387,
&end
#
# 0 AMB 25-2:989 21 PHE HA 4.50 (# 989:25 Single Ambig)
&rst
ixpk= 989, nxpk= 25, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 367, 368, 397, 398, 351, 352, 353,
&end
#
# 0 AMB 25-2:990 21 PHE HA 4.50 (# 990:25 Single Ambig)
&rst
ixpk= 990, nxpk= 25, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 400, 361, 362,
&end
#
# 21 PHE HB+ 21 PHE HA 2.80 (# 991:25 Unique 2.51, 2.84 A)
&rst
ixpk= 991, nxpk= 25, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 331, 332,
&end
#
# 20 GLY HA- 21 PHE HA 5.50 (# 992:25 Unique 4.31, 4.53 A)
&rst
ixpk= 992, nxpk= 25, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 322, 323,
&end
#
# 24 THR HB 21 PHE HA 3.50 (# 993:25 Unique 1.97, 2.16 A)
&rst
ixpk= 993, nxpk= 25, iat= 383, 329, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 PHE HE 21 PHE HA 5.50 (# 994:25 Unique 4.26, 5.03 A)
&rst
ixpk= 994, nxpk= 25, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 337, 341,
&end
#
# 21 PHE HN 21 PHE HA 3.50 (# 995:25 Unique 2.81, 2.85 A)
&rst
ixpk= 995, nxpk= 25, iat= 327, 329, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 LEU HN 21 PHE HA 5.50 (# 996:25 Unique 3.51, 3.65 A)
&rst
ixpk= 996, nxpk= 25, iat= 393, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 ALA HN 21 PHE HA 5.50 (# 997:25 Unique 3.53, 3.58 A)
&rst
ixpk= 997, nxpk= 25, iat= 347, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 ALA HN 21 PHE HB+ 4.50 (# 998:25 Unique 2.96, 3.32 A)
&rst
ixpk= 998, nxpk= 25, iat= 347, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 331, 332,
&end
#
# 22 ALA HN 21 PHE HB- 4.50 (# 999:25 Unique 2.96, 3.32 A)
&rst
ixpk= 999, nxpk= 25, iat= 347, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 331, 332,
&end
#
# 21 PHE HN 21 PHE HB+ 4.50 (# 1000:25 Unique 2.17, 2.93 A)
&rst
ixpk= 1000, nxpk= 25, iat= 327, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 331, 332,
&end
#
# 21 PHE HN 21 PHE HB- 3.50 (# 1001:25 Unique 2.17, 2.93 A)
&rst
ixpk= 1001, nxpk= 25, iat= 327, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 331, 332,
&end
#
# 21 PHE HA 21 PHE HB+ 3.50 (# 1002:25 Unique 2.51, 2.84 A)
&rst
ixpk= 1002, nxpk= 25, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 331, 332,
&end
#
# 21 PHE HA 21 PHE HB- 3.50 (# 1003:25 Unique 2.51, 2.84 A)
&rst
ixpk= 1003, nxpk= 25, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 331, 332,
&end
#
# 123 VAL HB 21 PHE HB- 4.50 (# 1004:25 Unique 2.70, 3.56 A)
&rst
ixpk= 1004, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 331, 332,
&end
#
# 123 VAL HB 21 PHE HB+ 5.50 (# 1005:25 Unique 2.70, 3.56 A)
&rst
ixpk= 1005, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 331, 332,
&end
#
# 0 AMB 25-2:1006 0 AMB 25-1:1006 5.50 (# 1006:25 Double Ambig)
&rst
ixpk= 1006, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 400, 282, 283,
igr2= 331, 332, 331, 332,
&end
#
# 0 AMB 25-2:1007 21 PHE HB- 5.50 (# 1007:25 Single Ambig)
&rst
ixpk= 1007, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 400, 282, 283,
igr2= 331, 332,
&end
#
# 0 AMB 25-2:1008 0 AMB 25-1:1008 5.50 (# 1008:25 Double Ambig)
&rst
ixpk= 1008, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 397, 398, 351, 352, 353,
igr2= 331, 332, 331, 332,
&end
#
# 123 VAL MGX 21 PHE HB+ 4.50 (# 1009:25 Unique 2.28, 3.90 A)
&rst
ixpk= 1009, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1861,1862,1863,1865,1866,1867,
igr2= 331, 332,
&end
#
# 123 VAL MGX 21 PHE HB- 4.50 (# 1010:25 Unique 2.28, 3.90 A)
&rst
ixpk= 1010, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1861,1862,1863,1865,1866,1867,
igr2= 331, 332,
&end
#
# 119 VAL MGX 21 PHE HB+ 5.50 (# 1011:25 Unique 2.88, 6.06 A)
&rst
ixpk= 1011, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1784,1785,1786,1788,1789,1790,
igr2= 331, 332,
&end
#
# 119 VAL MGX 21 PHE HB- 5.50 (# 1012:25 Unique 2.88, 6.06 A)
&rst
ixpk= 1012, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1784,1785,1786,1788,1789,1790,
igr2= 331, 332,
&end
#
# 127 ILE QD1 22 ALA HA 2.80 (# 1013:25 Unique 2.06, 3.15 A)
&rst
ixpk= 1013, nxpk= 25, iat= -1, 349, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1932,1933,1934,
&end
#
# 0 AMB 25-2:1014 22 ALA HA 2.80 (# 1014:25 Single Ambig)
&rst
ixpk= 1014, nxpk= 25, iat= -1, 349, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1861,1862,1863,1865,1866,1867, 402, 403, 404, 406,
407, 408,
&end
#
# 123 VAL MGX 22 ALA HA 4.50 (# 1015:25 Unique 2.39, 4.17 A)
&rst
ixpk= 1015, nxpk= 25, iat= -1, 349, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 25-2:1016 0 AMB 25-1:1016 2.80 (# 1016:25 Double Ambig)
&rst
ixpk= 1016, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
igr1=1522,1523, 351, 352, 353, 397, 398,
igr2=1520, 349,
&end
#
# 0 AMB 25-2:1017 0 AMB 25-1:1017 4.50 (# 1017:25 Double Ambig)
&rst
ixpk= 1017, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1537,1538,1904,1905,
igr2=1520, 349,
&end
#
# 0 AMB 25-2:1018 0 AMB 25-1:1018 4.50 (# 1018:25 Double Ambig)
&rst
ixpk= 1018, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1489,1490,1859,
igr2=1520, 349,
&end
#
# 103 ASP HB+ 102 GLU HA 5.50 (# 1019:25 Unique 3.79, 4.65 A)
&rst
ixpk= 1019, nxpk= 25, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1537,1538,
&end
#
# 24 THR HN 22 ALA HA 5.50 (# 1021:25 Unique 3.99, 4.19 A)
&rst
ixpk= 1021, nxpk= 25, iat= 379, 349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 GLY HN 22 ALA HA 5.50 (# 1022:25 Unique 2.92, 3.22 A)
&rst
ixpk= 1022, nxpk= 25, iat= 412, 349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 LYS HN 22 ALA HA 4.50 (# 1023:25 Unique 3.52, 3.59 A)
&rst
ixpk= 1023, nxpk= 25, iat= 357, 349, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ALA HN 22 ALA HA 3.50 (# 1024:25 Unique 2.80, 2.85 A)
&rst
ixpk= 1024, nxpk= 25, iat= 347, 349, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ALA HN 22 ALA MB 2.80 (# 1025:25 Unique 2.40, 2.87 A)
&rst
ixpk= 1025, nxpk= 25, iat= 347, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 351, 352, 353,
&end
#
# 0 AMB 25-2:1026 22 ALA MB 5.50 (# 1026:25 Single Ambig)
&rst
ixpk= 1026, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 393, 503, 65,
igr2= 351, 352, 353,
&end
#
# 21 PHE HN 22 ALA MB 5.50 (# 1027:25 Unique 4.88, 5.52 A)
&rst
ixpk= 1027, nxpk= 25, iat= 327, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 351, 352, 353,
&end
#
# 26 GLY HN 22 ALA MB 5.50 (# 1028:25 Unique 4.43, 5.24 A)
&rst
ixpk= 1028, nxpk= 25, iat= 412, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 351, 352, 353,
&end
#
# 21 PHE HD 22 ALA MB 5.50 (# 1029:25 Unique 6.58, 7.65 A)
&rst
ixpk= 1029, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 335, 343,
igr2= 351, 352, 353,
&end
#
# 21 PHE HA 22 ALA MB 5.50 (# 1030:25 Unique 5.66, 6.07 A)
&rst
ixpk= 1030, nxpk= 25, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 351, 352, 353,
&end
#
# 0 AMB 25-2:1031 22 ALA MB 4.50 (# 1031:25 Single Ambig)
&rst
ixpk= 1031, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 414, 415, 359,
igr2= 351, 352, 353,
&end
#
# 22 ALA HA 22 ALA MB 2.80 (# 1032:25 Unique 2.40, 2.67 A)
&rst
ixpk= 1032, nxpk= 25, iat= 349, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 351, 352, 353,
&end
#
# 19 GLU HA 22 ALA MB 2.80 (# 1033:25 Unique 2.25, 3.37 A)
&rst
ixpk= 1033, nxpk= 25, iat= 307, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 351, 352, 353,
&end
#
# 0 AMB 25-2:1034 22 ALA MB 4.50 (# 1034:25 Single Ambig)
&rst
ixpk= 1034, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 331, 332, 370, 371,
igr2= 351, 352, 353,
&end
#
# 4 VAL MGX 22 ALA MB 5.50 (# 1036:25 Unique 3.15, 5.42 A)
&rst
ixpk= 1036, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 71, 72, 73, 75, 76, 77,
igr2= 351, 352, 353,
&end
#
# 32 VAL MGX 23 LYS HA 3.50 (# 1037:25 Unique 2.69, 4.67 A)
&rst
ixpk= 1037, nxpk= 25, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 23 LYS HG+ 23 LYS HA 3.50 (# 1038:25 Unique 2.88, 3.57 A)
&rst
ixpk= 1038, nxpk= 25, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 364, 365,
&end
#
# 23 LYS HB- 23 LYS HA 2.80 (# 1039:25 Unique 2.26, 2.55 A)
&rst
ixpk= 1039, nxpk= 25, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 361, 362,
&end
#
# 52 GLU HB+ 52 GLU HA 2.80 (# 1040:25 Unique 2.28, 2.59 A)
&rst
ixpk= 1040, nxpk= 25, iat= -1, 777, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 779, 780,
&end
#
# 24 THR HN 23 LYS HB+ 5.50 (# 1041:25 Unique 2.27, 3.80 A)
&rst
ixpk= 1041, nxpk= 25, iat= 379, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 361, 362,
&end
#
# 24 THR HN 23 LYS HB- 5.50 (# 1042:25 Unique 2.27, 3.80 A)
&rst
ixpk= 1042, nxpk= 25, iat= 379, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 361, 362,
&end
#
# 23 LYS HN 23 LYS HG+ 5.50 (# 1043:25 Unique 1.99, 3.47 A)
&rst
ixpk= 1043, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 364, 365,
&end
#
# 23 LYS HN 23 LYS HG- 5.50 (# 1044:25 Unique 1.99, 3.47 A)
&rst
ixpk= 1044, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 364, 365,
&end
#
# 23 LYS HA 23 LYS HG+ 4.50 (# 1045:25 Unique 2.88, 3.57 A)
&rst
ixpk= 1045, nxpk= 25, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 364, 365,
&end
#
# 23 LYS HA 23 LYS HG- 4.50 (# 1046:25 Unique 2.88, 3.57 A)
&rst
ixpk= 1046, nxpk= 25, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 364, 365,
&end
#
# 25 LEU MDY 24 THR HA 5.50 (# 1050:25 Unique 5.81, 7.17 A)
&rst
ixpk= 1050, nxpk= 25, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 402, 403, 404, 406, 407, 408,
&end
#
# 55 ILE QD1 24 THR HA 5.50 (# 1051:25 Unique 4.75, 5.53 A)
&rst
ixpk= 1051, nxpk= 25, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 826, 827, 828,
&end
#
# 0 AMB 25-2:1052 24 THR HA 2.80 (# 1052:25 Single Ambig)
&rst
ixpk= 1052, nxpk= 25, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 423, 424, 425, 364, 365,
&end
#
# 0 AMB 25-2:1053 24 THR HA 5.50 (# 1053:25 Single Ambig)
&rst
ixpk= 1053, nxpk= 25, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 361, 362, 400,
&end
#
# 27 ALA HN 24 THR HA 5.50 (# 1057:25 Unique 3.86, 4.10 A)
&rst
ixpk= 1057, nxpk= 25, iat= 419, 381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HD 24 THR HA 5.50 (# 1058:25 Unique 5.61, 7.54 A)
&rst
ixpk= 1058, nxpk= 25, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 335, 343,
&end
#
# 26 GLY HN 24 THR HA 5.50 (# 1059:25 Unique 4.54, 4.69 A)
&rst
ixpk= 1059, nxpk= 25, iat= 412, 381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 LYS HN 24 THR HA 5.50 (# 1060:25 Unique 5.22, 5.31 A)
&rst
ixpk= 1060, nxpk= 25, iat= 357, 381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 LEU HN 24 THR HA 3.50 (# 1061:25 Unique 3.55, 3.56 A)
&rst
ixpk= 1061, nxpk= 25, iat= 393, 381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 GLY HN 24 THR HB 5.50 (# 1062:25 Unique 4.61, 4.82 A)
&rst
ixpk= 1062, nxpk= 25, iat= 412, 383, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HD 24 THR HB 5.50 (# 1063:25 Unique 2.74, 4.65 A)
&rst
ixpk= 1063, nxpk= 25, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 335, 343,
&end
#
# 0 AMB 25-2:1066 24 THR HB 4.50 (# 1066:25 Single Ambig)
&rst
ixpk= 1066, nxpk= 25, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 400, 361, 362,
&end
#
# 0 AMB 25-2:1068 24 THR HB 5.50 (# 1068:25 Single Ambig)
&rst
ixpk= 1068, nxpk= 25, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 397, 398, 351, 352, 353,
&end
#
# 0 AMB 25-2:1069 24 THR HB 5.50 (# 1069:25 Single Ambig)
&rst
ixpk= 1069, nxpk= 25, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 402, 403, 404, 406, 407, 408, 796, 797, 798, 800,
801, 802,1861,1862,1863,1865,1866,1867,
&end
#
# 127 ILE QD1 25 LEU HA 4.50 (# 1070:25 Unique 4.31, 5.01 A)
&rst
ixpk= 1070, nxpk= 25, iat= -1, 395, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1932,1933,1934,
&end
#
# 24 THR MG2 25 LEU HA 3.50 (# 1071:25 Unique 3.29, 4.32 A)
&rst
ixpk= 1071, nxpk= 25, iat= -1, 395, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 385, 386, 387,
&end
#
# 25 LEU HB- 25 LEU HA 2.80 (# 1072:25 Unique 2.52, 2.79 A)
&rst
ixpk= 1072, nxpk= 25, iat= -1, 395, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 397, 398,
&end
#
# 27 ALA HN 25 LEU HA 5.50 (# 1073:25 Unique 3.72, 3.89 A)
&rst
ixpk= 1073, nxpk= 25, iat= 419, 395, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 GLY HN 25 LEU HA 4.50 (# 1074:25 Unique 3.54, 3.56 A)
&rst
ixpk= 1074, nxpk= 25, iat= 412, 395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 LEU HN 25 LEU HA 3.50 (# 1075:25 Unique 2.88, 2.89 A)
&rst
ixpk= 1075, nxpk= 25, iat= 393, 395, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 LEU HN 25 LEU HB+ 4.50 (# 1076:25 Unique 2.31, 2.96 A)
&rst
ixpk= 1076, nxpk= 25, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 397, 398,
&end
#
# 25 LEU HN 25 LEU HB- 4.50 (# 1077:25 Unique 2.31, 2.96 A)
&rst
ixpk= 1077, nxpk= 25, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 397, 398,
&end
#
# 26 GLY HN 25 LEU HB+ 5.50 (# 1078:25 Unique 2.54, 3.16 A)
&rst
ixpk= 1078, nxpk= 25, iat= 412, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 397, 398,
&end
#
# 26 GLY HN 25 LEU HB- 5.50 (# 1079:25 Unique 2.54, 3.16 A)
&rst
ixpk= 1079, nxpk= 25, iat= 412, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 397, 398,
&end
#
# 25 LEU HA 25 LEU HB+ 3.50 (# 1080:25 Unique 2.52, 2.79 A)
&rst
ixpk= 1080, nxpk= 25, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 397, 398,
&end
#
# 25 LEU HG 25 LEU HB+ 3.50 (# 1081:25 Unique 2.51, 2.79 A)
&rst
ixpk= 1081, nxpk= 25, iat= 400, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 397, 398,
&end
#
# 25 LEU HG 25 LEU HB- 4.50 (# 1082:25 Unique 2.51, 2.79 A)
&rst
ixpk= 1082, nxpk= 25, iat= 400, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 397, 398,
&end
#
# 0 AMB 25-2:1083 25 LEU HB- 2.80 (# 1083:25 Single Ambig)
&rst
ixpk= 1083, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
1866,1867,
igr2= 397, 398,
&end
#
# 0 AMB 25-2:1084 0 AMB 25-1:1084 2.80 (# 1084:25 Double Ambig)
&rst
ixpk= 1084, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1253,1254,1255,1257,1258,1259, 955, 956, 957,
igr2=1248,1249,1248,1249,
&end
#
# 0 AMB 25-2:1085 0 AMB 25-1:1085 4.50 (# 1085:25 Double Ambig)
&rst
ixpk= 1085, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1932,1933,1934, 955, 956, 957,
igr2= 400, 939, 940,
&end
#
# 24 THR MG2 25 LEU HG 3.50 (# 1086:25 Unique 2.42, 3.60 A)
&rst
ixpk= 1086, nxpk= 25, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 385, 386, 387,
&end
#
# 21 PHE HB- 25 LEU HG 5.50 (# 1087:25 Unique 2.91, 4.15 A)
&rst
ixpk= 1087, nxpk= 25, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 331, 332,
&end
#
# 0 AMB 25-2:1090 0 AMB 25-1:1090 4.50 (# 1090:25 Double Ambig)
&rst
ixpk= 1090, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 992, 993, 379,
igr2= 939, 940, 400,
&end
#
# 21 PHE HD 25 LEU HG 5.50 (# 1091:25 Unique 2.44, 4.59 A)
&rst
ixpk= 1091, nxpk= 25, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 335, 343,
&end
#
# 101 LEU HN 100 GLN HB+ 4.50 (# 1092:25 Unique 3.26, 4.36 A)
&rst
ixpk= 1092, nxpk= 25, iat=1499, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1486,1487,
&end
#
# 22 ALA HN 0 AMB 25-1:1093 5.50 (# 1093:25 Single Ambig)
&rst
ixpk= 1093, nxpk= 25, iat= 347, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2= 493, 494, 495, 497, 498, 499, 402, 403, 404, 406,
407, 408,
&end
#
# 0 AMB 25-2:1094 0 AMB 25-1:1094 2.80 (# 1094:25 Double Ambig)
&rst
ixpk= 1094, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.27, r4= 7.02,
igr1= 351, 352, 353, 397, 398,1522,1523,
igr2= 493, 494, 495, 497, 498, 499, 402, 403, 404, 406,
407, 408,1646,1647,1648,1650,1651,1652,
&end
#
# 120 LYS HA 25 LEU MDX 4.50 (# 1095:25 Unique 2.89, 5.13 A)
&rst
ixpk= 1095, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 0 AMB 25-2:1096 25 LEU MDX 3.50 (# 1096:25 Single Ambig)
&rst
ixpk= 1096, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 331, 332,1807,1808,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 0 AMB 25-2:1097 0 AMB 25-1:1097 3.50 (# 1097:25 Double Ambig)
&rst
ixpk= 1097, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1= 385, 386, 387, 468, 469,1804,1805,
igr2= 402, 403, 404, 406, 407, 408, 493, 494, 495, 497,
498, 499,
&end
#
# 0 AMB 25-2:1098 0 AMB 25-1:1098 2.80 (# 1098:25 Double Ambig)
&rst
ixpk= 1098, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.27, r4= 7.02,
igr1=1585,1586, 361, 362, 400,1525,1526,
igr2=1646,1647,1648,1650,1651,1652, 493, 494, 495, 497,
498, 499, 402, 403, 404, 406, 407, 408,
&end
#
# 0 AMB 25-2:1100 0 AMB 25-1:1100 3.50 (# 1100:25 Double Ambig)
&rst
ixpk= 1100, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 357,1871,
igr2= 493, 494, 495, 497, 498, 499, 402, 403, 404, 406,
407, 408,
&end
#
# 25 LEU HN 25 LEU MDY 5.50 (# 1101:25 Unique 3.47, 4.33 A)
&rst
ixpk= 1101, nxpk= 25, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 124 GLU HN 25 LEU MDY 4.50 (# 1102:25 Unique 3.14, 5.07 A)
&rst
ixpk= 1102, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 21 PHE HE 25 LEU MDY 5.50 (# 1103:25 Unique 3.91, 6.81 A)
&rst
ixpk= 1103, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 337, 341,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 25 LEU HA 25 LEU MDY 3.50 (# 1104:25 Unique 2.25, 3.96 A)
&rst
ixpk= 1104, nxpk= 25, iat= 395, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 109 LEU HA 109 LEU MDY 4.50 (# 1105:25 Unique 2.17, 3.73 A)
&rst
ixpk= 1105, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 22 ALA HA 25 LEU MDY 5.50 (# 1106:25 Unique 3.17, 5.52 A)
&rst
ixpk= 1106, nxpk= 25, iat= 349, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 124 GLU HA 25 LEU MDY 4.50 (# 1107:25 Unique 2.59, 4.57 A)
&rst
ixpk= 1107, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 113 ARG HD- 109 LEU MDY 5.50 (# 1108:25 Unique 2.37, 6.11 A)
&rst
ixpk= 1108, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1686,1687,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 120 LYS HA 25 LEU MDY 4.50 (# 1109:25 Unique 2.89, 5.13 A)
&rst
ixpk= 1109, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 124 GLU HG+ 25 LEU MDY 3.50 (# 1110:25 Unique 2.24, 3.47 A)
&rst
ixpk= 1110, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1878,1879,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 25 LEU HG 25 LEU MDY 2.80 (# 1111:25 Unique 2.38, 2.66 A)
&rst
ixpk= 1111, nxpk= 25, iat= 400, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 0 AMB 25-2:1112 109 LEU MDY 2.80 (# 1112:25 Single Ambig)
&rst
ixpk= 1112, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1610,1611,1613,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 0 AMB 25-2:1113 0 AMB 25-1:1113 3.50 (# 1113:25 Double Ambig)
&rst
ixpk= 1113, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1801,1802, 679, 680, 681,
igr2= 402, 403, 404, 406, 407, 408,1615,1616,1617,1619,
1620,1621,
&end
#
# 0 AMB 25-2:1114 26 GLY HA- 2.80 (# 1114:25 Single Ambig)
&rst
ixpk= 1114, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 471, 472, 473,1932,1933,1934,
igr2= 414, 415,
&end
#
# 30 ILE HG1+ 26 GLY HA- 3.50 (# 1115:25 Unique 2.16, 2.93 A)
&rst
ixpk= 1115, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 468, 469,
igr2= 414, 415,
&end
#
# 0 AMB 25-2:1116 26 GLY HA- 3.50 (# 1116:25 Single Ambig)
&rst
ixpk= 1116, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 468, 469, 443, 444,
igr2= 414, 415,
&end
#
# 0 AMB 25-2:1117 0 AMB 25-1:1117 5.50 (# 1117:25 Double Ambig)
&rst
ixpk= 1117, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 446, 447, 440, 441,
igr2= 414, 415, 414, 415,
&end
#
# 0 AMB 25-2:1118 26 GLY HA- 3.50 (# 1118:25 Single Ambig)
&rst
ixpk= 1118, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 446, 447, 440, 441,
igr2= 414, 415,
&end
#
# 29 LYS HB+ 26 GLY HA+ 5.50 (# 1119:25 Unique 2.54, 4.74 A)
&rst
ixpk= 1119, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 440, 441,
igr2= 414, 415,
&end
#
# 0 AMB 25-2:1120 26 GLY HA- 4.50 (# 1120:25 Single Ambig)
&rst
ixpk= 1120, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1929,1930,1923,
igr2= 414, 415,
&end
#
# 27 ALA HN 26 GLY HA+ 3.50 (# 1121:25 Unique 3.08, 3.34 A)
&rst
ixpk= 1121, nxpk= 25, iat= 419, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 414, 415,
&end
#
# 60 GLN HN 59 GLY HA+ 4.50 (# 1122:25 Unique 2.70, 3.33 A)
&rst
ixpk= 1122, nxpk= 25, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 27 ALA HN 26 GLY HA- 4.50 (# 1123:25 Unique 3.08, 3.34 A)
&rst
ixpk= 1123, nxpk= 25, iat= 419, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 414, 415,
&end
#
# 60 GLN HN 59 GLY HA- 4.50 (# 1124:25 Unique 2.70, 3.33 A)
&rst
ixpk= 1124, nxpk= 25, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 876, 877,
&end
#
# 25 LEU HN 26 GLY HA+ 5.50 (# 1126:25 Unique 4.65, 4.99 A)
&rst
ixpk= 1126, nxpk= 25, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 414, 415,
&end
#
# 0 AMB 25-2:1127 26 GLY HA- 5.50 (# 1127:25 Single Ambig)
&rst
ixpk= 1127, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 393, 487,
igr2= 414, 415,
&end
#
# 28 GLY HN 27 ALA HA 3.50 (# 1128:25 Unique 2.16, 2.32 A)
&rst
ixpk= 1128, nxpk= 25, iat= 429, 421, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 LYS HN 27 ALA HA 4.50 (# 1129:25 Unique 3.44, 3.67 A)
&rst
ixpk= 1129, nxpk= 25, iat= 436, 421, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 ILE HN 27 ALA HA 5.50 (# 1130:25 Unique 4.09, 4.31 A)
&rst
ixpk= 1130, nxpk= 25, iat= 458, 421, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 GLY HA- 27 ALA HA 4.50 (# 1131:25 Unique 4.39, 4.51 A)
&rst
ixpk= 1131, nxpk= 25, iat= -1, 421, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 431, 432,
&end
#
# 27 ALA MB 27 ALA HA 2.80 (# 1132:25 Unique 2.46, 2.67 A)
&rst
ixpk= 1132, nxpk= 25, iat= -1, 421, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 423, 424, 425,
&end
#
# 28 GLY HN 27 ALA MB 5.50 (# 1134:25 Unique 2.51, 3.87 A)
&rst
ixpk= 1134, nxpk= 25, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 423, 424, 425,
&end
#
# 28 GLY HA- 27 ALA MB 4.50 (# 1136:25 Unique 4.27, 5.30 A)
&rst
ixpk= 1136, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 431, 432,
igr2= 423, 424, 425,
&end
#
# 29 LYS HG+ 28 GLY HA+ 4.50 (# 1139:25 Unique 3.53, 5.15 A)
&rst
ixpk= 1139, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 443, 444,
igr2= 431, 432,
&end
#
# 27 ALA MB 28 GLY HA+ 4.50 (# 1140:25 Unique 4.27, 5.30 A)
&rst
ixpk= 1140, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 423, 424, 425,
igr2= 431, 432,
&end
#
# 29 LYS HG+ 28 GLY HA- 5.50 (# 1141:25 Unique 3.53, 5.15 A)
&rst
ixpk= 1141, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 443, 444,
igr2= 431, 432,
&end
#
# 27 ALA MB 28 GLY HA- 5.50 (# 1142:25 Unique 4.27, 5.30 A)
&rst
ixpk= 1142, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 423, 424, 425,
igr2= 431, 432,
&end
#
# 1 MET ME 28 GLY HA+ 4.50 (# 1143:25 Unique 2.82, 4.93 A)
&rst
ixpk= 1143, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 15, 16, 17,
igr2= 431, 432,
&end
#
# 1 MET ME 28 GLY HA- 3.50 (# 1144:25 Unique 2.82, 4.93 A)
&rst
ixpk= 1144, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 15, 16, 17,
igr2= 431, 432,
&end
#
# 30 ILE HN 28 GLY HA+ 5.50 (# 1149:25 Unique 4.64, 5.14 A)
&rst
ixpk= 1149, nxpk= 25, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 431, 432,
&end
#
# 29 LYS HN 28 GLY HA+ 4.50 (# 1150:25 Unique 2.84, 3.36 A)
&rst
ixpk= 1150, nxpk= 25, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 431, 432,
&end
#
# 29 LYS HN 28 GLY HA- 3.50 (# 1151:25 Unique 2.84, 3.36 A)
&rst
ixpk= 1151, nxpk= 25, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 431, 432,
&end
#
# 28 GLY HN 28 GLY HA+ 5.50 (# 1152:25 Unique 2.26, 2.59 A)
&rst
ixpk= 1152, nxpk= 25, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 431, 432,
&end
#
# 28 GLY HN 28 GLY HA- 5.50 (# 1153:25 Unique 2.26, 2.59 A)
&rst
ixpk= 1153, nxpk= 25, iat= 429, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 431, 432,
&end
#
# 29 LYS HN 29 LYS HA 4.50 (# 1154:25 Unique 2.92, 2.99 A)
&rst
ixpk= 1154, nxpk= 25, iat= 436, 438, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 ILE HN 29 LYS HA 4.50 (# 1155:25 Unique 3.56, 3.59 A)
&rst
ixpk= 1155, nxpk= 25, iat= 458, 438, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1156 29 LYS HA 4.50 (# 1156:25 Single Ambig)
&rst
ixpk= 1156, nxpk= 25, iat= -1, 438, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 449, 450, 34, 35,
&end
#
# 1 MET HG- 29 LYS HA 5.50 (# 1157:25 Unique 4.01, 5.94 A)
&rst
ixpk= 1157, nxpk= 25, iat= -1, 438, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 11, 12,
&end
#
# 29 LYS HB+ 29 LYS HA 2.80 (# 1158:25 Unique 2.32, 2.60 A)
&rst
ixpk= 1158, nxpk= 25, iat= -1, 438, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 440, 441,
&end
#
# 29 LYS HB- 29 LYS HA 2.80 (# 1159:25 Unique 2.32, 2.60 A)
&rst
ixpk= 1159, nxpk= 25, iat= -1, 438, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 440, 441,
&end
#
# 30 ILE QG2 29 LYS HA 5.50 (# 1160:25 Unique 3.98, 5.01 A)
&rst
ixpk= 1160, nxpk= 25, iat= -1, 438, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 464, 465, 466,
&end
#
# 29 LYS HG+ 29 LYS HB+ 2.80 (# 1161:25 Unique 2.39, 2.76 A)
&rst
ixpk= 1161, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 443, 444,
igr2= 440, 441,
&end
#
# 29 LYS HG+ 29 LYS HB- 2.80 (# 1162:25 Unique 2.39, 2.76 A)
&rst
ixpk= 1162, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 443, 444,
igr2= 440, 441,
&end
#
# 29 LYS HE+ 29 LYS HB- 5.50 (# 1163:25 Unique 2.22, 4.11 A)
&rst
ixpk= 1163, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 449, 450,
igr2= 440, 441,
&end
#
# 26 GLY HA+ 29 LYS HB- 5.50 (# 1164:25 Unique 2.54, 4.74 A)
&rst
ixpk= 1164, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 414, 415,
igr2= 440, 441,
&end
#
# 29 LYS HA 29 LYS HB- 3.50 (# 1165:25 Unique 2.32, 2.60 A)
&rst
ixpk= 1165, nxpk= 25, iat= 438, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 440, 441,
&end
#
# 30 ILE HN 29 LYS HB- 4.50 (# 1166:25 Unique 2.37, 3.58 A)
&rst
ixpk= 1166, nxpk= 25, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 440, 441,
&end
#
# 29 LYS HN 29 LYS HB- 3.50 (# 1167:25 Unique 2.71, 3.41 A)
&rst
ixpk= 1167, nxpk= 25, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 440, 441,
&end
#
# 29 LYS HN 29 LYS HB+ 3.50 (# 1168:25 Unique 2.71, 3.41 A)
&rst
ixpk= 1168, nxpk= 25, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 440, 441,
&end
#
# 122 ARG HN 123 VAL MGX 5.50 (# 1169:25 Unique 3.97, 6.27 A)
&rst
ixpk= 1169, nxpk= 25, iat=1831, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 24 THR HN 123 VAL MGX 5.50 (# 1170:25 Unique 5.57, 7.34 A)
&rst
ixpk= 1170, nxpk= 25, iat= 379, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 25-2:1171 0 AMB 25-1:1171 4.50 (# 1171:25 Double Ambig)
&rst
ixpk= 1171, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1993,1994,1818,
igr2= 443, 444,1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 25-2:1172 0 AMB 25-1:1172 3.50 (# 1172:25 Double Ambig)
&rst
ixpk= 1172, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1857, 431, 432,
igr2=1861,1862,1863,1865,1866,1867, 443, 444,
&end
#
# 122 ARG HA 123 VAL MGX 5.50 (# 1173:25 Unique 5.17, 6.84 A)
&rst
ixpk= 1173, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 29 LYS HB+ 29 LYS HG+ 2.80 (# 1175:25 Unique 2.39, 2.76 A)
&rst
ixpk= 1175, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 440, 441,
igr2= 443, 444,
&end
#
# 0 AMB 25-2:1177 0 AMB 25-1:1177 5.50 (# 1177:25 Double Ambig)
&rst
ixpk= 1177, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 438,1972,
igr2= 446, 447,1958,1959,
&end
#
# 0 AMB 25-2:1180 0 AMB 25-1:1180 5.50 (# 1180:25 Double Ambig)
&rst
ixpk= 1180, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1972, 438,
igr2= 34, 35, 449, 450, 34, 35,
&end
#
# 30 ILE QG2 30 ILE HA 2.80 (# 1181:25 Unique 2.23, 3.01 A)
&rst
ixpk= 1181, nxpk= 25, iat= -1, 460, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 464, 465, 466,
&end
#
# 0 AMB 25-2:1182 30 ILE HA 5.50 (# 1182:25 Single Ambig)
&rst
ixpk= 1182, nxpk= 25, iat= -1, 460, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 71, 72, 73, 75, 76, 77,1983,1984,1985,
&end
#
# 30 ILE HG1+ 30 ILE HA 4.50 (# 1183:25 Unique 3.72, 3.78 A)
&rst
ixpk= 1183, nxpk= 25, iat= -1, 460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 468, 469,
&end
#
# 0 AMB 25-2:1184 30 ILE HA 3.50 (# 1184:25 Single Ambig)
&rst
ixpk= 1184, nxpk= 25, iat= -1, 460, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 468, 469, 481, 482, 483,
&end
#
# 0 AMB 25-2:1185 30 ILE HA 2.80 (# 1185:25 Single Ambig)
&rst
ixpk= 1185, nxpk= 25, iat= -1, 460, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 462, 8, 9,
&end
#
# 1 MET HG+ 30 ILE HA 4.50 (# 1186:25 Unique 2.19, 3.68 A)
&rst
ixpk= 1186, nxpk= 25, iat= -1, 460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 11, 12,
&end
#
# 30 ILE HN 30 ILE HA 3.50 (# 1187:25 Unique 2.94, 2.96 A)
&rst
ixpk= 1187, nxpk= 25, iat= 458, 460, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 2 LYS HN 30 ILE HA 3.50 (# 1188:25 Unique 2.27, 2.81 A)
&rst
ixpk= 1188, nxpk= 25, iat= 21, 460, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 ALA HN 30 ILE HA 2.80 (# 1189:25 Unique 2.19, 2.26 A)
&rst
ixpk= 1189, nxpk= 25, iat= 477, 460, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 30 ILE HN 30 ILE HB 5.50 (# 1190:25 Unique 3.82, 3.88 A)
&rst
ixpk= 1190, nxpk= 25, iat= 458, 462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 GLY HA+ 30 ILE HB 5.50 (# 1191:25 Unique 4.71, 5.35 A)
&rst
ixpk= 1191, nxpk= 25, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 414, 415,
&end
#
# 30 ILE HG1- 30 ILE HB 2.80 (# 1192:25 Unique 2.41, 2.74 A)
&rst
ixpk= 1192, nxpk= 25, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 468, 469,
&end
#
# 30 ILE HN 30 ILE HG1- 3.50 (# 1193:25 Unique 2.29, 2.76 A)
&rst
ixpk= 1193, nxpk= 25, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 468, 469,
&end
#
# 30 ILE HN 30 ILE HG1+ 3.50 (# 1194:25 Unique 2.29, 2.76 A)
&rst
ixpk= 1194, nxpk= 25, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 468, 469,
&end
#
# 0 AMB 25-2:1195 30 ILE HG1- 5.50 (# 1195:25 Single Ambig)
&rst
ixpk= 1195, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 460, 489,
igr2= 468, 469,
&end
#
# 0 AMB 25-2:1196 0 AMB 25-1:1196 5.50 (# 1196:25 Double Ambig)
&rst
ixpk= 1196, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 460, 489,
igr2= 468, 469, 468, 469,
&end
#
# 26 GLY HA+ 30 ILE HG1- 3.50 (# 1197:25 Unique 2.16, 2.93 A)
&rst
ixpk= 1197, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 414, 415,
igr2= 468, 469,
&end
#
# 0 AMB 25-2:1198 0 AMB 25-1:1198 3.50 (# 1198:25 Double Ambig)
&rst
ixpk= 1198, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 414, 415,1546,1547,
igr2= 468, 469,1549,1550,
&end
#
# 104 PRO HA 104 PRO HG- 4.50 (# 1199:25 Unique 3.72, 3.95 A)
&rst
ixpk= 1199, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1549,1550,
&end
#
# 104 PRO HA 104 PRO HG+ 4.50 (# 1200:25 Unique 3.72, 3.95 A)
&rst
ixpk= 1200, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1549,1550,
&end
#
# 26 GLY HA- 30 ILE HG1- 4.50 (# 1201:25 Unique 2.16, 2.93 A)
&rst
ixpk= 1201, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 414, 415,
igr2= 468, 469,
&end
#
# 0 AMB 25-2:1202 0 AMB 25-1:1202 3.50 (# 1202:25 Double Ambig)
&rst
ixpk= 1202, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1658, 414, 415,
igr2=1549,1550, 468, 469,
&end
#
# 0 AMB 25-2:1203 0 AMB 25-1:1203 2.80 (# 1203:25 Double Ambig)
&rst
ixpk= 1203, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 462, 440, 441,
igr2= 468, 469, 468, 469,
&end
#
# 30 ILE QD1 30 ILE HG1+ 2.80 (# 1206:25 Unique 2.27, 2.66 A)
&rst
ixpk= 1206, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 471, 472, 473,
igr2= 468, 469,
&end
#
# 30 ILE QD1 30 ILE HG1- 2.80 (# 1207:25 Unique 2.27, 2.66 A)
&rst
ixpk= 1207, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 471, 472, 473,
igr2= 468, 469,
&end
#
# 0 AMB 25-2:1208 30 ILE QD1 5.50 (# 1208:25 Single Ambig)
&rst
ixpk= 1208, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 65, 393,
igr2= 471, 472, 473,
&end
#
# 0 AMB 25-2:1209 30 ILE QD1 4.50 (# 1209:25 Single Ambig)
&rst
ixpk= 1209, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 477, 357,
igr2= 471, 472, 473,
&end
#
# 30 ILE HN 30 ILE QD1 4.50 (# 1210:25 Unique 4.53, 4.86 A)
&rst
ixpk= 1210, nxpk= 25, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 471, 472, 473,
&end
#
# 0 AMB 25-2:1211 0 AMB 25-1:1211 5.50 (# 1211:25 Double Ambig)
&rst
ixpk= 1211, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 615, 412,
igr2= 710, 711, 712, 471, 472, 473,
&end
#
# 0 AMB 25-2:1213 30 ILE QD1 4.50 (# 1213:25 Single Ambig)
&rst
ixpk= 1213, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 460, 45, 489,
igr2= 471, 472, 473,
&end
#
# 0 AMB 25-2:1214 0 AMB 25-1:1214 3.50 (# 1214:25 Double Ambig)
&rst
ixpk= 1214, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 440, 441, 446, 447, 606, 607,
igr2= 471, 472, 473, 710, 711, 712,
&end
#
# 30 ILE HG1- 30 ILE QD1 2.80 (# 1215:25 Unique 2.27, 2.66 A)
&rst
ixpk= 1215, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 468, 469,
igr2= 471, 472, 473,
&end
#
# 0 AMB 25-2:1216 30 ILE QD1 2.80 (# 1216:25 Single Ambig)
&rst
ixpk= 1216, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 468, 469, 493, 494, 495, 497, 498, 499,
igr2= 471, 472, 473,
&end
#
# 4 VAL MGX 30 ILE QD1 5.50 (# 1217:25 Unique 2.15, 4.49 A)
&rst
ixpk= 1217, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 71, 72, 73, 75, 76, 77,
igr2= 471, 472, 473,
&end
#
# 30 ILE HG1- 30 ILE QG2 2.80 (# 1218:25 Unique 2.52, 3.58 A)
&rst
ixpk= 1218, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 468, 469,
igr2= 464, 465, 466,
&end
#
# 2 LYS HB- 30 ILE QG2 3.50 (# 1219:25 Unique 2.12, 3.52 A)
&rst
ixpk= 1219, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 25, 26,
igr2= 464, 465, 466,
&end
#
# 30 ILE HB 30 ILE QG2 2.80 (# 1220:25 Unique 2.36, 2.64 A)
&rst
ixpk= 1220, nxpk= 25, iat= 462, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 464, 465, 466,
&end
#
# 29 LYS HE+ 30 ILE QG2 5.50 (# 1221:25 Unique 5.37, 7.56 A)
&rst
ixpk= 1221, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 449, 450,
igr2= 464, 465, 466,
&end
#
# 2 LYS HA 30 ILE QG2 5.50 (# 1222:25 Unique 3.95, 5.19 A)
&rst
ixpk= 1222, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 464, 465, 466,
&end
#
# 29 LYS HA 30 ILE QG2 5.50 (# 1223:25 Unique 3.98, 5.01 A)
&rst
ixpk= 1223, nxpk= 25, iat= 438, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 464, 465, 466,
&end
#
# 30 ILE HN 30 ILE QG2 5.50 (# 1224:25 Unique 3.17, 4.00 A)
&rst
ixpk= 1224, nxpk= 25, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 464, 465, 466,
&end
#
# 2 LYS HN 30 ILE QG2 4.50 (# 1225:25 Unique 2.16, 3.49 A)
&rst
ixpk= 1225, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 464, 465, 466,
&end
#
# 31 ALA HN 30 ILE QG2 4.50 (# 1226:25 Unique 3.76, 4.48 A)
&rst
ixpk= 1226, nxpk= 25, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 464, 465, 466,
&end
#
# 32 VAL HN 31 ALA HA 2.80 (# 1227:25 Unique 2.23, 2.30 A)
&rst
ixpk= 1227, nxpk= 25, iat= 487, 479, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 VAL MGX 31 ALA HA 4.50 (# 1228:25 Unique 3.27, 5.67 A)
&rst
ixpk= 1228, nxpk= 25, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 3 LYS HN 31 ALA MB 5.50 (# 1229:25 Unique 4.41, 5.81 A)
&rst
ixpk= 1229, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 481, 482, 483,
&end
#
# 21 PHE HD 24 THR MG2 4.50 (# 1230:25 Unique 2.75, 5.57 A)
&rst
ixpk= 1230, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 335, 343,
igr2= 385, 386, 387,
&end
#
# 33 THR HB 31 ALA MB 5.50 (# 1233:25 Unique 6.19, 6.89 A)
&rst
ixpk= 1233, nxpk= 25, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 481, 482, 483,
&end
#
# 55 ILE QD1 24 THR MG2 2.80 (# 1236:25 Unique 2.52, 4.64 A)
&rst
ixpk= 1236, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 826, 827, 828,
igr2= 385, 386, 387,
&end
#
# 4 VAL MGX 32 VAL HA 5.50 (# 1237:25 Unique 3.20, 4.44 A)
&rst
ixpk= 1237, nxpk= 25, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL MGY 32 VAL HA 3.50 (# 1238:25 Unique 3.20, 4.44 A)
&rst
ixpk= 1238, nxpk= 25, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 32 VAL MGX 32 VAL HA 3.50 (# 1239:25 Unique 2.32, 3.21 A)
&rst
ixpk= 1239, nxpk= 25, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL MGY 32 VAL HA 2.80 (# 1240:25 Unique 2.32, 3.21 A)
&rst
ixpk= 1240, nxpk= 25, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 25-2:1241 32 VAL HA 5.50 (# 1241:25 Single Ambig)
&rst
ixpk= 1241, nxpk= 25, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 481, 482, 483, 468, 469,
&end
#
# 4 VAL HB 32 VAL HA 3.50 (# 1242:25 Unique 2.06, 2.22 A)
&rst
ixpk= 1242, nxpk= 25, iat= 69, 489, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 VAL HB 32 VAL HA 3.50 (# 1243:25 Unique 2.41, 2.96 A)
&rst
ixpk= 1243, nxpk= 25, iat= 491, 489, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1245 32 VAL HA 4.50 (# 1245:25 Single Ambig)
&rst
ixpk= 1245, nxpk= 25, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 507, 521, 522,
&end
#
# 6 PHE HD 32 VAL HA 5.50 (# 1246:25 Unique 4.52, 6.75 A)
&rst
ixpk= 1246, nxpk= 25, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 0 AMB 25-2:1247 32 VAL HA 2.80 (# 1247:25 Single Ambig)
&rst
ixpk= 1247, nxpk= 25, iat= -1, 489, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 503, 65,
&end
#
# 23 LYS HE+ 32 VAL HB 5.50 (# 1248:25 Unique 2.89, 4.73 A)
&rst
ixpk= 1248, nxpk= 25, iat= -1, 491, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 370, 371,
&end
#
# 22 ALA HN 32 VAL MGX 5.50 (# 1250:25 Unique 4.08, 5.48 A)
&rst
ixpk= 1250, nxpk= 25, iat= 347, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 25-2:1252 42 VAL MGY 3.50 (# 1252:25 Single Ambig)
&rst
ixpk= 1252, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 628, 865,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 0 AMB 25-2:1253 32 VAL MGX 3.50 (# 1253:25 Single Ambig)
&rst
ixpk= 1253, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 307, 521, 522,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 47 ILE HA 42 VAL MGY 5.50 (# 1254:25 Unique 4.19, 6.08 A)
&rst
ixpk= 1254, nxpk= 25, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 23 LYS HE+ 32 VAL MGX 4.50 (# 1255:25 Unique 3.09, 5.81 A)
&rst
ixpk= 1255, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 370, 371,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 25-2:1256 0 AMB 25-1:1256 2.80 (# 1256:25 Double Ambig)
&rst
ixpk= 1256, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 630, 361, 362,
igr2= 632, 633, 634, 636, 637, 638, 493, 494, 495, 497,
498, 499,
&end
#
# 0 AMB 25-2:1257 0 AMB 25-1:1257 2.80 (# 1257:25 Double Ambig)
&rst
ixpk= 1257, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
igr1= 351, 352, 353, 268, 269, 691, 692, 693,
igr2= 493, 494, 495, 497, 498, 499, 632, 633, 634, 636,
637, 638,
&end
#
# 33 THR HB 33 THR HA 3.50 (# 1258:25 Unique 3.01, 3.03 A)
&rst
ixpk= 1258, nxpk= 25, iat= 507, 505, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 SER HA 33 THR HA 5.50 (# 1259:25 Unique 4.53, 5.20 A)
&rst
ixpk= 1259, nxpk= 25, iat= 519, 505, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 SER HN 33 THR HB 5.50 (# 1260:25 Unique 3.56, 4.01 A)
&rst
ixpk= 1260, nxpk= 25, iat= 528, 507, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 SER HN 33 THR HB 4.50 (# 1261:25 Unique 2.25, 2.76 A)
&rst
ixpk= 1261, nxpk= 25, iat= 517, 507, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:1262 33 THR HB 4.50 (# 1262:25 Single Ambig)
&rst
ixpk= 1262, nxpk= 25, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 489, 530, 45,
&end
#
# 33 THR HA 33 THR HB 3.50 (# 1264:25 Unique 3.01, 3.03 A)
&rst
ixpk= 1264, nxpk= 25, iat= 505, 507, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 THR MG2 33 THR HB 2.80 (# 1267:25 Unique 2.44, 2.69 A)
&rst
ixpk= 1267, nxpk= 25, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 509, 510, 511,
&end
#
# 5 MET ME 33 THR HB 4.50 (# 1268:25 Unique 2.34, 3.62 A)
&rst
ixpk= 1268, nxpk= 25, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 92, 93, 94,
&end
#
# 0 AMB 25-2:1270 0 AMB 25-1:1270 4.50 (# 1270:25 Double Ambig)
&rst
ixpk= 1270, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1606, 528,
igr2=1615,1616,1617,1619,1620,1621, 509, 510, 511,
&end
#
# 33 THR HB 33 THR MG2 2.80 (# 1272:25 Unique 2.44, 2.69 A)
&rst
ixpk= 1272, nxpk= 25, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 509, 510, 511,
&end
#
# 35 SER HN 34 SER HA 3.50 (# 1273:25 Unique 2.09, 2.58 A)
&rst
ixpk= 1273, nxpk= 25, iat= 528, 519, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 SER HN 34 SER HA 3.50 (# 1274:25 Unique 2.19, 2.41 A)
&rst
ixpk= 1274, nxpk= 25, iat= 517, 519, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PHE HD 34 SER HA 5.50 (# 1275:25 Unique 4.58, 6.38 A)
&rst
ixpk= 1275, nxpk= 25, iat= -1, 519, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 0 AMB 25-2:1276 34 SER HA 5.50 (# 1276:25 Single Ambig)
&rst
ixpk= 1276, nxpk= 25, iat= -1, 519, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 530, 489,
&end
#
# 34 SER HB- 34 SER HA 2.80 (# 1277:25 Unique 2.32, 2.70 A)
&rst
ixpk= 1277, nxpk= 25, iat= -1, 519, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 521, 522,
&end
#
# 5 MET HB- 34 SER HA 4.50 (# 1278:25 Unique 2.19, 3.64 A)
&rst
ixpk= 1278, nxpk= 25, iat= -1, 519, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 85, 86,
&end
#
# 5 MET HB+ 34 SER HA 5.50 (# 1279:25 Unique 2.19, 3.64 A)
&rst
ixpk= 1279, nxpk= 25, iat= -1, 519, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 85, 86,
&end
#
# 5 MET HG+ 34 SER HA 5.50 (# 1280:25 Unique 2.95, 4.36 A)
&rst
ixpk= 1280, nxpk= 25, iat= -1, 519, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 88, 89,
&end
#
# 33 THR MG2 34 SER HA 5.50 (# 1281:25 Unique 3.91, 5.47 A)
&rst
ixpk= 1281, nxpk= 25, iat= -1, 519, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 509, 510, 511,
&end
#
# 34 SER HN 34 SER HB- 3.50 (# 1284:25 Unique 2.90, 3.64 A)
&rst
ixpk= 1284, nxpk= 25, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 521, 522,
&end
#
# 34 SER HN 34 SER HB+ 4.50 (# 1285:25 Unique 2.90, 3.64 A)
&rst
ixpk= 1285, nxpk= 25, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 521, 522,
&end
#
# 34 SER HA 34 SER HB+ 3.50 (# 1286:25 Unique 2.32, 2.70 A)
&rst
ixpk= 1286, nxpk= 25, iat= 519, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 521, 522,
&end
#
# 34 SER HA 34 SER HB- 3.50 (# 1287:25 Unique 2.32, 2.70 A)
&rst
ixpk= 1287, nxpk= 25, iat= 519, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 521, 522,
&end
#
# 5 MET HB- 34 SER HB+ 5.50 (# 1290:25 Unique 4.28, 5.98 A)
&rst
ixpk= 1290, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 85, 86,
igr2= 521, 522,
&end
#
# 5 MET HB- 34 SER HB- 5.50 (# 1291:25 Unique 4.28, 5.98 A)
&rst
ixpk= 1291, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 85, 86,
igr2= 521, 522,
&end
#
# 35 SER HB- 35 SER HA 3.50 (# 1292:25 Unique 2.18, 2.68 A)
&rst
ixpk= 1292, nxpk= 25, iat= -1, 530, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 532, 533,
&end
#
# 36 GLY HN 35 SER HA 3.50 (# 1295:25 Unique 2.18, 2.39 A)
&rst
ixpk= 1295, nxpk= 25, iat= 539, 530, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 SER HN 35 SER HB+ 5.50 (# 1297:25 Double Ambig)
&rst
ixpk= 1297, nxpk= 25, iat= 528, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 532, 533,
&end
#
# 35 SER HN 35 SER HB- 4.50 (# 1298:25 Single Ambig)
&rst
ixpk= 1298, nxpk= 25, iat= 528, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 532, 533,
&end
#
# 36 GLY HN 35 SER HB+ 3.50 (# 1299:25 Unique 2.20, 3.26 A)
&rst
ixpk= 1299, nxpk= 25, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 532, 533,
&end
#
# 36 GLY HN 35 SER HB- 4.50 (# 1300:25 Unique 2.20, 3.26 A)
&rst
ixpk= 1300, nxpk= 25, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 532, 533,
&end
#
# 68 PHE HE 35 SER HB+ 4.50 (# 1302:25 Unique 2.18, 4.91 A)
&rst
ixpk= 1302, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1007,1011,
igr2= 532, 533,
&end
#
# 68 PHE HE 35 SER HB- 4.50 (# 1303:25 Unique 2.18, 4.91 A)
&rst
ixpk= 1303, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1007,1011,
igr2= 532, 533,
&end
#
# 0 AMB 25-2:1304 35 SER HB- 4.50 (# 1304:25 Single Ambig)
&rst
ixpk= 1304, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1009,1005,1013,
igr2= 532, 533,
&end
#
# 35 SER HA 35 SER HB+ 3.50 (# 1305:25 Unique 2.18, 2.68 A)
&rst
ixpk= 1305, nxpk= 25, iat= 530, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 532, 533,
&end
#
# 35 SER HA 35 SER HB- 3.50 (# 1306:25 Unique 2.18, 2.68 A)
&rst
ixpk= 1306, nxpk= 25, iat= 530, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 532, 533,
&end
#
# 65 ILE HA 35 SER HB+ 3.50 (# 1310:25 Unique 2.10, 2.59 A)
&rst
ixpk= 1310, nxpk= 25, iat= 951, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 532, 533,
&end
#
# 65 ILE HA 35 SER HB- 3.50 (# 1311:25 Unique 2.10, 2.59 A)
&rst
ixpk= 1311, nxpk= 25, iat= 951, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 532, 533,
&end
#
# 65 ILE HB 35 SER HB+ 5.50 (# 1314:25 Unique 2.20, 2.94 A)
&rst
ixpk= 1314, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 532, 533,
&end
#
# 65 ILE HB 35 SER HB- 5.50 (# 1315:25 Unique 2.20, 2.94 A)
&rst
ixpk= 1315, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 532, 533,
&end
#
# 65 ILE HG1- 35 SER HB+ 4.50 (# 1316:25 Unique 2.22, 3.78 A)
&rst
ixpk= 1316, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960,
igr2= 532, 533,
&end
#
# 65 ILE QD1 35 SER HB+ 5.50 (# 1320:25 Unique 2.40, 4.47 A)
&rst
ixpk= 1320, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 962, 963, 964,
igr2= 532, 533,
&end
#
# 65 ILE QD1 35 SER HB- 5.50 (# 1321:25 Unique 2.40, 4.47 A)
&rst
ixpk= 1321, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 962, 963, 964,
igr2= 532, 533,
&end
#
# 0 AMB 25-2:1323 0 AMB 25-1:1323 3.50 (# 1323:25 Double Ambig)
&rst
ixpk= 1323, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 539, 546,
igr2= 541, 542, 541, 542,
&end
#
# 37 LEU HB+ 36 GLY HA+ 5.50 (# 1326:25 Unique 4.34, 5.37 A)
&rst
ixpk= 1326, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 550, 551,
igr2= 541, 542,
&end
#
# 37 LEU HA 36 GLY HA+ 5.50 (# 1327:25 Unique 4.32, 4.51 A)
&rst
ixpk= 1327, nxpk= 25, iat= 548, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 541, 542,
&end
#
# 37 LEU HN 37 LEU HB+ 4.50 (# 1328:25 Unique 2.36, 3.23 A)
&rst
ixpk= 1328, nxpk= 25, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 550, 551,
&end
#
# 38 GLU HN 37 LEU HB+ 5.50 (# 1329:25 Unique 1.81, 3.31 A)
&rst
ixpk= 1329, nxpk= 25, iat= 565, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 550, 551,
&end
#
# 37 LEU HN 37 LEU HB- 4.50 (# 1330:25 Unique 2.36, 3.23 A)
&rst
ixpk= 1330, nxpk= 25, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 550, 551,
&end
#
# 37 LEU HA 37 LEU HB- 3.50 (# 1331:25 Unique 2.45, 2.81 A)
&rst
ixpk= 1331, nxpk= 25, iat= 548, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 550, 551,
&end
#
# 37 LEU HA 37 LEU HB+ 3.50 (# 1332:25 Unique 2.45, 2.81 A)
&rst
ixpk= 1332, nxpk= 25, iat= 548, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 550, 551,
&end
#
# 37 LEU HN 37 LEU HG 3.50 (# 1333:25 Unique 2.83, 3.46 A)
&rst
ixpk= 1333, nxpk= 25, iat= 546, 553, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 LEU HA 37 LEU HG 3.50 (# 1335:25 Unique 2.27, 2.86 A)
&rst
ixpk= 1335, nxpk= 25, iat= 548, 553, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 GLY HN 37 LEU MDX 5.50 (# 1340:25 Unique 4.89, 7.43 A)
&rst
ixpk= 1340, nxpk= 25, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 120 LYS HD- 120 LYS HG+ 2.80 (# 1343:25 Unique 2.42, 2.77 A)
&rst
ixpk= 1343, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1804,1805,
igr2=1801,1802,
&end
#
# 37 LEU HG 37 LEU MDY 2.80 (# 1344:25 Unique 2.36, 2.67 A)
&rst
ixpk= 1344, nxpk= 25, iat= 553, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 0 AMB 25-2:1345 0 AMB 25-1:1345 3.50 (# 1345:25 Double Ambig)
&rst
ixpk= 1345, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1875,1876, 572, 573,
igr2=1801,1802, 555, 556, 557, 559, 560, 561,
&end
#
# 87 PRO HD+ 37 LEU MDY 4.50 (# 1349:25 Unique 3.06, 6.22 A)
&rst
ixpk= 1349, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1264,1265,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 0 AMB 25-2:1350 0 AMB 25-1:1350 5.50 (# 1350:25 Double Ambig)
&rst
ixpk= 1350, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 337, 341,1816,
igr2=1801,1802,1801,1802,
&end
#
# 37 LEU HN 37 LEU MDY 4.50 (# 1351:25 Unique 2.24, 5.08 A)
&rst
ixpk= 1351, nxpk= 25, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 41 ARG HD+ 41 ARG HA 4.50 (# 1356:25 Unique 2.15, 4.33 A)
&rst
ixpk= 1356, nxpk= 25, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 612, 613,
&end
#
# 38 GLU HB- 38 GLU HA 2.80 (# 1360:25 Unique 2.42, 2.76 A)
&rst
ixpk= 1360, nxpk= 25, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 569, 570,
&end
#
# 41 ARG HB+ 41 ARG HA 2.80 (# 1361:25 Unique 2.21, 2.85 A)
&rst
ixpk= 1361, nxpk= 25, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 606, 607,
&end
#
# 42 VAL MGY 41 ARG HA 4.50 (# 1362:25 Unique 2.90, 4.99 A)
&rst
ixpk= 1362, nxpk= 25, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 632, 633, 634, 636, 637, 638,
&end
#
# 61 THR MG2 41 ARG HA 5.50 (# 1363:25 Unique 2.82, 5.31 A)
&rst
ixpk= 1363, nxpk= 25, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 904, 905, 906,
&end
#
# 65 ILE HB 64 PRO HB- 5.50 (# 1365:25 Unique 5.29, 5.89 A)
&rst
ixpk= 1365, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 942, 943,
&end
#
# 0 AMB 25-2:1366 0 AMB 25-1:1366 4.50 (# 1366:25 Double Ambig)
&rst
ixpk= 1366, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 550, 551, 550, 551,
igr2= 569, 570, 942, 943,
&end
#
# 20 GLY HA- 23 LYS HB- 5.50 (# 1368:25 Unique 2.46, 5.18 A)
&rst
ixpk= 1368, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 322, 323,
igr2= 361, 362,
&end
#
# 64 PRO HD+ 64 PRO HB- 5.50 (# 1369:25 Unique 2.77, 3.66 A)
&rst
ixpk= 1369, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 936, 937,
igr2= 942, 943,
&end
#
# 84 VAL HA 84 VAL HB 2.80 (# 1371:25 Unique 2.36, 2.50 A)
&rst
ixpk= 1371, nxpk= 25, iat=1216,1218, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 39 SER HN 38 GLU HB+ 5.50 (# 1375:25 Unique 1.84, 3.43 A)
&rst
ixpk= 1375, nxpk= 25, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 569, 570,
&end
#
# 66 GLU HN 64 PRO HB- 4.50 (# 1376:25 Unique 2.44, 3.41 A)
&rst
ixpk= 1376, nxpk= 25, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 942, 943,
&end
#
# 89 GLU HN 88 PRO HB- 4.50 (# 1377:25 Unique 2.79, 3.79 A)
&rst
ixpk= 1377, nxpk= 25, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1284,1285,
&end
#
# 38 GLU HN 38 GLU HG- 3.50 (# 1379:25 Unique 2.24, 3.31 A)
&rst
ixpk= 1379, nxpk= 25, iat= 565, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 572, 573,
&end
#
# 99 TRP HE1 97 GLU HG+ 5.50 (# 1380:25 Unique 3.95, 5.11 A)
&rst
ixpk= 1380, nxpk= 25, iat=1468, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1438,1439,
&end
#
# 0 AMB 25-2:1383 0 AMB 25-1:1383 4.50 (# 1383:25 Double Ambig)
&rst
ixpk= 1383, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 743, 813,
igr2= 767, 768, 767, 768,
&end
#
# 125 ASN HD2- 121 GLU HG- 5.50 (# 1385:25 Unique 5.44, 6.78 A)
&rst
ixpk= 1385, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1895,1896,
igr2=1823,1824,
&end
#
# 0 AMB 25-2:1387 0 AMB 25-1:1387 5.50 (# 1387:25 Double Ambig)
&rst
ixpk= 1387, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1162, 120,
igr2= 230, 231, 230, 231,
&end
#
# 0 AMB 25-2:1388 0 AMB 25-1:1388 2.80 (# 1388:25 Double Ambig)
&rst
ixpk= 1388, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 228,1818,
igr2= 230, 231,1823,1824,
&end
#
# 95 ILE HG1- 97 GLU HG+ 2.80 (# 1389:25 Unique 2.28, 3.30 A)
&rst
ixpk= 1389, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1402,1403,
igr2=1438,1439,
&end
#
# 0 AMB 25-2:1390 0 AMB 25-1:1390 2.80 (# 1390:25 Double Ambig)
&rst
ixpk= 1390, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 233, 234,1402,1403,
igr2= 230, 231,1438,1439,
&end
#
# 77 ILE QD1 97 GLU HG+ 3.50 (# 1391:25 Unique 2.43, 3.84 A)
&rst
ixpk= 1391, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1143,1144,1145,
igr2=1438,1439,
&end
#
# 15 SER HN 14 ARG HB- 4.50 (# 1394:25 Unique 1.98, 3.27 A)
&rst
ixpk= 1394, nxpk= 25, iat= 250, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 230, 231,
&end
#
# 0 AMB 25-2:1396 0 AMB 25-1:1396 2.80 (# 1396:25 Double Ambig)
&rst
ixpk= 1396, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1435,1436,1503,1504, 550, 551,
igr2=1438,1439, 230, 231, 572, 573,
&end
#
# 39 SER HN 39 SER HA 5.50 (# 1397:25 Unique 2.21, 2.72 A)
&rst
ixpk= 1397, nxpk= 25, iat= 580, 582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 SER HB+ 39 SER HA 2.80 (# 1400:25 Unique 2.17, 2.59 A)
&rst
ixpk= 1400, nxpk= 25, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 584, 585,
&end
#
# 39 SER HN 39 SER HB+ 3.50 (# 1405:25 Unique 2.37, 3.49 A)
&rst
ixpk= 1405, nxpk= 25, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 584, 585,
&end
#
# 11 ASN HD2+ 39 SER HB+ 5.50 (# 1410:25 Unique 3.43, 6.07 A)
&rst
ixpk= 1410, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 199, 200,
igr2= 584, 585,
&end
#
# 0 AMB 25-2:1416 0 AMB 25-1:1416 2.80 (# 1416:25 Double Ambig)
&rst
ixpk= 1416, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 582, 900,
igr2= 584, 585, 584, 585,
&end
#
# 11 ASN HB- 39 SER HB+ 5.50 (# 1417:25 Unique 2.20, 4.18 A)
&rst
ixpk= 1417, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 194, 195,
igr2= 584, 585,
&end
#
# 38 GLU HB- 39 SER HB+ 4.50 (# 1418:25 Unique 3.90, 5.74 A)
&rst
ixpk= 1418, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 569, 570,
igr2= 584, 585,
&end
#
# 40 SER HB+ 40 SER HA 2.80 (# 1419:25 Unique 2.32, 2.69 A)
&rst
ixpk= 1419, nxpk= 25, iat= -1, 593, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 595, 596,
&end
#
# 40 SER HA 40 SER HB+ 2.80 (# 1420:25 Unique 2.32, 2.69 A)
&rst
ixpk= 1420, nxpk= 25, iat= 593, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 595, 596,
&end
#
# 127 ILE QG2 131 SER HB+ 3.50 (# 1423:25 Unique 2.65, 4.05 A)
&rst
ixpk= 1423, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1925,1926,1927,
igr2=1993,1994,
&end
#
# 127 ILE QG2 131 SER HB- 3.50 (# 1424:25 Unique 2.65, 4.05 A)
&rst
ixpk= 1424, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1925,1926,1927,
igr2=1993,1994,
&end
#
# 41 ARG HD+ 41 ARG HB- 3.50 (# 1425:25 Unique 2.32, 3.06 A)
&rst
ixpk= 1425, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 612, 613,
igr2= 606, 607,
&end
#
# 41 ARG HD+ 41 ARG HB+ 2.80 (# 1426:25 Unique 2.32, 3.06 A)
&rst
ixpk= 1426, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 612, 613,
igr2= 606, 607,
&end
#
# 91 VAL HN 91 VAL HB 3.50 (# 1427:25 Unique 3.60, 3.63 A)
&rst
ixpk= 1427, nxpk= 25, iat=1330,1334, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 GLN HA 16 GLN HG+ 5.50 (# 1431:25 Unique 2.35, 3.45 A)
&rst
ixpk= 1431, nxpk= 25, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 268, 269,
&end
#
# 16 GLN HA 16 GLN HG- 5.50 (# 1432:25 Unique 2.35, 3.45 A)
&rst
ixpk= 1432, nxpk= 25, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 268, 269,
&end
#
# 42 VAL HN 41 ARG HB+ 4.50 (# 1433:25 Unique 2.17, 3.36 A)
&rst
ixpk= 1433, nxpk= 25, iat= 626, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 606, 607,
&end
#
# 2 LYS HN 2 LYS HG+ 3.50 (# 1434:25 Unique 1.82, 2.51 A)
&rst
ixpk= 1434, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 28, 29,
&end
#
# 0 AMB 25-2:1435 101 LEU HG 2.80 (# 1435:25 Single Ambig)
&rst
ixpk= 1435, nxpk= 25, iat= -1,1506, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1784,1785,1786,1788,1789,1790,1508,1509,1510,1512,
1513,1514,
&end
#
# 37 LEU MDY 37 LEU HG 2.80 (# 1436:25 Unique 2.36, 2.67 A)
&rst
ixpk= 1436, nxpk= 25, iat= -1, 553, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 41 ARG HA 41 ARG HD+ 4.50 (# 1439:25 Unique 2.15, 4.33 A)
&rst
ixpk= 1439, nxpk= 25, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 612, 613,
&end
#
# 42 VAL HN 41 ARG HD+ 5.50 (# 1441:25 Unique 3.39, 4.76 A)
&rst
ixpk= 1441, nxpk= 25, iat= 626, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 612, 613,
&end
#
# 42 VAL MGY 42 VAL HA 3.50 (# 1442:25 Unique 2.42, 3.58 A)
&rst
ixpk= 1442, nxpk= 25, iat= -1, 628, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 632, 633, 634, 636, 637, 638,
&end
#
# 0 AMB 25-2:1443 42 VAL HA 5.50 (# 1443:25 Single Ambig)
&rst
ixpk= 1443, nxpk= 25, iat= -1, 628, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 265, 266, 268, 269,
&end
#
# 42 VAL HB 42 VAL HA 2.80 (# 1444:25 Unique 2.28, 2.38 A)
&rst
ixpk= 1444, nxpk= 25, iat= 630, 628, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 HIS HA 42 VAL HA 4.50 (# 1446:25 Unique 4.17, 4.36 A)
&rst
ixpk= 1446, nxpk= 25, iat= 644, 628, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLN HA 42 VAL HA 5.50 (# 1447:25 Unique 3.28, 4.82 A)
&rst
ixpk= 1447, nxpk= 25, iat= 263, 628, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 ASN HD2- 42 VAL HA 3.50 (# 1448:25 Unique 3.21, 4.01 A)
&rst
ixpk= 1448, nxpk= 25, iat= -1, 628, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 199, 200,
&end
#
# 0 AMB 25-2:1449 42 VAL HA 4.50 (# 1449:25 Single Ambig)
&rst
ixpk= 1449, nxpk= 25, iat= -1, 628, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 199, 200, 273, 274,
&end
#
# 0 AMB 25-2:1450 42 VAL HA 4.50 (# 1450:25 Single Ambig)
&rst
ixpk= 1450, nxpk= 25, iat= -1, 628, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 655, 273, 274,
&end
#
# 42 VAL HN 42 VAL HA 3.50 (# 1451:25 Unique 2.78, 2.88 A)
&rst
ixpk= 1451, nxpk= 25, iat= 626, 628, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 43 HIS HN 42 VAL HB 5.50 (# 1452:25 Unique 2.16, 2.65 A)
&rst
ixpk= 1452, nxpk= 25, iat= 642, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 VAL HA 42 VAL HB 2.80 (# 1453:25 Unique 2.28, 2.38 A)
&rst
ixpk= 1453, nxpk= 25, iat= 628, 630, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:1455 42 VAL MGX 2.80 (# 1455:25 Single Ambig)
&rst
ixpk= 1455, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 628, 865,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 60 GLN HN 42 VAL MGX 4.50 (# 1457:25 Unique 2.86, 4.93 A)
&rst
ixpk= 1457, nxpk= 25, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 41 ARG HB+ 42 VAL MGX 3.50 (# 1458:25 Unique 3.76, 6.00 A)
&rst
ixpk= 1458, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 606, 607,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 42 VAL HB 42 VAL MGX 2.80 (# 1459:25 Unique 2.32, 2.65 A)
&rst
ixpk= 1459, nxpk= 25, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 60 GLN HB+ 42 VAL MGX 3.50 (# 1460:25 Unique 2.17, 5.04 A)
&rst
ixpk= 1460, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 885, 886,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 11 ASN HB+ 42 VAL MGX 5.50 (# 1461:25 Unique 4.24, 7.92 A)
&rst
ixpk= 1461, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 194, 195,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 0 AMB 25-2:1462 42 VAL MGX 5.50 (# 1462:25 Single Ambig)
&rst
ixpk= 1462, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 669, 876, 877,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 11 ASN HD2+ 42 VAL MGX 5.50 (# 1463:25 Unique 2.27, 5.09 A)
&rst
ixpk= 1463, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 199, 200,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 0 AMB 25-2:1464 42 VAL MGX 5.50 (# 1464:25 Single Ambig)
&rst
ixpk= 1464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 697, 687,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 43 HIS HN 42 VAL MGX 4.50 (# 1465:25 Unique 2.42, 4.36 A)
&rst
ixpk= 1465, nxpk= 25, iat= 642, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 46 ALA HN 42 VAL MGY 5.50 (# 1466:25 Unique 4.50, 7.02 A)
&rst
ixpk= 1466, nxpk= 25, iat= 687, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 60 GLN HN 42 VAL MGY 3.50 (# 1467:25 Unique 2.86, 4.93 A)
&rst
ixpk= 1467, nxpk= 25, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 11 ASN HD2+ 42 VAL MGY 5.50 (# 1468:25 Unique 2.27, 5.09 A)
&rst
ixpk= 1468, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 199, 200,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 11 ASN HD2- 42 VAL MGY 5.50 (# 1469:25 Unique 2.27, 5.09 A)
&rst
ixpk= 1469, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 199, 200,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 50 MET HG+ 42 VAL MGY 5.50 (# 1470:25 Unique 5.35, 7.26 A)
&rst
ixpk= 1470, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 750, 751,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 30 ILE HG1- 32 VAL MGX 4.50 (# 1471:25 Unique 3.05, 6.30 A)
&rst
ixpk= 1471, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 468, 469,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 4 VAL MGX 32 VAL MGX 5.50 (# 1472:25 Unique 2.59, 5.37 A)
&rst
ixpk= 1472, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 71, 72, 73, 75, 76, 77,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 43 HIS HN 43 HIS HA 3.50 (# 1473:25 Unique 2.13, 2.85 A)
&rst
ixpk= 1473, nxpk= 25, iat= 642, 644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 PRO HA 43 HIS HA 5.50 (# 1475:25 Unique 4.23, 4.40 A)
&rst
ixpk= 1475, nxpk= 25, iat= 669, 644, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 PRO HD+ 43 HIS HA 2.80 (# 1476:25 Unique 2.24, 2.47 A)
&rst
ixpk= 1476, nxpk= 25, iat= -1, 644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 660, 661,
&end
#
# 43 HIS HB+ 43 HIS HA 3.50 (# 1477:25 Unique 2.37, 2.79 A)
&rst
ixpk= 1477, nxpk= 25, iat= -1, 644, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 646, 647,
&end
#
# 44 PRO HD- 43 HIS HA 2.80 (# 1478:25 Unique 2.24, 2.47 A)
&rst
ixpk= 1478, nxpk= 25, iat= -1, 644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 660, 661,
&end
#
# 0 AMB 25-2:1479 43 HIS HA 4.50 (# 1479:25 Single Ambig)
&rst
ixpk= 1479, nxpk= 25, iat= -1, 644, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 663, 664, 666, 667,
&end
#
# 0 AMB 25-2:1480 43 HIS HA 4.50 (# 1480:25 Single Ambig)
&rst
ixpk= 1480, nxpk= 25, iat= -1, 644, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 691, 692, 693, 609, 610, 265, 266,
&end
#
# 0 AMB 25-2:1481 43 HIS HA 5.50 (# 1481:25 Single Ambig)
&rst
ixpk= 1481, nxpk= 25, iat= -1, 644, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 632, 633, 634, 636, 637, 638, 710, 711, 712,
&end
#
# 46 ALA MB 43 HIS HB- 3.50 (# 1482:25 Unique 2.28, 4.00 A)
&rst
ixpk= 1482, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 691, 692, 693,
igr2= 646, 647,
&end
#
# 50 MET HG- 17 MET HG+ 4.50 (# 1483:25 Unique 2.17, 3.58 A)
&rst
ixpk= 1483, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 750, 751,
igr2= 285, 286,
&end
#
# 44 PRO HD- 43 HIS HB+ 5.50 (# 1484:25 Unique 2.14, 4.16 A)
&rst
ixpk= 1484, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 660, 661,
igr2= 646, 647,
&end
#
# 44 PRO HD- 43 HIS HB- 5.50 (# 1485:25 Unique 2.14, 4.16 A)
&rst
ixpk= 1485, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 660, 661,
igr2= 646, 647,
&end
#
# 44 PRO HD+ 43 HIS HB+ 3.50 (# 1487:25 Unique 2.14, 4.16 A)
&rst
ixpk= 1487, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 660, 661,
igr2= 646, 647,
&end
#
# 44 PRO HD+ 43 HIS HB- 4.50 (# 1488:25 Unique 2.14, 4.16 A)
&rst
ixpk= 1488, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 660, 661,
igr2= 646, 647,
&end
#
# 43 HIS HA 43 HIS HB+ 3.50 (# 1489:25 Unique 2.37, 2.79 A)
&rst
ixpk= 1489, nxpk= 25, iat= 644, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 646, 647,
&end
#
# 43 HIS HA 43 HIS HB- 3.50 (# 1490:25 Unique 2.37, 2.79 A)
&rst
ixpk= 1490, nxpk= 25, iat= 644, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 646, 647,
&end
#
# 0 AMB 25-2:1493 0 AMB 25-1:1493 4.50 (# 1493:25 Double Ambig)
&rst
ixpk= 1493, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1666,1670, 273, 274, 655,
igr2= 646, 647, 646, 647, 646, 647,
&end
#
# 0 AMB 25-2:1494 43 HIS HB- 4.50 (# 1494:25 Single Ambig)
&rst
ixpk= 1494, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1666,1670, 273, 274, 655,
igr2= 646, 647,
&end
#
# 46 ALA HN 43 HIS HB+ 5.50 (# 1495:25 Unique 2.38, 3.58 A)
&rst
ixpk= 1495, nxpk= 25, iat= 687, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 646, 647,
&end
#
# 46 ALA HN 43 HIS HB- 4.50 (# 1496:25 Unique 2.38, 3.58 A)
&rst
ixpk= 1496, nxpk= 25, iat= 687, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 646, 647,
&end
#
# 43 HIS HN 43 HIS HB+ 3.50 (# 1497:25 Unique 2.15, 2.77 A)
&rst
ixpk= 1497, nxpk= 25, iat= 642, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 646, 647,
&end
#
# 43 HIS HN 43 HIS HB- 3.50 (# 1498:25 Unique 2.15, 2.77 A)
&rst
ixpk= 1498, nxpk= 25, iat= 642, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 646, 647,
&end
#
# 49 MET HN 45 THR HA 5.50 (# 1499:25 Unique 4.10, 4.28 A)
&rst
ixpk= 1499, nxpk= 25, iat= 726, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1501 45 THR HA 3.50 (# 1501:25 Single Ambig)
&rst
ixpk= 1501, nxpk= 25, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 733, 734, 666, 667,
&end
#
# 0 AMB 25-2:1502 45 THR HA 3.50 (# 1502:25 Single Ambig)
&rst
ixpk= 1502, nxpk= 25, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 737, 738, 739, 666, 667, 663, 664, 701,
&end
#
# 46 ALA MB 45 THR HA 5.50 (# 1503:25 Unique 5.85, 6.17 A)
&rst
ixpk= 1503, nxpk= 25, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 691, 692, 693,
&end
#
# 48 ALA MB 45 THR HA 2.80 (# 1504:25 Unique 2.38, 3.46 A)
&rst
ixpk= 1504, nxpk= 25, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 720, 721, 722,
&end
#
# 0 AMB 25-2:1505 45 THR HA 5.50 (# 1505:25 Single Ambig)
&rst
ixpk= 1505, nxpk= 25, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1615,1616,1617,1619,1620,1621, 710, 711, 712,
&end
#
# 45 THR MG2 45 THR HA 2.80 (# 1506:25 Unique 2.40, 3.06 A)
&rst
ixpk= 1506, nxpk= 25, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 679, 680, 681,
&end
#
# 45 THR MG2 45 THR HB 2.80 (# 1507:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1507, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 679, 680, 681,
&end
#
# 0 AMB 25-2:1508 45 THR HB 5.50 (# 1508:25 Single Ambig)
&rst
ixpk= 1508, nxpk= 25, iat= -1, 677, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 646, 647,1660,1661,
&end
#
# 45 THR HA 45 THR HB 2.80 (# 1509:25 Unique 2.80, 2.96 A)
&rst
ixpk= 1509, nxpk= 25, iat= 675, 677, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 46 ALA HN 45 THR HB 5.50 (# 1512:25 Unique 2.75, 3.06 A)
&rst
ixpk= 1512, nxpk= 25, iat= 687, 677, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 THR HN 45 THR HB 3.50 (# 1513:25 Unique 2.51, 2.78 A)
&rst
ixpk= 1513, nxpk= 25, iat= 673, 677, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 MET HN 45 THR MG2 5.50 (# 1514:25 Unique 4.14, 5.29 A)
&rst
ixpk= 1514, nxpk= 25, iat= 726, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 679, 680, 681,
&end
#
# 45 THR HN 45 THR MG2 5.50 (# 1515:25 Unique 3.40, 4.40 A)
&rst
ixpk= 1515, nxpk= 25, iat= 673, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 679, 680, 681,
&end
#
# 0 AMB 25-2:1516 45 THR MG2 5.50 (# 1516:25 Single Ambig)
&rst
ixpk= 1516, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 687, 716,
igr2= 679, 680, 681,
&end
#
# 112 PHE HE 45 THR MG2 4.50 (# 1517:25 Unique 3.00, 4.59 A)
&rst
ixpk= 1517, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1666,1670,
igr2= 679, 680, 681,
&end
#
# 112 PHE HD 45 THR MG2 3.50 (# 1518:25 Unique 3.08, 5.20 A)
&rst
ixpk= 1518, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1664,1672,
igr2= 679, 680, 681,
&end
#
# 109 LEU HA 45 THR MG2 5.50 (# 1520:25 Unique 3.95, 5.03 A)
&rst
ixpk= 1520, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 679, 680, 681,
&end
#
# 45 THR HA 45 THR MG2 2.80 (# 1521:25 Unique 2.40, 3.06 A)
&rst
ixpk= 1521, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 679, 680, 681,
&end
#
# 45 THR HB 45 THR MG2 2.80 (# 1522:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1522, nxpk= 25, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 679, 680, 681,
&end
#
# 0 AMB 25-2:1523 45 THR MG2 5.50 (# 1523:25 Single Ambig)
&rst
ixpk= 1523, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1660,1661, 646, 647,
igr2= 679, 680, 681,
&end
#
# 112 PHE HB- 45 THR MG2 5.50 (# 1524:25 Unique 4.64, 5.83 A)
&rst
ixpk= 1524, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1660,1661,
igr2= 679, 680, 681,
&end
#
# 49 MET HG+ 45 THR MG2 3.50 (# 1525:25 Unique 2.39, 4.05 A)
&rst
ixpk= 1525, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 733, 734,
igr2= 679, 680, 681,
&end
#
# 49 MET ME 45 THR MG2 3.50 (# 1526:25 Unique 2.40, 4.12 A)
&rst
ixpk= 1526, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 737, 738, 739,
igr2= 679, 680, 681,
&end
#
# 46 ALA MB 45 THR MG2 5.50 (# 1527:25 Unique 5.52, 7.18 A)
&rst
ixpk= 1527, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 691, 692, 693,
igr2= 679, 680, 681,
&end
#
# 0 AMB 25-2:1528 45 THR MG2 3.50 (# 1528:25 Single Ambig)
&rst
ixpk= 1528, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 720, 721, 722,1610,1611,
igr2= 679, 680, 681,
&end
#
# 109 LEU MDX 45 THR MG2 3.50 (# 1530:25 Unique 2.56, 4.95 A)
&rst
ixpk= 1530, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1615,1616,1617,1619,1620,1621,
igr2= 679, 680, 681,
&end
#
# 46 ALA MB 46 ALA HA 2.80 (# 1531:25 Unique 2.46, 2.73 A)
&rst
ixpk= 1531, nxpk= 25, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 691, 692, 693,
&end
#
# 0 AMB 25-2:1532 46 ALA HA 5.50 (# 1532:25 Single Ambig)
&rst
ixpk= 1532, nxpk= 25, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 679, 680, 681,1552,1553,
&end
#
# 0 AMB 25-2:1533 46 ALA HA 5.50 (# 1533:25 Single Ambig)
&rst
ixpk= 1533, nxpk= 25, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 857, 858, 859, 707, 708,
&end
#
# 0 AMB 25-2:1534 46 ALA HA 5.50 (# 1534:25 Single Ambig)
&rst
ixpk= 1534, nxpk= 25, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 737, 738, 739, 701,
&end
#
# 0 AMB 25-2:1535 46 ALA HA 4.50 (# 1535:25 Single Ambig)
&rst
ixpk= 1535, nxpk= 25, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 730, 731, 750, 751,
&end
#
# 112 PHE HE 46 ALA HA 3.50 (# 1537:25 Unique 2.35, 4.46 A)
&rst
ixpk= 1537, nxpk= 25, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1666,1670,
&end
#
# 49 MET HN 46 ALA HA 4.50 (# 1538:25 Unique 2.95, 3.07 A)
&rst
ixpk= 1538, nxpk= 25, iat= 726, 689, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 HIS HN 46 ALA MB 5.50 (# 1540:25 Unique 2.98, 3.92 A)
&rst
ixpk= 1540, nxpk= 25, iat= 642, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 691, 692, 693,
&end
#
# 49 MET HN 46 ALA MB 5.50 (# 1541:25 Unique 4.96, 5.34 A)
&rst
ixpk= 1541, nxpk= 25, iat= 726, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 691, 692, 693,
&end
#
# 17 MET HN 46 ALA MB 5.50 (# 1542:25 Unique 4.88, 6.43 A)
&rst
ixpk= 1542, nxpk= 25, iat= 278, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 691, 692, 693,
&end
#
# 0 AMB 25-2:1544 46 ALA MB 5.50 (# 1544:25 Single Ambig)
&rst
ixpk= 1544, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 673, 743,
igr2= 691, 692, 693,
&end
#
# 0 AMB 25-2:1545 46 ALA MB 3.50 (# 1545:25 Single Ambig)
&rst
ixpk= 1545, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1666,1670, 655,
igr2= 691, 692, 693,
&end
#
# 16 GLN HE2+ 46 ALA MB 4.50 (# 1546:25 Unique 2.97, 4.50 A)
&rst
ixpk= 1546, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 273, 274,
igr2= 691, 692, 693,
&end
#
# 46 ALA HA 46 ALA MB 2.80 (# 1548:25 Unique 2.46, 2.73 A)
&rst
ixpk= 1548, nxpk= 25, iat= 689, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 691, 692, 693,
&end
#
# 105 ASP HB- 46 ALA MB 5.50 (# 1550:25 Unique 5.49, 7.53 A)
&rst
ixpk= 1550, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1563,1564,
igr2= 691, 692, 693,
&end
#
# 0 AMB 25-2:1551 46 ALA MB 4.50 (# 1551:25 Single Ambig)
&rst
ixpk= 1551, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 285, 286, 282, 283,
igr2= 691, 692, 693,
&end
#
# 0 AMB 25-2:1552 46 ALA MB 4.50 (# 1552:25 Single Ambig)
&rst
ixpk= 1552, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1549,1550, 265, 266,1552,1553,
igr2= 691, 692, 693,
&end
#
# 104 PRO HB+ 46 ALA MB 5.50 (# 1553:25 Unique 3.36, 6.64 A)
&rst
ixpk= 1553, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1552,1553,
igr2= 691, 692, 693,
&end
#
# 50 MET HN 47 ILE HA 5.50 (# 1554:25 Unique 3.26, 3.39 A)
&rst
ixpk= 1554, nxpk= 25, iat= 743, 699, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 ILE HA 127 ILE HA 5.50 (# 1556:25 Unique 5.67, 5.72 A)
&rst
ixpk= 1556, nxpk= 25, iat=1972,1921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1557 0 AMB 25-1:1557 4.50 (# 1557:25 Double Ambig)
&rst
ixpk= 1557, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1940, 414, 415, 669,
igr2=1921, 699,
&end
#
# 0 AMB 25-2:1558 0 AMB 25-1:1558 3.50 (# 1558:25 Double Ambig)
&rst
ixpk= 1558, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1993,1994, 689, 865,
igr2=1921, 699,
&end
#
# 2 LYS HE+ 127 ILE HA 5.50 (# 1559:25 Unique 5.74, 6.29 A)
&rst
ixpk= 1559, nxpk= 25, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 34, 35,
&end
#
# 0 AMB 25-2:1561 0 AMB 25-1:1561 2.80 (# 1561:25 Double Ambig)
&rst
ixpk= 1561, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=1929,1930, 747, 748,1923,
igr2=1921, 699,
&end
#
# 0 AMB 25-2:1562 47 ILE HA 4.50 (# 1562:25 Single Ambig)
&rst
ixpk= 1562, nxpk= 25, iat= -1, 699, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 767, 768, 764, 765, 848,
&end
#
# 50 MET HB+ 47 ILE HA 4.50 (# 1563:25 Unique 2.39, 3.51 A)
&rst
ixpk= 1563, nxpk= 25, iat= -1, 699, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 747, 748,
&end
#
# 130 ILE HG1+ 127 ILE HA 3.50 (# 1564:25 Unique 2.10, 2.65 A)
&rst
ixpk= 1564, nxpk= 25, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1980,1981,
&end
#
# 47 ILE HG1- 47 ILE HB 4.50 (# 1565:25 Unique 2.55, 2.82 A)
&rst
ixpk= 1565, nxpk= 25, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 707, 708,
&end
#
# 48 ALA MB 47 ILE HB 4.50 (# 1566:25 Unique 4.04, 4.95 A)
&rst
ixpk= 1566, nxpk= 25, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 720, 721, 722,
&end
#
# 46 ALA MB 47 ILE HB 4.50 (# 1567:25 Unique 4.75, 5.69 A)
&rst
ixpk= 1567, nxpk= 25, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 691, 692, 693,
&end
#
# 127 ILE HA 127 ILE HB 4.50 (# 1568:25 Unique 3.04, 3.05 A)
&rst
ixpk= 1568, nxpk= 25, iat=1921,1923, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 124 GLU HA 127 ILE HB 3.50 (# 1569:25 Unique 2.40, 2.60 A)
&rst
ixpk= 1569, nxpk= 25, iat=1873,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1570 47 ILE HB 3.50 (# 1570:25 Single Ambig)
&rst
ixpk= 1570, nxpk= 25, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 669, 718,
&end
#
# 47 ILE HN 47 ILE HG1- 4.50 (# 1571:25 Unique 2.09, 2.91 A)
&rst
ixpk= 1571, nxpk= 25, iat= 697, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 707, 708,
&end
#
# 58 SER HA 47 ILE HG1- 5.50 (# 1572:25 Unique 2.19, 3.14 A)
&rst
ixpk= 1572, nxpk= 25, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 707, 708,
&end
#
# 47 ILE HA 47 ILE HG1- 4.50 (# 1573:25 Unique 2.74, 2.85 A)
&rst
ixpk= 1573, nxpk= 25, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 707, 708,
&end
#
# 47 ILE HB 47 ILE HG1- 3.50 (# 1574:25 Unique 2.55, 2.82 A)
&rst
ixpk= 1574, nxpk= 25, iat= 701, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 707, 708,
&end
#
# 46 ALA MB 47 ILE HG1- 4.50 (# 1575:25 Unique 3.24, 5.17 A)
&rst
ixpk= 1575, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 691, 692, 693,
igr2= 707, 708,
&end
#
# 57 ILE HG1- 47 ILE HG1- 3.50 (# 1576:25 Unique 2.14, 3.27 A)
&rst
ixpk= 1576, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 854, 855,
igr2= 707, 708,
&end
#
# 0 AMB 25-2:1577 47 ILE HG1- 2.80 (# 1577:25 Single Ambig)
&rst
ixpk= 1577, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 632, 633, 634, 636, 637, 638, 710, 711, 712,
igr2= 707, 708,
&end
#
# 47 ILE HG1- 47 ILE QD1 2.80 (# 1578:25 Unique 2.41, 2.66 A)
&rst
ixpk= 1578, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 707, 708,
igr2= 710, 711, 712,
&end
#
# 47 ILE HB 47 ILE QD1 2.80 (# 1579:25 Unique 2.39, 2.99 A)
&rst
ixpk= 1579, nxpk= 25, iat= 701, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 710, 711, 712,
&end
#
# 44 PRO HB+ 47 ILE QD1 4.50 (# 1580:25 Unique 4.07, 5.64 A)
&rst
ixpk= 1580, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 666, 667,
igr2= 710, 711, 712,
&end
#
# 47 ILE HA 47 ILE QD1 4.50 (# 1582:25 Unique 4.64, 4.79 A)
&rst
ixpk= 1582, nxpk= 25, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 710, 711, 712,
&end
#
# 58 SER HA 47 ILE QD1 2.80 (# 1583:25 Unique 2.31, 3.06 A)
&rst
ixpk= 1583, nxpk= 25, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 710, 711, 712,
&end
#
# 47 ILE HN 47 ILE QD1 3.50 (# 1584:25 Unique 3.23, 4.06 A)
&rst
ixpk= 1584, nxpk= 25, iat= 697, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 710, 711, 712,
&end
#
# 0 AMB 25-2:1586 0 AMB 25-1:1586 2.80 (# 1586:25 Double Ambig)
&rst
ixpk= 1586, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1993,1994, 865,
igr2=1925,1926,1927, 703, 704, 705,
&end
#
# 124 GLU HG+ 127 ILE QG2 5.50 (# 1587:25 Unique 4.79, 6.64 A)
&rst
ixpk= 1587, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1878,1879,
igr2=1925,1926,1927,
&end
#
# 130 ILE HB 130 ILE QG2 2.80 (# 1588:25 Unique 2.36, 2.65 A)
&rst
ixpk= 1588, nxpk= 25, iat=1974, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1976,1977,1978,
&end
#
# 0 AMB 25-2:1589 127 ILE QG2 2.80 (# 1589:25 Single Ambig)
&rst
ixpk= 1589, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1923,1929,1930,
igr2=1925,1926,1927,
&end
#
# 0 AMB 25-2:1590 0 AMB 25-1:1590 2.80 (# 1590:25 Double Ambig)
&rst
ixpk= 1590, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1980,1981, 720, 721, 722,
igr2=1976,1977,1978,1925,1926,1927, 703, 704, 705,
&end
#
# 0 AMB 25-2:1591 0 AMB 25-1:1591 2.80 (# 1591:25 Double Ambig)
&rst
ixpk= 1591, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1980,1981,1980,1981,
igr2=1976,1977,1978,1925,1926,1927,
&end
#
# 95 ILE HG1- 95 ILE QG2 2.80 (# 1592:25 Unique 2.49, 3.51 A)
&rst
ixpk= 1592, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1402,1403,
igr2=1398,1399,1400,
&end
#
# 0 AMB 25-2:1594 0 AMB 25-1:1594 3.50 (# 1594:25 Double Ambig)
&rst
ixpk= 1594, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 764, 765, 767, 768,1033,
igr2= 718,1043,
&end
#
# 71 ASP HB- 71 ASP HA 2.80 (# 1595:25 Unique 2.43, 2.75 A)
&rst
ixpk= 1595, nxpk= 25, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1045,1046,
&end
#
# 71 ASP HB+ 71 ASP HA 2.80 (# 1596:25 Unique 2.43, 2.75 A)
&rst
ixpk= 1596, nxpk= 25, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1045,1046,
&end
#
# 0 AMB 25-2:1597 71 ASP HA 4.50 (# 1597:25 Single Ambig)
&rst
ixpk= 1597, nxpk= 25, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1069,1070,1057,1058,
&end
#
# 72 ASP HB+ 72 ASP HA 2.80 (# 1598:25 Unique 2.50, 2.77 A)
&rst
ixpk= 1598, nxpk= 25, iat= -1,1055, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1057,1058,
&end
#
# 72 ASP HN 71 ASP HA 3.50 (# 1601:25 Unique 3.50, 3.52 A)
&rst
ixpk= 1601, nxpk= 25, iat=1053,1043, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 MET HN 48 ALA HA 4.50 (# 1603:25 Unique 3.46, 3.53 A)
&rst
ixpk= 1603, nxpk= 25, iat= 726, 718, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 GLU HN 48 ALA MB 5.50 (# 1604:25 Unique 5.53, 5.75 A)
&rst
ixpk= 1604, nxpk= 25, iat= 760, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 720, 721, 722,
&end
#
# 45 THR HA 48 ALA MB 2.80 (# 1606:25 Unique 2.38, 3.46 A)
&rst
ixpk= 1606, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 720, 721, 722,
&end
#
# 45 THR HB 48 ALA MB 5.50 (# 1607:25 Unique 4.59, 6.03 A)
&rst
ixpk= 1607, nxpk= 25, iat= 677, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 720, 721, 722,
&end
#
# 52 GLU HG+ 48 ALA MB 5.50 (# 1609:25 Unique 5.26, 6.73 A)
&rst
ixpk= 1609, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 782, 783,
igr2= 720, 721, 722,
&end
#
# 0 AMB 25-2:1610 48 ALA MB 4.50 (# 1610:25 Single Ambig)
&rst
ixpk= 1610, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 764, 765, 767, 768,
igr2= 720, 721, 722,
&end
#
# 49 MET ME 48 ALA MB 2.80 (# 1611:25 Unique 2.33, 3.80 A)
&rst
ixpk= 1611, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 737, 738, 739,
igr2= 720, 721, 722,
&end
#
# 47 ILE QG2 48 ALA MB 4.50 (# 1612:25 Unique 4.25, 6.06 A)
&rst
ixpk= 1612, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 703, 704, 705,
igr2= 720, 721, 722,
&end
#
# 45 THR MG2 48 ALA MB 3.50 (# 1613:25 Unique 3.07, 5.25 A)
&rst
ixpk= 1613, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 679, 680, 681,
igr2= 720, 721, 722,
&end
#
# 50 MET HN 49 MET HA 4.50 (# 1615:25 Unique 3.34, 3.43 A)
&rst
ixpk= 1615, nxpk= 25, iat= 743, 728, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 GLU HN 49 MET HA 4.50 (# 1616:25 Unique 3.86, 4.04 A)
&rst
ixpk= 1616, nxpk= 25, iat= 775, 728, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 GLU HG+ 49 MET HA 3.50 (# 1617:25 Unique 2.32, 2.93 A)
&rst
ixpk= 1617, nxpk= 25, iat= -1, 728, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 782, 783,
&end
#
# 49 MET HB+ 49 MET HA 2.80 (# 1618:25 Unique 2.43, 2.76 A)
&rst
ixpk= 1618, nxpk= 25, iat= -1, 728, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 730, 731,
&end
#
# 49 MET ME 49 MET HA 2.80 (# 1619:25 Unique 2.90, 3.74 A)
&rst
ixpk= 1619, nxpk= 25, iat= -1, 728, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 737, 738, 739,
&end
#
# 0 AMB 25-2:1620 0 AMB 25-1:1620 2.80 (# 1620:25 Double Ambig)
&rst
ixpk= 1620, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 553, 730, 731,
igr2= 548, 728,
&end
#
# 116 ARG HD- 49 MET HB- 4.50 (# 1623:25 Unique 3.68, 5.41 A)
&rst
ixpk= 1623, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1740,1741,
igr2= 730, 731,
&end
#
# 116 ARG HD+ 49 MET HB- 5.50 (# 1624:25 Unique 3.68, 5.41 A)
&rst
ixpk= 1624, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1740,1741,
igr2= 730, 731,
&end
#
# 0 AMB 25-2:1625 49 MET HB- 5.50 (# 1625:25 Single Ambig)
&rst
ixpk= 1625, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 689,1678,
igr2= 730, 731,
&end
#
# 0 AMB 25-2:1626 0 AMB 25-1:1626 4.50 (# 1626:25 Double Ambig)
&rst
ixpk= 1626, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 689,1678,
igr2= 730, 731, 730, 731,
&end
#
# 49 MET HA 49 MET HB+ 3.50 (# 1627:25 Unique 2.43, 2.76 A)
&rst
ixpk= 1627, nxpk= 25, iat= 728, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 730, 731,
&end
#
# 49 MET HA 49 MET HB- 3.50 (# 1628:25 Unique 2.43, 2.76 A)
&rst
ixpk= 1628, nxpk= 25, iat= 728, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 730, 731,
&end
#
# 50 MET HN 49 MET HB+ 4.50 (# 1629:25 Unique 3.06, 3.81 A)
&rst
ixpk= 1629, nxpk= 25, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 730, 731,
&end
#
# 50 MET HN 49 MET HB- 5.50 (# 1630:25 Unique 3.06, 3.81 A)
&rst
ixpk= 1630, nxpk= 25, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 730, 731,
&end
#
# 49 MET HN 49 MET HB+ 3.50 (# 1631:25 Unique 2.43, 3.06 A)
&rst
ixpk= 1631, nxpk= 25, iat= 726, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 730, 731,
&end
#
# 49 MET HN 49 MET HB- 3.50 (# 1632:25 Unique 2.43, 3.06 A)
&rst
ixpk= 1632, nxpk= 25, iat= 726, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 730, 731,
&end
#
# 118 GLN HE2- 118 GLN HG- 4.50 (# 1634:25 Unique 2.21, 3.28 A)
&rst
ixpk= 1634, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1773,1774,
igr2=1768,1769,
&end
#
# 49 MET HA 49 MET HG+ 3.50 (# 1635:25 Unique 3.00, 3.47 A)
&rst
ixpk= 1635, nxpk= 25, iat= 728, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 733, 734,
&end
#
# 48 ALA HA 49 MET HG+ 5.50 (# 1636:25 Unique 5.22, 6.21 A)
&rst
ixpk= 1636, nxpk= 25, iat= 718, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 733, 734,
&end
#
# 0 AMB 25-2:1637 0 AMB 25-1:1637 3.50 (# 1637:25 Double Ambig)
&rst
ixpk= 1637, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1716, 689,1678,
igr2=1768,1769, 733, 734, 733, 734,
&end
#
# 49 MET HB- 49 MET HG+ 2.80 (# 1638:25 Unique 2.32, 2.59 A)
&rst
ixpk= 1638, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 730, 731,
igr2= 733, 734,
&end
#
# 50 MET HB- 50 MET HA 3.50 (# 1640:25 Unique 2.34, 2.73 A)
&rst
ixpk= 1640, nxpk= 25, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 747, 748,
&end
#
# 50 MET HB+ 50 MET HA 3.50 (# 1641:25 Unique 2.34, 2.73 A)
&rst
ixpk= 1641, nxpk= 25, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 747, 748,
&end
#
# 0 AMB 25-2:1642 50 MET HA 3.50 (# 1642:25 Single Ambig)
&rst
ixpk= 1642, nxpk= 25, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 750, 751, 779, 780,1737,1738,
&end
#
# 50 MET HG- 50 MET HA 3.50 (# 1643:25 Unique 2.62, 3.58 A)
&rst
ixpk= 1643, nxpk= 25, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 750, 751,
&end
#
# 0 AMB 25-2:1644 50 MET HA 4.50 (# 1644:25 Single Ambig)
&rst
ixpk= 1644, nxpk= 25, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1740,1741, 794,
&end
#
# 52 GLU HN 50 MET HA 5.50 (# 1646:25 Unique 3.43, 3.82 A)
&rst
ixpk= 1646, nxpk= 25, iat= 775, 745, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1647 50 MET HA 5.50 (# 1647:25 Single Ambig)
&rst
ixpk= 1647, nxpk= 25, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 743, 813,
&end
#
# 51 GLU HN 50 MET HA 3.50 (# 1648:25 Unique 3.52, 3.55 A)
&rst
ixpk= 1648, nxpk= 25, iat= 760, 745, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 MET HN 50 MET HB+ 2.80 (# 1650:25 Unique 2.34, 3.15 A)
&rst
ixpk= 1650, nxpk= 25, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 747, 748,
&end
#
# 50 MET HA 50 MET HB- 3.50 (# 1651:25 Unique 2.34, 2.73 A)
&rst
ixpk= 1651, nxpk= 25, iat= 745, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 747, 748,
&end
#
# 0 AMB 25-2:1652 0 AMB 25-1:1652 4.50 (# 1652:25 Double Ambig)
&rst
ixpk= 1652, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1888,1362,
igr2=1875,1876,1381,1382,
&end
#
# 0 AMB 25-2:1653 0 AMB 25-1:1653 3.50 (# 1653:25 Double Ambig)
&rst
ixpk= 1653, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 850, 851, 852,1104,1105,1106,1108,1109,1110,1932,
1933,1934,
igr2= 747, 748,1381,1382,1875,1876,
&end
#
# 57 ILE QD1 50 MET HB+ 3.50 (# 1654:25 Unique 2.37, 3.96 A)
&rst
ixpk= 1654, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 857, 858, 859,
igr2= 747, 748,
&end
#
# 57 ILE QD1 50 MET HB- 4.50 (# 1655:25 Unique 2.37, 3.96 A)
&rst
ixpk= 1655, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 857, 858, 859,
igr2= 747, 748,
&end
#
# 55 ILE QG2 50 MET HB+ 4.50 (# 1656:25 Unique 2.35, 3.60 A)
&rst
ixpk= 1656, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 819, 820, 821,
igr2= 747, 748,
&end
#
# 55 ILE QG2 50 MET HB- 3.50 (# 1657:25 Unique 2.35, 3.60 A)
&rst
ixpk= 1657, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 819, 820, 821,
igr2= 747, 748,
&end
#
# 50 MET HN 50 MET HG+ 4.50 (# 1658:25 Unique 2.92, 3.74 A)
&rst
ixpk= 1658, nxpk= 25, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 750, 751,
&end
#
# 100 GLN HE2+ 100 GLN HG+ 5.50 (# 1660:25 Unique 2.23, 3.32 A)
&rst
ixpk= 1660, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1494,1495,
igr2=1489,1490,
&end
#
# 50 MET HA 50 MET HG+ 5.50 (# 1661:25 Unique 2.62, 3.58 A)
&rst
ixpk= 1661, nxpk= 25, iat= 745, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 750, 751,
&end
#
# 57 ILE QD1 50 MET HG+ 3.50 (# 1664:25 Unique 2.23, 3.20 A)
&rst
ixpk= 1664, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 857, 858, 859,
igr2= 750, 751,
&end
#
# 0 AMB 25-2:1665 51 GLU HA 2.80 (# 1665:25 Single Ambig)
&rst
ixpk= 1665, nxpk= 25, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 767, 768, 764, 765,
&end
#
# 48 ALA MB 51 GLU HB+ 5.50 (# 1667:25 Unique 4.74, 5.88 A)
&rst
ixpk= 1667, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 720, 721, 722,
igr2= 764, 765,
&end
#
# 0 AMB 25-2:1668 0 AMB 25-1:1668 2.80 (# 1668:25 Double Ambig)
&rst
ixpk= 1668, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1379, 762,
igr2=1381,1382, 764, 765,
&end
#
# 51 GLU HA 51 GLU HB+ 2.80 (# 1669:25 Unique 2.41, 2.76 A)
&rst
ixpk= 1669, nxpk= 25, iat= 762, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 764, 765,
&end
#
# 52 GLU HG+ 52 GLU HA 3.50 (# 1673:25 Unique 2.71, 3.56 A)
&rst
ixpk= 1673, nxpk= 25, iat= -1, 777, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 782, 783,
&end
#
# 52 GLU HG- 52 GLU HA 3.50 (# 1674:25 Unique 2.71, 3.56 A)
&rst
ixpk= 1674, nxpk= 25, iat= -1, 777, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 782, 783,
&end
#
# 0 AMB 25-2:1675 23 LYS HA 5.50 (# 1675:25 Single Ambig)
&rst
ixpk= 1675, nxpk= 25, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 493, 494, 495, 497, 498, 499, 468, 469,
&end
#
# 116 ARG HE 52 GLU HB+ 5.50 (# 1676:25 Unique 3.27, 4.86 A)
&rst
ixpk= 1676, nxpk= 25, iat=1743, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 779, 780,
&end
#
# 53 VAL HN 52 GLU HB- 4.50 (# 1677:25 Unique 2.50, 3.62 A)
&rst
ixpk= 1677, nxpk= 25, iat= 790, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 779, 780,
&end
#
# 53 VAL HN 52 GLU HB+ 3.50 (# 1678:25 Unique 2.50, 3.62 A)
&rst
ixpk= 1678, nxpk= 25, iat= 790, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 779, 780,
&end
#
# 0 AMB 25-2:1681 111 VAL HB 4.50 (# 1681:25 Single Ambig)
&rst
ixpk= 1681, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1599,1600,1704,
&end
#
# 49 MET HA 52 GLU HB+ 5.50 (# 1682:25 Unique 4.13, 4.72 A)
&rst
ixpk= 1682, nxpk= 25, iat= 728, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 779, 780,
&end
#
# 112 PHE HA 111 VAL HB 4.50 (# 1683:25 Unique 4.26, 4.41 A)
&rst
ixpk= 1683, nxpk= 25, iat=1658,1644, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 GLU HG+ 52 GLU HB- 2.80 (# 1684:25 Unique 2.30, 2.69 A)
&rst
ixpk= 1684, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 782, 783,
igr2= 779, 780,
&end
#
# 52 GLU HG+ 52 GLU HB+ 2.80 (# 1685:25 Unique 2.30, 2.69 A)
&rst
ixpk= 1685, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 782, 783,
igr2= 779, 780,
&end
#
# 116 ARG HE 52 GLU HG+ 5.50 (# 1686:25 Unique 3.06, 3.99 A)
&rst
ixpk= 1686, nxpk= 25, iat=1743, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 782, 783,
&end
#
# 53 VAL HN 52 GLU HG+ 5.50 (# 1687:25 Unique 2.53, 3.72 A)
&rst
ixpk= 1687, nxpk= 25, iat= 790, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 782, 783,
&end
#
# 49 MET HA 52 GLU HG+ 3.50 (# 1688:25 Unique 2.32, 2.93 A)
&rst
ixpk= 1688, nxpk= 25, iat= 728, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 782, 783,
&end
#
# 116 ARG HE 52 GLU HG- 5.50 (# 1689:25 Unique 3.06, 3.99 A)
&rst
ixpk= 1689, nxpk= 25, iat=1743, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 782, 783,
&end
#
# 49 MET ME 52 GLU HG+ 4.50 (# 1692:25 Unique 4.60, 6.07 A)
&rst
ixpk= 1692, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 737, 738, 739,
igr2= 782, 783,
&end
#
# 0 AMB 25-2:1693 0 AMB 25-1:1693 5.50 (# 1693:25 Double Ambig)
&rst
ixpk= 1693, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1683,1684, 720, 721, 722,
igr2= 782, 783, 782, 783,
&end
#
# 49 MET HB- 52 GLU HG+ 5.50 (# 1694:25 Unique 3.91, 5.04 A)
&rst
ixpk= 1694, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 730, 731,
igr2= 782, 783,
&end
#
# 0 AMB 25-2:1695 52 GLU HG- 5.50 (# 1695:25 Single Ambig)
&rst
ixpk= 1695, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1683,1684, 720, 721, 722,
igr2= 782, 783,
&end
#
# 53 VAL MGY 52 GLU HG+ 5.50 (# 1696:25 Unique 2.45, 5.71 A)
&rst
ixpk= 1696, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 796, 797, 798, 800, 801, 802,
igr2= 782, 783,
&end
#
# 54 GLY HN 53 VAL HB 5.50 (# 1701:25 Unique 3.10, 4.09 A)
&rst
ixpk= 1701, nxpk= 25, iat= 806, 794, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HE 53 VAL HB 5.50 (# 1702:25 Unique 3.45, 5.53 A)
&rst
ixpk= 1702, nxpk= 25, iat= -1, 794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 337, 341,
&end
#
# 53 VAL HN 53 VAL HB 3.50 (# 1703:25 Unique 2.39, 3.29 A)
&rst
ixpk= 1703, nxpk= 25, iat= 790, 794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 ILE HG1+ 53 VAL HB 5.50 (# 1705:25 Unique 2.21, 3.90 A)
&rst
ixpk= 1705, nxpk= 25, iat= -1, 794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 823, 824,
&end
#
# 53 VAL MGY 53 VAL HB 2.80 (# 1706:25 Unique 2.36, 2.64 A)
&rst
ixpk= 1706, nxpk= 25, iat= -1, 794, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 796, 797, 798, 800, 801, 802,
&end
#
# 17 MET ME 53 VAL HB 5.50 (# 1707:25 Unique 3.74, 6.11 A)
&rst
ixpk= 1707, nxpk= 25, iat= -1, 794, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 289, 290, 291,
&end
#
# 116 ARG HE 53 VAL MGY 5.50 (# 1708:25 Unique 2.27, 4.61 A)
&rst
ixpk= 1708, nxpk= 25, iat=1743, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 54 GLY HN 53 VAL MGY 4.50 (# 1709:25 Unique 4.02, 4.97 A)
&rst
ixpk= 1709, nxpk= 25, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 52 GLU HN 53 VAL MGY 5.50 (# 1710:25 Unique 3.62, 5.75 A)
&rst
ixpk= 1710, nxpk= 25, iat= 775, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 49 MET HA 53 VAL MGY 5.50 (# 1711:25 Unique 5.17, 7.43 A)
&rst
ixpk= 1711, nxpk= 25, iat= 728, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 0 AMB 25-2:1712 53 VAL MGY 5.50 (# 1712:25 Single Ambig)
&rst
ixpk= 1712, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 815, 777,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 52 GLU HB- 53 VAL MGY 5.50 (# 1715:25 Unique 2.26, 5.49 A)
&rst
ixpk= 1715, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 779, 780,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 0 AMB 25-2:1716 53 VAL MGX 5.50 (# 1716:25 Single Ambig)
&rst
ixpk= 1716, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 329, 728,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 0 AMB 25-2:1717 53 VAL MGX 4.50 (# 1717:25 Single Ambig)
&rst
ixpk= 1717, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 815, 777,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 51 GLU HA 53 VAL MGX 5.50 (# 1718:25 Unique 4.96, 6.63 A)
&rst
ixpk= 1718, nxpk= 25, iat= 762, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 52 GLU HG- 53 VAL MGX 5.50 (# 1722:25 Unique 2.45, 5.71 A)
&rst
ixpk= 1722, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 782, 783,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 0 AMB 25-2:1723 53 VAL MGX 4.50 (# 1723:25 Single Ambig)
&rst
ixpk= 1723, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 779, 780,1737,1738,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 0 AMB 25-2:1724 53 VAL MGX 4.50 (# 1724:25 Single Ambig)
&rst
ixpk= 1724, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1737,1738, 747, 748,1734,1735,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 55 ILE QG2 53 VAL MGX 5.50 (# 1726:25 Unique 4.42, 7.13 A)
&rst
ixpk= 1726, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 819, 820, 821,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 53 VAL HN 54 GLY HA- 5.50 (# 1727:25 Unique 4.40, 4.87 A)
&rst
ixpk= 1727, nxpk= 25, iat= 790, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 808, 809,
&end
#
# 53 VAL HN 54 GLY HA+ 5.50 (# 1728:25 Unique 4.40, 4.87 A)
&rst
ixpk= 1728, nxpk= 25, iat= 790, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 808, 809,
&end
#
# 55 ILE HG1+ 54 GLY HA- 5.50 (# 1731:25 Unique 4.23, 5.48 A)
&rst
ixpk= 1731, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 823, 824,
igr2= 808, 809,
&end
#
# 0 AMB 25-2:1732 54 GLY HA- 5.50 (# 1732:25 Single Ambig)
&rst
ixpk= 1732, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 796, 797, 798, 800, 801, 802, 817,
igr2= 808, 809,
&end
#
# 0 AMB 25-2:1733 0 AMB 25-1:1733 5.50 (# 1733:25 Double Ambig)
&rst
ixpk= 1733, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
igr1= 796, 797, 798, 800, 801, 802, 817,
igr2= 808, 809, 808, 809,
&end
#
# 55 ILE QD1 55 ILE HA 4.50 (# 1734:25 Unique 2.21, 3.48 A)
&rst
ixpk= 1734, nxpk= 25, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 826, 827, 828,
&end
#
# 0 AMB 25-2:1736 0 AMB 25-1:1736 5.50 (# 1736:25 Double Ambig)
&rst
ixpk= 1736, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1740,1741, 794,
igr2=1732, 815,
&end
#
# 116 ARG HD+ 116 ARG HA 4.50 (# 1737:25 Unique 3.74, 4.18 A)
&rst
ixpk= 1737, nxpk= 25, iat= -1,1732, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1740,1741,
&end
#
# 21 PHE HD 116 ARG HA 4.50 (# 1738:25 Unique 3.89, 5.66 A)
&rst
ixpk= 1738, nxpk= 25, iat= -1,1732, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 335, 343,
&end
#
# 21 PHE HE 116 ARG HA 5.50 (# 1739:25 Unique 2.09, 4.26 A)
&rst
ixpk= 1739, nxpk= 25, iat= -1,1732, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 337, 341,
&end
#
# 111 VAL HN 110 GLU HA 3.50 (# 1740:25 Unique 3.53, 3.55 A)
&rst
ixpk= 1740, nxpk= 25, iat=1640,1627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 ILE HN 55 ILE HA 3.50 (# 1741:25 Unique 2.85, 2.90 A)
&rst
ixpk= 1741, nxpk= 25, iat= 813, 815, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 ILE HA 55 ILE HB 4.50 (# 1742:25 Unique 2.94, 2.95 A)
&rst
ixpk= 1742, nxpk= 25, iat= 815, 817, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 MET HB- 55 ILE HB 4.50 (# 1743:25 Unique 2.11, 2.80 A)
&rst
ixpk= 1743, nxpk= 25, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 747, 748,
&end
#
# 50 MET HB+ 55 ILE HB 4.50 (# 1744:25 Unique 2.11, 2.80 A)
&rst
ixpk= 1744, nxpk= 25, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 747, 748,
&end
#
# 55 ILE HG1+ 55 ILE HB 3.50 (# 1746:25 Unique 2.28, 2.51 A)
&rst
ixpk= 1746, nxpk= 25, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 823, 824,
&end
#
# 0 AMB 25-2:1747 55 ILE HB 2.80 (# 1747:25 Single Ambig)
&rst
ixpk= 1747, nxpk= 25, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 823, 824, 289, 290, 291,
&end
#
# 55 ILE QD1 55 ILE HB 3.50 (# 1748:25 Unique 2.62, 3.80 A)
&rst
ixpk= 1748, nxpk= 25, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 826, 827, 828,
&end
#
# 55 ILE QG2 55 ILE HB 2.80 (# 1749:25 Unique 2.26, 2.64 A)
&rst
ixpk= 1749, nxpk= 25, iat= -1, 817, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 819, 820, 821,
&end
#
# 55 ILE QG2 55 ILE HG1+ 3.50 (# 1750:25 Unique 2.53, 3.64 A)
&rst
ixpk= 1750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 819, 820, 821,
igr2= 823, 824,
&end
#
# 55 ILE QD1 55 ILE HG1- 2.80 (# 1751:25 Unique 2.31, 2.65 A)
&rst
ixpk= 1751, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 826, 827, 828,
igr2= 823, 824,
&end
#
# 55 ILE QG2 55 ILE HG1- 3.50 (# 1752:25 Unique 2.53, 3.64 A)
&rst
ixpk= 1752, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 819, 820, 821,
igr2= 823, 824,
&end
#
# 55 ILE QD1 55 ILE HG1+ 2.80 (# 1753:25 Unique 2.31, 2.65 A)
&rst
ixpk= 1753, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 826, 827, 828,
igr2= 823, 824,
&end
#
# 0 AMB 25-2:1755 55 ILE HG1- 2.80 (# 1755:25 Single Ambig)
&rst
ixpk= 1755, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
igr1= 796, 797, 798, 800, 801, 802, 817,
igr2= 823, 824,
&end
#
# 55 ILE HB 55 ILE HG1+ 2.80 (# 1757:25 Unique 2.28, 2.51 A)
&rst
ixpk= 1757, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 823, 824,
&end
#
# 55 ILE HA 55 ILE HG1+ 3.50 (# 1758:25 Unique 2.05, 3.01 A)
&rst
ixpk= 1758, nxpk= 25, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 823, 824,
&end
#
# 55 ILE HA 55 ILE HG1- 3.50 (# 1759:25 Unique 2.05, 3.01 A)
&rst
ixpk= 1759, nxpk= 25, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 823, 824,
&end
#
# 55 ILE HN 55 ILE HG1+ 3.50 (# 1760:25 Unique 2.30, 3.08 A)
&rst
ixpk= 1760, nxpk= 25, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 823, 824,
&end
#
# 55 ILE HN 55 ILE HG1- 5.50 (# 1761:25 Unique 2.30, 3.08 A)
&rst
ixpk= 1761, nxpk= 25, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 823, 824,
&end
#
# 0 AMB 25-2:1763 57 ILE QD1 4.50 (# 1763:25 Single Ambig)
&rst
ixpk= 1763, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 844, 626,
igr2= 857, 858, 859,
&end
#
# 47 ILE HN 57 ILE QD1 5.50 (# 1764:25 Unique 3.19, 4.35 A)
&rst
ixpk= 1764, nxpk= 25, iat= 697, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 857, 858, 859,
&end
#
# 21 PHE HE 55 ILE QD1 4.50 (# 1765:25 Unique 3.08, 5.35 A)
&rst
ixpk= 1765, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 337, 341,
igr2= 826, 827, 828,
&end
#
# 24 THR HN 55 ILE QD1 5.50 (# 1766:25 Unique 3.69, 4.51 A)
&rst
ixpk= 1766, nxpk= 25, iat= 379, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 826, 827, 828,
&end
#
# 0 AMB 25-2:1769 0 AMB 25-1:1769 5.50 (# 1769:25 Double Ambig)
&rst
ixpk= 1769, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 762, 867, 868, 349,
igr2= 826, 827, 828, 857, 858, 859,
&end
#
# 0 AMB 25-2:1770 57 ILE QD1 4.50 (# 1770:25 Single Ambig)
&rst
ixpk= 1770, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 689, 628, 865,
igr2= 857, 858, 859,
&end
#
# 0 AMB 25-2:1771 0 AMB 25-1:1771 4.50 (# 1771:25 Double Ambig)
&rst
ixpk= 1771, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 285, 286, 322, 323,
igr2= 857, 858, 859, 826, 827, 828,
&end
#
# 0 AMB 25-2:1772 55 ILE QD1 5.50 (# 1772:25 Single Ambig)
&rst
ixpk= 1772, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 331, 332, 370, 371,
igr2= 826, 827, 828,
&end
#
# 0 AMB 25-2:1773 55 ILE QD1 5.50 (# 1773:25 Single Ambig)
&rst
ixpk= 1773, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 794,1740,1741,
igr2= 826, 827, 828,
&end
#
# 50 MET HG- 57 ILE QD1 4.50 (# 1774:25 Unique 2.23, 3.20 A)
&rst
ixpk= 1774, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 750, 751,
igr2= 857, 858, 859,
&end
#
# 0 AMB 25-2:1775 57 ILE QD1 2.80 (# 1775:25 Single Ambig)
&rst
ixpk= 1775, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 750, 751, 848,
igr2= 857, 858, 859,
&end
#
# 0 AMB 25-2:1776 57 ILE QD1 2.80 (# 1776:25 Single Ambig)
&rst
ixpk= 1776, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 747, 748, 630,
igr2= 857, 858, 859,
&end
#
# 0 AMB 25-2:1777 57 ILE QD1 2.80 (# 1777:25 Single Ambig)
&rst
ixpk= 1777, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
igr1= 268, 269, 265, 266, 691, 692, 693,
igr2= 857, 858, 859,
&end
#
# 55 ILE HG1+ 55 ILE QD1 2.80 (# 1778:25 Unique 2.31, 2.65 A)
&rst
ixpk= 1778, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 823, 824,
igr2= 826, 827, 828,
&end
#
# 0 AMB 25-2:1779 0 AMB 25-1:1779 2.80 (# 1779:25 Double Ambig)
&rst
ixpk= 1779, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 265, 266, 796, 797, 798, 800, 801, 802,
igr2= 857, 858, 859, 826, 827, 828,
&end
#
# 0 AMB 25-2:1780 0 AMB 25-1:1780 2.80 (# 1780:25 Double Ambig)
&rst
ixpk= 1780, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 289, 290, 291, 632, 633, 634, 636, 637, 638,
igr2= 826, 827, 828, 857, 858, 859,
&end
#
# 57 ILE QG2 55 ILE QG2 2.80 (# 1781:25 Unique 2.12, 3.23 A)
&rst
ixpk= 1781, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 850, 851, 852,
igr2= 819, 820, 821,
&end
#
# 17 MET ME 55 ILE QG2 2.80 (# 1782:25 Unique 2.02, 3.79 A)
&rst
ixpk= 1782, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 289, 290, 291,
igr2= 819, 820, 821,
&end
#
# 55 ILE HB 55 ILE QG2 2.80 (# 1783:25 Unique 2.26, 2.64 A)
&rst
ixpk= 1783, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 819, 820, 821,
&end
#
# 55 ILE HG1+ 55 ILE QG2 3.50 (# 1784:25 Unique 2.53, 3.64 A)
&rst
ixpk= 1784, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 823, 824,
igr2= 819, 820, 821,
&end
#
# 0 AMB 25-2:1786 55 ILE QG2 4.50 (# 1786:25 Single Ambig)
&rst
ixpk= 1786, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 750, 751, 848,
igr2= 819, 820, 821,
&end
#
# 0 AMB 25-2:1787 55 ILE QG2 5.50 (# 1787:25 Single Ambig)
&rst
ixpk= 1787, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 750, 751, 836, 837,
igr2= 819, 820, 821,
&end
#
# 23 LYS HE+ 55 ILE QG2 4.50 (# 1788:25 Unique 3.24, 6.19 A)
&rst
ixpk= 1788, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 370, 371,
igr2= 819, 820, 821,
&end
#
# 20 GLY HA- 55 ILE QG2 4.50 (# 1789:25 Unique 2.29, 3.41 A)
&rst
ixpk= 1789, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 322, 323,
igr2= 819, 820, 821,
&end
#
# 20 GLY HA+ 55 ILE QG2 4.50 (# 1790:25 Unique 2.29, 3.41 A)
&rst
ixpk= 1790, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 322, 323,
igr2= 819, 820, 821,
&end
#
# 0 AMB 25-2:1791 55 ILE QG2 5.50 (# 1791:25 Single Ambig)
&rst
ixpk= 1791, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 280, 762,
igr2= 819, 820, 821,
&end
#
# 21 PHE HA 55 ILE QG2 5.50 (# 1792:25 Unique 4.66, 5.72 A)
&rst
ixpk= 1792, nxpk= 25, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 819, 820, 821,
&end
#
# 0 AMB 25-2:1794 55 ILE QG2 4.50 (# 1794:25 Single Ambig)
&rst
ixpk= 1794, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 813, 743,
igr2= 819, 820, 821,
&end
#
# 57 ILE HN 55 ILE QG2 5.50 (# 1795:25 Unique 2.94, 4.30 A)
&rst
ixpk= 1795, nxpk= 25, iat= 844, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 819, 820, 821,
&end
#
# 57 ILE HN 56 ASP HB- 4.50 (# 1802:25 Unique 4.30, 4.49 A)
&rst
ixpk= 1802, nxpk= 25, iat= 844, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 836, 837,
&end
#
# 57 ILE HN 56 ASP HB+ 5.50 (# 1803:25 Unique 4.30, 4.49 A)
&rst
ixpk= 1803, nxpk= 25, iat= 844, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 836, 837,
&end
#
# 55 ILE HA 56 ASP HB+ 4.50 (# 1804:25 Unique 4.22, 4.60 A)
&rst
ixpk= 1804, nxpk= 25, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 836, 837,
&end
#
# 55 ILE HA 56 ASP HB- 4.50 (# 1805:25 Unique 4.22, 4.60 A)
&rst
ixpk= 1805, nxpk= 25, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 836, 837,
&end
#
# 55 ILE QG2 56 ASP HB+ 5.50 (# 1806:25 Unique 4.28, 5.85 A)
&rst
ixpk= 1806, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 819, 820, 821,
igr2= 836, 837,
&end
#
# 55 ILE QG2 56 ASP HB- 5.50 (# 1807:25 Unique 4.28, 5.85 A)
&rst
ixpk= 1807, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 819, 820, 821,
igr2= 836, 837,
&end
#
# 0 AMB 25-2:1808 57 ILE HA 2.80 (# 1808:25 Single Ambig)
&rst
ixpk= 1808, nxpk= 25, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 885, 886, 848,
&end
#
# 61 THR HB 61 THR HA 2.80 (# 1809:25 Unique 2.43, 2.58 A)
&rst
ixpk= 1809, nxpk= 25, iat= 902, 900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 GLN HN 0 AMB 25-1:1810 5.50 (# 1810:25 Single Ambig)
&rst
ixpk= 1810, nxpk= 25, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 846, 900,
&end
#
# 0 AMB 25-2:1811 57 ILE HB 3.50 (# 1811:25 Single Ambig)
&rst
ixpk= 1811, nxpk= 25, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 854, 855, 265, 266,
&end
#
# 57 ILE HN 57 ILE HG1- 3.50 (# 1812:25 Unique 2.30, 2.67 A)
&rst
ixpk= 1812, nxpk= 25, iat= 844, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 854, 855,
&end
#
# 101 LEU HA 101 LEU MDY 4.50 (# 1813:25 Unique 2.09, 3.86 A)
&rst
ixpk= 1813, nxpk= 25, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 47 ILE HA 57 ILE HG1- 3.50 (# 1814:25 Unique 2.51, 2.92 A)
&rst
ixpk= 1814, nxpk= 25, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 854, 855,
&end
#
# 57 ILE HB 57 ILE HG1- 2.80 (# 1815:25 Unique 2.45, 2.79 A)
&rst
ixpk= 1815, nxpk= 25, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 854, 855,
&end
#
# 0 AMB 25-2:1816 57 ILE HG1- 2.80 (# 1816:25 Single Ambig)
&rst
ixpk= 1816, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 707, 708, 857, 858, 859,
igr2= 854, 855,
&end
#
# 57 ILE QG2 57 ILE HG1- 2.80 (# 1817:25 Unique 2.41, 3.54 A)
&rst
ixpk= 1817, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 850, 851, 852,
igr2= 854, 855,
&end
#
# 57 ILE HN 57 ILE QG2 4.50 (# 1818:25 Unique 3.19, 4.08 A)
&rst
ixpk= 1818, nxpk= 25, iat= 844, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 850, 851, 852,
&end
#
# 20 GLY HN 57 ILE QG2 4.50 (# 1819:25 Unique 2.86, 3.82 A)
&rst
ixpk= 1819, nxpk= 25, iat= 320, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 850, 851, 852,
&end
#
# 60 GLN HE2+ 57 ILE QG2 4.50 (# 1820:25 Unique 1.98, 4.25 A)
&rst
ixpk= 1820, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 893, 894,
igr2= 850, 851, 852,
&end
#
# 60 GLN HE2- 57 ILE QG2 5.50 (# 1821:25 Unique 1.98, 4.25 A)
&rst
ixpk= 1821, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 893, 894,
igr2= 850, 851, 852,
&end
#
# 17 MET HA 57 ILE QG2 4.50 (# 1823:25 Unique 2.46, 4.20 A)
&rst
ixpk= 1823, nxpk= 25, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 850, 851, 852,
&end
#
# 20 GLY HA+ 57 ILE QG2 3.50 (# 1824:25 Unique 2.37, 3.30 A)
&rst
ixpk= 1824, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 322, 323,
igr2= 850, 851, 852,
&end
#
# 47 ILE HA 57 ILE QG2 5.50 (# 1825:25 Unique 5.12, 5.94 A)
&rst
ixpk= 1825, nxpk= 25, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 850, 851, 852,
&end
#
# 23 LYS HE+ 57 ILE QG2 5.50 (# 1827:25 Unique 3.16, 5.50 A)
&rst
ixpk= 1827, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 370, 371,
igr2= 850, 851, 852,
&end
#
# 50 MET HG- 57 ILE QG2 4.50 (# 1828:25 Unique 3.23, 5.17 A)
&rst
ixpk= 1828, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 750, 751,
igr2= 850, 851, 852,
&end
#
# 0 AMB 25-2:1829 57 ILE QG2 2.80 (# 1829:25 Single Ambig)
&rst
ixpk= 1829, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 848, 750, 751,
igr2= 850, 851, 852,
&end
#
# 0 AMB 25-2:1830 57 ILE QG2 3.50 (# 1830:25 Single Ambig)
&rst
ixpk= 1830, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 312, 313, 747, 748,
igr2= 850, 851, 852,
&end
#
# 55 ILE QG2 57 ILE QG2 2.80 (# 1831:25 Unique 2.12, 3.23 A)
&rst
ixpk= 1831, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 819, 820, 821,
igr2= 850, 851, 852,
&end
#
# 0 AMB 25-2:1832 58 SER HA 4.50 (# 1832:25 Single Ambig)
&rst
ixpk= 1832, nxpk= 25, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 844, 626,
&end
#
# 41 ARG HE 58 SER HA 5.50 (# 1833:25 Unique 3.17, 4.41 A)
&rst
ixpk= 1833, nxpk= 25, iat= 615, 865, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 GLN HN 58 SER HA 4.50 (# 1834:25 Unique 3.48, 3.99 A)
&rst
ixpk= 1834, nxpk= 25, iat= 881, 865, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 ARG HG- 58 SER HA 5.50 (# 1835:25 Unique 2.90, 5.06 A)
&rst
ixpk= 1835, nxpk= 25, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 57 ILE HG1- 58 SER HA 5.50 (# 1836:25 Unique 3.17, 4.48 A)
&rst
ixpk= 1836, nxpk= 25, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 854, 855,
&end
#
# 0 AMB 25-2:1837 58 SER HA 2.80 (# 1837:25 Single Ambig)
&rst
ixpk= 1837, nxpk= 25, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 710, 711, 712, 632, 633, 634, 636, 637, 638,
&end
#
# 107 GLN HE2+ 104 PRO HA 4.50 (# 1839:25 Unique 2.17, 3.86 A)
&rst
ixpk= 1839, nxpk= 25, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1590,1591,
&end
#
# 107 GLN HE2- 104 PRO HA 4.50 (# 1840:25 Unique 2.17, 3.86 A)
&rst
ixpk= 1840, nxpk= 25, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1590,1591,
&end
#
# 107 GLN HG+ 104 PRO HA 3.50 (# 1841:25 Unique 2.06, 2.52 A)
&rst
ixpk= 1841, nxpk= 25, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1585,1586,
&end
#
# 0 AMB 25-2:1842 104 PRO HA 3.50 (# 1842:25 Single Ambig)
&rst
ixpk= 1842, nxpk= 25, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1585,1586,1582,1583,
&end
#
# 104 PRO HG+ 104 PRO HA 4.50 (# 1844:25 Unique 3.72, 3.95 A)
&rst
ixpk= 1844, nxpk= 25, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1549,1550,
&end
#
# 0 AMB 25-2:1845 104 PRO HA 2.80 (# 1845:25 Single Ambig)
&rst
ixpk= 1845, nxpk= 25, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1552,1553,1646,1647,1648,1650,1651,1652,
&end
#
# 111 VAL MGX 104 PRO HA 2.80 (# 1846:25 Unique 2.57, 4.30 A)
&rst
ixpk= 1846, nxpk= 25, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 104 PRO HB+ 104 PRO HA 4.50 (# 1847:25 Unique 2.25, 2.49 A)
&rst
ixpk= 1847, nxpk= 25, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1552,1553,
&end
#
# 0 AMB 25-2:1848 0 AMB 25-1:1848 2.80 (# 1848:25 Double Ambig)
&rst
ixpk= 1848, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 703, 704, 705,1720,1721,1722,1724,1725,1726,
igr2= 867, 868,1555,
&end
#
# 59 GLY HN 59 GLY HA+ 3.50 (# 1849:25 Unique 2.27, 2.64 A)
&rst
ixpk= 1849, nxpk= 25, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 876, 877,
&end
#
# 59 GLY HN 59 GLY HA- 3.50 (# 1850:25 Unique 2.27, 2.64 A)
&rst
ixpk= 1850, nxpk= 25, iat= 874, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 876, 877,
&end
#
# 60 GLN HG+ 60 GLN HA 2.80 (# 1851:25 Unique 2.31, 2.83 A)
&rst
ixpk= 1851, nxpk= 25, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 888, 889,
&end
#
# 60 GLN HB- 60 GLN HA 2.80 (# 1852:25 Unique 2.38, 2.75 A)
&rst
ixpk= 1852, nxpk= 25, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 885, 886,
&end
#
# 61 THR MG2 60 GLN HA 5.50 (# 1853:25 Unique 3.91, 5.41 A)
&rst
ixpk= 1853, nxpk= 25, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 904, 905, 906,
&end
#
# 60 GLN HE2- 60 GLN HB+ 4.50 (# 1854:25 Unique 2.07, 3.58 A)
&rst
ixpk= 1854, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 893, 894,
igr2= 885, 886,
&end
#
# 76 VAL MGY 76 VAL HB 2.80 (# 1855:25 Unique 2.39, 2.68 A)
&rst
ixpk= 1855, nxpk= 25, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1120,1121,1122,1124,1125,1126,
&end
#
# 95 ILE QG2 76 VAL HB 5.50 (# 1856:25 Unique 5.49, 6.90 A)
&rst
ixpk= 1856, nxpk= 25, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1398,1399,1400,
&end
#
# 62 SER HN 62 SER HB+ 4.50 (# 1866:25 Unique 2.34, 3.65 A)
&rst
ixpk= 1866, nxpk= 25, iat= 912, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 916, 917,
&end
#
# 62 SER HN 62 SER HB- 4.50 (# 1867:25 Unique 2.34, 3.65 A)
&rst
ixpk= 1867, nxpk= 25, iat= 912, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 916, 917,
&end
#
# 63 ASP HN 62 SER HB- 4.50 (# 1868:25 Unique 2.01, 2.92 A)
&rst
ixpk= 1868, nxpk= 25, iat= 923, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 916, 917,
&end
#
# 65 ILE QD1 65 ILE HA 5.50 (# 1870:25 Unique 3.81, 4.45 A)
&rst
ixpk= 1870, nxpk= 25, iat= -1, 951, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 962, 963, 964,
&end
#
# 0 AMB 25-2:1872 65 ILE HA 4.50 (# 1872:25 Single Ambig)
&rst
ixpk= 1872, nxpk= 25, iat= -1, 951, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 987, 988, 942, 943, 975, 976,
&end
#
# 0 AMB 25-2:1873 65 ILE HA 5.50 (# 1873:25 Single Ambig)
&rst
ixpk= 1873, nxpk= 25, iat= -1, 951, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 942, 943, 972, 973,
&end
#
# 35 SER HB- 65 ILE HA 3.50 (# 1875:25 Unique 2.10, 2.59 A)
&rst
ixpk= 1875, nxpk= 25, iat= -1, 951, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 532, 533,
&end
#
# 35 SER HB+ 65 ILE HA 4.50 (# 1876:25 Unique 2.10, 2.59 A)
&rst
ixpk= 1876, nxpk= 25, iat= -1, 951, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 532, 533,
&end
#
# 68 PHE HE 65 ILE HA 4.50 (# 1879:25 Unique 2.09, 5.14 A)
&rst
ixpk= 1879, nxpk= 25, iat= -1, 951, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1007,1011,
&end
#
# 0 AMB 25-2:1880 65 ILE HA 5.50 (# 1880:25 Single Ambig)
&rst
ixpk= 1880, nxpk= 25, iat= -1, 951, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 539, 983,
&end
#
# 65 ILE HN 65 ILE HA 3.50 (# 1881:25 Unique 2.73, 2.79 A)
&rst
ixpk= 1881, nxpk= 25, iat= 949, 951, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 GLU HN 65 ILE HA 5.50 (# 1882:25 Unique 3.40, 3.44 A)
&rst
ixpk= 1882, nxpk= 25, iat= 968, 951, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 GLY HN 65 ILE HB 5.50 (# 1883:25 Unique 2.22, 3.87 A)
&rst
ixpk= 1883, nxpk= 25, iat= 539, 953, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:1884 65 ILE HB 5.50 (# 1884:25 Single Ambig)
&rst
ixpk= 1884, nxpk= 25, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1005,1013,1009,
&end
#
# 37 LEU HA 65 ILE HB 5.50 (# 1886:25 Unique 3.44, 4.84 A)
&rst
ixpk= 1886, nxpk= 25, iat= 548, 953, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 ILE HA 65 ILE HB 3.50 (# 1887:25 Unique 2.44, 2.51 A)
&rst
ixpk= 1887, nxpk= 25, iat= 951, 953, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:1888 65 ILE HB 3.50 (# 1888:25 Single Ambig)
&rst
ixpk= 1888, nxpk= 25, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 959, 960, 555, 556, 557, 559, 560, 561,
&end
#
# 65 ILE QG2 65 ILE HB 2.80 (# 1889:25 Unique 2.36, 2.65 A)
&rst
ixpk= 1889, nxpk= 25, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 955, 956, 957,
&end
#
# 65 ILE QD1 65 ILE HB 3.50 (# 1890:25 Unique 2.39, 3.03 A)
&rst
ixpk= 1890, nxpk= 25, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 962, 963, 964,
&end
#
# 65 ILE QD1 65 ILE HG1- 3.50 (# 1891:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1891, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 962, 963, 964,
igr2= 959, 960,
&end
#
# 65 ILE QD1 65 ILE HG1+ 3.50 (# 1892:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1892, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 962, 963, 964,
igr2= 959, 960,
&end
#
# 65 ILE HB 65 ILE HG1- 2.80 (# 1893:25 Unique 2.47, 2.79 A)
&rst
ixpk= 1893, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 959, 960,
&end
#
# 65 ILE HB 65 ILE HG1+ 3.50 (# 1894:25 Unique 2.47, 2.79 A)
&rst
ixpk= 1894, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 65 ILE HA 65 ILE HG1- 3.50 (# 1895:25 Unique 2.26, 2.72 A)
&rst
ixpk= 1895, nxpk= 25, iat= 951, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 959, 960,
&end
#
# 65 ILE HA 65 ILE HG1+ 5.50 (# 1896:25 Unique 2.26, 2.72 A)
&rst
ixpk= 1896, nxpk= 25, iat= 951, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 959, 960,
&end
#
# 68 PHE HD 65 ILE HG1- 5.50 (# 1897:25 Unique 3.55, 5.45 A)
&rst
ixpk= 1897, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1005,1013,
igr2= 959, 960,
&end
#
# 0 AMB 25-2:1898 0 AMB 25-1:1898 5.50 (# 1898:25 Double Ambig)
&rst
ixpk= 1898, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1319,1005,1013,
igr2= 959, 960, 959, 960,
&end
#
# 90 TRP HE1 65 ILE HG1+ 5.50 (# 1899:25 Unique 2.77, 4.08 A)
&rst
ixpk= 1899, nxpk= 25, iat=1316, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 959, 960,
&end
#
# 7 VAL MGX 65 ILE QD1 3.50 (# 1900:25 Unique 2.26, 4.22 A)
&rst
ixpk= 1900, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 124, 125, 126, 128, 129, 130,
igr2= 962, 963, 964,
&end
#
# 65 ILE HB 65 ILE QD1 3.50 (# 1901:25 Unique 2.39, 3.03 A)
&rst
ixpk= 1901, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 962, 963, 964,
&end
#
# 0 AMB 25-2:1902 65 ILE QD1 5.50 (# 1902:25 Single Ambig)
&rst
ixpk= 1902, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1248,1249, 122,
igr2= 962, 963, 964,
&end
#
# 0 AMB 25-2:1903 65 ILE QD1 5.50 (# 1903:25 Single Ambig)
&rst
ixpk= 1903, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1264,1265,1001,1002,
igr2= 962, 963, 964,
&end
#
# 65 ILE HA 65 ILE QD1 5.50 (# 1904:25 Unique 3.81, 4.45 A)
&rst
ixpk= 1904, nxpk= 25, iat= 951, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 962, 963, 964,
&end
#
# 90 TRP HE1 65 ILE QG2 5.50 (# 1905:25 Unique 3.37, 4.97 A)
&rst
ixpk= 1905, nxpk= 25, iat=1316, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 955, 956, 957,
&end
#
# 67 ASN HN 65 ILE QG2 5.50 (# 1906:25 Unique 5.02, 5.63 A)
&rst
ixpk= 1906, nxpk= 25, iat= 983, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 955, 956, 957,
&end
#
# 90 TRP HZ2 65 ILE QG2 5.50 (# 1907:25 Unique 4.18, 5.77 A)
&rst
ixpk= 1907, nxpk= 25, iat=1319, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 955, 956, 957,
&end
#
# 90 TRP HD1 65 ILE QG2 5.50 (# 1908:25 Unique 3.87, 5.66 A)
&rst
ixpk= 1908, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 955, 956, 957,
&end
#
# 65 ILE HA 65 ILE QG2 4.50 (# 1910:25 Unique 3.73, 3.96 A)
&rst
ixpk= 1910, nxpk= 25, iat= 951, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 955, 956, 957,
&end
#
# 0 AMB 25-2:1911 65 ILE QG2 5.50 (# 1911:25 Single Ambig)
&rst
ixpk= 1911, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1310,1311,1001,1002,
igr2= 955, 956, 957,
&end
#
# 0 AMB 25-2:1912 65 ILE QG2 3.50 (# 1912:25 Single Ambig)
&rst
ixpk= 1912, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 975, 976, 942, 943,1267,1268,
igr2= 955, 956, 957,
&end
#
# 0 AMB 25-2:1913 65 ILE QG2 4.50 (# 1913:25 Single Ambig)
&rst
ixpk= 1913, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 972, 973, 942, 943,
igr2= 955, 956, 957,
&end
#
# 37 LEU HG 65 ILE QG2 3.50 (# 1914:25 Unique 2.38, 3.62 A)
&rst
ixpk= 1914, nxpk= 25, iat= 553, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 955, 956, 957,
&end
#
# 65 ILE HB 65 ILE QG2 2.80 (# 1915:25 Unique 2.36, 2.65 A)
&rst
ixpk= 1915, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 955, 956, 957,
&end
#
# 65 ILE QD1 5 MET ME 4.50 (# 1916:25 Unique 2.37, 5.16 A)
&rst
ixpk= 1916, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 962, 963, 964,
igr2= 92, 93, 94,
&end
#
# 0 AMB 25-2:1917 66 GLU HA 5.50 (# 1917:25 Single Ambig)
&rst
ixpk= 1917, nxpk= 25, iat= -1, 970, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 949,1031,
&end
#
# 68 PHE HN 66 GLU HA 4.50 (# 1918:25 Unique 3.45, 3.65 A)
&rst
ixpk= 1918, nxpk= 25, iat= 997, 970, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 PHE HD 66 GLU HA 5.50 (# 1919:25 Unique 5.02, 7.01 A)
&rst
ixpk= 1919, nxpk= 25, iat= -1, 970, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1005,1013,
&end
#
# 0 AMB 25-2:1920 66 GLU HA 2.80 (# 1920:25 Single Ambig)
&rst
ixpk= 1920, nxpk= 25, iat= -1, 970, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 975, 976,1267,1268,
&end
#
# 66 GLU HB+ 66 GLU HA 2.80 (# 1921:25 Unique 2.39, 2.72 A)
&rst
ixpk= 1921, nxpk= 25, iat= -1, 970, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 972, 973,
&end
#
# 65 ILE HB 66 GLU HA 5.50 (# 1922:25 Unique 5.62, 5.66 A)
&rst
ixpk= 1922, nxpk= 25, iat= 953, 970, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 PHE HN 66 GLU HB+ 5.50 (# 1923:25 Unique 4.84, 5.15 A)
&rst
ixpk= 1923, nxpk= 25, iat= 997, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 972, 973,
&end
#
# 67 ASN HN 66 GLU HG+ 5.50 (# 1924:25 Unique 3.52, 4.19 A)
&rst
ixpk= 1924, nxpk= 25, iat= 983, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 975, 976,
&end
#
# 0 AMB 25-2:1925 67 ASN HA 2.80 (# 1925:25 Single Ambig)
&rst
ixpk= 1925, nxpk= 25, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 987, 988, 975, 976,
&end
#
# 67 ASN HD2- 67 ASN HA 4.50 (# 1926:25 Unique 2.81, 4.41 A)
&rst
ixpk= 1926, nxpk= 25, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 992, 993,
&end
#
# 68 PHE HD 67 ASN HA 5.50 (# 1927:25 Unique 4.57, 6.20 A)
&rst
ixpk= 1927, nxpk= 25, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1005,1013,
&end
#
# 67 ASN HD2+ 67 ASN HB- 4.50 (# 1928:25 Unique 2.32, 3.19 A)
&rst
ixpk= 1928, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 992, 993,
igr2= 987, 988,
&end
#
# 67 ASN HD2+ 67 ASN HB+ 4.50 (# 1929:25 Unique 2.32, 3.19 A)
&rst
ixpk= 1929, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 992, 993,
igr2= 987, 988,
&end
#
# 68 PHE HB- 68 PHE HA 3.50 (# 1930:25 Unique 2.22, 2.77 A)
&rst
ixpk= 1930, nxpk= 25, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1001,1002,
&end
#
# 68 PHE HB+ 68 PHE HA 5.50 (# 1931:25 Unique 2.22, 2.77 A)
&rst
ixpk= 1931, nxpk= 25, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1001,1002,
&end
#
# 68 PHE HD 68 PHE HA 4.50 (# 1932:25 Unique 2.76, 3.57 A)
&rst
ixpk= 1932, nxpk= 25, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1005,1013,
&end
#
# 68 PHE HN 68 PHE HA 5.50 (# 1933:25 Unique 2.91, 2.97 A)
&rst
ixpk= 1933, nxpk= 25, iat= 997, 999, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 ASN HN 68 PHE HA 4.50 (# 1934:25 Unique 2.38, 2.45 A)
&rst
ixpk= 1934, nxpk= 25, iat=1017, 999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 PHE HA 68 PHE HB- 3.50 (# 1935:25 Unique 2.22, 2.77 A)
&rst
ixpk= 1935, nxpk= 25, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1001,1002,
&end
#
# 69 ASN HN 69 ASN HA 2.80 (# 1936:25 Unique 2.91, 2.95 A)
&rst
ixpk= 1936, nxpk= 25, iat=1017,1019, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 70 ALA HN 69 ASN HA 2.80 (# 1937:25 Unique 2.29, 2.39 A)
&rst
ixpk= 1937, nxpk= 25, iat=1031,1019, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 PHE HD 69 ASN HA 5.50 (# 1939:25 Unique 4.40, 6.46 A)
&rst
ixpk= 1939, nxpk= 25, iat= -1,1019, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1005,1013,
&end
#
# 69 ASN HB+ 69 ASN HA 2.80 (# 1941:25 Unique 2.34, 2.69 A)
&rst
ixpk= 1941, nxpk= 25, iat= -1,1019, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1021,1022,
&end
#
# 69 ASN HB- 69 ASN HA 2.80 (# 1942:25 Unique 2.34, 2.69 A)
&rst
ixpk= 1942, nxpk= 25, iat= -1,1019, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1021,1022,
&end
#
# 70 ALA MB 69 ASN HA 4.50 (# 1943:25 Unique 4.28, 5.04 A)
&rst
ixpk= 1943, nxpk= 25, iat= -1,1019, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1035,1036,1037,
&end
#
# 69 ASN HD2+ 69 ASN HB+ 4.50 (# 1944:25 Unique 2.28, 3.16 A)
&rst
ixpk= 1944, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1026,1027,
igr2=1021,1022,
&end
#
# 69 ASN HD2+ 69 ASN HB- 3.50 (# 1945:25 Unique 2.28, 3.16 A)
&rst
ixpk= 1945, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1026,1027,
igr2=1021,1022,
&end
#
# 72 ASP HN 69 ASN HB+ 4.50 (# 1946:25 Unique 2.93, 4.34 A)
&rst
ixpk= 1946, nxpk= 25, iat=1053, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1021,1022,
&end
#
# 70 ALA HN 69 ASN HB+ 3.50 (# 1947:25 Unique 2.31, 3.80 A)
&rst
ixpk= 1947, nxpk= 25, iat=1031, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1021,1022,
&end
#
# 70 ALA HN 69 ASN HB- 4.50 (# 1948:25 Unique 2.31, 3.80 A)
&rst
ixpk= 1948, nxpk= 25, iat=1031, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1021,1022,
&end
#
# 70 ALA MB 70 ALA HA 3.50 (# 1949:25 Unique 2.37, 2.67 A)
&rst
ixpk= 1949, nxpk= 25, iat= -1,1033, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1035,1036,1037,
&end
#
# 71 ASP HN 70 ALA HA 3.50 (# 1950:25 Unique 2.22, 3.39 A)
&rst
ixpk= 1950, nxpk= 25, iat=1041,1033, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 ALA HN 70 ALA HA 2.80 (# 1951:25 Unique 2.93, 2.94 A)
&rst
ixpk= 1951, nxpk= 25, iat=1031,1033, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 GLN HE2+ 70 ALA MB 4.50 (# 1953:25 Unique 2.29, 3.33 A)
&rst
ixpk= 1953, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1372,1373,
igr2=1035,1036,1037,
&end
#
# 0 AMB 25-2:1954 70 ALA MB 5.50 (# 1954:25 Single Ambig)
&rst
ixpk= 1954, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1314,1330,
igr2=1035,1036,1037,
&end
#
# 93 GLN HE2- 70 ALA MB 5.50 (# 1955:25 Unique 2.29, 3.33 A)
&rst
ixpk= 1955, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1372,1373,
igr2=1035,1036,1037,
&end
#
# 69 ASN HA 70 ALA MB 5.50 (# 1956:25 Unique 4.28, 5.04 A)
&rst
ixpk= 1956, nxpk= 25, iat=1019, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1035,1036,1037,
&end
#
# 93 GLN HG+ 70 ALA MB 5.50 (# 1957:25 Unique 2.48, 4.09 A)
&rst
ixpk= 1957, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1367,1368,
igr2=1035,1036,1037,
&end
#
# 89 GLU HB- 70 ALA MB 4.50 (# 1958:25 Unique 2.16, 4.22 A)
&rst
ixpk= 1958, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1295,1296,
igr2=1035,1036,1037,
&end
#
# 89 GLU HB+ 70 ALA MB 3.50 (# 1959:25 Unique 2.16, 4.22 A)
&rst
ixpk= 1959, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1295,1296,
igr2=1035,1036,1037,
&end
#
# 70 ALA MB 71 ASP HA 5.50 (# 1960:25 Unique 3.92, 4.79 A)
&rst
ixpk= 1960, nxpk= 25, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1035,1036,1037,
&end
#
# 72 ASP HN 71 ASP HB+ 3.50 (# 1961:25 Unique 2.51, 3.48 A)
&rst
ixpk= 1961, nxpk= 25, iat=1053, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1045,1046,
&end
#
# 70 ALA HN 71 ASP HB- 5.50 (# 1962:25 Unique 3.91, 4.44 A)
&rst
ixpk= 1962, nxpk= 25, iat=1031, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1045,1046,
&end
#
# 69 ASN HD2+ 71 ASP HB+ 4.50 (# 1963:25 Unique 2.25, 3.61 A)
&rst
ixpk= 1963, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1026,1027,
igr2=1045,1046,
&end
#
# 69 ASN HD2+ 71 ASP HB- 4.50 (# 1964:25 Unique 2.25, 3.61 A)
&rst
ixpk= 1964, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1026,1027,
igr2=1045,1046,
&end
#
# 93 GLN HE2- 71 ASP HB+ 5.50 (# 1965:25 Unique 3.58, 5.65 A)
&rst
ixpk= 1965, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1372,1373,
igr2=1045,1046,
&end
#
# 70 ALA MB 71 ASP HB- 5.50 (# 1967:25 Unique 4.52, 5.96 A)
&rst
ixpk= 1967, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1035,1036,1037,
igr2=1045,1046,
&end
#
# 0 AMB 25-2:1968 72 ASP HB- 3.50 (# 1968:25 Single Ambig)
&rst
ixpk= 1968, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1026,1027,1075,1080,
igr2=1057,1058,
&end
#
# 73 TYR HE 72 ASP HB+ 4.50 (# 1969:25 Unique 2.86, 5.91 A)
&rst
ixpk= 1969, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1075,1080,
igr2=1057,1058,
&end
#
# 3 LYS HD+ 72 ASP HB+ 5.50 (# 1970:25 Unique 3.94, 5.52 A)
&rst
ixpk= 1970, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 53, 54,
igr2=1057,1058,
&end
#
# 3 LYS HD+ 72 ASP HB- 5.50 (# 1971:25 Unique 3.94, 5.52 A)
&rst
ixpk= 1971, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 53, 54,
igr2=1057,1058,
&end
#
# 73 TYR HN 73 TYR HA 3.50 (# 1973:25 Unique 2.97, 2.98 A)
&rst
ixpk= 1973, nxpk= 25, iat=1065,1067, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 TYR HB+ 73 TYR HA 3.50 (# 1974:25 Unique 2.46, 2.79 A)
&rst
ixpk= 1974, nxpk= 25, iat= -1,1067, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1069,1070,
&end
#
# 3 LYS HB+ 73 TYR HA 2.80 (# 1975:25 Unique 2.03, 2.95 A)
&rst
ixpk= 1975, nxpk= 25, iat= -1,1067, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 47, 48,
&end
#
# 3 LYS HG+ 73 TYR HA 3.50 (# 1976:25 Unique 3.13, 4.23 A)
&rst
ixpk= 1976, nxpk= 25, iat= -1,1067, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 50, 51,
&end
#
# 3 LYS HG- 73 TYR HA 4.50 (# 1977:25 Unique 3.13, 4.23 A)
&rst
ixpk= 1977, nxpk= 25, iat= -1,1067, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 50, 51,
&end
#
# 74 ASP HA 73 TYR HB+ 5.50 (# 1978:25 Unique 4.27, 5.00 A)
&rst
ixpk= 1978, nxpk= 25, iat=1088, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1069,1070,
&end
#
# 90 TRP HH2 73 TYR HB+ 5.50 (# 1979:25 Unique 4.23, 5.37 A)
&rst
ixpk= 1979, nxpk= 25, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1069,1070,
&end
#
# 74 ASP HN 73 TYR HB+ 4.50 (# 1981:25 Unique 2.23, 3.43 A)
&rst
ixpk= 1981, nxpk= 25, iat=1086, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1069,1070,
&end
#
# 3 LYS HB+ 73 TYR HB+ 4.50 (# 1984:25 Unique 3.41, 4.71 A)
&rst
ixpk= 1984, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 47, 48,
igr2=1069,1070,
&end
#
# 76 VAL MGX 0 AMB 25-1:1986 5.50 (# 1986:25 Single Ambig)
&rst
ixpk= 1986, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1120,1121,1122,1124,1125,1126,
igr2= 85, 86,1069,1070,
&end
#
# 74 ASP HB+ 74 ASP HA 2.80 (# 1987:25 Unique 2.42, 2.74 A)
&rst
ixpk= 1987, nxpk= 25, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1090,1091,
&end
#
# 74 ASP HB- 74 ASP HA 2.80 (# 1988:25 Unique 2.42, 2.74 A)
&rst
ixpk= 1988, nxpk= 25, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1090,1091,
&end
#
# 74 ASP HN 74 ASP HA 3.50 (# 1989:25 Unique 2.82, 2.95 A)
&rst
ixpk= 1989, nxpk= 25, iat=1086,1088, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 LEU HB- 79 LEU HA 3.50 (# 1991:25 Unique 2.33, 2.79 A)
&rst
ixpk= 1991, nxpk= 25, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1164,1165,
&end
#
# 0 AMB 25-2:1992 74 ASP HA 4.50 (# 1992:25 Single Ambig)
&rst
ixpk= 1992, nxpk= 25, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1104,1105,1106,1108,1109,1110,1398,1399,1400,
&end
#
# 75 VAL MGX 74 ASP HB- 2.80 (# 1993:25 Unique 2.33, 5.60 A)
&rst
ixpk= 1993, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1104,1105,1106,1108,1109,1110,
igr2=1090,1091,
&end
#
# 0 AMB 25-2:1994 0 AMB 25-1:1994 5.50 (# 1994:25 Double Ambig)
&rst
ixpk= 1994, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1983,1984,1985, 71, 72, 73, 75, 76, 77,
igr2=1090,1091,1090,1091,
&end
#
# 0 AMB 25-2:1995 74 ASP HB- 5.50 (# 1995:25 Single Ambig)
&rst
ixpk= 1995, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1983,1984,1985, 71, 72, 73, 75, 76, 77,
igr2=1090,1091,
&end
#
# 2 LYS HB+ 74 ASP HB+ 4.50 (# 1996:25 Unique 2.21, 3.51 A)
&rst
ixpk= 1996, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 25, 26,
igr2=1090,1091,
&end
#
# 2 LYS HB- 74 ASP HB- 2.80 (# 1997:25 Unique 2.21, 3.51 A)
&rst
ixpk= 1997, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 25, 26,
igr2=1090,1091,
&end
#
# 2 LYS HB+ 74 ASP HB- 4.50 (# 1998:25 Unique 2.21, 3.51 A)
&rst
ixpk= 1998, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 25, 26,
igr2=1090,1091,
&end
#
# 0 AMB 25-2:2001 74 ASP HB- 5.50 (# 2001:25 Single Ambig)
&rst
ixpk= 2001, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1384,1385,1381,1382,
igr2=1090,1091,
&end
#
# 73 TYR HA 74 ASP HB+ 5.50 (# 2004:25 Unique 4.28, 4.51 A)
&rst
ixpk= 2004, nxpk= 25, iat=1067, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1090,1091,
&end
#
# 2 LYS HA 74 ASP HB+ 5.50 (# 2005:25 Unique 2.69, 3.07 A)
&rst
ixpk= 2005, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1090,1091,
&end
#
# 2 LYS HA 74 ASP HB- 4.50 (# 2006:25 Unique 2.69, 3.07 A)
&rst
ixpk= 2006, nxpk= 25, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1090,1091,
&end
#
# 3 LYS HN 74 ASP HB+ 4.50 (# 2007:25 Unique 2.59, 3.04 A)
&rst
ixpk= 2007, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1090,1091,
&end
#
# 3 LYS HN 74 ASP HB- 3.50 (# 2008:25 Unique 2.59, 3.04 A)
&rst
ixpk= 2008, nxpk= 25, iat= 43, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1090,1091,
&end
#
# 74 ASP HN 74 ASP HB+ 3.50 (# 2009:25 Unique 2.37, 2.71 A)
&rst
ixpk= 2009, nxpk= 25, iat=1086, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1090,1091,
&end
#
# 0 AMB 25-2:2010 0 AMB 25-1:2010 5.50 (# 2010:25 Double Ambig)
&rst
ixpk= 2010, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 21,1377,1114,
igr2=1090,1091,1090,1091,1090,1091,
&end
#
# 75 VAL HN 74 ASP HB+ 3.50 (# 2011:25 Unique 2.59, 3.38 A)
&rst
ixpk= 2011, nxpk= 25, iat=1098, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1090,1091,
&end
#
# 75 VAL HN 75 VAL HA 3.50 (# 2012:25 Unique 2.95, 2.96 A)
&rst
ixpk= 2012, nxpk= 25, iat=1098,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 ILE HN 75 VAL HA 3.50 (# 2013:25 Unique 3.01, 3.21 A)
&rst
ixpk= 2013, nxpk= 25, iat=1392,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 VAL HB 75 VAL HA 4.50 (# 2014:25 Unique 4.32, 4.43 A)
&rst
ixpk= 2014, nxpk= 25, iat=1118,1100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 VAL HB 75 VAL HA 3.50 (# 2015:25 Unique 2.25, 2.56 A)
&rst
ixpk= 2015, nxpk= 25, iat=1102,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 GLN HB- 75 VAL HA 2.80 (# 2016:25 Unique 2.89, 3.31 A)
&rst
ixpk= 2016, nxpk= 25, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1364,1365,
&end
#
# 0 AMB 25-2:2017 75 VAL HA 5.50 (# 2017:25 Single Ambig)
&rst
ixpk= 2017, nxpk= 25, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1402,1403, 25, 26,
&end
#
# 0 AMB 25-2:2018 75 VAL HA 5.50 (# 2018:25 Single Ambig)
&rst
ixpk= 2018, nxpk= 25, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1120,1121,1122,1124,1125,1126,1402,1403,
&end
#
# 0 AMB 25-2:2019 75 VAL HA 5.50 (# 2019:25 Single Ambig)
&rst
ixpk= 2019, nxpk= 25, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1120,1121,1122,1124,1125,1126,1909,1910,1911,1913,
1914,1915,1909,1910,1911,1913,1914,1915,
&end
#
# 0 AMB 25-2:2020 75 VAL HA 3.50 (# 2020:25 Single Ambig)
&rst
ixpk= 2020, nxpk= 25, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1398,1399,1400,1104,1105,1106,1108,1109,1110,
&end
#
# 4 VAL MGX 75 VAL HA 5.50 (# 2021:25 Unique 4.76, 6.48 A)
&rst
ixpk= 2021, nxpk= 25, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 25-2:2022 75 VAL HB 4.50 (# 2022:25 Single Ambig)
&rst
ixpk= 2022, nxpk= 25, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1402,1403,1120,1121,1122,1124,1125,1126,
&end
#
# 4 VAL MGX 75 VAL MGX 4.50 (# 2025:25 Unique 2.09, 4.42 A)
&rst
ixpk= 2025, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 71, 72, 73, 75, 76, 77,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 25-2:2026 75 VAL MGX 2.80 (# 2026:25 Single Ambig)
&rst
ixpk= 2026, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1402,1403, 25, 26,1907,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 75 VAL HB 75 VAL MGX 2.80 (# 2027:25 Unique 2.29, 2.62 A)
&rst
ixpk= 2027, nxpk= 25, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 25-2:2028 75 VAL MGX 5.50 (# 2028:25 Single Ambig)
&rst
ixpk= 2028, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1396,1364,1365,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 25-2:2029 75 VAL MGX 5.50 (# 2029:25 Single Ambig)
&rst
ixpk= 2029, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1367,1368,1904,1905,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 76 VAL HN 75 VAL MGX 4.50 (# 2030:25 Unique 2.52, 4.31 A)
&rst
ixpk= 2030, nxpk= 25, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 5 MET HN 75 VAL MGX 5.50 (# 2031:25 Unique 2.93, 4.86 A)
&rst
ixpk= 2031, nxpk= 25, iat= 81, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 75 VAL HN 75 VAL MGX 2.80 (# 2032:25 Unique 2.22, 3.85 A)
&rst
ixpk= 2032, nxpk= 25, iat=1098, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 4 VAL MGX 75 VAL MGY 2.80 (# 2033:25 Unique 2.09, 4.42 A)
&rst
ixpk= 2033, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 71, 72, 73, 75, 76, 77,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 77 ILE QD1 75 VAL MGY 2.80 (# 2034:25 Unique 2.27, 5.30 A)
&rst
ixpk= 2034, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1143,1144,1145,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 25-2:2035 75 VAL MGY 4.50 (# 2035:25 Single Ambig)
&rst
ixpk= 2035, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1907, 31, 32,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 25-2:2036 75 VAL MGY 4.50 (# 2036:25 Single Ambig)
&rst
ixpk= 2036, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1396,1364,1365,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 75 VAL HB 75 VAL MGY 2.80 (# 2037:25 Unique 2.29, 2.62 A)
&rst
ixpk= 2037, nxpk= 25, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 97 GLU HG+ 75 VAL MGY 4.50 (# 2038:25 Unique 3.91, 7.44 A)
&rst
ixpk= 2038, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1438,1439,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 74 ASP HB- 75 VAL MGY 5.50 (# 2039:25 Unique 2.33, 5.60 A)
&rst
ixpk= 2039, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1090,1091,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 126 LEU HA 75 VAL MGY 5.50 (# 2040:25 Unique 5.13, 7.33 A)
&rst
ixpk= 2040, nxpk= 25, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 25-2:2041 75 VAL MGY 5.50 (# 2041:25 Single Ambig)
&rst
ixpk= 2041, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 23,1132,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 95 ILE HN 75 VAL MGY 5.50 (# 2044:25 Unique 4.28, 5.91 A)
&rst
ixpk= 2044, nxpk= 25, iat=1392, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 75 VAL HN 75 VAL MGY 4.50 (# 2045:25 Unique 2.22, 3.85 A)
&rst
ixpk= 2045, nxpk= 25, iat=1098, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 5 MET HN 75 VAL MGY 4.50 (# 2046:25 Unique 2.93, 4.86 A)
&rst
ixpk= 2046, nxpk= 25, iat= 81, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 76 VAL HN 76 VAL HB 3.50 (# 2048:25 Unique 2.67, 2.74 A)
&rst
ixpk= 2048, nxpk= 25, iat=1114,1118, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 PHE HA 76 VAL HB 5.50 (# 2049:25 Unique 3.55, 4.35 A)
&rst
ixpk= 2049, nxpk= 25, iat=1413,1118, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2050 0 AMB 25-1:2050 5.50 (# 2050:25 Double Ambig)
&rst
ixpk= 2050, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1415,1416, 254, 255,
igr2=1118, 888, 889,
&end
#
# 7 VAL MGX 76 VAL MGX 3.50 (# 2051:25 Unique 2.42, 6.57 A)
&rst
ixpk= 2051, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 124, 125, 126, 128, 129, 130,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 86 LEU HG 76 VAL MGX 5.50 (# 2052:25 Unique 4.87, 7.16 A)
&rst
ixpk= 2052, nxpk= 25, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 76 VAL HB 76 VAL MGX 2.80 (# 2053:25 Unique 2.39, 2.68 A)
&rst
ixpk= 2053, nxpk= 25, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 90 TRP HB- 76 VAL MGX 4.50 (# 2054:25 Unique 2.07, 4.67 A)
&rst
ixpk= 2054, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1310,1311,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:2056 76 VAL MGX 3.50 (# 2056:25 Single Ambig)
&rst
ixpk= 2056, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1308,1332,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 90 TRP HH2 76 VAL MGX 5.50 (# 2057:25 Unique 5.24, 6.46 A)
&rst
ixpk= 2057, nxpk= 25, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:2058 76 VAL MGX 3.50 (# 2058:25 Single Ambig)
&rst
ixpk= 2058, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1323,1419,1427,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 76 VAL HN 76 VAL MGX 5.50 (# 2059:25 Unique 3.23, 4.41 A)
&rst
ixpk= 2059, nxpk= 25, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 5 MET HN 76 VAL MGY 4.50 (# 2060:25 Unique 3.90, 5.12 A)
&rst
ixpk= 2060, nxpk= 25, iat= 81, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:2061 76 VAL MGY 5.50 (# 2061:25 Single Ambig)
&rst
ixpk= 2061, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1098, 118,1306,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:2062 76 VAL MGY 5.50 (# 2062:25 Single Ambig)
&rst
ixpk= 2062, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1065,1392,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 93 GLN HE2+ 76 VAL MGY 5.50 (# 2063:25 Unique 3.96, 6.60 A)
&rst
ixpk= 2063, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1372,1373,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:2064 76 VAL MGY 3.50 (# 2064:25 Single Ambig)
&rst
ixpk= 2064, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1323,1419,1427,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 90 TRP HH2 76 VAL MGY 4.50 (# 2065:25 Unique 5.24, 6.46 A)
&rst
ixpk= 2065, nxpk= 25, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 75 VAL HA 76 VAL MGY 4.50 (# 2068:25 Unique 3.75, 5.77 A)
&rst
ixpk= 2068, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:2069 76 VAL MGY 3.50 (# 2069:25 Single Ambig)
&rst
ixpk= 2069, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1308,1332,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 90 TRP HB+ 76 VAL MGY 5.50 (# 2070:25 Unique 2.07, 4.67 A)
&rst
ixpk= 2070, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1310,1311,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 90 TRP HB- 76 VAL MGY 4.50 (# 2071:25 Unique 2.07, 4.67 A)
&rst
ixpk= 2071, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1310,1311,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 93 GLN HG+ 76 VAL MGY 3.50 (# 2072:25 Unique 2.17, 4.24 A)
&rst
ixpk= 2072, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1367,1368,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 76 VAL HB 76 VAL MGY 2.80 (# 2073:25 Unique 2.39, 2.68 A)
&rst
ixpk= 2073, nxpk= 25, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 93 GLN HG- 76 VAL MGY 3.50 (# 2074:25 Unique 2.17, 4.24 A)
&rst
ixpk= 2074, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1367,1368,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 5 MET HG+ 76 VAL MGY 4.50 (# 2075:25 Unique 2.32, 4.69 A)
&rst
ixpk= 2075, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 88, 89,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 75 VAL MGX 76 VAL MGY 5.50 (# 2077:25 Unique 5.06, 7.50 A)
&rst
ixpk= 2077, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1104,1105,1106,1108,1109,1110,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:2078 76 VAL MGY 5.50 (# 2078:25 Single Ambig)
&rst
ixpk= 2078, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
igr1=1336,1337,1338,1340,1341,1342,1104,1105,1106,1108,
1109,1110,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 7 VAL MGX 76 VAL MGY 5.50 (# 2079:25 Unique 2.42, 6.57 A)
&rst
ixpk= 2079, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 124, 125, 126, 128, 129, 130,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 70 ALA MB 76 VAL MGY 5.50 (# 2080:25 Unique 2.51, 5.61 A)
&rst
ixpk= 2080, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1035,1036,1037,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 77 ILE QG2 77 ILE HA 3.50 (# 2081:25 Unique 2.43, 3.18 A)
&rst
ixpk= 2081, nxpk= 25, iat= -1,1132, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1136,1137,1138,
&end
#
# 77 ILE HN 77 ILE HB 3.50 (# 2082:25 Unique 2.46, 2.53 A)
&rst
ixpk= 2082, nxpk= 25, iat=1130,1134, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PHE HD 77 ILE HB 3.50 (# 2083:25 Unique 2.74, 3.84 A)
&rst
ixpk= 2083, nxpk= 25, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 106, 114,
&end
#
# 0 AMB 25-2:2084 77 ILE HB 4.50 (# 2084:25 Single Ambig)
&rst
ixpk= 2084, nxpk= 25, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1151, 83,
&end
#
# 77 ILE HA 77 ILE HB 5.50 (# 2085:25 Unique 3.01, 3.04 A)
&rst
ixpk= 2085, nxpk= 25, iat=1132,1134, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2086 77 ILE HB 5.50 (# 2086:25 Single Ambig)
&rst
ixpk= 2086, nxpk= 25, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:2087 77 ILE HB 4.50 (# 2087:25 Single Ambig)
&rst
ixpk= 2087, nxpk= 25, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1140,1141,1167,
&end
#
# 77 ILE HG1+ 77 ILE HB 3.50 (# 2088:25 Unique 2.35, 2.44 A)
&rst
ixpk= 2088, nxpk= 25, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1140,1141,
&end
#
# 77 ILE QD1 77 ILE HB 5.50 (# 2089:25 Unique 3.75, 3.97 A)
&rst
ixpk= 2089, nxpk= 25, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1143,1144,1145,
&end
#
# 77 ILE QG2 77 ILE HB 3.50 (# 2090:25 Unique 2.31, 2.63 A)
&rst
ixpk= 2090, nxpk= 25, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1136,1137,1138,
&end
#
# 77 ILE QG2 77 ILE HG1- 5.50 (# 2091:25 Unique 2.38, 3.54 A)
&rst
ixpk= 2091, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1136,1137,1138,
igr2=1140,1141,
&end
#
# 77 ILE QG2 77 ILE HG1+ 4.50 (# 2092:25 Unique 2.38, 3.54 A)
&rst
ixpk= 2092, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1136,1137,1138,
igr2=1140,1141,
&end
#
# 77 ILE QD1 77 ILE HG1- 3.50 (# 2093:25 Unique 2.32, 2.66 A)
&rst
ixpk= 2093, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1143,1144,1145,
igr2=1140,1141,
&end
#
# 77 ILE QD1 77 ILE HG1+ 3.50 (# 2094:25 Unique 2.32, 2.66 A)
&rst
ixpk= 2094, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1143,1144,1145,
igr2=1140,1141,
&end
#
# 77 ILE HB 77 ILE HG1- 3.50 (# 2097:25 Unique 2.35, 2.44 A)
&rst
ixpk= 2097, nxpk= 25, iat=1134, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1140,1141,
&end
#
# 77 ILE HB 77 ILE HG1+ 3.50 (# 2098:25 Unique 2.35, 2.44 A)
&rst
ixpk= 2098, nxpk= 25, iat=1134, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1140,1141,
&end
#
# 77 ILE HA 77 ILE HG1- 5.50 (# 2099:25 Unique 3.08, 3.55 A)
&rst
ixpk= 2099, nxpk= 25, iat=1132, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1140,1141,
&end
#
# 6 PHE HD 77 ILE HG1- 5.50 (# 2100:25 Unique 2.83, 4.60 A)
&rst
ixpk= 2100, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 114,
igr2=1140,1141,
&end
#
# 6 PHE HD 77 ILE HG1+ 5.50 (# 2101:25 Unique 2.83, 4.60 A)
&rst
ixpk= 2101, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 114,
igr2=1140,1141,
&end
#
# 0 AMB 25-2:2102 77 ILE HG1- 5.50 (# 2102:25 Single Ambig)
&rst
ixpk= 2102, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1130, 81,
igr2=1140,1141,
&end
#
# 99 TRP HE1 77 ILE QD1 5.50 (# 2103:25 Unique 3.45, 6.24 A)
&rst
ixpk= 2103, nxpk= 25, iat=1468, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1143,1144,1145,
&end
#
# 78 SER HN 77 ILE QD1 5.50 (# 2104:25 Unique 3.93, 5.05 A)
&rst
ixpk= 2104, nxpk= 25, iat=1149, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1143,1144,1145,
&end
#
# 97 GLU HN 77 ILE QD1 5.50 (# 2105:25 Unique 1.93, 3.40 A)
&rst
ixpk= 2105, nxpk= 25, iat=1431, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1143,1144,1145,
&end
#
# 99 TRP HZ2 77 ILE QD1 4.50 (# 2106:25 Unique 3.47, 4.70 A)
&rst
ixpk= 2106, nxpk= 25, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1143,1144,1145,
&end
#
# 0 AMB 25-2:2107 77 ILE QD1 4.50 (# 2107:25 Single Ambig)
&rst
ixpk= 2107, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 106, 114,1466,
igr2=1143,1144,1145,
&end
#
# 77 ILE HA 77 ILE QD1 3.50 (# 2108:25 Unique 2.17, 3.18 A)
&rst
ixpk= 2108, nxpk= 25, iat=1132, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1143,1144,1145,
&end
#
# 97 GLU HG+ 77 ILE QD1 5.50 (# 2109:25 Unique 2.43, 3.84 A)
&rst
ixpk= 2109, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1438,1439,
igr2=1143,1144,1145,
&end
#
# 0 AMB 25-2:2110 77 ILE QD1 3.50 (# 2110:25 Single Ambig)
&rst
ixpk= 2110, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1435,1436,1438,1439,
igr2=1143,1144,1145,
&end
#
# 97 GLU HB- 77 ILE QD1 3.50 (# 2111:25 Unique 2.08, 3.54 A)
&rst
ixpk= 2111, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1435,1436,
igr2=1143,1144,1145,
&end
#
# 77 ILE HB 77 ILE QD1 4.50 (# 2112:25 Unique 3.75, 3.97 A)
&rst
ixpk= 2112, nxpk= 25, iat=1134, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1143,1144,1145,
&end
#
# 77 ILE HG1+ 77 ILE QD1 3.50 (# 2113:25 Unique 2.32, 2.66 A)
&rst
ixpk= 2113, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1140,1141,
igr2=1143,1144,1145,
&end
#
# 77 ILE QD1 77 ILE QG2 2.80 (# 2114:25 Unique 2.34, 3.73 A)
&rst
ixpk= 2114, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1143,1144,1145,
igr2=1136,1137,1138,
&end
#
# 77 ILE HG1+ 77 ILE QG2 4.50 (# 2115:25 Unique 2.38, 3.54 A)
&rst
ixpk= 2115, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1140,1141,
igr2=1136,1137,1138,
&end
#
# 0 AMB 25-2:2116 77 ILE QG2 4.50 (# 2116:25 Single Ambig)
&rst
ixpk= 2116, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,
igr2=1136,1137,1138,
&end
#
# 79 LEU HB- 77 ILE QG2 4.50 (# 2117:25 Unique 3.90, 6.06 A)
&rst
ixpk= 2117, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1164,1165,
igr2=1136,1137,1138,
&end
#
# 0 AMB 25-2:2118 77 ILE QG2 5.50 (# 2118:25 Single Ambig)
&rst
ixpk= 2118, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1438,1439,1904,1905,
igr2=1136,1137,1138,
&end
#
# 77 ILE HA 77 ILE QG2 3.50 (# 2119:25 Unique 2.43, 3.18 A)
&rst
ixpk= 2119, nxpk= 25, iat=1132, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1136,1137,1138,
&end
#
# 0 AMB 25-2:2120 77 ILE QG2 5.50 (# 2120:25 Single Ambig)
&rst
ixpk= 2120, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1448,1151,
igr2=1136,1137,1138,
&end
#
# 80 CYS HN 77 ILE QG2 5.50 (# 2121:25 Unique 5.65, 6.84 A)
&rst
ixpk= 2121, nxpk= 25, iat=1179, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1136,1137,1138,
&end
#
# 79 LEU HN 77 ILE QG2 5.50 (# 2122:25 Unique 2.18, 4.89 A)
&rst
ixpk= 2122, nxpk= 25, iat=1160, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1136,1137,1138,
&end
#
# 78 SER HN 77 ILE QG2 5.50 (# 2123:25 Unique 2.53, 3.59 A)
&rst
ixpk= 2123, nxpk= 25, iat=1149, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1136,1137,1138,
&end
#
# 79 LEU HA 77 ILE QG2 5.50 (# 2124:25 Unique 3.20, 4.81 A)
&rst
ixpk= 2124, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1136,1137,1138,
&end
#
# 7 VAL MGY 36 GLY HA- 5.50 (# 2130:25 Unique 2.24, 6.17 A)
&rst
ixpk= 2130, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 124, 125, 126, 128, 129, 130,
igr2= 541, 542,
&end
#
# 85 ASN HD2+ 85 ASN HB- 5.50 (# 2132:25 Unique 2.34, 3.30 A)
&rst
ixpk= 2132, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1239,1240,
igr2=1234,1235,
&end
#
# 125 ASN HD2+ 125 ASN HB- 2.80 (# 2133:25 Unique 2.29, 3.41 A)
&rst
ixpk= 2133, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1895,1896,
igr2=1890,1891,
&end
#
# 84 VAL HA 85 ASN HB+ 5.50 (# 2134:25 Unique 4.26, 4.60 A)
&rst
ixpk= 2134, nxpk= 25, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 37 LEU MDY 85 ASN HB+ 4.50 (# 2136:25 Unique 2.38, 5.57 A)
&rst
ixpk= 2136, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 555, 556, 557, 559, 560, 561,
igr2=1234,1235,
&end
#
# 37 LEU MDY 85 ASN HB- 4.50 (# 2137:25 Unique 2.38, 5.57 A)
&rst
ixpk= 2137, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 555, 556, 557, 559, 560, 561,
igr2=1234,1235,
&end
#
# 86 LEU HN 86 LEU HA 5.50 (# 2138:25 Unique 2.73, 2.92 A)
&rst
ixpk= 2138, nxpk= 25, iat=1244,1246, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 PRO HD+ 86 LEU HA 2.80 (# 2139:25 Unique 2.02, 2.43 A)
&rst
ixpk= 2139, nxpk= 25, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1264,1265,
&end
#
# 87 PRO HD- 86 LEU HA 2.80 (# 2141:25 Unique 2.02, 2.43 A)
&rst
ixpk= 2141, nxpk= 25, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1264,1265,
&end
#
# 0 AMB 25-2:2142 86 LEU HA 4.50 (# 2142:25 Single Ambig)
&rst
ixpk= 2142, nxpk= 25, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 975, 976,1267,1268,
&end
#
# 86 LEU HB+ 86 LEU HA 3.50 (# 2143:25 Unique 2.30, 2.61 A)
&rst
ixpk= 2143, nxpk= 25, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1248,1249,
&end
#
# 86 LEU HB- 86 LEU HA 3.50 (# 2144:25 Unique 2.30, 2.61 A)
&rst
ixpk= 2144, nxpk= 25, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1248,1249,
&end
#
# 37 LEU MDX 86 LEU HA 5.50 (# 2145:25 Unique 2.53, 4.85 A)
&rst
ixpk= 2145, nxpk= 25, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 86 LEU HN 86 LEU HB+ 3.50 (# 2146:25 Unique 2.40, 3.06 A)
&rst
ixpk= 2146, nxpk= 25, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1248,1249,
&end
#
# 86 LEU HN 86 LEU HB- 4.50 (# 2147:25 Unique 2.40, 3.06 A)
&rst
ixpk= 2147, nxpk= 25, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1248,1249,
&end
#
# 90 TRP HD1 86 LEU HB- 5.50 (# 2148:25 Unique 3.03, 4.98 A)
&rst
ixpk= 2148, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1248,1249,
&end
#
# 86 LEU HA 86 LEU HB+ 4.50 (# 2149:25 Unique 2.30, 2.61 A)
&rst
ixpk= 2149, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1248,1249,
&end
#
# 86 LEU HA 86 LEU HB- 3.50 (# 2150:25 Unique 2.30, 2.61 A)
&rst
ixpk= 2150, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1248,1249,
&end
#
# 0 AMB 25-2:2151 86 LEU HB- 5.50 (# 2151:25 Single Ambig)
&rst
ixpk= 2151, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1264,1265,1209,1210,
igr2=1248,1249,
&end
#
# 87 PRO HD- 86 LEU HB- 4.50 (# 2152:25 Unique 2.34, 4.29 A)
&rst
ixpk= 2152, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1264,1265,
igr2=1248,1249,
&end
#
# 0 AMB 25-2:2155 86 LEU HB- 3.50 (# 2155:25 Single Ambig)
&rst
ixpk= 2155, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1253,1254,1255,1257,1258,1259, 955, 956, 957,
igr2=1248,1249,
&end
#
# 86 LEU MDY 86 LEU HB- 3.50 (# 2156:25 Unique 2.37, 3.33 A)
&rst
ixpk= 2156, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1248,1249,
&end
#
# 86 LEU MDY 86 LEU HB+ 4.50 (# 2157:25 Unique 2.37, 3.33 A)
&rst
ixpk= 2157, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1248,1249,
&end
#
# 91 VAL MGX 86 LEU HB+ 5.50 (# 2158:25 Unique 3.72, 6.52 A)
&rst
ixpk= 2158, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1336,1337,1338,1340,1341,1342,
igr2=1248,1249,
&end
#
# 91 VAL MGX 86 LEU HB- 5.50 (# 2159:25 Unique 3.72, 6.52 A)
&rst
ixpk= 2159, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1336,1337,1338,1340,1341,1342,
igr2=1248,1249,
&end
#
# 65 ILE QD1 86 LEU HB- 5.50 (# 2160:25 Unique 2.33, 5.90 A)
&rst
ixpk= 2160, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 962, 963, 964,
igr2=1248,1249,
&end
#
# 86 LEU HN 86 LEU HG 5.50 (# 2161:25 Unique 3.70, 4.14 A)
&rst
ixpk= 2161, nxpk= 25, iat=1244,1251, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 LEU HN 86 LEU MDX 5.50 (# 2162:25 Unique 2.20, 4.87 A)
&rst
ixpk= 2162, nxpk= 25, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 86 LEU HA 86 LEU MDX 4.50 (# 2165:25 Unique 2.24, 4.25 A)
&rst
ixpk= 2165, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 78 SER HB- 86 LEU MDX 4.50 (# 2168:25 Unique 3.25, 6.46 A)
&rst
ixpk= 2168, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1153,1154,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 90 TRP HB+ 86 LEU MDX 3.50 (# 2169:25 Unique 2.29, 3.84 A)
&rst
ixpk= 2169, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1310,1311,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 90 TRP HB- 86 LEU MDX 4.50 (# 2170:25 Unique 2.29, 3.84 A)
&rst
ixpk= 2170, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1310,1311,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 86 LEU HG 86 LEU MDX 2.80 (# 2172:25 Unique 2.39, 2.67 A)
&rst
ixpk= 2172, nxpk= 25, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 86 LEU HB- 86 LEU MDX 2.80 (# 2173:25 Unique 2.37, 3.33 A)
&rst
ixpk= 2173, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1248,1249,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 91 VAL MGX 86 LEU MDX 3.50 (# 2174:25 Unique 2.35, 5.70 A)
&rst
ixpk= 2174, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1336,1337,1338,1340,1341,1342,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 65 ILE QD1 86 LEU MDY 4.50 (# 2175:25 Unique 2.33, 5.03 A)
&rst
ixpk= 2175, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 962, 963, 964,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 86 LEU HB- 86 LEU MDY 2.80 (# 2176:25 Unique 2.37, 3.33 A)
&rst
ixpk= 2176, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1248,1249,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 86 LEU HG 86 LEU MDY 2.80 (# 2177:25 Unique 2.39, 2.67 A)
&rst
ixpk= 2177, nxpk= 25, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 87 PRO HG- 86 LEU MDY 5.50 (# 2179:25 Unique 4.53, 7.28 A)
&rst
ixpk= 2179, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1267,1268,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 90 TRP HB- 86 LEU MDY 4.50 (# 2181:25 Unique 2.29, 3.84 A)
&rst
ixpk= 2181, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1310,1311,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 87 PRO HD- 86 LEU MDY 4.50 (# 2182:25 Unique 2.20, 5.30 A)
&rst
ixpk= 2182, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1264,1265,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 86 LEU HN 86 LEU MDY 5.50 (# 2186:25 Unique 2.20, 4.87 A)
&rst
ixpk= 2186, nxpk= 25, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 89 GLU HN 88 PRO HA 5.50 (# 2187:25 Unique 3.45, 3.57 A)
&rst
ixpk= 2187, nxpk= 25, iat=1291,1287, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 TRP HN 88 PRO HA 5.50 (# 2188:25 Unique 3.53, 3.58 A)
&rst
ixpk= 2188, nxpk= 25, iat=1306,1287, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ALA HN 44 PRO HA 4.50 (# 2189:25 Unique 3.63, 4.11 A)
&rst
ixpk= 2189, nxpk= 25, iat= 687, 669, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL HN 88 PRO HA 4.50 (# 2190:25 Unique 2.78, 3.12 A)
&rst
ixpk= 2190, nxpk= 25, iat=1330,1287, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2191 88 PRO HA 4.50 (# 2191:25 Single Ambig)
&rst
ixpk= 2191, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1278,1279,1209,1210,
&end
#
# 88 PRO HB+ 88 PRO HA 2.80 (# 2192:25 Unique 2.30, 2.61 A)
&rst
ixpk= 2192, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1284,1285,
&end
#
# 0 AMB 25-2:2193 0 AMB 25-1:2193 3.50 (# 2193:25 Double Ambig)
&rst
ixpk= 2193, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 666, 667,1284,1285,1281,1282,
igr2= 669,1287,
&end
#
# 0 AMB 25-2:2194 88 PRO HA 4.50 (# 2194:25 Single Ambig)
&rst
ixpk= 2194, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1270,1271,1298,1299,
&end
#
# 0 AMB 25-2:2195 0 AMB 25-1:2195 4.50 (# 2195:25 Double Ambig)
&rst
ixpk= 2195, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1334, 691, 692, 693,
igr2=1287, 669,
&end
#
# 92 THR MG2 88 PRO HA 5.50 (# 2196:25 Unique 3.83, 5.15 A)
&rst
ixpk= 2196, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1352,1353,1354,
&end
#
# 91 VAL MGX 88 PRO HA 5.50 (# 2197:25 Unique 2.04, 3.75 A)
&rst
ixpk= 2197, nxpk= 25, iat= -1,1287, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 47 ILE HG1- 44 PRO HA 5.50 (# 2198:25 Unique 3.69, 4.62 A)
&rst
ixpk= 2198, nxpk= 25, iat= -1, 669, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 707, 708,
&end
#
# 44 PRO HD- 44 PRO HB+ 4.50 (# 2199:25 Unique 2.65, 3.65 A)
&rst
ixpk= 2199, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 660, 661,
igr2= 666, 667,
&end
#
# 44 PRO HD- 44 PRO HB- 3.50 (# 2200:25 Unique 2.65, 3.65 A)
&rst
ixpk= 2200, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 660, 661,
igr2= 666, 667,
&end
#
# 0 AMB 25-2:2203 25 LEU HG 5.50 (# 2203:25 Single Ambig)
&rst
ixpk= 2203, nxpk= 25, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 414, 415, 359,
&end
#
# 44 PRO HB+ 44 PRO HD- 4.50 (# 2205:25 Unique 2.65, 3.65 A)
&rst
ixpk= 2205, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 666, 667,
igr2= 660, 661,
&end
#
# 0 AMB 25-2:2206 0 AMB 25-1:2206 2.80 (# 2206:25 Double Ambig)
&rst
ixpk= 2206, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 663, 664, 666, 667,
igr2= 660, 661, 660, 661,
&end
#
# 44 PRO HB+ 44 PRO HD+ 4.50 (# 2207:25 Unique 2.65, 3.65 A)
&rst
ixpk= 2207, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 666, 667,
igr2= 660, 661,
&end
#
# 43 HIS HA 44 PRO HD+ 2.80 (# 2210:25 Unique 2.24, 2.47 A)
&rst
ixpk= 2210, nxpk= 25, iat= 644, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 660, 661,
&end
#
# 44 PRO HA 44 PRO HD+ 4.50 (# 2211:25 Unique 3.18, 3.72 A)
&rst
ixpk= 2211, nxpk= 25, iat= 669, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 660, 661,
&end
#
# 44 PRO HA 44 PRO HD- 5.50 (# 2212:25 Unique 3.18, 3.72 A)
&rst
ixpk= 2212, nxpk= 25, iat= 669, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 660, 661,
&end
#
# 43 HIS HB- 44 PRO HD+ 5.50 (# 2213:25 Unique 2.14, 4.16 A)
&rst
ixpk= 2213, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 646, 647,
igr2= 660, 661,
&end
#
# 43 HIS HB+ 44 PRO HD- 5.50 (# 2214:25 Unique 2.14, 4.16 A)
&rst
ixpk= 2214, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 646, 647,
igr2= 660, 661,
&end
#
# 70 ALA MB 89 GLU HA 4.50 (# 2215:25 Unique 3.94, 4.90 A)
&rst
ixpk= 2215, nxpk= 25, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1035,1036,1037,
&end
#
# 92 THR MG2 89 GLU HA 3.50 (# 2216:25 Unique 2.20, 3.80 A)
&rst
ixpk= 2216, nxpk= 25, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1352,1353,1354,
&end
#
# 89 GLU HB+ 89 GLU HA 2.80 (# 2217:25 Unique 2.39, 2.46 A)
&rst
ixpk= 2217, nxpk= 25, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1295,1296,
&end
#
# 89 GLU HB- 89 GLU HA 2.80 (# 2218:25 Unique 2.39, 2.46 A)
&rst
ixpk= 2218, nxpk= 25, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1295,1296,
&end
#
# 89 GLU HG+ 89 GLU HA 3.50 (# 2219:25 Unique 3.39, 3.84 A)
&rst
ixpk= 2219, nxpk= 25, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1298,1299,
&end
#
# 93 GLN HE2- 89 GLU HA 5.50 (# 2221:25 Unique 3.38, 4.24 A)
&rst
ixpk= 2221, nxpk= 25, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1372,1373,
&end
#
# 89 GLU HN 89 GLU HA 2.80 (# 2223:25 Unique 2.73, 2.81 A)
&rst
ixpk= 2223, nxpk= 25, iat=1291,1293, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 GLU HN 89 GLU HB- 3.50 (# 2224:25 Unique 2.39, 3.06 A)
&rst
ixpk= 2224, nxpk= 25, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1295,1296,
&end
#
# 89 GLU HN 89 GLU HB+ 3.50 (# 2225:25 Unique 2.39, 3.06 A)
&rst
ixpk= 2225, nxpk= 25, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1295,1296,
&end
#
# 90 TRP HN 89 GLU HB- 4.50 (# 2226:25 Unique 2.30, 4.20 A)
&rst
ixpk= 2226, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1295,1296,
&end
#
# 93 GLN HE2+ 89 GLU HB- 5.50 (# 2227:25 Unique 2.74, 4.31 A)
&rst
ixpk= 2227, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1372,1373,
igr2=1295,1296,
&end
#
# 0 AMB 25-2:2228 0 AMB 25-1:2228 5.50 (# 2228:25 Double Ambig)
&rst
ixpk= 2228, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1372,1373,1471,
igr2=1295,1296,1907,
&end
#
# 0 AMB 25-2:2229 89 GLU HB- 5.50 (# 2229:25 Single Ambig)
&rst
ixpk= 2229, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1314,1330,
igr2=1295,1296,
&end
#
# 89 GLU HA 89 GLU HB- 2.80 (# 2230:25 Unique 2.39, 2.46 A)
&rst
ixpk= 2230, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1295,1296,
&end
#
# 89 GLU HA 89 GLU HB+ 2.80 (# 2231:25 Unique 2.39, 2.46 A)
&rst
ixpk= 2231, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1295,1296,
&end
#
# 0 AMB 25-2:2232 89 GLU HB- 5.50 (# 2232:25 Single Ambig)
&rst
ixpk= 2232, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1308,1043,
igr2=1295,1296,
&end
#
# 89 GLU HG- 89 GLU HB+ 2.80 (# 2233:25 Unique 2.25, 2.74 A)
&rst
ixpk= 2233, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1298,1299,
igr2=1295,1296,
&end
#
# 70 ALA MB 89 GLU HB+ 3.50 (# 2235:25 Unique 2.16, 4.22 A)
&rst
ixpk= 2235, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1035,1036,1037,
igr2=1295,1296,
&end
#
# 23 LYS HE+ 19 GLU HG+ 5.50 (# 2236:25 Unique 3.20, 5.30 A)
&rst
ixpk= 2236, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 370, 371,
igr2= 312, 313,
&end
#
# 0 AMB 25-2:2237 0 AMB 25-1:2237 4.50 (# 2237:25 Double Ambig)
&rst
ixpk= 2237, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 370, 371,1961,1962,
igr2= 312, 313,1438,1439,
&end
#
# 90 TRP HN 89 GLU HG+ 3.50 (# 2238:25 Unique 2.74, 3.31 A)
&rst
ixpk= 2238, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1298,1299,
&end
#
# 90 TRP HN 89 GLU HG- 3.50 (# 2239:25 Unique 2.74, 3.31 A)
&rst
ixpk= 2239, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1298,1299,
&end
#
# 93 GLN HE2+ 90 TRP HA 5.50 (# 2240:25 Unique 3.34, 4.37 A)
&rst
ixpk= 2240, nxpk= 25, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1372,1373,
&end
#
# 93 GLN HE2- 90 TRP HA 5.50 (# 2241:25 Unique 3.34, 4.37 A)
&rst
ixpk= 2241, nxpk= 25, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1372,1373,
&end
#
# 90 TRP HB+ 90 TRP HA 2.80 (# 2242:25 Unique 2.49, 2.78 A)
&rst
ixpk= 2242, nxpk= 25, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1310,1311,
&end
#
# 90 TRP HB- 90 TRP HA 3.50 (# 2243:25 Unique 2.49, 2.78 A)
&rst
ixpk= 2243, nxpk= 25, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1310,1311,
&end
#
# 93 GLN HG+ 90 TRP HA 4.50 (# 2244:25 Unique 2.81, 3.57 A)
&rst
ixpk= 2244, nxpk= 25, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1367,1368,
&end
#
# 93 GLN HG- 90 TRP HA 4.50 (# 2245:25 Unique 2.81, 3.57 A)
&rst
ixpk= 2245, nxpk= 25, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1367,1368,
&end
#
# 76 VAL MGY 90 TRP HA 3.50 (# 2246:25 Unique 2.53, 3.93 A)
&rst
ixpk= 2246, nxpk= 25, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1120,1121,1122,1124,1125,1126,
&end
#
# 76 VAL MGX 90 TRP HA 5.50 (# 2247:25 Unique 2.53, 3.93 A)
&rst
ixpk= 2247, nxpk= 25, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1120,1121,1122,1124,1125,1126,
&end
#
# 91 VAL MGX 90 TRP HB+ 5.50 (# 2248:25 Unique 2.73, 5.01 A)
&rst
ixpk= 2248, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1336,1337,1338,1340,1341,1342,
igr2=1310,1311,
&end
#
# 91 VAL MGX 90 TRP HB- 5.50 (# 2249:25 Unique 2.73, 5.01 A)
&rst
ixpk= 2249, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1336,1337,1338,1340,1341,1342,
igr2=1310,1311,
&end
#
# 70 ALA MB 90 TRP HB+ 5.50 (# 2250:25 Unique 4.24, 5.26 A)
&rst
ixpk= 2250, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1035,1036,1037,
igr2=1310,1311,
&end
#
# 70 ALA MB 90 TRP HB- 5.50 (# 2251:25 Unique 4.24, 5.26 A)
&rst
ixpk= 2251, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1035,1036,1037,
igr2=1310,1311,
&end
#
# 86 LEU MDY 90 TRP HB+ 4.50 (# 2252:25 Unique 2.29, 3.84 A)
&rst
ixpk= 2252, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1310,1311,
&end
#
# 86 LEU MDX 90 TRP HB+ 3.50 (# 2253:25 Unique 2.29, 3.84 A)
&rst
ixpk= 2253, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1310,1311,
&end
#
# 86 LEU MDY 90 TRP HB- 4.50 (# 2254:25 Unique 2.29, 3.84 A)
&rst
ixpk= 2254, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1310,1311,
&end
#
# 86 LEU MDX 90 TRP HB- 3.50 (# 2255:25 Unique 2.29, 3.84 A)
&rst
ixpk= 2255, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1310,1311,
&end
#
# 76 VAL MGX 90 TRP HB+ 3.50 (# 2256:25 Unique 2.07, 4.67 A)
&rst
ixpk= 2256, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1310,1311,
&end
#
# 76 VAL MGX 90 TRP HB- 4.50 (# 2257:25 Unique 2.07, 4.67 A)
&rst
ixpk= 2257, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1310,1311,
&end
#
# 76 VAL MGY 90 TRP HB+ 5.50 (# 2258:25 Unique 2.07, 4.67 A)
&rst
ixpk= 2258, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1310,1311,
&end
#
# 76 VAL MGY 90 TRP HB- 4.50 (# 2259:25 Unique 2.07, 4.67 A)
&rst
ixpk= 2259, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1310,1311,
&end
#
# 0 AMB 25-2:2260 0 AMB 25-1:2260 5.50 (# 2260:25 Double Ambig)
&rst
ixpk= 2260, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1248,1249,1295,1296,
igr2=1310,1311,1310,1311,
&end
#
# 0 AMB 25-2:2261 90 TRP HB- 4.50 (# 2261:25 Single Ambig)
&rst
ixpk= 2261, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1248,1249,1295,1296,
igr2=1310,1311,
&end
#
# 90 TRP HA 90 TRP HB+ 3.50 (# 2264:25 Unique 2.49, 2.78 A)
&rst
ixpk= 2264, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1310,1311,
&end
#
# 0 AMB 25-2:2265 0 AMB 25-1:2265 3.50 (# 2265:25 Double Ambig)
&rst
ixpk= 2265, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1330,1314,
igr2=1310,1311,1310,1311,
&end
#
# 90 TRP HE3 90 TRP HB+ 4.50 (# 2266:25 Unique 2.60, 3.48 A)
&rst
ixpk= 2266, nxpk= 25, iat=1325, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1310,1311,
&end
#
# 90 TRP HE3 90 TRP HB- 4.50 (# 2267:25 Unique 2.60, 3.48 A)
&rst
ixpk= 2267, nxpk= 25, iat=1325, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1310,1311,
&end
#
# 78 SER HB+ 91 VAL HA 5.50 (# 2268:25 Unique 3.96, 5.87 A)
&rst
ixpk= 2268, nxpk= 25, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1153,1154,
&end
#
# 96 PHE HB+ 91 VAL HA 3.50 (# 2269:25 Unique 2.96, 4.10 A)
&rst
ixpk= 2269, nxpk= 25, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1415,1416,
&end
#
# 96 PHE HB- 91 VAL HA 4.50 (# 2270:25 Unique 2.96, 4.10 A)
&rst
ixpk= 2270, nxpk= 25, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1415,1416,
&end
#
# 76 VAL HB 91 VAL HA 5.50 (# 2271:25 Unique 3.58, 4.18 A)
&rst
ixpk= 2271, nxpk= 25, iat=1118,1332, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 VAL HB 91 VAL HA 2.80 (# 2272:25 Unique 2.26, 2.38 A)
&rst
ixpk= 2272, nxpk= 25, iat=1334,1332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:2273 91 VAL MGX 5.50 (# 2273:25 Single Ambig)
&rst
ixpk= 2273, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1200,1201,1153,1154,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 90 TRP HB+ 91 VAL MGX 5.50 (# 2274:25 Unique 2.73, 5.01 A)
&rst
ixpk= 2274, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1310,1311,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 90 TRP HB- 91 VAL MGX 5.50 (# 2275:25 Unique 2.73, 5.01 A)
&rst
ixpk= 2275, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1310,1311,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 86 LEU HB- 91 VAL MGX 5.50 (# 2276:25 Unique 3.72, 6.52 A)
&rst
ixpk= 2276, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1248,1249,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 91 VAL HB 91 VAL MGY 2.80 (# 2278:25 Unique 2.38, 2.65 A)
&rst
ixpk= 2278, nxpk= 25, iat=1334, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 92 THR MG2 91 VAL MGY 3.50 (# 2280:25 Unique 2.35, 6.07 A)
&rst
ixpk= 2280, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1352,1353,1354,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 90 TRP HB+ 91 VAL MGY 5.50 (# 2282:25 Unique 2.73, 5.01 A)
&rst
ixpk= 2282, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1310,1311,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 90 TRP HN 91 VAL MGY 5.50 (# 2283:25 Unique 3.57, 5.10 A)
&rst
ixpk= 2283, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 96 PHE HB+ 92 THR HA 5.50 (# 2284:25 Unique 3.19, 3.75 A)
&rst
ixpk= 2284, nxpk= 25, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1415,1416,
&end
#
# 0 AMB 25-2:2285 0 AMB 25-1:2285 4.50 (# 2285:25 Double Ambig)
&rst
ixpk= 2285, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1293, 867, 868,1379, 280,
igr2=1348, 846,
&end
#
# 0 AMB 25-2:2286 92 THR HA 5.50 (# 2286:25 Single Ambig)
&rst
ixpk= 2286, nxpk= 25, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1364,1365,1367,1368,
&end
#
# 93 GLN HN 92 THR HB 5.50 (# 2287:25 Unique 2.52, 4.20 A)
&rst
ixpk= 2287, nxpk= 25, iat=1360,1350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 THR HN 92 THR HB 4.50 (# 2288:25 Unique 2.82, 3.40 A)
&rst
ixpk= 2288, nxpk= 25, iat=1346,1350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL MGY 92 THR HB 5.50 (# 2290:25 Unique 2.93, 6.45 A)
&rst
ixpk= 2290, nxpk= 25, iat= -1,1350, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 0 AMB 25-2:2292 114 THR MG2 5.50 (# 2292:25 Single Ambig)
&rst
ixpk= 2292, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1761,1754,
igr2=1706,1707,1708,
&end
#
# 119 VAL HN 114 THR MG2 5.50 (# 2293:25 Unique 5.78, 6.90 A)
&rst
ixpk= 2293, nxpk= 25, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1706,1707,1708,
&end
#
# 41 ARG HD+ 61 THR MG2 5.50 (# 2296:25 Unique 3.18, 6.54 A)
&rst
ixpk= 2296, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 612, 613,
igr2= 904, 905, 906,
&end
#
# 118 GLN HG- 114 THR MG2 3.50 (# 2298:25 Unique 2.19, 3.64 A)
&rst
ixpk= 2298, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1768,1769,
igr2=1706,1707,1708,
&end
#
# 118 GLN HB- 114 THR MG2 4.50 (# 2299:25 Unique 3.72, 5.43 A)
&rst
ixpk= 2299, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1765,1766,
igr2=1706,1707,1708,
&end
#
# 118 GLN HG+ 114 THR MG2 2.80 (# 2300:25 Unique 2.19, 3.64 A)
&rst
ixpk= 2300, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1768,1769,
igr2=1706,1707,1708,
&end
#
# 111 VAL HA 114 THR MG2 4.50 (# 2302:25 Unique 3.64, 4.20 A)
&rst
ixpk= 2302, nxpk= 25, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1706,1707,1708,
&end
#
# 115 VAL HA 114 THR MG2 3.50 (# 2303:25 Unique 2.96, 4.17 A)
&rst
ixpk= 2303, nxpk= 25, iat=1716, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1706,1707,1708,
&end
#
# 114 THR HA 114 THR MG2 2.80 (# 2304:25 Unique 2.73, 3.38 A)
&rst
ixpk= 2304, nxpk= 25, iat=1702, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1706,1707,1708,
&end
#
# 89 GLU HA 92 THR MG2 3.50 (# 2305:25 Unique 2.20, 3.80 A)
&rst
ixpk= 2305, nxpk= 25, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1352,1353,1354,
&end
#
# 93 GLN HN 93 GLN HA 2.80 (# 2306:25 Unique 2.24, 2.77 A)
&rst
ixpk= 2306, nxpk= 25, iat=1360,1362, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 GLN HE2+ 93 GLN HA 5.50 (# 2307:25 Unique 2.77, 3.47 A)
&rst
ixpk= 2307, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1372,1373,
&end
#
# 93 GLN HE2- 93 GLN HA 5.50 (# 2308:25 Unique 2.77, 3.47 A)
&rst
ixpk= 2308, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1372,1373,
&end
#
# 0 AMB 25-2:2309 93 GLN HA 5.50 (# 2309:25 Single Ambig)
&rst
ixpk= 2309, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1379,1293,
&end
#
# 0 AMB 25-2:2311 93 GLN HA 2.80 (# 2311:25 Single Ambig)
&rst
ixpk= 2311, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1364,1365,1367,1368,
&end
#
# 93 GLN HG- 93 GLN HA 3.50 (# 2312:25 Unique 2.91, 3.35 A)
&rst
ixpk= 2312, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1367,1368,
&end
#
# 93 GLN HB- 93 GLN HA 2.80 (# 2313:25 Unique 2.40, 2.81 A)
&rst
ixpk= 2313, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1364,1365,
&end
#
# 76 VAL MGY 93 GLN HA 5.50 (# 2314:25 Unique 5.31, 7.00 A)
&rst
ixpk= 2314, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1120,1121,1122,1124,1125,1126,
&end
#
# 92 THR MG2 93 GLN HA 5.50 (# 2315:25 Unique 4.70, 6.15 A)
&rst
ixpk= 2315, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1352,1353,1354,
&end
#
# 93 GLN HA 93 GLN HB+ 3.50 (# 2316:25 Unique 2.40, 2.81 A)
&rst
ixpk= 2316, nxpk= 25, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1364,1365,
&end
#
# 93 GLN HA 93 GLN HB- 3.50 (# 2317:25 Unique 2.40, 2.81 A)
&rst
ixpk= 2317, nxpk= 25, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1364,1365,
&end
#
# 0 AMB 25-2:2318 93 GLN HB- 3.50 (# 2318:25 Single Ambig)
&rst
ixpk= 2318, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1377,1114,
igr2=1364,1365,
&end
#
# 93 GLN HN 93 GLN HB- 4.50 (# 2319:25 Unique 2.26, 3.22 A)
&rst
ixpk= 2319, nxpk= 25, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1364,1365,
&end
#
# 93 GLN HN 93 GLN HB+ 4.50 (# 2320:25 Unique 2.26, 3.22 A)
&rst
ixpk= 2320, nxpk= 25, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1364,1365,
&end
#
# 93 GLN HE2+ 93 GLN HB+ 5.50 (# 2321:25 Unique 4.08, 4.76 A)
&rst
ixpk= 2321, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1372,1373,
igr2=1364,1365,
&end
#
# 76 VAL MGY 93 GLN HB+ 4.50 (# 2324:25 Unique 2.73, 5.27 A)
&rst
ixpk= 2324, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1364,1365,
&end
#
# 76 VAL MGY 93 GLN HB- 4.50 (# 2325:25 Unique 2.73, 5.27 A)
&rst
ixpk= 2325, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1364,1365,
&end
#
# 70 ALA MB 93 GLN HG+ 4.50 (# 2326:25 Unique 2.48, 4.09 A)
&rst
ixpk= 2326, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1035,1036,1037,
igr2=1367,1368,
&end
#
# 70 ALA MB 93 GLN HG- 5.50 (# 2327:25 Unique 2.48, 4.09 A)
&rst
ixpk= 2327, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1035,1036,1037,
igr2=1367,1368,
&end
#
# 76 VAL MGY 93 GLN HG+ 3.50 (# 2328:25 Unique 2.17, 4.24 A)
&rst
ixpk= 2328, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1367,1368,
&end
#
# 76 VAL MGY 93 GLN HG- 3.50 (# 2329:25 Unique 2.17, 4.24 A)
&rst
ixpk= 2329, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1367,1368,
&end
#
# 93 GLN HB- 93 GLN HG+ 2.80 (# 2330:25 Unique 2.34, 2.61 A)
&rst
ixpk= 2330, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1364,1365,
igr2=1367,1368,
&end
#
# 73 TYR HB+ 93 GLN HG+ 4.50 (# 2333:25 Unique 2.68, 4.26 A)
&rst
ixpk= 2333, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1069,1070,
igr2=1367,1368,
&end
#
# 73 TYR HB+ 93 GLN HG- 5.50 (# 2334:25 Unique 2.68, 4.26 A)
&rst
ixpk= 2334, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1069,1070,
igr2=1367,1368,
&end
#
# 0 AMB 25-2:2336 0 AMB 25-1:2336 3.50 (# 2336:25 Double Ambig)
&rst
ixpk= 2336, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 254, 255, 192,
igr2= 194, 195, 194, 195,
&end
#
# 0 AMB 25-2:2337 0 AMB 25-1:2337 4.50 (# 2337:25 Double Ambig)
&rst
ixpk= 2337, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1308,1043,
igr2=1367,1368,1367,1368,
&end
#
# 93 GLN HA 93 GLN HG+ 3.50 (# 2338:25 Unique 2.91, 3.35 A)
&rst
ixpk= 2338, nxpk= 25, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1367,1368,
&end
#
# 90 TRP HA 93 GLN HG- 4.50 (# 2339:25 Unique 2.81, 3.57 A)
&rst
ixpk= 2339, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1367,1368,
&end
#
# 93 GLN HA 93 GLN HG- 3.50 (# 2340:25 Unique 2.91, 3.35 A)
&rst
ixpk= 2340, nxpk= 25, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1367,1368,
&end
#
# 93 GLN HE2- 93 GLN HG+ 4.50 (# 2343:25 Unique 2.20, 3.27 A)
&rst
ixpk= 2343, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1372,1373,
igr2=1367,1368,
&end
#
# 93 GLN HE2- 93 GLN HG- 4.50 (# 2344:25 Unique 2.20, 3.27 A)
&rst
ixpk= 2344, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1372,1373,
igr2=1367,1368,
&end
#
# 11 ASN HD2+ 11 ASN HB+ 3.50 (# 2345:25 Unique 2.22, 3.40 A)
&rst
ixpk= 2345, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 199, 200,
igr2= 194, 195,
&end
#
# 0 AMB 25-2:2346 93 GLN HG- 5.50 (# 2346:25 Single Ambig)
&rst
ixpk= 2346, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1346,1330,1073,1082,
igr2=1367,1368,
&end
#
# 93 GLN HN 93 GLN HG- 4.50 (# 2348:25 Unique 2.51, 3.48 A)
&rst
ixpk= 2348, nxpk= 25, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1367,1368,
&end
#
# 0 AMB 25-2:2350 93 GLN HG- 4.50 (# 2350:25 Single Ambig)
&rst
ixpk= 2350, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1377,1031,
igr2=1367,1368,
&end
#
# 95 ILE HN 94 GLU HA 3.50 (# 2352:25 Unique 3.30, 3.45 A)
&rst
ixpk= 2352, nxpk= 25, iat=1392,1379, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:2353 0 AMB 25-1:2353 4.50 (# 2353:25 Double Ambig)
&rst
ixpk= 2353, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1362, 329,
igr2=1379, 280,
&end
#
# 50 MET HG+ 17 MET HA 4.50 (# 2354:25 Unique 3.02, 4.17 A)
&rst
ixpk= 2354, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 750, 751,
&end
#
# 16 GLN HG- 17 MET HA 4.50 (# 2355:25 Unique 3.47, 4.52 A)
&rst
ixpk= 2355, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 268, 269,
&end
#
# 0 AMB 25-2:2356 94 GLU HA 4.50 (# 2356:25 Single Ambig)
&rst
ixpk= 2356, nxpk= 25, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1364,1365,1396,
&end
#
# 0 AMB 25-2:2357 17 MET HA 4.50 (# 2357:25 Single Ambig)
&rst
ixpk= 2357, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1784,1785,1786,1788,1789,1790, 265, 266,
&end
#
# 17 MET ME 17 MET HA 3.50 (# 2358:25 Unique 2.13, 3.06 A)
&rst
ixpk= 2358, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 289, 290, 291,
&end
#
# 57 ILE QG2 17 MET HA 3.50 (# 2359:25 Unique 2.46, 4.20 A)
&rst
ixpk= 2359, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 850, 851, 852,
&end
#
# 57 ILE QD1 17 MET HA 4.50 (# 2360:25 Unique 2.93, 4.60 A)
&rst
ixpk= 2360, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 857, 858, 859,
&end
#
# 124 GLU HA 124 GLU HB- 2.80 (# 2361:25 Unique 2.56, 2.83 A)
&rst
ixpk= 2361, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1875,1876,
&end
#
# 124 GLU HA 124 GLU HB+ 2.80 (# 2362:25 Unique 2.56, 2.83 A)
&rst
ixpk= 2362, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1875,1876,
&end
#
# 125 ASN HN 124 GLU HG- 5.50 (# 2363:25 Unique 4.59, 4.90 A)
&rst
ixpk= 2363, nxpk= 25, iat=1886, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1878,1879,
&end
#
# 121 GLU HA 124 GLU HG+ 5.50 (# 2364:25 Unique 3.47, 4.44 A)
&rst
ixpk= 2364, nxpk= 25, iat=1818, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1878,1879,
&end
#
# 121 GLU HA 124 GLU HG- 4.50 (# 2365:25 Unique 3.47, 4.44 A)
&rst
ixpk= 2365, nxpk= 25, iat=1818, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1878,1879,
&end
#
# 124 GLU HA 124 GLU HG- 2.80 (# 2366:25 Unique 2.32, 2.73 A)
&rst
ixpk= 2366, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1878,1879,
&end
#
# 124 GLU HA 124 GLU HG+ 3.50 (# 2367:25 Unique 2.32, 2.73 A)
&rst
ixpk= 2367, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1878,1879,
&end
#
# 120 LYS HE- 124 GLU HG- 4.50 (# 2368:25 Unique 3.17, 4.89 A)
&rst
ixpk= 2368, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1807,1808,
igr2=1878,1879,
&end
#
# 0 AMB 25-2:2369 0 AMB 25-1:2369 2.80 (# 2369:25 Double Ambig)
&rst
ixpk= 2369, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1875,1876,1381,1382,
igr2=1878,1879,1384,1385,
&end
#
# 0 AMB 25-2:2370 0 AMB 25-1:2370 2.80 (# 2370:25 Double Ambig)
&rst
ixpk= 2370, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1875,1876,1381,1382,
igr2=1878,1879,1384,1385,
&end
#
# 25 LEU HB+ 124 GLU HG- 4.50 (# 2371:25 Unique 3.24, 4.54 A)
&rst
ixpk= 2371, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 397, 398,
igr2=1878,1879,
&end
#
# 25 LEU HB- 124 GLU HG- 4.50 (# 2372:25 Unique 3.24, 4.54 A)
&rst
ixpk= 2372, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 397, 398,
igr2=1878,1879,
&end
#
# 0 AMB 25-2:2373 124 GLU HG- 4.50 (# 2373:25 Single Ambig)
&rst
ixpk= 2373, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1861,1862,1863,1865,1866,1867,1804,1805,
igr2=1878,1879,
&end
#
# 0 AMB 25-2:2374 0 AMB 25-1:2374 4.50 (# 2374:25 Double Ambig)
&rst
ixpk= 2374, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1=1861,1862,1863,1865,1866,1867,1804,1805,
igr2=1878,1879,1878,1879,
&end
#
# 25 LEU HB- 124 GLU HG+ 4.50 (# 2375:25 Unique 3.24, 4.54 A)
&rst
ixpk= 2375, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 397, 398,
igr2=1878,1879,
&end
#
# 25 LEU HB+ 124 GLU HG+ 4.50 (# 2376:25 Unique 3.24, 4.54 A)
&rst
ixpk= 2376, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 397, 398,
igr2=1878,1879,
&end
#
# 120 LYS HG- 124 GLU HG+ 5.50 (# 2377:25 Unique 2.50, 3.79 A)
&rst
ixpk= 2377, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1801,1802,
igr2=1878,1879,
&end
#
# 120 LYS HG- 124 GLU HG- 5.50 (# 2378:25 Unique 2.50, 3.79 A)
&rst
ixpk= 2378, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1801,1802,
igr2=1878,1879,
&end
#
# 127 ILE QD1 124 GLU HG- 4.50 (# 2379:25 Unique 3.88, 5.42 A)
&rst
ixpk= 2379, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1932,1933,1934,
igr2=1878,1879,
&end
#
# 127 ILE QD1 124 GLU HG+ 4.50 (# 2380:25 Unique 3.88, 5.42 A)
&rst
ixpk= 2380, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1932,1933,1934,
igr2=1878,1879,
&end
#
# 95 ILE HG1+ 95 ILE HA 3.50 (# 2381:25 Unique 2.43, 2.95 A)
&rst
ixpk= 2381, nxpk= 25, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1402,1403,
&end
#
# 95 ILE HB 95 ILE HA 3.50 (# 2382:25 Unique 2.33, 2.38 A)
&rst
ixpk= 2382, nxpk= 25, iat=1396,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 PHE HB- 95 ILE HA 5.50 (# 2383:25 Unique 4.06, 4.70 A)
&rst
ixpk= 2383, nxpk= 25, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1415,1416,
&end
#
# 95 ILE HN 95 ILE HA 4.50 (# 2384:25 Unique 2.88, 2.91 A)
&rst
ixpk= 2384, nxpk= 25, iat=1392,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2385 95 ILE HB 4.50 (# 2385:25 Single Ambig)
&rst
ixpk= 2385, nxpk= 25, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1411,1377,
&end
#
# 95 ILE HN 95 ILE HB 3.50 (# 2386:25 Unique 3.46, 3.51 A)
&rst
ixpk= 2386, nxpk= 25, iat=1392,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:2388 95 ILE HB 5.50 (# 2388:25 Single Ambig)
&rst
ixpk= 2388, nxpk= 25, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1100,1972,
&end
#
# 95 ILE HG1- 95 ILE HB 4.50 (# 2389:25 Unique 2.46, 2.81 A)
&rst
ixpk= 2389, nxpk= 25, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1402,1403,
&end
#
# 0 AMB 25-2:2390 95 ILE HG1- 2.80 (# 2390:25 Single Ambig)
&rst
ixpk= 2390, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1405,1406,1407,1104,1105,1106,1108,1109,1110,1398,
1399,1400,
igr2=1402,1403,
&end
#
# 95 ILE HB 95 ILE HG1- 3.50 (# 2392:25 Unique 2.46, 2.81 A)
&rst
ixpk= 2392, nxpk= 25, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1402,1403,
&end
#
# 97 GLU HG+ 95 ILE HG1- 3.50 (# 2393:25 Unique 2.28, 3.30 A)
&rst
ixpk= 2393, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1438,1439,
igr2=1402,1403,
&end
#
# 95 ILE HA 95 ILE HG1- 3.50 (# 2395:25 Unique 2.43, 2.95 A)
&rst
ixpk= 2395, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1402,1403,
&end
#
# 95 ILE HN 95 ILE HG1- 5.50 (# 2396:25 Unique 4.24, 4.53 A)
&rst
ixpk= 2396, nxpk= 25, iat=1392, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1402,1403,
&end
#
# 96 PHE HN 95 ILE HG1- 5.50 (# 2397:25 Unique 2.26, 2.81 A)
&rst
ixpk= 2397, nxpk= 25, iat=1411, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1402,1403,
&end
#
# 96 PHE HA 95 ILE QG2 5.50 (# 2398:25 Unique 4.03, 5.38 A)
&rst
ixpk= 2398, nxpk= 25, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1398,1399,1400,
&end
#
# 97 GLU HG+ 95 ILE QG2 4.50 (# 2399:25 Unique 4.72, 5.99 A)
&rst
ixpk= 2399, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1438,1439,
igr2=1398,1399,1400,
&end
#
# 95 ILE HB 95 ILE QG2 2.80 (# 2400:25 Unique 2.36, 2.66 A)
&rst
ixpk= 2400, nxpk= 25, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1398,1399,1400,
&end
#
# 77 ILE QD1 95 ILE QG2 5.50 (# 2401:25 Unique 3.51, 5.64 A)
&rst
ixpk= 2401, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1143,1144,1145,
igr2=1398,1399,1400,
&end
#
# 97 GLU HN 97 GLU HA 4.50 (# 2403:25 Unique 2.88, 2.92 A)
&rst
ixpk= 2403, nxpk= 25, iat=1431,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 PHE HD 97 GLU HA 4.50 (# 2404:25 Unique 3.70, 5.00 A)
&rst
ixpk= 2404, nxpk= 25, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1419,1427,
&end
#
# 96 PHE HA 97 GLU HA 5.50 (# 2405:25 Unique 4.47, 4.54 A)
&rst
ixpk= 2405, nxpk= 25, iat=1413,1433, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 ASP HA 97 GLU HA 4.50 (# 2406:25 Unique 4.52, 4.57 A)
&rst
ixpk= 2406, nxpk= 25, iat=1448,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2407 97 GLU HA 4.50 (# 2407:25 Single Ambig)
&rst
ixpk= 2407, nxpk= 25, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1435,1436,1438,1439,
&end
#
# 97 GLU HB- 97 GLU HA 2.80 (# 2408:25 Unique 2.35, 2.74 A)
&rst
ixpk= 2408, nxpk= 25, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1435,1436,
&end
#
# 97 GLU HG+ 97 GLU HA 3.50 (# 2409:25 Unique 2.42, 3.36 A)
&rst
ixpk= 2409, nxpk= 25, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1438,1439,
&end
#
# 95 ILE QD1 97 GLU HA 5.50 (# 2410:25 Unique 5.38, 6.65 A)
&rst
ixpk= 2410, nxpk= 25, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1405,1406,1407,
&end
#
# 77 ILE QD1 97 GLU HA 5.50 (# 2411:25 Unique 4.31, 5.12 A)
&rst
ixpk= 2411, nxpk= 25, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1143,1144,1145,
&end
#
# 77 ILE QG2 97 GLU HB+ 5.50 (# 2412:25 Unique 2.20, 4.27 A)
&rst
ixpk= 2412, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1136,1137,1138,
igr2=1435,1436,
&end
#
# 77 ILE QG2 97 GLU HB- 4.50 (# 2413:25 Unique 2.20, 4.27 A)
&rst
ixpk= 2413, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1136,1137,1138,
igr2=1435,1436,
&end
#
# 77 ILE QD1 97 GLU HB+ 3.50 (# 2414:25 Unique 2.08, 3.54 A)
&rst
ixpk= 2414, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1143,1144,1145,
igr2=1435,1436,
&end
#
# 97 GLU HG+ 97 GLU HB- 2.80 (# 2416:25 Unique 2.26, 2.65 A)
&rst
ixpk= 2416, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1438,1439,
igr2=1435,1436,
&end
#
# 0 AMB 25-2:2417 0 AMB 25-1:2417 2.80 (# 2417:25 Double Ambig)
&rst
ixpk= 2417, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1582,1583, 285, 286,
igr2=1585,1586, 282, 283,
&end
#
# 97 GLU HA 97 GLU HB- 3.50 (# 2418:25 Unique 2.35, 2.74 A)
&rst
ixpk= 2418, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1435,1436,
&end
#
# 99 TRP HD1 97 GLU HB- 5.50 (# 2419:25 Unique 4.43, 5.50 A)
&rst
ixpk= 2419, nxpk= 25, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1435,1436,
&end
#
# 97 GLU HN 97 GLU HB- 4.50 (# 2420:25 Unique 2.52, 3.40 A)
&rst
ixpk= 2420, nxpk= 25, iat=1431, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1435,1436,
&end
#
# 98 ASP HN 97 GLU HB+ 3.50 (# 2421:25 Unique 2.04, 2.82 A)
&rst
ixpk= 2421, nxpk= 25, iat=1446, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1435,1436,
&end
#
# 98 ASP HN 97 GLU HB- 3.50 (# 2422:25 Unique 2.04, 2.82 A)
&rst
ixpk= 2422, nxpk= 25, iat=1446, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1435,1436,
&end
#
# 99 TRP HE1 97 GLU HB+ 4.50 (# 2423:25 Unique 2.76, 3.95 A)
&rst
ixpk= 2423, nxpk= 25, iat=1468, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1435,1436,
&end
#
# 99 TRP HE1 97 GLU HB- 4.50 (# 2424:25 Unique 2.76, 3.95 A)
&rst
ixpk= 2424, nxpk= 25, iat=1468, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1435,1436,
&end
#
# 99 TRP HE1 97 GLU HG- 5.50 (# 2425:25 Unique 3.95, 5.11 A)
&rst
ixpk= 2425, nxpk= 25, iat=1468, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1438,1439,
&end
#
# 6 PHE HD 19 GLU HG- 5.50 (# 2426:25 Unique 4.69, 6.71 A)
&rst
ixpk= 2426, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 106, 114,
igr2= 312, 313,
&end
#
# 77 ILE QD1 97 GLU HG- 3.50 (# 2428:25 Unique 2.43, 3.84 A)
&rst
ixpk= 2428, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1143,1144,1145,
igr2=1438,1439,
&end
#
# 98 ASP HB+ 98 ASP HA 3.50 (# 2430:25 Unique 2.19, 2.65 A)
&rst
ixpk= 2430, nxpk= 25, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1450,1451,
&end
#
# 98 ASP HB- 98 ASP HA 2.80 (# 2431:25 Unique 2.19, 2.65 A)
&rst
ixpk= 2431, nxpk= 25, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1450,1451,
&end
#
# 78 SER HB- 98 ASP HA 5.50 (# 2432:25 Unique 2.66, 4.46 A)
&rst
ixpk= 2432, nxpk= 25, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1153,1154,
&end
#
# 78 SER HB+ 98 ASP HA 4.50 (# 2433:25 Unique 2.66, 4.46 A)
&rst
ixpk= 2433, nxpk= 25, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1153,1154,
&end
#
# 77 ILE HA 98 ASP HA 5.50 (# 2434:25 Unique 4.40, 4.80 A)
&rst
ixpk= 2434, nxpk= 25, iat=1132,1448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 ASP HN 98 ASP HA 4.50 (# 2435:25 Unique 2.69, 2.80 A)
&rst
ixpk= 2435, nxpk= 25, iat=1446,1448, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 TRP HN 98 ASP HA 2.80 (# 2436:25 Unique 2.18, 2.27 A)
&rst
ixpk= 2436, nxpk= 25, iat=1458,1448, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 TRP HN 98 ASP HB- 5.50 (# 2437:25 Unique 2.44, 4.06 A)
&rst
ixpk= 2437, nxpk= 25, iat=1458, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1450,1451,
&end
#
# 99 TRP HN 98 ASP HB+ 4.50 (# 2438:25 Unique 2.44, 4.06 A)
&rst
ixpk= 2438, nxpk= 25, iat=1458, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1450,1451,
&end
#
# 78 SER HN 98 ASP HB+ 5.50 (# 2439:25 Unique 2.21, 3.78 A)
&rst
ixpk= 2439, nxpk= 25, iat=1149, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1450,1451,
&end
#
# 98 ASP HA 98 ASP HB- 3.50 (# 2441:25 Unique 2.19, 2.65 A)
&rst
ixpk= 2441, nxpk= 25, iat=1448, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1450,1451,
&end
#
# 97 GLU HA 98 ASP HB- 5.50 (# 2442:25 Unique 3.71, 4.31 A)
&rst
ixpk= 2442, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1450,1451,
&end
#
# 78 SER HB+ 98 ASP HB+ 4.50 (# 2443:25 Unique 2.04, 3.94 A)
&rst
ixpk= 2443, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1153,1154,
igr2=1450,1451,
&end
#
# 78 SER HB+ 98 ASP HB- 5.50 (# 2444:25 Unique 2.04, 3.94 A)
&rst
ixpk= 2444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1153,1154,
igr2=1450,1451,
&end
#
# 78 SER HB- 98 ASP HB+ 5.50 (# 2445:25 Unique 2.04, 3.94 A)
&rst
ixpk= 2445, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1153,1154,
igr2=1450,1451,
&end
#
# 99 TRP HN 99 TRP HA 5.50 (# 2446:25 Unique 2.93, 2.96 A)
&rst
ixpk= 2446, nxpk= 25, iat=1458,1460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HD1 99 TRP HA 5.50 (# 2447:25 Unique 2.71, 3.62 A)
&rst
ixpk= 2447, nxpk= 25, iat=1466,1460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 ASP HA 99 TRP HA 4.50 (# 2448:25 Unique 4.44, 4.49 A)
&rst
ixpk= 2448, nxpk= 25, iat=1448,1460, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2449 0 AMB 25-1:2449 3.50 (# 2449:25 Double Ambig)
&rst
ixpk= 2449, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1460,1162,
igr2=1462,1463,1462,1463,
&end
#
# 0 AMB 25-2:2450 99 TRP HB- 3.50 (# 2450:25 Single Ambig)
&rst
ixpk= 2450, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1460,1162,
igr2=1462,1463,
&end
#
# 99 TRP HN 99 TRP HB+ 3.50 (# 2451:25 Unique 2.41, 3.29 A)
&rst
ixpk= 2451, nxpk= 25, iat=1458, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1462,1463,
&end
#
# 99 TRP HN 99 TRP HB- 4.50 (# 2452:25 Unique 2.41, 3.29 A)
&rst
ixpk= 2452, nxpk= 25, iat=1458, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1462,1463,
&end
#
# 99 TRP HE3 99 TRP HB+ 4.50 (# 2453:25 Unique 2.25, 3.41 A)
&rst
ixpk= 2453, nxpk= 25, iat=1477, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1462,1463,
&end
#
# 99 TRP HE3 99 TRP HB- 4.50 (# 2454:25 Unique 2.25, 3.41 A)
&rst
ixpk= 2454, nxpk= 25, iat=1477, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1462,1463,
&end
#
# 99 TRP HD1 99 TRP HB- 5.50 (# 2455:25 Unique 2.44, 3.24 A)
&rst
ixpk= 2455, nxpk= 25, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1462,1463,
&end
#
# 99 TRP HD1 99 TRP HB+ 5.50 (# 2456:25 Unique 2.44, 3.24 A)
&rst
ixpk= 2456, nxpk= 25, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1462,1463,
&end
#
# 98 ASP HA 99 TRP HB+ 5.50 (# 2458:25 Unique 4.04, 4.97 A)
&rst
ixpk= 2458, nxpk= 25, iat=1448, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1462,1463,
&end
#
# 122 ARG HD+ 99 TRP HB+ 5.50 (# 2459:25 Unique 2.15, 3.24 A)
&rst
ixpk= 2459, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1841,1842,
igr2=1462,1463,
&end
#
# 0 AMB 25-2:2460 0 AMB 25-1:2460 5.50 (# 2460:25 Double Ambig)
&rst
ixpk= 2460, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1164,1165,1486,1487,
igr2=1462,1463,1462,1463,
&end
#
# 122 ARG HD+ 99 TRP HB- 5.50 (# 2461:25 Unique 2.15, 3.24 A)
&rst
ixpk= 2461, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1841,1842,
igr2=1462,1463,
&end
#
# 0 AMB 25-2:2462 0 AMB 25-1:2462 4.50 (# 2462:25 Double Ambig)
&rst
ixpk= 2462, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1506,1164,1165,
igr2=1462,1463,1462,1463,
&end
#
# 0 AMB 25-2:2463 99 TRP HB- 4.50 (# 2463:25 Single Ambig)
&rst
ixpk= 2463, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1506,1164,1165,
igr2=1462,1463,
&end
#
# 101 LEU MDY 99 TRP HB+ 4.50 (# 2464:25 Unique 2.26, 4.45 A)
&rst
ixpk= 2464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1508,1509,1510,1512,1513,1514,
igr2=1462,1463,
&end
#
# 101 LEU MDX 99 TRP HB+ 4.50 (# 2465:25 Unique 2.26, 4.45 A)
&rst
ixpk= 2465, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1508,1509,1510,1512,1513,1514,
igr2=1462,1463,
&end
#
# 101 LEU MDX 99 TRP HB- 4.50 (# 2467:25 Unique 2.26, 4.45 A)
&rst
ixpk= 2467, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1508,1509,1510,1512,1513,1514,
igr2=1462,1463,
&end
#
# 101 LEU MDY 99 TRP HB- 4.50 (# 2468:25 Unique 2.26, 4.45 A)
&rst
ixpk= 2468, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1508,1509,1510,1512,1513,1514,
igr2=1462,1463,
&end
#
# 77 ILE QG2 99 TRP HB+ 5.50 (# 2469:25 Unique 4.03, 6.51 A)
&rst
ixpk= 2469, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1136,1137,1138,
igr2=1462,1463,
&end
#
# 100 GLN HG+ 100 GLN HA 4.50 (# 2471:25 Unique 2.46, 2.94 A)
&rst
ixpk= 2471, nxpk= 25, iat= -1,1484, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1489,1490,
&end
#
# 100 GLN HB+ 100 GLN HA 3.50 (# 2472:25 Unique 2.39, 2.76 A)
&rst
ixpk= 2472, nxpk= 25, iat= -1,1484, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1486,1487,
&end
#
# 100 GLN HA 100 GLN HB+ 2.80 (# 2473:25 Unique 2.39, 2.76 A)
&rst
ixpk= 2473, nxpk= 25, iat=1484, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1486,1487,
&end
#
# 100 GLN HA 100 GLN HB- 2.80 (# 2474:25 Unique 2.39, 2.76 A)
&rst
ixpk= 2474, nxpk= 25, iat=1484, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1486,1487,
&end
#
# 64 PRO HD- 64 PRO HG- 2.80 (# 2478:25 Unique 2.31, 2.61 A)
&rst
ixpk= 2478, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 936, 937,
igr2= 939, 940,
&end
#
# 44 PRO HD+ 44 PRO HG+ 2.80 (# 2479:25 Unique 2.33, 2.61 A)
&rst
ixpk= 2479, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 660, 661,
igr2= 663, 664,
&end
#
# 63 ASP HA 64 PRO HG- 5.50 (# 2481:25 Unique 4.38, 4.71 A)
&rst
ixpk= 2481, nxpk= 25, iat= 925, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 939, 940,
&end
#
# 100 GLN HE2- 100 GLN HB+ 5.50 (# 2482:25 Unique 2.66, 4.14 A)
&rst
ixpk= 2482, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1494,1495,
igr2=1486,1487,
&end
#
# 107 GLN HE2+ 107 GLN HG+ 2.80 (# 2483:25 Unique 2.21, 3.18 A)
&rst
ixpk= 2483, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1590,1591,
igr2=1585,1586,
&end
#
# 101 LEU MDY 101 LEU HA 4.50 (# 2484:25 Unique 2.09, 3.86 A)
&rst
ixpk= 2484, nxpk= 25, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1508,1509,1510,1512,1513,1514,
&end
#
# 101 LEU HB- 101 LEU HA 3.50 (# 2485:25 Unique 2.26, 2.76 A)
&rst
ixpk= 2485, nxpk= 25, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1503,1504,
&end
#
# 102 GLU HB- 101 LEU HA 5.50 (# 2486:25 Unique 4.27, 5.14 A)
&rst
ixpk= 2486, nxpk= 25, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1522,1523,
&end
#
# 0 AMB 25-2:2487 101 LEU HA 4.50 (# 2487:25 Single Ambig)
&rst
ixpk= 2487, nxpk= 25, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1525,1526,1486,1487,
&end
#
# 101 LEU HN 101 LEU HA 4.50 (# 2491:25 Unique 2.87, 2.95 A)
&rst
ixpk= 2491, nxpk= 25, iat=1499,1501, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2492 101 LEU HA 5.50 (# 2492:25 Single Ambig)
&rst
ixpk= 2492, nxpk= 25, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1533, 239,
&end
#
# 101 LEU HN 101 LEU HB+ 5.50 (# 2493:25 Unique 2.08, 3.03 A)
&rst
ixpk= 2493, nxpk= 25, iat=1499, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1503,1504,
&end
#
# 101 LEU HN 101 LEU HB- 4.50 (# 2494:25 Unique 2.08, 3.03 A)
&rst
ixpk= 2494, nxpk= 25, iat=1499, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1503,1504,
&end
#
# 102 GLU HN 101 LEU HB+ 5.50 (# 2495:25 Unique 2.61, 3.61 A)
&rst
ixpk= 2495, nxpk= 25, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1503,1504,
&end
#
# 102 GLU HN 101 LEU HB- 5.50 (# 2496:25 Unique 2.61, 3.61 A)
&rst
ixpk= 2496, nxpk= 25, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1503,1504,
&end
#
# 101 LEU HA 101 LEU HB+ 5.50 (# 2497:25 Unique 2.26, 2.76 A)
&rst
ixpk= 2497, nxpk= 25, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1503,1504,
&end
#
# 101 LEU HA 101 LEU HB- 4.50 (# 2498:25 Unique 2.26, 2.76 A)
&rst
ixpk= 2498, nxpk= 25, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1503,1504,
&end
#
# 0 AMB 25-2:2503 0 AMB 25-1:2503 4.50 (# 2503:25 Double Ambig)
&rst
ixpk= 2503, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1508,1509,1510,1512,1513,1514,1784,1785,1786,1788,
1789,1790,
igr2=1503,1504,1503,1504,
&end
#
# 0 AMB 25-2:2504 101 LEU HB- 3.50 (# 2504:25 Single Ambig)
&rst
ixpk= 2504, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1508,1509,1510,1512,1513,1514,1784,1785,1786,1788,
1789,1790,
igr2=1503,1504,
&end
#
# 0 AMB 25-2:2505 101 LEU HB- 3.50 (# 2505:25 Single Ambig)
&rst
ixpk= 2505, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1508,1509,1510,1512,1513,1514,1720,1721,1722,1724,
1725,1726,1720,1721,1722,1724,1725,1726,
igr2=1503,1504,
&end
#
# 0 AMB 25-2:2506 0 AMB 25-1:2506 4.50 (# 2506:25 Double Ambig)
&rst
ixpk= 2506, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1=1508,1509,1510,1512,1513,1514,1720,1721,1722,1724,
1725,1726,1720,1721,1722,1724,1725,1726,
igr2=1503,1504,1503,1504,1503,1504,
&end
#
# 102 GLU HN 101 LEU MDX 5.50 (# 2507:25 Unique 3.30, 5.18 A)
&rst
ixpk= 2507, nxpk= 25, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 101 LEU HN 101 LEU MDX 4.50 (# 2508:25 Unique 2.14, 4.38 A)
&rst
ixpk= 2508, nxpk= 25, iat=1499, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 99 TRP HE3 101 LEU MDX 5.50 (# 2509:25 Unique 2.29, 5.42 A)
&rst
ixpk= 2509, nxpk= 25, iat=1477, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 119 VAL HA 101 LEU MDX 5.50 (# 2510:25 Unique 2.15, 4.83 A)
&rst
ixpk= 2510, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 99 TRP HB+ 101 LEU MDX 5.50 (# 2511:25 Unique 2.26, 4.45 A)
&rst
ixpk= 2511, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1462,1463,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 25-2:2514 101 LEU MDX 4.50 (# 2514:25 Single Ambig)
&rst
ixpk= 2514, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1537,1538, 230, 231,1765,1766,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 122 ARG HD+ 101 LEU MDX 5.50 (# 2515:25 Unique 2.14, 5.31 A)
&rst
ixpk= 2515, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1841,1842,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 101 LEU HG 101 LEU MDX 2.80 (# 2516:25 Unique 2.33, 2.66 A)
&rst
ixpk= 2516, nxpk= 25, iat=1506, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 101 LEU HB- 101 LEU MDX 3.50 (# 2517:25 Unique 2.27, 3.44 A)
&rst
ixpk= 2517, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1503,1504,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 25-2:2519 101 LEU MDY 2.80 (# 2519:25 Single Ambig)
&rst
ixpk= 2519, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1164,1165,1506,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 101 LEU HB- 101 LEU MDY 3.50 (# 2520:25 Unique 2.27, 3.44 A)
&rst
ixpk= 2520, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1503,1504,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 79 LEU HB+ 101 LEU MDY 4.50 (# 2522:25 Unique 2.17, 5.91 A)
&rst
ixpk= 2522, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1164,1165,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 25-2:2523 101 LEU MDY 5.50 (# 2523:25 Single Ambig)
&rst
ixpk= 2523, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 230, 231,1765,1766,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 99 TRP HB- 101 LEU MDY 5.50 (# 2524:25 Unique 2.26, 4.45 A)
&rst
ixpk= 2524, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1462,1463,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 99 TRP HB+ 101 LEU MDY 5.50 (# 2525:25 Unique 2.26, 4.45 A)
&rst
ixpk= 2525, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1462,1463,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 119 VAL HA 101 LEU MDY 4.50 (# 2526:25 Unique 2.15, 4.83 A)
&rst
ixpk= 2526, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 99 TRP HE3 101 LEU MDY 5.50 (# 2528:25 Unique 2.29, 5.42 A)
&rst
ixpk= 2528, nxpk= 25, iat=1477, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 101 LEU HN 101 LEU MDY 5.50 (# 2529:25 Unique 2.14, 4.38 A)
&rst
ixpk= 2529, nxpk= 25, iat=1499, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 102 GLU HA 102 GLU HB+ 2.80 (# 2531:25 Unique 2.28, 2.76 A)
&rst
ixpk= 2531, nxpk= 25, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1522,1523,
&end
#
# 0 AMB 25-2:2533 0 AMB 25-1:2533 5.50 (# 2533:25 Double Ambig)
&rst
ixpk= 2533, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.88, r4=11.63,
igr1=1552,1553,1508,1509,1510,1512,1513,1514,1549,1550,
igr2=1522,1523,1522,1523,1522,1523,
&end
#
# 114 THR MG2 102 GLU HB+ 5.50 (# 2534:25 Unique 3.03, 4.98 A)
&rst
ixpk= 2534, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1706,1707,1708,
igr2=1522,1523,
&end
#
# 101 LEU HA 102 GLU HB+ 5.50 (# 2535:25 Unique 4.27, 5.14 A)
&rst
ixpk= 2535, nxpk= 25, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1522,1523,
&end
#
# 101 LEU HA 102 GLU HB- 5.50 (# 2536:25 Unique 4.27, 5.14 A)
&rst
ixpk= 2536, nxpk= 25, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1522,1523,
&end
#
# 103 ASP HN 102 GLU HB+ 4.50 (# 2538:25 Unique 2.59, 3.55 A)
&rst
ixpk= 2538, nxpk= 25, iat=1533, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1522,1523,
&end
#
# 0 AMB 25-2:2539 0 AMB 25-1:2539 5.50 (# 2539:25 Double Ambig)
&rst
ixpk= 2539, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1714,1855,
igr2=1525,1526,1823,1824,
&end
#
# 87 PRO HB+ 89 GLU HG- 5.50 (# 2541:25 Unique 2.31, 3.98 A)
&rst
ixpk= 2541, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1270,1271,
igr2=1298,1299,
&end
#
# 0 AMB 25-2:2542 103 ASP HA 3.50 (# 2542:25 Single Ambig)
&rst
ixpk= 2542, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 25-2:2543 103 ASP HA 4.50 (# 2543:25 Single Ambig)
&rst
ixpk= 2543, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1508,1509,1510,1512,1513,1514,1552,1553,
&end
#
# 0 AMB 25-2:2544 103 ASP HA 4.50 (# 2544:25 Single Ambig)
&rst
ixpk= 2544, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1503,1504,1549,1550,
&end
#
# 0 AMB 25-2:2545 103 ASP HA 4.50 (# 2545:25 Single Ambig)
&rst
ixpk= 2545, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 233, 234, 268, 269,
&end
#
# 0 AMB 25-2:2546 103 ASP HA 5.50 (# 2546:25 Single Ambig)
&rst
ixpk= 2546, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1525,1526,1585,1586, 754, 755, 756,
&end
#
# 102 GLU HB+ 103 ASP HA 5.50 (# 2547:25 Unique 4.01, 4.94 A)
&rst
ixpk= 2547, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1522,1523,
&end
#
# 103 ASP HB- 103 ASP HA 2.80 (# 2548:25 Unique 2.23, 2.66 A)
&rst
ixpk= 2548, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1537,1538,
&end
#
# 103 ASP HB+ 103 ASP HA 2.80 (# 2549:25 Unique 2.23, 2.66 A)
&rst
ixpk= 2549, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1537,1538,
&end
#
# 105 ASP HB+ 103 ASP HA 5.50 (# 2550:25 Unique 5.08, 5.95 A)
&rst
ixpk= 2550, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1563,1564,
&end
#
# 14 ARG HD+ 103 ASP HA 5.50 (# 2551:25 Unique 4.67, 6.36 A)
&rst
ixpk= 2551, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 236, 237,
&end
#
# 104 PRO HD- 103 ASP HA 2.80 (# 2554:25 Unique 2.06, 2.33 A)
&rst
ixpk= 2554, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1546,1547,
&end
#
# 104 PRO HD+ 103 ASP HA 2.80 (# 2555:25 Unique 2.06, 2.33 A)
&rst
ixpk= 2555, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1546,1547,
&end
#
# 105 ASP HN 103 ASP HA 4.50 (# 2556:25 Unique 3.51, 4.06 A)
&rst
ixpk= 2556, nxpk= 25, iat=1559,1535, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 127 ILE HN 126 LEU HB+ 4.50 (# 2557:25 Unique 2.21, 3.25 A)
&rst
ixpk= 2557, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1904,1905,
&end
#
# 126 LEU HN 126 LEU HB+ 3.50 (# 2558:25 Unique 2.15, 2.41 A)
&rst
ixpk= 2558, nxpk= 25, iat=1900, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1904,1905,
&end
#
# 105 ASP HN 103 ASP HB+ 5.50 (# 2559:25 Unique 3.40, 4.40 A)
&rst
ixpk= 2559, nxpk= 25, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1537,1538,
&end
#
# 0 AMB 25-2:2561 0 AMB 25-1:2561 4.50 (# 2561:25 Double Ambig)
&rst
ixpk= 2561, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 228,1546,1547,
igr2=1537,1538,1537,1538,
&end
#
# 0 AMB 25-2:2562 103 ASP HB- 4.50 (# 2562:25 Single Ambig)
&rst
ixpk= 2562, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 228,1546,1547,
igr2=1537,1538,
&end
#
# 123 VAL HA 126 LEU HB+ 4.50 (# 2563:25 Unique 2.36, 3.01 A)
&rst
ixpk= 2563, nxpk= 25, iat=1857, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1904,1905,
&end
#
# 126 LEU HG 126 LEU HB+ 3.50 (# 2567:25 Unique 2.19, 2.61 A)
&rst
ixpk= 2567, nxpk= 25, iat=1907, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1904,1905,
&end
#
# 103 ASP HN 104 PRO HA 5.50 (# 2568:25 Unique 4.31, 4.94 A)
&rst
ixpk= 2568, nxpk= 25, iat=1533,1555, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 PHE HN 104 PRO HA 4.50 (# 2569:25 Unique 4.33, 4.75 A)
&rst
ixpk= 2569, nxpk= 25, iat=1656,1555, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 VAL MGX 104 PRO HB- 3.50 (# 2572:25 Unique 2.50, 5.08 A)
&rst
ixpk= 2572, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1552,1553,
&end
#
# 0 AMB 25-2:2573 104 PRO HB- 3.50 (# 2573:25 Single Ambig)
&rst
ixpk= 2573, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
igr2=1552,1553,
&end
#
# 111 VAL MGX 104 PRO HB+ 5.50 (# 2574:25 Unique 2.50, 5.08 A)
&rst
ixpk= 2574, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1552,1553,
&end
#
# 0 AMB 25-2:2575 0 AMB 25-1:2575 4.50 (# 2575:25 Double Ambig)
&rst
ixpk= 2575, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
igr2=1552,1553,1552,1553,
&end
#
# 104 PRO HG+ 104 PRO HB- 4.50 (# 2576:25 Unique 2.38, 2.66 A)
&rst
ixpk= 2576, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1549,1550,
igr2=1552,1553,
&end
#
# 104 PRO HG+ 104 PRO HB+ 4.50 (# 2577:25 Unique 2.38, 2.66 A)
&rst
ixpk= 2577, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1549,1550,
igr2=1552,1553,
&end
#
# 115 VAL HB 104 PRO HB- 4.50 (# 2578:25 Unique 3.30, 4.37 A)
&rst
ixpk= 2578, nxpk= 25, iat=1718, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1552,1553,
&end
#
# 50 MET ME 104 PRO HB+ 5.50 (# 2579:25 Unique 4.64, 5.85 A)
&rst
ixpk= 2579, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 754, 755, 756,
igr2=1552,1553,
&end
#
# 107 GLN HG- 104 PRO HB- 4.50 (# 2580:25 Unique 3.37, 4.35 A)
&rst
ixpk= 2580, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1585,1586,
igr2=1552,1553,
&end
#
# 112 PHE HA 104 PRO HB- 5.50 (# 2581:25 Unique 2.18, 2.84 A)
&rst
ixpk= 2581, nxpk= 25, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1552,1553,
&end
#
# 104 PRO HA 104 PRO HB- 3.50 (# 2582:25 Unique 2.25, 2.49 A)
&rst
ixpk= 2582, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1552,1553,
&end
#
# 112 PHE HA 104 PRO HB+ 4.50 (# 2583:25 Unique 2.18, 2.84 A)
&rst
ixpk= 2583, nxpk= 25, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1552,1553,
&end
#
# 104 PRO HA 104 PRO HB+ 3.50 (# 2584:25 Unique 2.25, 2.49 A)
&rst
ixpk= 2584, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1552,1553,
&end
#
# 104 PRO HD+ 104 PRO HB+ 5.50 (# 2585:25 Unique 2.65, 3.63 A)
&rst
ixpk= 2585, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1546,1547,
igr2=1552,1553,
&end
#
# 104 PRO HD+ 104 PRO HB- 5.50 (# 2586:25 Unique 2.65, 3.63 A)
&rst
ixpk= 2586, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1546,1547,
igr2=1552,1553,
&end
#
# 29 LYS HN 30 ILE HG1+ 5.50 (# 2587:25 Unique 3.59, 4.50 A)
&rst
ixpk= 2587, nxpk= 25, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 468, 469,
&end
#
# 104 PRO HB+ 104 PRO HG+ 4.50 (# 2589:25 Unique 2.38, 2.66 A)
&rst
ixpk= 2589, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1552,1553,
igr2=1549,1550,
&end
#
# 105 ASP HN 104 PRO HD+ 5.50 (# 2590:25 Unique 2.74, 3.68 A)
&rst
ixpk= 2590, nxpk= 25, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1546,1547,
&end
#
# 105 ASP HN 104 PRO HD- 5.50 (# 2591:25 Unique 2.74, 3.68 A)
&rst
ixpk= 2591, nxpk= 25, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1546,1547,
&end
#
# 103 ASP HA 104 PRO HD+ 3.50 (# 2594:25 Unique 2.06, 2.33 A)
&rst
ixpk= 2594, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1546,1547,
&end
#
# 103 ASP HA 104 PRO HD- 2.80 (# 2595:25 Unique 2.06, 2.33 A)
&rst
ixpk= 2595, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1546,1547,
&end
#
# 103 ASP HB+ 104 PRO HD+ 5.50 (# 2598:25 Unique 2.48, 4.45 A)
&rst
ixpk= 2598, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1537,1538,
igr2=1546,1547,
&end
#
# 103 ASP HB+ 104 PRO HD- 5.50 (# 2599:25 Unique 2.48, 4.45 A)
&rst
ixpk= 2599, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1537,1538,
igr2=1546,1547,
&end
#
# 16 GLN HG- 104 PRO HD+ 4.50 (# 2600:25 Unique 3.34, 4.97 A)
&rst
ixpk= 2600, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 268, 269,
igr2=1546,1547,
&end
#
# 104 PRO HG+ 104 PRO HD+ 4.50 (# 2601:25 Unique 2.28, 2.60 A)
&rst
ixpk= 2601, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1549,1550,
igr2=1546,1547,
&end
#
# 104 PRO HG+ 104 PRO HD- 3.50 (# 2602:25 Unique 2.28, 2.60 A)
&rst
ixpk= 2602, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1549,1550,
igr2=1546,1547,
&end
#
# 16 GLN HG- 104 PRO HD- 5.50 (# 2603:25 Unique 3.34, 4.97 A)
&rst
ixpk= 2603, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 268, 269,
igr2=1546,1547,
&end
#
# 0 AMB 25-2:2604 0 AMB 25-1:2604 3.50 (# 2604:25 Double Ambig)
&rst
ixpk= 2604, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1549,1550,1552,1553,
igr2=1546,1547,1546,1547,
&end
#
# 0 AMB 25-2:2605 0 AMB 25-1:2605 3.50 (# 2605:25 Double Ambig)
&rst
ixpk= 2605, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
igr2=1546,1547,1546,1547,
&end
#
# 0 AMB 25-2:2606 104 PRO HD- 4.50 (# 2606:25 Single Ambig)
&rst
ixpk= 2606, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
igr2=1546,1547,
&end
#
# 0 AMB 25-2:2607 104 PRO HD- 3.50 (# 2607:25 Single Ambig)
&rst
ixpk= 2607, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1549,1550,1552,1553,
igr2=1546,1547,
&end
#
# 104 PRO HB+ 104 PRO HD- 5.50 (# 2608:25 Unique 2.65, 3.63 A)
&rst
ixpk= 2608, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1552,1553,
igr2=1546,1547,
&end
#
# 0 AMB 25-2:2609 105 ASP HA 5.50 (# 2609:25 Single Ambig)
&rst
ixpk= 2609, nxpk= 25, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1549,1550,1552,1553,
&end
#
# 105 ASP HB- 105 ASP HA 2.80 (# 2610:25 Unique 2.31, 2.71 A)
&rst
ixpk= 2610, nxpk= 25, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1563,1564,
&end
#
# 105 ASP HB+ 105 ASP HA 3.50 (# 2611:25 Unique 2.31, 2.71 A)
&rst
ixpk= 2611, nxpk= 25, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1563,1564,
&end
#
# 0 AMB 25-2:2612 105 ASP HA 4.50 (# 2612:25 Single Ambig)
&rst
ixpk= 2612, nxpk= 25, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1573,1574,1555,
&end
#
# 16 GLN HE2+ 105 ASP HA 4.50 (# 2615:25 Unique 2.81, 4.14 A)
&rst
ixpk= 2615, nxpk= 25, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 273, 274,
&end
#
# 0 AMB 25-2:2616 105 ASP HA 3.50 (# 2616:25 Single Ambig)
&rst
ixpk= 2616, nxpk= 25, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 655, 273, 274,
&end
#
# 107 GLN HN 105 ASP HA 4.50 (# 2617:25 Unique 3.73, 3.98 A)
&rst
ixpk= 2617, nxpk= 25, iat=1578,1561, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 106 GLY HN 105 ASP HA 3.50 (# 2618:25 Unique 2.14, 2.40 A)
&rst
ixpk= 2618, nxpk= 25, iat=1571,1561, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 GLN HE2- 105 ASP HB- 4.50 (# 2619:25 Unique 1.77, 4.10 A)
&rst
ixpk= 2619, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 273, 274,
igr2=1563,1564,
&end
#
# 105 ASP HA 105 ASP HB+ 2.80 (# 2620:25 Unique 2.31, 2.71 A)
&rst
ixpk= 2620, nxpk= 25, iat=1561, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1563,1564,
&end
#
# 0 AMB 25-2:2621 105 ASP HB- 5.50 (# 2621:25 Single Ambig)
&rst
ixpk= 2621, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1573,1574,1555,
igr2=1563,1564,
&end
#
# 106 GLY HN 106 GLY HA+ 4.50 (# 2624:25 Unique 2.25, 2.58 A)
&rst
ixpk= 2624, nxpk= 25, iat=1571, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1573,1574,
&end
#
# 106 GLY HN 106 GLY HA- 4.50 (# 2625:25 Unique 2.25, 2.58 A)
&rst
ixpk= 2625, nxpk= 25, iat=1571, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1573,1574,
&end
#
# 107 GLN HN 106 GLY HA+ 4.50 (# 2626:25 Unique 3.04, 3.37 A)
&rst
ixpk= 2626, nxpk= 25, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1573,1574,
&end
#
# 107 GLN HN 106 GLY HA- 4.50 (# 2627:25 Unique 3.04, 3.37 A)
&rst
ixpk= 2627, nxpk= 25, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1573,1574,
&end
#
# 107 GLN HG+ 106 GLY HA- 5.50 (# 2631:25 Unique 4.14, 5.61 A)
&rst
ixpk= 2631, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1585,1586,
igr2=1573,1574,
&end
#
# 111 VAL MGX 107 GLN HA 5.50 (# 2632:25 Unique 4.52, 6.28 A)
&rst
ixpk= 2632, nxpk= 25, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 0 AMB 25-2:2634 107 GLN HA 3.50 (# 2634:25 Single Ambig)
&rst
ixpk= 2634, nxpk= 25, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1582,1583,1585,1586,
&end
#
# 107 GLN HB+ 107 GLN HA 2.80 (# 2635:25 Unique 2.29, 2.54 A)
&rst
ixpk= 2635, nxpk= 25, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1582,1583,
&end
#
# 0 AMB 25-2:2636 107 GLN HA 5.50 (# 2636:25 Single Ambig)
&rst
ixpk= 2636, nxpk= 25, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1590,1591,1559,
&end
#
# 0 AMB 25-2:2637 0 AMB 25-1:2637 4.50 (# 2637:25 Double Ambig)
&rst
ixpk= 2637, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1599,1600,1597,
igr2=1582,1583,1582,1583,
&end
#
# 0 AMB 25-2:2638 0 AMB 25-1:2638 5.50 (# 2638:25 Double Ambig)
&rst
ixpk= 2638, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1599,1600,1546,1547,
igr2=1582,1583,1582,1583,
&end
#
# 104 PRO HA 107 GLN HG+ 3.50 (# 2640:25 Unique 2.06, 2.52 A)
&rst
ixpk= 2640, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1585,1586,
&end
#
# 107 GLN HE2- 107 GLN HG+ 4.50 (# 2641:25 Unique 2.21, 3.18 A)
&rst
ixpk= 2641, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1590,1591,
igr2=1585,1586,
&end
#
# 108 SER HB+ 108 SER HA 2.80 (# 2643:25 Unique 2.39, 2.73 A)
&rst
ixpk= 2643, nxpk= 25, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1599,1600,
&end
#
# 0 AMB 25-2:2644 108 SER HA 4.50 (# 2644:25 Single Ambig)
&rst
ixpk= 2644, nxpk= 25, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1632,1633,1585,1586,
&end
#
# 0 AMB 25-2:2645 108 SER HA 5.50 (# 2645:25 Single Ambig)
&rst
ixpk= 2645, nxpk= 25, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1582,1583,1629,1630,
&end
#
# 0 AMB 25-2:2646 108 SER HA 4.50 (# 2646:25 Single Ambig)
&rst
ixpk= 2646, nxpk= 25, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1613,1610,1611,
&end
#
# 109 LEU HB- 108 SER HA 5.50 (# 2647:25 Unique 4.16, 5.00 A)
&rst
ixpk= 2647, nxpk= 25, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1610,1611,
&end
#
# 109 LEU MDX 108 SER HA 5.50 (# 2649:25 Unique 3.10, 6.27 A)
&rst
ixpk= 2649, nxpk= 25, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1615,1616,1617,1619,1620,1621,
&end
#
# 111 VAL MGY 108 SER HB- 5.50 (# 2650:25 Unique 2.28, 5.90 A)
&rst
ixpk= 2650, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1599,1600,
&end
#
# 111 VAL MGY 108 SER HB+ 4.50 (# 2651:25 Unique 2.28, 5.90 A)
&rst
ixpk= 2651, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1599,1600,
&end
#
# 109 LEU HN 108 SER HB+ 4.50 (# 2652:25 Unique 2.43, 3.12 A)
&rst
ixpk= 2652, nxpk= 25, iat=1606, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1599,1600,
&end
#
# 111 VAL HN 108 SER HB- 5.50 (# 2653:25 Unique 2.84, 3.91 A)
&rst
ixpk= 2653, nxpk= 25, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1599,1600,
&end
#
# 111 VAL HN 108 SER HB+ 5.50 (# 2654:25 Unique 2.84, 3.91 A)
&rst
ixpk= 2654, nxpk= 25, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1599,1600,
&end
#
# 110 GLU HG+ 108 SER HB- 4.50 (# 2659:25 Unique 2.27, 4.11 A)
&rst
ixpk= 2659, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1632,1633,
igr2=1599,1600,
&end
#
# 0 AMB 25-2:2660 108 SER HB- 4.50 (# 2660:25 Single Ambig)
&rst
ixpk= 2660, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1582,1583,1585,1586,
igr2=1599,1600,
&end
#
# 0 AMB 25-2:2661 108 SER HB- 5.50 (# 2661:25 Single Ambig)
&rst
ixpk= 2661, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1610,1611,1613,
igr2=1599,1600,
&end
#
# 0 AMB 25-2:2662 109 LEU HA 5.50 (# 2662:25 Single Ambig)
&rst
ixpk= 2662, nxpk= 25, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 679, 680, 681,1552,1553,
&end
#
# 0 AMB 25-2:2663 109 LEU HA 2.80 (# 2663:25 Single Ambig)
&rst
ixpk= 2663, nxpk= 25, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1610,1611,1613,
&end
#
# 112 PHE HB+ 109 LEU HA 3.50 (# 2664:25 Unique 2.19, 3.71 A)
&rst
ixpk= 2664, nxpk= 25, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1660,1661,
&end
#
# 112 PHE HB- 109 LEU HA 4.50 (# 2665:25 Unique 2.19, 3.71 A)
&rst
ixpk= 2665, nxpk= 25, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1660,1661,
&end
#
# 112 PHE HD 109 LEU HA 4.50 (# 2666:25 Unique 2.00, 3.89 A)
&rst
ixpk= 2666, nxpk= 25, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1664,1672,
&end
#
# 0 AMB 25-2:2667 126 LEU HA 4.50 (# 2667:25 Single Ambig)
&rst
ixpk= 2667, nxpk= 25, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1948,1938,
&end
#
# 112 PHE HN 109 LEU HA 4.50 (# 2668:25 Unique 2.95, 3.25 A)
&rst
ixpk= 2668, nxpk= 25, iat=1656,1608, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2669 109 LEU HA 4.50 (# 2669:25 Single Ambig)
&rst
ixpk= 2669, nxpk= 25, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1606,1676,
&end
#
# 109 LEU HN 109 LEU HB+ 4.50 (# 2670:25 Unique 2.01, 2.74 A)
&rst
ixpk= 2670, nxpk= 25, iat=1606, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1610,1611,
&end
#
# 109 LEU HN 109 LEU HB- 5.50 (# 2671:25 Unique 2.01, 2.74 A)
&rst
ixpk= 2671, nxpk= 25, iat=1606, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 110 GLU HN 109 LEU HB- 5.50 (# 2672:25 Unique 2.56, 3.27 A)
&rst
ixpk= 2672, nxpk= 25, iat=1625, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 110 GLU HN 109 LEU HB+ 5.50 (# 2673:25 Unique 2.56, 3.27 A)
&rst
ixpk= 2673, nxpk= 25, iat=1625, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1610,1611,
&end
#
# 109 LEU HA 109 LEU HB- 3.50 (# 2674:25 Unique 2.40, 2.78 A)
&rst
ixpk= 2674, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1610,1611,
&end
#
# 109 LEU HA 109 LEU HB+ 3.50 (# 2675:25 Unique 2.40, 2.78 A)
&rst
ixpk= 2675, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1610,1611,
&end
#
# 109 LEU MDY 109 LEU HB- 3.50 (# 2678:25 Unique 2.34, 3.37 A)
&rst
ixpk= 2678, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1615,1616,1617,1619,1620,1621,
igr2=1610,1611,
&end
#
# 109 LEU MDX 109 LEU HB- 3.50 (# 2679:25 Unique 2.34, 3.37 A)
&rst
ixpk= 2679, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1615,1616,1617,1619,1620,1621,
igr2=1610,1611,
&end
#
# 109 LEU MDY 109 LEU HB+ 2.80 (# 2680:25 Unique 2.34, 3.37 A)
&rst
ixpk= 2680, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1615,1616,1617,1619,1620,1621,
igr2=1610,1611,
&end
#
# 0 AMB 25-2:2681 109 LEU HG 3.50 (# 2681:25 Single Ambig)
&rst
ixpk= 2681, nxpk= 25, iat= -1,1613, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1610,1611,1683,1684,
&end
#
# 109 LEU HN 109 LEU HG 4.50 (# 2682:25 Unique 2.20, 3.61 A)
&rst
ixpk= 2682, nxpk= 25, iat=1606,1613, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 PHE HD 109 LEU MDX 5.50 (# 2683:25 Unique 2.52, 6.45 A)
&rst
ixpk= 2683, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1664,1672,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 112 PHE HB+ 109 LEU MDX 3.50 (# 2684:25 Unique 2.60, 5.99 A)
&rst
ixpk= 2684, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1660,1661,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 49 MET HG+ 109 LEU MDX 4.50 (# 2685:25 Unique 2.61, 5.25 A)
&rst
ixpk= 2685, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 733, 734,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 0 AMB 25-2:2686 109 LEU MDX 2.80 (# 2686:25 Single Ambig)
&rst
ixpk= 2686, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1610,1611,1613,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 0 AMB 25-2:2687 109 LEU MDX 2.80 (# 2687:25 Single Ambig)
&rst
ixpk= 2687, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1610,1611,1683,1684,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 45 THR MG2 109 LEU MDX 3.50 (# 2688:25 Unique 2.56, 4.95 A)
&rst
ixpk= 2688, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 679, 680, 681,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 109 LEU HN 109 LEU MDY 5.50 (# 2689:25 Unique 1.87, 4.47 A)
&rst
ixpk= 2689, nxpk= 25, iat=1606, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 110 GLU HN 109 LEU MDY 5.50 (# 2690:25 Unique 4.20, 5.68 A)
&rst
ixpk= 2690, nxpk= 25, iat=1625, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 73 TYR HD 73 TYR HA 4.50 (# 2692:25 Unique 3.07, 3.47 A)
&rst
ixpk= 2692, nxpk= 25, iat= -1,1067, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1073,1082,
&end
#
# 113 ARG HD- 110 GLU HA 4.50 (# 2693:25 Unique 2.13, 3.45 A)
&rst
ixpk= 2693, nxpk= 25, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1686,1687,
&end
#
# 110 GLU HG+ 110 GLU HA 3.50 (# 2694:25 Unique 2.46, 3.54 A)
&rst
ixpk= 2694, nxpk= 25, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1632,1633,
&end
#
# 110 GLU HB+ 110 GLU HA 2.80 (# 2695:25 Unique 2.34, 2.57 A)
&rst
ixpk= 2695, nxpk= 25, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1629,1630,
&end
#
# 108 SER HB- 110 GLU HB+ 4.50 (# 2696:25 Unique 2.84, 4.77 A)
&rst
ixpk= 2696, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1599,1600,
igr2=1629,1630,
&end
#
# 47 ILE HA 50 MET HB+ 5.50 (# 2698:25 Unique 2.39, 3.51 A)
&rst
ixpk= 2698, nxpk= 25, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 747, 748,
&end
#
# 109 LEU HB- 110 GLU HB+ 5.50 (# 2699:25 Unique 4.09, 5.75 A)
&rst
ixpk= 2699, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1610,1611,
igr2=1629,1630,
&end
#
# 114 THR HB 111 VAL HA 2.80 (# 2701:25 Unique 2.07, 2.15 A)
&rst
ixpk= 2701, nxpk= 25, iat=1704,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 25-2:2703 111 VAL HA 5.50 (# 2703:25 Single Ambig)
&rst
ixpk= 2703, nxpk= 25, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1627,1599,1600,
&end
#
# 111 VAL HB 111 VAL HA 3.50 (# 2704:25 Unique 2.99, 3.01 A)
&rst
ixpk= 2704, nxpk= 25, iat=1644,1642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLU HG- 34 SER HB- 4.50 (# 2705:25 Unique 2.33, 4.29 A)
&rst
ixpk= 2705, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 312, 313,
igr2= 521, 522,
&end
#
# 111 VAL MGY 111 VAL HA 2.80 (# 2706:25 Unique 2.36, 3.13 A)
&rst
ixpk= 2706, nxpk= 25, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 115 VAL MGY 111 VAL HA 3.50 (# 2707:25 Unique 3.44, 5.95 A)
&rst
ixpk= 2707, nxpk= 25, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1720,1721,1722,1724,1725,1726,
&end
#
# 111 VAL MGX 111 VAL HA 2.80 (# 2708:25 Unique 2.36, 3.13 A)
&rst
ixpk= 2708, nxpk= 25, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 104 PRO HB+ 111 VAL HB 5.50 (# 2709:25 Unique 2.53, 3.25 A)
&rst
ixpk= 2709, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1552,1553,
&end
#
# 104 PRO HG+ 111 VAL HB 5.50 (# 2710:25 Unique 4.86, 5.49 A)
&rst
ixpk= 2710, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1549,1550,
&end
#
# 21 PHE HB+ 123 VAL HB 4.50 (# 2711:25 Unique 2.70, 3.56 A)
&rst
ixpk= 2711, nxpk= 25, iat= -1,1859, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 331, 332,
&end
#
# 119 VAL HA 123 VAL HB 5.50 (# 2712:25 Unique 4.63, 5.36 A)
&rst
ixpk= 2712, nxpk= 25, iat=1780,1859, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2713 0 AMB 25-1:2713 4.50 (# 2713:25 Double Ambig)
&rst
ixpk= 2713, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 349,1546,1547,1818,
igr2=1859,1644,
&end
#
# 125 ASN HN 123 VAL HB 5.50 (# 2716:25 Unique 5.13, 5.26 A)
&rst
ixpk= 2716, nxpk= 25, iat=1886,1859, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2717 0 AMB 25-1:2717 2.80 (# 2717:25 Double Ambig)
&rst
ixpk= 2717, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1642, 521, 522,
igr2=1646,1647,1648,1650,1651,1652, 493, 494, 495, 497,
498, 499,
&end
#
# 0 AMB 25-2:2718 0 AMB 25-1:2718 2.80 (# 2718:25 Double Ambig)
&rst
ixpk= 2718, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1644,1859,
igr2=1646,1647,1648,1650,1651,1652, 402, 403, 404, 406,
407, 408,
&end
#
# 107 GLN HG+ 111 VAL MGX 3.50 (# 2720:25 Unique 2.25, 4.40 A)
&rst
ixpk= 2720, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1585,1586,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 111 VAL HA 111 VAL MGX 2.80 (# 2724:25 Unique 2.36, 3.13 A)
&rst
ixpk= 2724, nxpk= 25, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 104 PRO HA 111 VAL MGX 2.80 (# 2725:25 Unique 2.57, 4.30 A)
&rst
ixpk= 2725, nxpk= 25, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 108 SER HB- 111 VAL MGX 5.50 (# 2726:25 Unique 2.28, 5.90 A)
&rst
ixpk= 2726, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1599,1600,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 107 GLN HE2+ 111 VAL MGX 4.50 (# 2727:25 Unique 2.60, 5.19 A)
&rst
ixpk= 2727, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1590,1591,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 115 VAL HN 111 VAL MGX 4.50 (# 2728:25 Unique 4.00, 5.80 A)
&rst
ixpk= 2728, nxpk= 25, iat=1714, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 112 PHE HD 112 PHE HA 3.50 (# 2730:25 Unique 2.58, 3.60 A)
&rst
ixpk= 2730, nxpk= 25, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1664,1672,
&end
#
# 115 VAL HB 112 PHE HA 3.50 (# 2732:25 Unique 2.60, 2.78 A)
&rst
ixpk= 2732, nxpk= 25, iat=1718,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 ARG HG- 112 PHE HA 5.50 (# 2733:25 Unique 5.11, 5.92 A)
&rst
ixpk= 2733, nxpk= 25, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1683,1684,
&end
#
# 0 AMB 25-2:2734 112 PHE HA 3.50 (# 2734:25 Single Ambig)
&rst
ixpk= 2734, nxpk= 25, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1549,1550,1552,1553,
&end
#
# 111 VAL MGX 112 PHE HA 4.50 (# 2735:25 Unique 4.15, 5.99 A)
&rst
ixpk= 2735, nxpk= 25, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 104 PRO HB+ 112 PHE HA 4.50 (# 2737:25 Unique 2.18, 2.84 A)
&rst
ixpk= 2737, nxpk= 25, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1552,1553,
&end
#
# 0 AMB 25-2:2738 0 AMB 25-1:2738 5.50 (# 2738:25 Double Ambig)
&rst
ixpk= 2738, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1552,1553, 679, 680, 681,
igr2=1660,1661,1660,1661,
&end
#
# 109 LEU MDX 112 PHE HB+ 5.50 (# 2739:25 Unique 2.60, 5.99 A)
&rst
ixpk= 2739, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1615,1616,1617,1619,1620,1621,
igr2=1660,1661,
&end
#
# 109 LEU MDX 112 PHE HB- 5.50 (# 2740:25 Unique 2.60, 5.99 A)
&rst
ixpk= 2740, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1615,1616,1617,1619,1620,1621,
igr2=1660,1661,
&end
#
# 0 AMB 25-2:2741 112 PHE HB- 5.50 (# 2741:25 Single Ambig)
&rst
ixpk= 2741, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1552,1553, 679, 680, 681,
igr2=1660,1661,
&end
#
# 0 AMB 25-2:2742 0 AMB 25-1:2742 5.50 (# 2742:25 Double Ambig)
&rst
ixpk= 2742, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1737,1738,1680,1681, 737, 738, 739,
igr2=1660,1661,1660,1661,1660,1661,
&end
#
# 49 MET HG+ 112 PHE HB+ 5.50 (# 2743:25 Unique 2.05, 3.08 A)
&rst
ixpk= 2743, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 733, 734,
igr2=1660,1661,
&end
#
# 0 AMB 25-2:2744 112 PHE HB- 4.50 (# 2744:25 Single Ambig)
&rst
ixpk= 2744, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1=1737,1738,1680,1681, 737, 738, 739,
igr2=1660,1661,
&end
#
# 49 MET HG+ 112 PHE HB- 3.50 (# 2745:25 Unique 2.05, 3.08 A)
&rst
ixpk= 2745, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 733, 734,
igr2=1660,1661,
&end
#
# 112 PHE HA 112 PHE HB+ 4.50 (# 2746:25 Unique 2.41, 2.78 A)
&rst
ixpk= 2746, nxpk= 25, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1660,1661,
&end
#
# 112 PHE HA 112 PHE HB- 5.50 (# 2747:25 Unique 2.41, 2.78 A)
&rst
ixpk= 2747, nxpk= 25, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1660,1661,
&end
#
# 109 LEU HA 112 PHE HB+ 3.50 (# 2750:25 Unique 2.19, 3.71 A)
&rst
ixpk= 2750, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1660,1661,
&end
#
# 109 LEU HA 112 PHE HB- 4.50 (# 2751:25 Unique 2.19, 3.71 A)
&rst
ixpk= 2751, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1660,1661,
&end
#
# 112 PHE HD 112 PHE HB+ 3.50 (# 2752:25 Unique 2.29, 3.09 A)
&rst
ixpk= 2752, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1664,1672,
igr2=1660,1661,
&end
#
# 112 PHE HD 112 PHE HB- 3.50 (# 2753:25 Unique 2.29, 3.09 A)
&rst
ixpk= 2753, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1664,1672,
igr2=1660,1661,
&end
#
# 112 PHE HN 112 PHE HB+ 3.50 (# 2754:25 Unique 2.39, 3.07 A)
&rst
ixpk= 2754, nxpk= 25, iat=1656, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1660,1661,
&end
#
# 112 PHE HN 112 PHE HB- 3.50 (# 2755:25 Unique 2.39, 3.07 A)
&rst
ixpk= 2755, nxpk= 25, iat=1656, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1660,1661,
&end
#
# 113 ARG HN 112 PHE HB+ 4.50 (# 2756:25 Unique 2.30, 2.96 A)
&rst
ixpk= 2756, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1660,1661,
&end
#
# 113 ARG HN 112 PHE HB- 4.50 (# 2757:25 Unique 2.30, 2.96 A)
&rst
ixpk= 2757, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1660,1661,
&end
#
# 114 THR HN 113 ARG HA 4.50 (# 2758:25 Unique 3.60, 3.62 A)
&rst
ixpk= 2758, nxpk= 25, iat=1700,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2759 113 ARG HA 4.50 (# 2759:25 Single Ambig)
&rst
ixpk= 2759, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1660,1661,1686,1687,
&end
#
# 116 ARG HB- 113 ARG HA 4.50 (# 2760:25 Unique 3.09, 4.28 A)
&rst
ixpk= 2760, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1734,1735,
&end
#
# 113 ARG HG+ 113 ARG HA 4.50 (# 2761:25 Unique 2.47, 2.68 A)
&rst
ixpk= 2761, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1683,1684,
&end
#
# 0 AMB 25-2:2762 113 ARG HA 2.80 (# 2762:25 Single Ambig)
&rst
ixpk= 2762, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1737,1738,1680,1681,1734,1735,
&end
#
# 113 ARG HG- 113 ARG HA 3.50 (# 2763:25 Unique 2.47, 2.68 A)
&rst
ixpk= 2763, nxpk= 25, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1683,1684,
&end
#
# 113 ARG HN 113 ARG HB- 4.50 (# 2764:25 Unique 2.28, 2.95 A)
&rst
ixpk= 2764, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1680,1681,
&end
#
# 113 ARG HD+ 113 ARG HB- 4.50 (# 2765:25 Unique 2.42, 2.86 A)
&rst
ixpk= 2765, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1686,1687,
igr2=1680,1681,
&end
#
# 112 PHE HB- 113 ARG HG- 3.50 (# 2771:25 Unique 2.96, 4.31 A)
&rst
ixpk= 2771, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1660,1661,
igr2=1683,1684,
&end
#
# 0 AMB 25-2:2772 0 AMB 25-1:2772 3.50 (# 2772:25 Double Ambig)
&rst
ixpk= 2772, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1278,1279,1678,
igr2=1270,1271,1683,1684,
&end
#
# 117 GLY HA- 120 LYS HB- 4.50 (# 2774:25 Unique 2.68, 4.09 A)
&rst
ixpk= 2774, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1756,1757,
igr2=1798,1799,
&end
#
# 110 GLU HA 113 ARG HG- 5.50 (# 2775:25 Unique 3.86, 4.82 A)
&rst
ixpk= 2775, nxpk= 25, iat=1627, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1683,1684,
&end
#
# 82 SER HN 84 VAL HB 5.50 (# 2779:25 Unique 2.91, 5.29 A)
&rst
ixpk= 2779, nxpk= 25, iat=1196,1218, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2780 0 AMB 25-1:2780 5.50 (# 2780:25 Double Ambig)
&rst
ixpk= 2780, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1700,1656,
igr2=1683,1684,1683,1684,
&end
#
# 113 ARG HN 113 ARG HG+ 3.50 (# 2781:25 Unique 2.27, 3.03 A)
&rst
ixpk= 2781, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1683,1684,
&end
#
# 113 ARG HN 113 ARG HG- 4.50 (# 2782:25 Unique 2.27, 3.03 A)
&rst
ixpk= 2782, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1683,1684,
&end
#
# 113 ARG HE 113 ARG HG- 5.50 (# 2783:25 Unique 2.30, 2.51 A)
&rst
ixpk= 2783, nxpk= 25, iat=1689, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1683,1684,
&end
#
# 113 ARG HE 113 ARG HG+ 5.50 (# 2784:25 Unique 2.30, 2.51 A)
&rst
ixpk= 2784, nxpk= 25, iat=1689, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1683,1684,
&end
#
# 113 ARG HN 113 ARG HD- 5.50 (# 2785:25 Unique 3.27, 3.99 A)
&rst
ixpk= 2785, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1686,1687,
&end
#
# 113 ARG HN 113 ARG HD+ 5.50 (# 2786:25 Unique 3.27, 3.99 A)
&rst
ixpk= 2786, nxpk= 25, iat=1676, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1686,1687,
&end
#
# 113 ARG HE 113 ARG HD- 4.50 (# 2787:25 Unique 2.71, 2.83 A)
&rst
ixpk= 2787, nxpk= 25, iat=1689, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1686,1687,
&end
#
# 113 ARG HE 113 ARG HD+ 4.50 (# 2788:25 Unique 2.71, 2.83 A)
&rst
ixpk= 2788, nxpk= 25, iat=1689, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1686,1687,
&end
#
# 109 LEU HA 113 ARG HD- 4.50 (# 2793:25 Unique 4.60, 5.50 A)
&rst
ixpk= 2793, nxpk= 25, iat=1608, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1686,1687,
&end
#
# 113 ARG HG+ 113 ARG HD- 3.50 (# 2795:25 Unique 2.36, 2.75 A)
&rst
ixpk= 2795, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1683,1684,
igr2=1686,1687,
&end
#
# 113 ARG HG+ 113 ARG HD+ 4.50 (# 2796:25 Unique 2.36, 2.75 A)
&rst
ixpk= 2796, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1683,1684,
igr2=1686,1687,
&end
#
# 113 ARG HG- 113 ARG HD+ 2.80 (# 2797:25 Unique 2.36, 2.75 A)
&rst
ixpk= 2797, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1683,1684,
igr2=1686,1687,
&end
#
# 0 AMB 25-2:2798 114 THR HA 5.50 (# 2798:25 Single Ambig)
&rst
ixpk= 2798, nxpk= 25, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
&end
#
# 0 AMB 25-2:2799 114 THR HA 4.50 (# 2799:25 Single Ambig)
&rst
ixpk= 2799, nxpk= 25, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1680,1681,1734,1735,1765,1766,
&end
#
# 118 GLN HG+ 114 THR HA 5.50 (# 2800:25 Unique 3.68, 4.79 A)
&rst
ixpk= 2800, nxpk= 25, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1768,1769,
&end
#
# 114 THR HB 114 THR HA 3.50 (# 2801:25 Unique 3.03, 3.03 A)
&rst
ixpk= 2801, nxpk= 25, iat=1704,1702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:2803 114 THR HA 4.50 (# 2803:25 Single Ambig)
&rst
ixpk= 2803, nxpk= 25, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1754,1761,
&end
#
# 115 VAL HN 114 THR HA 4.50 (# 2804:25 Unique 3.60, 3.62 A)
&rst
ixpk= 2804, nxpk= 25, iat=1714,1702, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 114 THR HA 114 THR HB 3.50 (# 2806:25 Unique 3.03, 3.03 A)
&rst
ixpk= 2806, nxpk= 25, iat=1702,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 VAL HA 114 THR HB 2.80 (# 2807:25 Unique 2.07, 2.15 A)
&rst
ixpk= 2807, nxpk= 25, iat=1642,1704, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 GLU HG+ 114 THR HB 5.50 (# 2808:25 Unique 4.41, 5.86 A)
&rst
ixpk= 2808, nxpk= 25, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1632,1633,
&end
#
# 0 AMB 25-2:2809 114 THR HB 4.50 (# 2809:25 Single Ambig)
&rst
ixpk= 2809, nxpk= 25, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1718,1680,1681,1765,1766,
&end
#
# 0 AMB 25-2:2810 114 THR HB 4.50 (# 2810:25 Single Ambig)
&rst
ixpk= 2810, nxpk= 25, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
&end
#
# 111 VAL MGX 114 THR HB 5.50 (# 2811:25 Unique 3.43, 4.80 A)
&rst
ixpk= 2811, nxpk= 25, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 116 ARG HN 115 VAL HA 3.50 (# 2812:25 Unique 3.52, 3.56 A)
&rst
ixpk= 2812, nxpk= 25, iat=1730,1716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 VAL HN 115 VAL HA 2.80 (# 2813:25 Unique 2.80, 2.81 A)
&rst
ixpk= 2813, nxpk= 25, iat=1714,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 114 THR HB 115 VAL HA 5.50 (# 2814:25 Unique 4.37, 4.46 A)
&rst
ixpk= 2814, nxpk= 25, iat=1704,1716, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 GLN HB+ 115 VAL HA 2.80 (# 2815:25 Unique 2.14, 3.20 A)
&rst
ixpk= 2815, nxpk= 25, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1765,1766,
&end
#
# 0 AMB 25-2:2816 115 VAL HA 2.80 (# 2816:25 Single Ambig)
&rst
ixpk= 2816, nxpk= 25, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1765,1766,1718,
&end
#
# 126 LEU HG 123 VAL HA 4.50 (# 2817:25 Unique 4.07, 4.51 A)
&rst
ixpk= 2817, nxpk= 25, iat=1907,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:2818 115 VAL HA 5.50 (# 2818:25 Single Ambig)
&rst
ixpk= 2818, nxpk= 25, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1522,1523,1503,1504,
&end
#
# 0 AMB 25-2:2819 115 VAL HA 3.50 (# 2819:25 Single Ambig)
&rst
ixpk= 2819, nxpk= 25, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1706,1707,1708,1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 25-2:2820 115 VAL HA 2.80 (# 2820:25 Single Ambig)
&rst
ixpk= 2820, nxpk= 25, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
&end
#
# 0 AMB 25-2:2821 115 VAL HB 4.50 (# 2821:25 Single Ambig)
&rst
ixpk= 2821, nxpk= 25, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1700,1656,
&end
#
# 0 AMB 25-2:2822 115 VAL HB 5.50 (# 2822:25 Single Ambig)
&rst
ixpk= 2822, nxpk= 25, iat= -1,1718, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1754,1761,
&end
#
# 0 AMB 25-2:2823 115 VAL MGX 5.50 (# 2823:25 Single Ambig)
&rst
ixpk= 2823, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1700,1656,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 25-2:2824 115 VAL MGX 4.50 (# 2824:25 Single Ambig)
&rst
ixpk= 2824, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1761,1754,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 107 GLN HE2+ 115 VAL MGX 5.50 (# 2825:25 Unique 4.60, 7.76 A)
&rst
ixpk= 2825, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1590,1591,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 101 LEU HA 115 VAL MGX 4.50 (# 2827:25 Unique 4.22, 6.25 A)
&rst
ixpk= 2827, nxpk= 25, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 115 VAL HA 115 VAL MGX 2.80 (# 2828:25 Unique 2.31, 3.12 A)
&rst
ixpk= 2828, nxpk= 25, iat=1716, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 25-2:2830 115 VAL MGX 3.50 (# 2830:25 Single Ambig)
&rst
ixpk= 2830, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1765,1766,1782,1537,1538,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 25-2:2831 115 VAL MGX 2.80 (# 2831:25 Single Ambig)
&rst
ixpk= 2831, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1718,1765,1766,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 116 ARG HN 115 VAL MGY 4.50 (# 2832:25 Unique 3.56, 4.79 A)
&rst
ixpk= 2832, nxpk= 25, iat=1730, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 25-2:2834 115 VAL MGY 5.50 (# 2834:25 Single Ambig)
&rst
ixpk= 2834, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1700,1656,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 25-2:2835 115 VAL MGY 5.50 (# 2835:25 Single Ambig)
&rst
ixpk= 2835, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1761,1754,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 118 GLN HE2- 115 VAL MGY 5.50 (# 2837:25 Unique 2.98, 7.42 A)
&rst
ixpk= 2837, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1773,1774,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 114 THR HB 115 VAL MGY 3.50 (# 2839:25 Unique 3.10, 5.53 A)
&rst
ixpk= 2839, nxpk= 25, iat=1704, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 104 PRO HD- 115 VAL MGY 3.50 (# 2840:25 Unique 2.03, 3.85 A)
&rst
ixpk= 2840, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1546,1547,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 115 VAL HA 115 VAL MGY 2.80 (# 2841:25 Unique 2.31, 3.12 A)
&rst
ixpk= 2841, nxpk= 25, iat=1716, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 25-2:2842 115 VAL MGY 4.50 (# 2842:25 Single Ambig)
&rst
ixpk= 2842, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1765,1766,1782,1537,1538,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 25-2:2843 115 VAL MGY 4.50 (# 2843:25 Single Ambig)
&rst
ixpk= 2843, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1644,1737,1738,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 115 VAL HB 115 VAL MGY 2.80 (# 2845:25 Unique 2.26, 2.68 A)
&rst
ixpk= 2845, nxpk= 25, iat=1718, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1720,1721,1722,1724,1725,1726,
&end
#
# 116 ARG HN 116 ARG HB- 3.50 (# 2846:25 Unique 2.27, 3.07 A)
&rst
ixpk= 2846, nxpk= 25, iat=1730, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1734,1735,
&end
#
# 21 PHE HE 116 ARG HB+ 5.50 (# 2847:25 Unique 2.45, 4.88 A)
&rst
ixpk= 2847, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 337, 341,
igr2=1734,1735,
&end
#
# 0 AMB 25-2:2850 116 ARG HB- 4.50 (# 2850:25 Single Ambig)
&rst
ixpk= 2850, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1678,1756,1757,
igr2=1734,1735,
&end
#
# 116 ARG HA 119 VAL HB 4.50 (# 2851:25 Unique 2.83, 3.20 A)
&rst
ixpk= 2851, nxpk= 25, iat=1732,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 VAL HA 119 VAL HB 3.50 (# 2853:25 Unique 3.04, 3.05 A)
&rst
ixpk= 2853, nxpk= 25, iat=1780,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 ALA HA 119 VAL HB 5.50 (# 2854:25 Unique 4.30, 4.61 A)
&rst
ixpk= 2854, nxpk= 25, iat= 297,1782, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 ARG HD- 116 ARG HB+ 3.50 (# 2855:25 Unique 2.13, 3.21 A)
&rst
ixpk= 2855, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1740,1741,
igr2=1734,1735,
&end
#
# 117 GLY HN 116 ARG HB+ 4.50 (# 2859:25 Unique 2.41, 3.06 A)
&rst
ixpk= 2859, nxpk= 25, iat=1754, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1734,1735,
&end
#
# 117 GLY HN 116 ARG HB- 3.50 (# 2860:25 Unique 2.41, 3.06 A)
&rst
ixpk= 2860, nxpk= 25, iat=1754, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1734,1735,
&end
#
# 116 ARG HN 116 ARG HG+ 5.50 (# 2861:25 Unique 2.42, 2.98 A)
&rst
ixpk= 2861, nxpk= 25, iat=1730, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1737,1738,
&end
#
# 21 PHE HE 116 ARG HG- 3.50 (# 2862:25 Unique 2.35, 5.38 A)
&rst
ixpk= 2862, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 337, 341,
igr2=1737,1738,
&end
#
# 21 PHE HE 116 ARG HG+ 4.50 (# 2863:25 Unique 2.35, 5.38 A)
&rst
ixpk= 2863, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 337, 341,
igr2=1737,1738,
&end
#
# 21 PHE HD 116 ARG HG- 5.50 (# 2864:25 Unique 4.41, 7.10 A)
&rst
ixpk= 2864, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 335, 343,
igr2=1737,1738,
&end
#
# 116 ARG HA 116 ARG HG- 4.50 (# 2866:25 Unique 2.22, 2.83 A)
&rst
ixpk= 2866, nxpk= 25, iat=1732, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1737,1738,
&end
#
# 116 ARG HD+ 116 ARG HG- 4.50 (# 2867:25 Unique 2.22, 2.66 A)
&rst
ixpk= 2867, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1740,1741,
igr2=1737,1738,
&end
#
# 116 ARG HD+ 116 ARG HG+ 5.50 (# 2868:25 Unique 2.22, 2.66 A)
&rst
ixpk= 2868, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1740,1741,
igr2=1737,1738,
&end
#
# 116 ARG HD- 116 ARG HG+ 5.50 (# 2869:25 Unique 2.22, 2.66 A)
&rst
ixpk= 2869, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1740,1741,
igr2=1737,1738,
&end
#
# 116 ARG HD- 116 ARG HG- 5.50 (# 2870:25 Unique 2.22, 2.66 A)
&rst
ixpk= 2870, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1740,1741,
igr2=1737,1738,
&end
#
# 116 ARG HB- 116 ARG HG- 3.50 (# 2871:25 Unique 2.32, 2.77 A)
&rst
ixpk= 2871, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1734,1735,
igr2=1737,1738,
&end
#
# 53 VAL MGX 116 ARG HG- 5.50 (# 2874:25 Unique 3.16, 5.97 A)
&rst
ixpk= 2874, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 796, 797, 798, 800, 801, 802,
igr2=1737,1738,
&end
#
# 53 VAL MGX 116 ARG HD+ 3.50 (# 2875:25 Unique 2.11, 3.90 A)
&rst
ixpk= 2875, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 796, 797, 798, 800, 801, 802,
igr2=1740,1741,
&end
#
# 53 VAL MGX 116 ARG HD- 5.50 (# 2876:25 Unique 2.11, 3.90 A)
&rst
ixpk= 2876, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 796, 797, 798, 800, 801, 802,
igr2=1740,1741,
&end
#
# 49 MET HB- 116 ARG HD+ 5.50 (# 2877:25 Unique 3.68, 5.41 A)
&rst
ixpk= 2877, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 730, 731,
igr2=1740,1741,
&end
#
# 49 MET HB- 116 ARG HD- 4.50 (# 2878:25 Unique 3.68, 5.41 A)
&rst
ixpk= 2878, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 730, 731,
igr2=1740,1741,
&end
#
# 0 AMB 25-2:2879 0 AMB 25-1:2879 3.50 (# 2879:25 Double Ambig)
&rst
ixpk= 2879, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1734,1735,1737,1738,
igr2=1740,1741,1740,1741,
&end
#
# 0 AMB 25-2:2880 0 AMB 25-1:2880 3.50 (# 2880:25 Double Ambig)
&rst
ixpk= 2880, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1737,1738, 750, 751,
igr2=1740,1741,1740,1741,
&end
#
# 0 AMB 25-2:2881 116 ARG HD- 3.50 (# 2881:25 Single Ambig)
&rst
ixpk= 2881, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1734,1735,1737,1738,
igr2=1740,1741,
&end
#
# 0 AMB 25-2:2882 116 ARG HD- 3.50 (# 2882:25 Single Ambig)
&rst
ixpk= 2882, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1737,1738, 750, 751,
igr2=1740,1741,
&end
#
# 116 ARG HB- 116 ARG HD+ 5.50 (# 2883:25 Unique 2.13, 3.21 A)
&rst
ixpk= 2883, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1734,1735,
igr2=1740,1741,
&end
#
# 116 ARG HB- 116 ARG HD- 4.50 (# 2885:25 Unique 2.13, 3.21 A)
&rst
ixpk= 2885, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1734,1735,
igr2=1740,1741,
&end
#
# 116 ARG HA 116 ARG HD- 5.50 (# 2888:25 Unique 3.74, 4.18 A)
&rst
ixpk= 2888, nxpk= 25, iat=1732, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1740,1741,
&end
#
# 21 PHE HD 116 ARG HD+ 5.50 (# 2891:25 Unique 5.22, 6.68 A)
&rst
ixpk= 2891, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 335, 343,
igr2=1740,1741,
&end
#
# 21 PHE HE 116 ARG HD+ 5.50 (# 2893:25 Unique 3.19, 4.82 A)
&rst
ixpk= 2893, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 337, 341,
igr2=1740,1741,
&end
#
# 116 ARG HE 116 ARG HD+ 5.50 (# 2895:25 Unique 2.20, 2.58 A)
&rst
ixpk= 2895, nxpk= 25, iat=1743, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1740,1741,
&end
#
# 116 ARG HE 116 ARG HD- 5.50 (# 2896:25 Unique 2.20, 2.58 A)
&rst
ixpk= 2896, nxpk= 25, iat=1743, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1740,1741,
&end
#
# 116 ARG HN 116 ARG HD+ 5.50 (# 2897:25 Unique 4.54, 5.01 A)
&rst
ixpk= 2897, nxpk= 25, iat=1730, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1740,1741,
&end
#
# 119 VAL HN 117 GLY HA- 5.50 (# 2898:25 Unique 4.78, 5.08 A)
&rst
ixpk= 2898, nxpk= 25, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1756,1757,
&end
#
# 119 VAL HN 117 GLY HA+ 5.50 (# 2899:25 Unique 4.78, 5.08 A)
&rst
ixpk= 2899, nxpk= 25, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1756,1757,
&end
#
# 0 AMB 25-2:2901 117 GLY HA- 5.50 (# 2901:25 Single Ambig)
&rst
ixpk= 2901, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1816, 337, 341,
igr2=1756,1757,
&end
#
# 0 AMB 25-2:2902 0 AMB 25-1:2902 5.50 (# 2902:25 Double Ambig)
&rst
ixpk= 2902, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1816, 337, 341,
igr2=1756,1757,1756,1757,
&end
#
# 116 ARG HB- 117 GLY HA- 4.50 (# 2905:25 Unique 4.06, 4.66 A)
&rst
ixpk= 2905, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1734,1735,
igr2=1756,1757,
&end
#
# 0 AMB 25-2:2906 0 AMB 25-1:2906 5.50 (# 2906:25 Double Ambig)
&rst
ixpk= 2906, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1765,1766,1782,
igr2=1756,1757,1756,1757,
&end
#
# 116 ARG HG- 117 GLY HA+ 5.50 (# 2908:25 Unique 4.50, 6.67 A)
&rst
ixpk= 2908, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1737,1738,
igr2=1756,1757,
&end
#
# 0 AMB 25-2:2909 117 GLY HA- 5.50 (# 2909:25 Single Ambig)
&rst
ixpk= 2909, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1734,1735,1737,1738,1820,1821,1765,1766,
igr2=1756,1757,
&end
#
# 0 AMB 25-2:2910 0 AMB 25-1:2910 5.50 (# 2910:25 Double Ambig)
&rst
ixpk= 2910, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.00, r4=11.75,
igr1=1734,1735,1737,1738,1820,1821,1765,1766,
igr2=1756,1757,1756,1757,1756,1757,1756,1757,
&end
#
# 0 AMB 25-2:2911 117 GLY HA- 3.50 (# 2911:25 Single Ambig)
&rst
ixpk= 2911, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1798,1799,1804,1805,
igr2=1756,1757,
&end
#
# 0 AMB 25-2:2912 0 AMB 25-1:2912 4.50 (# 2912:25 Double Ambig)
&rst
ixpk= 2912, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1798,1799,1804,1805,
igr2=1756,1757,1756,1757,
&end
#
# 120 LYS HB+ 117 GLY HA- 5.50 (# 2913:25 Unique 2.68, 4.09 A)
&rst
ixpk= 2913, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1798,1799,
igr2=1756,1757,
&end
#
# 120 LYS HB+ 117 GLY HA+ 4.50 (# 2914:25 Unique 2.68, 4.09 A)
&rst
ixpk= 2914, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1798,1799,
igr2=1756,1757,
&end
#
# 11 ASN HN 11 ASN HA 4.50 (# 2918:25 Unique 2.22, 2.80 A)
&rst
ixpk= 2918, nxpk= 25, iat= 190, 192, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 CYS HN 80 CYS HA 3.50 (# 2919:25 Unique 2.22, 2.85 A)
&rst
ixpk= 2919, nxpk= 25, iat=1179,1181, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 ASN HD2+ 11 ASN HA 5.50 (# 2920:25 Unique 3.14, 4.23 A)
&rst
ixpk= 2920, nxpk= 25, iat= -1, 192, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 199, 200,
&end
#
# 119 VAL HA 118 GLN HA 5.50 (# 2922:25 Unique 4.64, 4.80 A)
&rst
ixpk= 2922, nxpk= 25, iat=1780,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 GLN HG+ 118 GLN HA 2.80 (# 2923:25 Unique 2.37, 3.17 A)
&rst
ixpk= 2923, nxpk= 25, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1768,1769,
&end
#
# 118 GLN HG- 118 GLN HA 3.50 (# 2924:25 Unique 2.37, 3.17 A)
&rst
ixpk= 2924, nxpk= 25, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1768,1769,
&end
#
# 0 AMB 25-2:2925 118 GLN HA 2.80 (# 2925:25 Single Ambig)
&rst
ixpk= 2925, nxpk= 25, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1765,1766,1820,1821,
&end
#
# 0 AMB 25-2:2926 118 GLN HA 4.50 (# 2926:25 Single Ambig)
&rst
ixpk= 2926, nxpk= 25, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1784,1785,1786,1788,1789,1790,1706,1707,1708,
&end
#
# 0 AMB 25-2:2930 0 AMB 25-1:2930 2.80 (# 2930:25 Double Ambig)
&rst
ixpk= 2930, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1=1508,1509,1510,1512,1513,1514,1720,1721,1722,1724,
1725,1726,1720,1721,1722,1724,1725,1726,
igr2=1765,1766,1765,1766,1765,1766,
&end
#
# 0 AMB 25-2:2931 0 AMB 25-1:2931 3.50 (# 2931:25 Double Ambig)
&rst
ixpk= 2931, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1784,1785,1786,1788,1789,1790,1706,1707,1708,
igr2=1765,1766,1765,1766,
&end
#
# 119 VAL HA 118 GLN HB+ 5.50 (# 2934:25 Unique 3.92, 4.34 A)
&rst
ixpk= 2934, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1765,1766,
&end
#
# 119 VAL HA 118 GLN HB- 5.50 (# 2935:25 Unique 3.92, 4.34 A)
&rst
ixpk= 2935, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1765,1766,
&end
#
# 115 VAL HA 118 GLN HB+ 2.80 (# 2936:25 Unique 2.14, 3.20 A)
&rst
ixpk= 2936, nxpk= 25, iat=1716, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1765,1766,
&end
#
# 118 GLN HE2+ 118 GLN HB+ 4.50 (# 2937:25 Unique 2.24, 4.21 A)
&rst
ixpk= 2937, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1773,1774,
igr2=1765,1766,
&end
#
# 119 VAL HN 118 GLN HB+ 3.50 (# 2938:25 Unique 2.12, 2.79 A)
&rst
ixpk= 2938, nxpk= 25, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1765,1766,
&end
#
# 119 VAL HN 118 GLN HB- 3.50 (# 2939:25 Unique 2.12, 2.79 A)
&rst
ixpk= 2939, nxpk= 25, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1765,1766,
&end
#
# 119 VAL HN 118 GLN HG+ 5.50 (# 2940:25 Unique 3.93, 4.50 A)
&rst
ixpk= 2940, nxpk= 25, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1768,1769,
&end
#
# 119 VAL HN 118 GLN HG- 4.50 (# 2941:25 Unique 3.93, 4.50 A)
&rst
ixpk= 2941, nxpk= 25, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1768,1769,
&end
#
# 118 GLN HE2- 118 GLN HG+ 4.50 (# 2944:25 Unique 2.21, 3.28 A)
&rst
ixpk= 2944, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1773,1774,
igr2=1768,1769,
&end
#
# 115 VAL HA 118 GLN HG+ 3.50 (# 2945:25 Unique 2.53, 3.53 A)
&rst
ixpk= 2945, nxpk= 25, iat=1716, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1768,1769,
&end
#
# 118 GLN HB- 118 GLN HG+ 2.80 (# 2946:25 Unique 2.31, 2.68 A)
&rst
ixpk= 2946, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1765,1766,
igr2=1768,1769,
&end
#
# 114 THR MG2 118 GLN HG+ 2.80 (# 2947:25 Unique 2.19, 3.64 A)
&rst
ixpk= 2947, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1706,1707,1708,
igr2=1768,1769,
&end
#
# 114 THR MG2 118 GLN HG- 3.50 (# 2948:25 Unique 2.19, 3.64 A)
&rst
ixpk= 2948, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1706,1707,1708,
igr2=1768,1769,
&end
#
# 0 AMB 25-2:2949 0 AMB 25-1:2949 4.50 (# 2949:25 Double Ambig)
&rst
ixpk= 2949, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
igr2=1768,1769,1768,1769,
&end
#
# 57 ILE QG2 50 MET HG- 3.50 (# 2950:25 Unique 3.23, 5.17 A)
&rst
ixpk= 2950, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 850, 851, 852,
igr2= 750, 751,
&end
#
# 57 ILE QD1 50 MET HG- 3.50 (# 2951:25 Unique 2.23, 3.20 A)
&rst
ixpk= 2951, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 857, 858, 859,
igr2= 750, 751,
&end
#
# 122 ARG HG- 119 VAL HA 4.50 (# 2952:25 Unique 2.64, 4.06 A)
&rst
ixpk= 2952, nxpk= 25, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1838,1839,
&end
#
# 123 VAL MGX 119 VAL HA 4.50 (# 2953:25 Unique 3.59, 6.20 A)
&rst
ixpk= 2953, nxpk= 25, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1861,1862,1863,1865,1866,1867,
&end
#
# 101 LEU HG 119 VAL HA 5.50 (# 2955:25 Unique 2.70, 3.84 A)
&rst
ixpk= 2955, nxpk= 25, iat=1506,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2956 119 VAL HA 4.50 (# 2956:25 Single Ambig)
&rst
ixpk= 2956, nxpk= 25, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1765,1766,1820,1821,
&end
#
# 0 AMB 25-2:2957 119 VAL HA 4.50 (# 2957:25 Single Ambig)
&rst
ixpk= 2957, nxpk= 25, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1841,1842,1859,
&end
#
# 0 AMB 25-2:2958 119 VAL HA 3.50 (# 2958:25 Single Ambig)
&rst
ixpk= 2958, nxpk= 25, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1782,1765,1766,
&end
#
# 120 LYS HA 119 VAL HA 5.50 (# 2959:25 Unique 4.85, 4.90 A)
&rst
ixpk= 2959, nxpk= 25, iat=1796,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2960 119 VAL HA 5.50 (# 2960:25 Single Ambig)
&rst
ixpk= 2960, nxpk= 25, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1763,1732,
&end
#
# 122 ARG HE 119 VAL HA 5.50 (# 2961:25 Unique 4.07, 4.89 A)
&rst
ixpk= 2961, nxpk= 25, iat=1844,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:2962 119 VAL HA 5.50 (# 2962:25 Single Ambig)
&rst
ixpk= 2962, nxpk= 25, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1477,1773,1774,
&end
#
# 0 AMB 25-2:2963 119 VAL HA 5.50 (# 2963:25 Single Ambig)
&rst
ixpk= 2963, nxpk= 25, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1816, 337, 341,
&end
#
# 122 ARG HN 119 VAL HA 4.50 (# 2964:25 Unique 3.18, 3.52 A)
&rst
ixpk= 2964, nxpk= 25, iat=1831,1780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LYS HN 119 VAL HA 4.50 (# 2965:25 Unique 3.58, 3.64 A)
&rst
ixpk= 2965, nxpk= 25, iat=1794,1780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 123 VAL HN 119 VAL HA 5.50 (# 2966:25 Unique 3.86, 4.05 A)
&rst
ixpk= 2966, nxpk= 25, iat=1855,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HE 119 VAL HB 4.50 (# 2967:25 Unique 2.89, 5.41 A)
&rst
ixpk= 2967, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 337, 341,
&end
#
# 21 PHE HD 119 VAL HB 4.50 (# 2968:25 Unique 2.70, 5.29 A)
&rst
ixpk= 2968, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 335, 343,
&end
#
# 87 PRO HD- 87 PRO HB+ 4.50 (# 2969:25 Unique 2.83, 3.69 A)
&rst
ixpk= 2969, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1264,1265,
igr2=1270,1271,
&end
#
# 88 PRO HD+ 87 PRO HB+ 3.50 (# 2970:25 Unique 2.27, 3.49 A)
&rst
ixpk= 2970, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1278,1279,
igr2=1270,1271,
&end
#
# 0 AMB 25-2:2971 119 VAL HB 4.50 (# 2971:25 Single Ambig)
&rst
ixpk= 2971, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1861,1862,1863,1865,1866,1867,1804,1805,
&end
#
# 119 VAL MGY 119 VAL HB 2.80 (# 2972:25 Unique 2.35, 2.67 A)
&rst
ixpk= 2972, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 119 VAL MGX 119 VAL HB 2.80 (# 2973:25 Unique 2.35, 2.67 A)
&rst
ixpk= 2973, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 25-2:2974 119 VAL HB 4.50 (# 2974:25 Single Ambig)
&rst
ixpk= 2974, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 25-2:2975 119 VAL HB 5.50 (# 2975:25 Single Ambig)
&rst
ixpk= 2975, nxpk= 25, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1798,1799, 299, 300, 301,
&end
#
# 123 VAL MGX 0 AMB 25-1:2976 2.80 (# 2976:25 Single Ambig)
&rst
ixpk= 2976, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1861,1862,1863,1865,1866,1867,
igr2=1784,1785,1786,1788,1789,1790,1909,1910,1911,1913,
1914,1915,
&end
#
# 0 AMB 25-2:2977 0 AMB 25-1:2977 2.80 (# 2977:25 Double Ambig)
&rst
ixpk= 2977, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1904,1905,1782,1765,1766,
igr2=1909,1910,1911,1913,1914,1915,1784,1785,1786,1788,
1789,1790,
&end
#
# 120 LYS HA 119 VAL MGX 4.50 (# 2978:25 Unique 3.12, 5.50 A)
&rst
ixpk= 2978, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 25-2:2979 119 VAL MGX 4.50 (# 2979:25 Single Ambig)
&rst
ixpk= 2979, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 285, 286,1462,1463,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 18 ALA HA 119 VAL MGX 2.80 (# 2980:25 Unique 2.22, 3.84 A)
&rst
ixpk= 2980, nxpk= 25, iat= 297, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 99 TRP HZ2 126 LEU MDX 4.50 (# 2981:25 Unique 3.22, 5.26 A)
&rst
ixpk= 2981, nxpk= 25, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 21 PHE HN 119 VAL MGX 5.50 (# 2983:25 Unique 4.26, 6.37 A)
&rst
ixpk= 2983, nxpk= 25, iat= 327, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 123 VAL HN 119 VAL MGX 5.50 (# 2984:25 Unique 3.88, 5.65 A)
&rst
ixpk= 2984, nxpk= 25, iat=1855, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 119 VAL HN 119 VAL MGX 4.50 (# 2985:25 Unique 1.93, 3.80 A)
&rst
ixpk= 2985, nxpk= 25, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 123 VAL HN 119 VAL MGY 5.50 (# 2987:25 Unique 3.88, 5.65 A)
&rst
ixpk= 2987, nxpk= 25, iat=1855, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 19 GLU HN 119 VAL MGY 5.50 (# 2988:25 Unique 5.06, 6.68 A)
&rst
ixpk= 2988, nxpk= 25, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 120 LYS HN 119 VAL MGY 4.50 (# 2989:25 Unique 3.24, 4.58 A)
&rst
ixpk= 2989, nxpk= 25, iat=1794, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 18 ALA HN 119 VAL MGY 5.50 (# 2990:25 Unique 2.32, 4.37 A)
&rst
ixpk= 2990, nxpk= 25, iat= 295, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 25-2:2991 119 VAL MGY 5.50 (# 2991:25 Single Ambig)
&rst
ixpk= 2991, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 337, 341,1816,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 21 PHE HD 119 VAL MGY 4.50 (# 2992:25 Unique 2.27, 6.37 A)
&rst
ixpk= 2992, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 335, 343,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 122 ARG HE 119 VAL MGY 5.50 (# 2993:25 Unique 4.19, 7.10 A)
&rst
ixpk= 2993, nxpk= 25, iat=1844, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 18 ALA HA 119 VAL MGY 3.50 (# 2994:25 Unique 2.22, 3.84 A)
&rst
ixpk= 2994, nxpk= 25, iat= 297, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 25-2:2995 119 VAL MGY 5.50 (# 2995:25 Single Ambig)
&rst
ixpk= 2995, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 285, 286,1462,1463,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 21 PHE HB+ 119 VAL MGY 5.50 (# 2996:25 Unique 2.88, 6.06 A)
&rst
ixpk= 2996, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 331, 332,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 120 LYS HA 119 VAL MGY 5.50 (# 2999:25 Unique 3.12, 5.50 A)
&rst
ixpk= 2999, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 25-2:3000 119 VAL MGY 2.80 (# 3000:25 Single Ambig)
&rst
ixpk= 3000, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1782,1765,1766,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 123 VAL HB 119 VAL MGY 5.50 (# 3001:25 Unique 3.39, 5.88 A)
&rst
ixpk= 3001, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 50 MET ME 119 VAL MGY 5.50 (# 3002:25 Unique 5.50, 7.75 A)
&rst
ixpk= 3002, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 754, 755, 756,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 101 LEU HG 119 VAL MGY 3.50 (# 3003:25 Unique 2.22, 4.04 A)
&rst
ixpk= 3003, nxpk= 25, iat=1506, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 18 ALA MB 119 VAL MGY 3.50 (# 3004:25 Unique 2.60, 4.84 A)
&rst
ixpk= 3004, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 299, 300, 301,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 120 LYS HG- 120 LYS HA 3.50 (# 3005:25 Unique 2.45, 2.81 A)
&rst
ixpk= 3005, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1801,1802,
&end
#
# 120 LYS HB+ 120 LYS HA 3.50 (# 3006:25 Unique 2.47, 2.79 A)
&rst
ixpk= 3006, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1798,1799,
&end
#
# 120 LYS HG+ 120 LYS HA 3.50 (# 3007:25 Unique 2.45, 2.81 A)
&rst
ixpk= 3007, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1801,1802,
&end
#
# 120 LYS HB- 120 LYS HA 2.80 (# 3008:25 Unique 2.47, 2.79 A)
&rst
ixpk= 3008, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1798,1799,
&end
#
# 0 AMB 25-2:3009 120 LYS HA 5.50 (# 3009:25 Single Ambig)
&rst
ixpk= 3009, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1820,1821,1734,1735,1737,1738,
&end
#
# 123 VAL HB 120 LYS HA 5.50 (# 3010:25 Unique 2.75, 3.29 A)
&rst
ixpk= 3010, nxpk= 25, iat=1859,1796, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HB- 120 LYS HA 5.50 (# 3011:25 Unique 2.95, 3.62 A)
&rst
ixpk= 3011, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 331, 332,
&end
#
# 21 PHE HD 120 LYS HA 5.50 (# 3013:25 Unique 2.87, 4.01 A)
&rst
ixpk= 3013, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 335, 343,
&end
#
# 0 AMB 25-2:3014 120 LYS HA 4.50 (# 3014:25 Single Ambig)
&rst
ixpk= 3014, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1816, 337, 341,
&end
#
# 123 VAL HN 120 LYS HA 5.50 (# 3015:25 Unique 3.63, 3.73 A)
&rst
ixpk= 3015, nxpk= 25, iat=1855,1796, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 GLU HN 120 LYS HA 5.50 (# 3016:25 Unique 3.84, 3.93 A)
&rst
ixpk= 3016, nxpk= 25, iat=1871,1796, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 LYS HN 120 LYS HB- 3.50 (# 3017:25 Unique 2.33, 2.52 A)
&rst
ixpk= 3017, nxpk= 25, iat=1794, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1798,1799,
&end
#
# 120 LYS HN 120 LYS HB+ 3.50 (# 3018:25 Unique 2.33, 2.52 A)
&rst
ixpk= 3018, nxpk= 25, iat=1794, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1798,1799,
&end
#
# 0 AMB 25-2:3019 120 LYS HB- 3.50 (# 3019:25 Single Ambig)
&rst
ixpk= 3019, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1816, 337, 341,
igr2=1798,1799,
&end
#
# 0 AMB 25-2:3020 0 AMB 25-1:3020 4.50 (# 3020:25 Double Ambig)
&rst
ixpk= 3020, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1816, 337, 341,
igr2=1798,1799,1798,1799,
&end
#
# 21 PHE HD 120 LYS HB+ 5.50 (# 3021:25 Unique 3.45, 5.22 A)
&rst
ixpk= 3021, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 335, 343,
igr2=1798,1799,
&end
#
# 21 PHE HD 120 LYS HB- 5.50 (# 3022:25 Unique 3.45, 5.22 A)
&rst
ixpk= 3022, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 335, 343,
igr2=1798,1799,
&end
#
# 117 GLY HA+ 120 LYS HB+ 5.50 (# 3023:25 Unique 2.68, 4.09 A)
&rst
ixpk= 3023, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1756,1757,
igr2=1798,1799,
&end
#
# 120 LYS HA 120 LYS HB- 3.50 (# 3024:25 Unique 2.47, 2.79 A)
&rst
ixpk= 3024, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1798,1799,
&end
#
# 120 LYS HE- 120 LYS HB- 5.50 (# 3025:25 Unique 4.29, 4.59 A)
&rst
ixpk= 3025, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1807,1808,
igr2=1798,1799,
&end
#
# 0 AMB 25-2:3026 120 LYS HB- 5.50 (# 3026:25 Single Ambig)
&rst
ixpk= 3026, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1807,1808, 331, 332,
igr2=1798,1799,
&end
#
# 120 LYS HE- 120 LYS HB+ 5.50 (# 3028:25 Unique 4.29, 4.59 A)
&rst
ixpk= 3028, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1807,1808,
igr2=1798,1799,
&end
#
# 120 LYS HA 120 LYS HB+ 3.50 (# 3029:25 Unique 2.47, 2.79 A)
&rst
ixpk= 3029, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1798,1799,
&end
#
# 120 LYS HG+ 120 LYS HB- 3.50 (# 3031:25 Unique 2.42, 2.76 A)
&rst
ixpk= 3031, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1801,1802,
igr2=1798,1799,
&end
#
# 120 LYS HG+ 120 LYS HB+ 2.80 (# 3033:25 Unique 2.42, 2.76 A)
&rst
ixpk= 3033, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1801,1802,
igr2=1798,1799,
&end
#
# 120 LYS HG- 120 LYS HB- 3.50 (# 3034:25 Unique 2.42, 2.76 A)
&rst
ixpk= 3034, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1801,1802,
igr2=1798,1799,
&end
#
# 120 LYS HG- 120 LYS HB+ 3.50 (# 3035:25 Unique 2.42, 2.76 A)
&rst
ixpk= 3035, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1801,1802,
igr2=1798,1799,
&end
#
# 0 AMB 25-2:3036 0 AMB 25-1:3036 4.50 (# 3036:25 Double Ambig)
&rst
ixpk= 3036, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1807,1808, 331, 332,
igr2=1801,1802,1801,1802,
&end
#
# 0 AMB 25-2:3037 0 AMB 25-1:3037 4.50 (# 3037:25 Double Ambig)
&rst
ixpk= 3037, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.80, r4= 9.55,
igr1=1878,1879, 942, 943,1218, 972, 973,
igr2=1801,1802, 555, 556, 557, 559, 560, 561,
&end
#
# 120 LYS HB+ 120 LYS HG- 3.50 (# 3039:25 Unique 2.42, 2.76 A)
&rst
ixpk= 3039, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1798,1799,
igr2=1801,1802,
&end
#
# 124 GLU HB+ 120 LYS HG- 5.50 (# 3040:25 Unique 3.92, 5.25 A)
&rst
ixpk= 3040, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1875,1876,
igr2=1801,1802,
&end
#
# 124 GLU HG+ 120 LYS HG- 5.50 (# 3041:25 Unique 2.50, 3.79 A)
&rst
ixpk= 3041, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1878,1879,
igr2=1801,1802,
&end
#
# 120 LYS HA 120 LYS HG- 3.50 (# 3042:25 Unique 2.45, 2.81 A)
&rst
ixpk= 3042, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1801,1802,
&end
#
# 120 LYS HE- 120 LYS HG- 3.50 (# 3043:25 Unique 2.43, 3.02 A)
&rst
ixpk= 3043, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1807,1808,
igr2=1801,1802,
&end
#
# 0 AMB 25-2:3044 120 LYS HG- 4.50 (# 3044:25 Single Ambig)
&rst
ixpk= 3044, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1807,1808, 331, 332,
igr2=1801,1802,
&end
#
# 120 LYS HN 120 LYS HG- 5.50 (# 3045:25 Unique 4.30, 4.46 A)
&rst
ixpk= 3045, nxpk= 25, iat=1794, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1801,1802,
&end
#
# 0 AMB 25-2:3046 120 LYS HG- 5.50 (# 3046:25 Single Ambig)
&rst
ixpk= 3046, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 337, 341,1816,
igr2=1801,1802,
&end
#
# 21 PHE HD 120 LYS HG- 5.50 (# 3047:25 Unique 3.38, 5.02 A)
&rst
ixpk= 3047, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 335, 343,
igr2=1801,1802,
&end
#
# 21 PHE HD 120 LYS HD- 5.50 (# 3048:25 Unique 4.23, 5.88 A)
&rst
ixpk= 3048, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 335, 343,
igr2=1804,1805,
&end
#
# 21 PHE HD 120 LYS HD+ 5.50 (# 3049:25 Unique 4.23, 5.88 A)
&rst
ixpk= 3049, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 335, 343,
igr2=1804,1805,
&end
#
# 21 PHE HE 120 LYS HD- 5.50 (# 3050:25 Unique 3.14, 4.75 A)
&rst
ixpk= 3050, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 337, 341,
igr2=1804,1805,
&end
#
# 21 PHE HE 120 LYS HD+ 5.50 (# 3051:25 Unique 3.14, 4.75 A)
&rst
ixpk= 3051, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 337, 341,
igr2=1804,1805,
&end
#
# 117 GLY HA- 120 LYS HD- 5.50 (# 3052:25 Unique 3.34, 4.92 A)
&rst
ixpk= 3052, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1756,1757,
igr2=1804,1805,
&end
#
# 117 GLY HA- 120 LYS HD+ 5.50 (# 3053:25 Unique 3.34, 4.92 A)
&rst
ixpk= 3053, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1756,1757,
igr2=1804,1805,
&end
#
# 120 LYS HG+ 120 LYS HD- 3.50 (# 3054:25 Unique 2.42, 2.77 A)
&rst
ixpk= 3054, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1801,1802,
igr2=1804,1805,
&end
#
# 120 LYS HG+ 120 LYS HD+ 3.50 (# 3055:25 Unique 2.42, 2.77 A)
&rst
ixpk= 3055, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1801,1802,
igr2=1804,1805,
&end
#
# 120 LYS HB+ 120 LYS HD- 4.50 (# 3056:25 Unique 2.43, 2.78 A)
&rst
ixpk= 3056, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1798,1799,
igr2=1804,1805,
&end
#
# 120 LYS HB+ 120 LYS HD+ 3.50 (# 3057:25 Unique 2.43, 2.78 A)
&rst
ixpk= 3057, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1798,1799,
igr2=1804,1805,
&end
#
# 120 LYS HG- 120 LYS HD- 3.50 (# 3058:25 Unique 2.42, 2.77 A)
&rst
ixpk= 3058, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1801,1802,
igr2=1804,1805,
&end
#
# 120 LYS HG- 120 LYS HD+ 3.50 (# 3059:25 Unique 2.42, 2.77 A)
&rst
ixpk= 3059, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1801,1802,
igr2=1804,1805,
&end
#
# 120 LYS HG- 121 GLU HA 5.50 (# 3060:25 Unique 3.44, 4.43 A)
&rst
ixpk= 3060, nxpk= 25, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1801,1802,
&end
#
# 120 LYS HG+ 121 GLU HA 5.50 (# 3061:25 Unique 3.44, 4.43 A)
&rst
ixpk= 3061, nxpk= 25, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1801,1802,
&end
#
# 0 AMB 25-2:3062 121 GLU HA 4.50 (# 3062:25 Single Ambig)
&rst
ixpk= 3062, nxpk= 25, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1798,1799,1804,1805,
&end
#
# 0 AMB 25-2:3063 121 GLU HA 2.80 (# 3063:25 Single Ambig)
&rst
ixpk= 3063, nxpk= 25, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1820,1821,1820,1821,
&end
#
# 124 GLU HB+ 121 GLU HA 2.80 (# 3064:25 Unique 2.36, 3.32 A)
&rst
ixpk= 3064, nxpk= 25, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1875,1876,
&end
#
# 120 LYS HA 121 GLU HA 5.50 (# 3065:25 Unique 4.77, 4.80 A)
&rst
ixpk= 3065, nxpk= 25, iat=1796,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3066 121 GLU HA 5.50 (# 3066:25 Single Ambig)
&rst
ixpk= 3066, nxpk= 25, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1890,1891,1807,1808,
&end
#
# 0 AMB 25-2:3067 121 GLU HA 4.50 (# 3067:25 Single Ambig)
&rst
ixpk= 3067, nxpk= 25, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1886,1794,
&end
#
# 123 VAL HN 121 GLU HA 5.50 (# 3068:25 Unique 4.54, 4.63 A)
&rst
ixpk= 3068, nxpk= 25, iat=1855,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 GLU HA 121 GLU HB+ 2.80 (# 3069:25 Unique 2.41, 2.74 A)
&rst
ixpk= 3069, nxpk= 25, iat=1818, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1820,1821,
&end
#
# 0 AMB 25-2:3071 0 AMB 25-1:3071 5.50 (# 3071:25 Double Ambig)
&rst
ixpk= 3071, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1798,1799,1804,1805,
igr2=1820,1821,1820,1821,
&end
#
# 123 VAL HN 122 ARG HA 5.50 (# 3073:25 Unique 3.57, 3.58 A)
&rst
ixpk= 3073, nxpk= 25, iat=1855,1833, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ASN HN 122 ARG HA 4.50 (# 3074:25 Unique 3.22, 3.43 A)
&rst
ixpk= 3074, nxpk= 25, iat=1886,1833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 125 ASN HB- 122 ARG HA 3.50 (# 3076:25 Unique 2.62, 3.24 A)
&rst
ixpk= 3076, nxpk= 25, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1890,1891,
&end
#
# 122 ARG HD+ 122 ARG HA 3.50 (# 3077:25 Unique 2.79, 4.05 A)
&rst
ixpk= 3077, nxpk= 25, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1841,1842,
&end
#
# 0 AMB 25-2:3078 122 ARG HA 4.50 (# 3078:25 Single Ambig)
&rst
ixpk= 3078, nxpk= 25, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1820,1821,1875,1876,
&end
#
# 122 ARG HG- 122 ARG HA 3.50 (# 3079:25 Unique 2.23, 2.94 A)
&rst
ixpk= 3079, nxpk= 25, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1838,1839,
&end
#
# 123 VAL HN 122 ARG HB+ 5.50 (# 3080:25 Unique 2.36, 3.12 A)
&rst
ixpk= 3080, nxpk= 25, iat=1855, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1835,1836,
&end
#
# 119 VAL HA 122 ARG HB+ 4.50 (# 3081:25 Unique 2.66, 3.85 A)
&rst
ixpk= 3081, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1835,1836,
&end
#
# 122 ARG HD+ 122 ARG HB+ 3.50 (# 3082:25 Unique 2.24, 2.83 A)
&rst
ixpk= 3082, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1841,1842,
igr2=1835,1836,
&end
#
# 122 ARG HA 122 ARG HG+ 4.50 (# 3083:25 Unique 2.23, 2.94 A)
&rst
ixpk= 3083, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1838,1839,
&end
#
# 122 ARG HN 122 ARG HG+ 3.50 (# 3084:25 Unique 2.31, 2.79 A)
&rst
ixpk= 3084, nxpk= 25, iat=1831, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1838,1839,
&end
#
# 123 VAL HN 122 ARG HG+ 5.50 (# 3085:25 Unique 4.14, 4.58 A)
&rst
ixpk= 3085, nxpk= 25, iat=1855, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1838,1839,
&end
#
# 122 ARG HN 122 ARG HD+ 5.50 (# 3086:25 Unique 4.42, 4.74 A)
&rst
ixpk= 3086, nxpk= 25, iat=1831, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1841,1842,
&end
#
# 99 TRP HE3 122 ARG HD+ 4.50 (# 3087:25 Unique 2.58, 3.63 A)
&rst
ixpk= 3087, nxpk= 25, iat=1477, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1841,1842,
&end
#
# 99 TRP HZ3 122 ARG HD+ 5.50 (# 3088:25 Unique 3.78, 5.05 A)
&rst
ixpk= 3088, nxpk= 25, iat=1475, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1841,1842,
&end
#
# 99 TRP HD1 122 ARG HD+ 5.50 (# 3089:25 Unique 3.03, 4.02 A)
&rst
ixpk= 3089, nxpk= 25, iat=1466, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1841,1842,
&end
#
# 122 ARG HA 122 ARG HD+ 3.50 (# 3091:25 Unique 2.79, 4.05 A)
&rst
ixpk= 3091, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1841,1842,
&end
#
# 119 VAL HA 122 ARG HD+ 5.50 (# 3092:25 Unique 3.58, 4.91 A)
&rst
ixpk= 3092, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1841,1842,
&end
#
# 122 ARG HB+ 122 ARG HD+ 3.50 (# 3093:25 Unique 2.24, 2.83 A)
&rst
ixpk= 3093, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1835,1836,
igr2=1841,1842,
&end
#
# 122 ARG HG- 122 ARG HD+ 3.50 (# 3094:25 Unique 2.26, 2.75 A)
&rst
ixpk= 3094, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1838,1839,
igr2=1841,1842,
&end
#
# 99 TRP HZ2 123 VAL HA 5.50 (# 3095:25 Unique 3.44, 4.72 A)
&rst
ixpk= 3095, nxpk= 25, iat=1471,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 126 LEU HB+ 123 VAL HA 4.50 (# 3096:25 Unique 2.36, 3.01 A)
&rst
ixpk= 3096, nxpk= 25, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1904,1905,
&end
#
# 123 VAL HB 123 VAL HA 2.80 (# 3097:25 Unique 2.35, 2.87 A)
&rst
ixpk= 3097, nxpk= 25, iat=1859,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 126 LEU HB- 123 VAL HA 2.80 (# 3098:25 Unique 2.36, 3.01 A)
&rst
ixpk= 3098, nxpk= 25, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1904,1905,
&end
#
# 123 VAL MGX 123 VAL HA 3.50 (# 3100:25 Unique 2.37, 3.21 A)
&rst
ixpk= 3100, nxpk= 25, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 25-2:3101 123 VAL HA 4.50 (# 3101:25 Single Ambig)
&rst
ixpk= 3101, nxpk= 25, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1932,1933,1934, 471, 472, 473,
&end
#
# 126 LEU HA 123 VAL HA 5.50 (# 3102:25 Unique 5.02, 5.31 A)
&rst
ixpk= 3102, nxpk= 25, iat=1902,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 126 LEU HN 123 VAL HA 3.50 (# 3103:25 Unique 3.08, 3.33 A)
&rst
ixpk= 3103, nxpk= 25, iat=1900,1857, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 ILE HN 123 VAL HA 4.50 (# 3104:25 Unique 3.93, 4.07 A)
&rst
ixpk= 3104, nxpk= 25, iat=1919,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 124 GLU HN 123 VAL HA 4.50 (# 3105:25 Unique 3.60, 3.63 A)
&rst
ixpk= 3105, nxpk= 25, iat=1871,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 ARG HG- 123 VAL MGX 5.50 (# 3107:25 Unique 4.98, 7.84 A)
&rst
ixpk= 3107, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1838,1839,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 120 LYS HG- 123 VAL MGX 5.50 (# 3108:25 Unique 4.02, 6.73 A)
&rst
ixpk= 3108, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1801,1802,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 25-2:3109 0 AMB 25-1:3109 3.50 (# 3109:25 Double Ambig)
&rst
ixpk= 3109, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1932,1933,1934, 471, 472, 473,
igr2=1861,1862,1863,1865,1866,1867, 443, 444,
&end
#
# 18 ALA MB 123 VAL MGX 4.50 (# 3110:25 Unique 2.48, 5.50 A)
&rst
ixpk= 3110, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 299, 300, 301,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 123 VAL HB 123 VAL MGX 2.80 (# 3111:25 Unique 2.40, 2.66 A)
&rst
ixpk= 3111, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 119 VAL HB 123 VAL MGX 4.50 (# 3112:25 Unique 4.68, 6.63 A)
&rst
ixpk= 3112, nxpk= 25, iat=1782, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 119 VAL HA 123 VAL MGX 4.50 (# 3113:25 Unique 3.59, 6.20 A)
&rst
ixpk= 3113, nxpk= 25, iat=1780, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 21 PHE HA 123 VAL MGX 4.50 (# 3115:25 Unique 4.43, 5.98 A)
&rst
ixpk= 3115, nxpk= 25, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 125 ASN HN 123 VAL MGX 5.50 (# 3116:25 Unique 5.15, 6.38 A)
&rst
ixpk= 3116, nxpk= 25, iat=1886, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 123 VAL HN 123 VAL MGX 2.80 (# 3117:25 Unique 2.00, 3.81 A)
&rst
ixpk= 3117, nxpk= 25, iat=1855, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 22 ALA HN 123 VAL MGX 4.50 (# 3118:25 Unique 2.62, 4.27 A)
&rst
ixpk= 3118, nxpk= 25, iat= 347, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 22 ALA HN 123 VAL MGY 3.50 (# 3119:25 Unique 2.62, 4.27 A)
&rst
ixpk= 3119, nxpk= 25, iat= 347, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 25-2:3120 123 VAL MGY 4.50 (# 3120:25 Single Ambig)
&rst
ixpk= 3120, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 327,1919,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 6 PHE HZ 123 VAL MGY 4.50 (# 3121:25 Unique 2.27, 4.20 A)
&rst
ixpk= 3121, nxpk= 25, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 24 THR HN 123 VAL MGY 5.50 (# 3122:25 Unique 5.57, 7.34 A)
&rst
ixpk= 3122, nxpk= 25, iat= 379, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 21 PHE HD 123 VAL MGY 4.50 (# 3123:25 Unique 3.06, 5.93 A)
&rst
ixpk= 3123, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 335, 343,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 21 PHE HA 123 VAL MGY 4.50 (# 3124:25 Unique 4.43, 5.98 A)
&rst
ixpk= 3124, nxpk= 25, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 24 THR HB 123 VAL MGY 5.50 (# 3125:25 Unique 5.60, 7.37 A)
&rst
ixpk= 3125, nxpk= 25, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 22 ALA HA 123 VAL MGY 2.80 (# 3126:25 Unique 2.39, 4.17 A)
&rst
ixpk= 3126, nxpk= 25, iat= 349, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 123 VAL HA 123 VAL MGY 2.80 (# 3127:25 Unique 2.37, 3.21 A)
&rst
ixpk= 3127, nxpk= 25, iat=1857, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 120 LYS HA 123 VAL MGY 4.50 (# 3130:25 Unique 2.19, 4.78 A)
&rst
ixpk= 3130, nxpk= 25, iat=1796, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 126 LEU HB+ 123 VAL MGY 5.50 (# 3131:25 Unique 3.23, 5.62 A)
&rst
ixpk= 3131, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1904,1905,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 123 VAL HB 123 VAL MGY 2.80 (# 3132:25 Unique 2.40, 2.66 A)
&rst
ixpk= 3132, nxpk= 25, iat=1859, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 25-2:3133 123 VAL MGY 3.50 (# 3133:25 Single Ambig)
&rst
ixpk= 3133, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1929,1930,1923,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 25-2:3134 123 VAL MGY 4.50 (# 3134:25 Single Ambig)
&rst
ixpk= 3134, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1904,1905, 400,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 25-2:3135 123 VAL MGY 2.80 (# 3135:25 Single Ambig)
&rst
ixpk= 3135, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 351, 352, 353, 397, 398,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 127 ILE HN 124 GLU HA 3.50 (# 3137:25 Unique 3.24, 3.45 A)
&rst
ixpk= 3137, nxpk= 25, iat=1919,1873, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 128 ALA HN 124 GLU HA 4.50 (# 3138:25 Unique 3.65, 3.74 A)
&rst
ixpk= 3138, nxpk= 25, iat=1938,1873, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 125 ASN HA 124 GLU HA 5.50 (# 3139:25 Unique 4.62, 4.64 A)
&rst
ixpk= 3139, nxpk= 25, iat=1888,1873, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 GLU HG+ 124 GLU HA 2.80 (# 3141:25 Unique 2.32, 2.73 A)
&rst
ixpk= 3141, nxpk= 25, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1878,1879,
&end
#
# 0 AMB 25-2:3142 124 GLU HA 2.80 (# 3142:25 Single Ambig)
&rst
ixpk= 3142, nxpk= 25, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1878,1879,1875,1876,
&end
#
# 0 AMB 25-2:3143 124 GLU HA 2.80 (# 3143:25 Single Ambig)
&rst
ixpk= 3143, nxpk= 25, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1923,1875,1876,
&end
#
# 25 LEU HB- 124 GLU HA 4.50 (# 3144:25 Unique 3.64, 4.35 A)
&rst
ixpk= 3144, nxpk= 25, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 397, 398,
&end
#
# 25 LEU HB+ 124 GLU HA 4.50 (# 3145:25 Unique 3.64, 4.35 A)
&rst
ixpk= 3145, nxpk= 25, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 397, 398,
&end
#
# 0 AMB 25-2:3146 124 GLU HA 2.80 (# 3146:25 Single Ambig)
&rst
ixpk= 3146, nxpk= 25, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
1866,1867,
&end
#
# 127 ILE QD1 124 GLU HA 2.80 (# 3147:25 Unique 2.86, 3.95 A)
&rst
ixpk= 3147, nxpk= 25, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1932,1933,1934,
&end
#
# 95 ILE HG1- 77 ILE HA 5.50 (# 3149:25 Unique 5.42, 6.35 A)
&rst
ixpk= 3149, nxpk= 25, iat= -1,1132, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1402,1403,
&end
#
# 0 AMB 25-2:3150 125 ASN HB- 5.50 (# 3150:25 Single Ambig)
&rst
ixpk= 3150, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1942,1943,1944,1907,
igr2=1890,1891,
&end
#
# 0 AMB 25-2:3151 0 AMB 25-1:3151 5.50 (# 3151:25 Double Ambig)
&rst
ixpk= 3151, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1942,1943,1944,1907,
igr2=1890,1891,1890,1891,
&end
#
# 122 ARG HG+ 125 ASN HB+ 5.50 (# 3155:25 Unique 4.49, 5.92 A)
&rst
ixpk= 3155, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1838,1839,
igr2=1890,1891,
&end
#
# 129 LYS HD+ 125 ASN HB- 5.50 (# 3156:25 Unique 4.09, 6.48 A)
&rst
ixpk= 3156, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1958,1959,
igr2=1890,1891,
&end
#
# 0 AMB 25-2:3157 125 ASN HB- 5.50 (# 3157:25 Single Ambig)
&rst
ixpk= 3157, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1875,1876,1820,1821,
igr2=1890,1891,
&end
#
# 121 GLU HG+ 125 ASN HB- 5.50 (# 3158:25 Unique 3.83, 5.04 A)
&rst
ixpk= 3158, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1823,1824,
igr2=1890,1891,
&end
#
# 0 AMB 25-2:3159 125 ASN HB- 5.50 (# 3159:25 Single Ambig)
&rst
ixpk= 3159, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1875,1876,1841,1842,
igr2=1890,1891,
&end
#
# 0 AMB 25-2:3160 0 AMB 25-1:3160 4.50 (# 3160:25 Double Ambig)
&rst
ixpk= 3160, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1875,1876,1841,1842,
igr2=1890,1891,1890,1891,
&end
#
# 0 AMB 25-2:3161 0 AMB 25-1:3161 4.50 (# 3161:25 Double Ambig)
&rst
ixpk= 3161, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1875,1876,1820,1821,
igr2=1890,1891,1890,1891,
&end
#
# 122 ARG HA 125 ASN HB- 3.50 (# 3162:25 Unique 2.62, 3.24 A)
&rst
ixpk= 3162, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1890,1891,
&end
#
# 122 ARG HA 125 ASN HB+ 3.50 (# 3163:25 Unique 2.62, 3.24 A)
&rst
ixpk= 3163, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1890,1891,
&end
#
# 124 GLU HA 125 ASN HB+ 5.50 (# 3164:25 Unique 5.62, 5.85 A)
&rst
ixpk= 3164, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1890,1891,
&end
#
# 125 ASN HD2- 125 ASN HB- 4.50 (# 3165:25 Unique 2.29, 3.41 A)
&rst
ixpk= 3165, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1895,1896,
igr2=1890,1891,
&end
#
# 125 ASN HD2- 125 ASN HB+ 5.50 (# 3166:25 Unique 2.29, 3.41 A)
&rst
ixpk= 3166, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1895,1896,
igr2=1890,1891,
&end
#
# 124 GLU HN 125 ASN HB- 5.50 (# 3167:25 Unique 4.62, 5.13 A)
&rst
ixpk= 3167, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1890,1891,
&end
#
# 124 GLU HN 125 ASN HB+ 5.50 (# 3168:25 Unique 4.62, 5.13 A)
&rst
ixpk= 3168, nxpk= 25, iat=1871, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1890,1891,
&end
#
# 127 ILE HN 126 LEU HA 5.50 (# 3169:25 Unique 3.61, 3.63 A)
&rst
ixpk= 3169, nxpk= 25, iat=1919,1902, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HZ2 126 LEU HA 4.50 (# 3170:25 Unique 3.85, 4.35 A)
&rst
ixpk= 3170, nxpk= 25, iat=1471,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 LYS HE+ 126 LEU HA 4.50 (# 3171:25 Unique 2.06, 4.37 A)
&rst
ixpk= 3171, nxpk= 25, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1961,1962,
&end
#
# 125 ASN HB+ 126 LEU HA 5.50 (# 3172:25 Unique 4.32, 5.13 A)
&rst
ixpk= 3172, nxpk= 25, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1890,1891,
&end
#
# 126 LEU HB+ 126 LEU HA 3.50 (# 3173:25 Unique 2.36, 2.72 A)
&rst
ixpk= 3173, nxpk= 25, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1904,1905,
&end
#
# 0 AMB 25-2:3174 126 LEU HA 2.80 (# 3174:25 Single Ambig)
&rst
ixpk= 3174, nxpk= 25, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1904,1905,1952,1953,1952,1953,
&end
#
# 129 LYS HD+ 126 LEU HA 4.50 (# 3175:25 Unique 2.26, 3.30 A)
&rst
ixpk= 3175, nxpk= 25, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1958,1959,
&end
#
# 0 AMB 25-2:3176 126 LEU HA 3.50 (# 3176:25 Single Ambig)
&rst
ixpk= 3176, nxpk= 25, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1955,1956,1907,
&end
#
# 0 AMB 25-2:3177 0 AMB 25-1:3177 2.80 (# 3177:25 Double Ambig)
&rst
ixpk= 3177, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,
igr2=1904,1905,1904,1905,
&end
#
# 126 LEU HG 126 LEU HB- 3.50 (# 3178:25 Unique 2.19, 2.61 A)
&rst
ixpk= 3178, nxpk= 25, iat=1907, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1904,1905,
&end
#
# 0 AMB 25-2:3179 0 AMB 25-1:3179 5.50 (# 3179:25 Double Ambig)
&rst
ixpk= 3179, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1976,1977,1978,1925,1926,1927,
igr2=1904,1905,1904,1905,
&end
#
# 0 AMB 25-2:3180 0 AMB 25-1:3180 5.50 (# 3180:25 Double Ambig)
&rst
ixpk= 3180, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=1140,1141,1104,1105,1106,1108,1109,1110,
igr2=1904,1905,1904,1905,
&end
#
# 0 AMB 25-2:3181 126 LEU HB- 5.50 (# 3181:25 Single Ambig)
&rst
ixpk= 3181, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1983,1984,1985, 71, 72, 73, 75, 76, 77,
igr2=1904,1905,
&end
#
# 123 VAL HA 126 LEU HB- 5.50 (# 3183:25 Unique 2.36, 3.01 A)
&rst
ixpk= 3183, nxpk= 25, iat=1857, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1904,1905,
&end
#
# 126 LEU HA 126 LEU HB- 3.50 (# 3184:25 Unique 2.36, 2.72 A)
&rst
ixpk= 3184, nxpk= 25, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1904,1905,
&end
#
# 99 TRP HH2 126 LEU HB- 5.50 (# 3185:25 Unique 2.21, 3.68 A)
&rst
ixpk= 3185, nxpk= 25, iat=1473, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1904,1905,
&end
#
# 99 TRP HZ2 126 LEU HB+ 4.50 (# 3186:25 Unique 2.13, 3.52 A)
&rst
ixpk= 3186, nxpk= 25, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1904,1905,
&end
#
# 99 TRP HZ2 126 LEU HB- 4.50 (# 3187:25 Unique 2.13, 3.52 A)
&rst
ixpk= 3187, nxpk= 25, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1904,1905,
&end
#
# 126 LEU HN 126 LEU HB- 3.50 (# 3188:25 Unique 2.15, 2.41 A)
&rst
ixpk= 3188, nxpk= 25, iat=1900, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1904,1905,
&end
#
# 127 ILE HN 126 LEU HB- 4.50 (# 3189:25 Unique 2.21, 3.25 A)
&rst
ixpk= 3189, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1904,1905,
&end
#
# 126 LEU HA 126 LEU HG 3.50 (# 3190:25 Unique 2.89, 3.43 A)
&rst
ixpk= 3190, nxpk= 25, iat=1902,1907, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 LEU HB+ 126 LEU HG 3.50 (# 3191:25 Unique 2.19, 2.61 A)
&rst
ixpk= 3191, nxpk= 25, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1904,1905,
&end
#
# 0 AMB 25-2:3192 126 LEU HG 2.80 (# 3192:25 Single Ambig)
&rst
ixpk= 3192, nxpk= 25, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,
&end
#
# 0 AMB 25-2:3193 126 LEU MDX 2.80 (# 3193:25 Single Ambig)
&rst
ixpk= 3193, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1904,1905,1438,1439,1952,1953,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 0 AMB 25-2:3194 126 LEU MDX 2.80 (# 3194:25 Single Ambig)
&rst
ixpk= 3194, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1907,1955,1956,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 77 ILE QD1 126 LEU MDX 3.50 (# 3195:25 Unique 2.16, 3.99 A)
&rst
ixpk= 3195, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1143,1144,1145,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 4 VAL MGX 126 LEU MDY 3.50 (# 3196:25 Unique 2.67, 5.86 A)
&rst
ixpk= 3196, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 71, 72, 73, 75, 76, 77,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 77 ILE QD1 126 LEU MDY 3.50 (# 3197:25 Unique 2.16, 3.99 A)
&rst
ixpk= 3197, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1143,1144,1145,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 77 ILE HG1+ 126 LEU MDY 4.50 (# 3198:25 Unique 2.32, 4.38 A)
&rst
ixpk= 3198, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1140,1141,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 0 AMB 25-2:3199 126 LEU MDY 2.80 (# 3199:25 Single Ambig)
&rst
ixpk= 3199, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1104,1105,1106,1108,1109,1110,1140,1141,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 0 AMB 25-2:3200 126 LEU MDY 3.50 (# 3200:25 Single Ambig)
&rst
ixpk= 3200, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1907,1955,1956,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 0 AMB 25-2:3201 126 LEU MDY 3.50 (# 3201:25 Single Ambig)
&rst
ixpk= 3201, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1904,1905,1438,1439,1952,1953,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 126 LEU HB+ 126 LEU MDY 3.50 (# 3202:25 Unique 2.28, 3.39 A)
&rst
ixpk= 3202, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1904,1905,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 127 ILE HA 126 LEU MDY 5.50 (# 3204:25 Unique 2.84, 5.13 A)
&rst
ixpk= 3204, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 126 LEU HA 126 LEU MDY 4.50 (# 3205:25 Unique 2.27, 3.84 A)
&rst
ixpk= 3205, nxpk= 25, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 99 TRP HZ2 126 LEU MDY 4.50 (# 3207:25 Unique 3.22, 5.26 A)
&rst
ixpk= 3207, nxpk= 25, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 126 LEU HN 126 LEU MDY 5.50 (# 3208:25 Unique 4.48, 5.11 A)
&rst
ixpk= 3208, nxpk= 25, iat=1900, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 127 ILE HN 126 LEU MDY 5.50 (# 3209:25 Unique 3.35, 4.86 A)
&rst
ixpk= 3209, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 127 ILE HN 127 ILE HG1- 4.50 (# 3210:25 Unique 2.13, 2.87 A)
&rst
ixpk= 3210, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1929,1930,
&end
#
# 26 GLY HA- 127 ILE HG1- 5.50 (# 3211:25 Unique 3.57, 4.68 A)
&rst
ixpk= 3211, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 414, 415,
igr2=1929,1930,
&end
#
# 127 ILE HA 127 ILE HG1- 3.50 (# 3212:25 Unique 2.35, 2.63 A)
&rst
ixpk= 3212, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1929,1930,
&end
#
# 127 ILE HA 127 ILE HG1+ 3.50 (# 3213:25 Unique 2.35, 2.63 A)
&rst
ixpk= 3213, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1929,1930,
&end
#
# 0 AMB 25-2:3216 127 ILE HG1- 2.80 (# 3216:25 Single Ambig)
&rst
ixpk= 3216, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 471, 472, 473,1932,1933,1934,
igr2=1929,1930,
&end
#
# 127 ILE HN 127 ILE QD1 4.50 (# 3217:25 Unique 3.53, 4.21 A)
&rst
ixpk= 3217, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1932,1933,1934,
&end
#
# 25 LEU HN 127 ILE QD1 5.50 (# 3218:25 Unique 4.22, 4.53 A)
&rst
ixpk= 3218, nxpk= 25, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1932,1933,1934,
&end
#
# 22 ALA HA 127 ILE QD1 3.50 (# 3219:25 Unique 2.06, 3.15 A)
&rst
ixpk= 3219, nxpk= 25, iat= 349, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1932,1933,1934,
&end
#
# 124 GLU HA 127 ILE QD1 2.80 (# 3220:25 Unique 2.86, 3.95 A)
&rst
ixpk= 3220, nxpk= 25, iat=1873, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1932,1933,1934,
&end
#
# 127 ILE HA 127 ILE QD1 4.50 (# 3221:25 Unique 4.36, 4.57 A)
&rst
ixpk= 3221, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1932,1933,1934,
&end
#
# 21 PHE HB- 127 ILE QD1 5.50 (# 3223:25 Unique 4.89, 6.06 A)
&rst
ixpk= 3223, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 331, 332,
igr2=1932,1933,1934,
&end
#
# 0 AMB 25-2:3224 127 ILE QD1 4.50 (# 3224:25 Single Ambig)
&rst
ixpk= 3224, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1904,1905, 400,
igr2=1932,1933,1934,
&end
#
# 0 AMB 25-2:3225 127 ILE QD1 2.80 (# 3225:25 Single Ambig)
&rst
ixpk= 3225, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1929,1930,1923,
igr2=1932,1933,1934,
&end
#
# 0 AMB 25-2:3226 127 ILE QD1 2.80 (# 3226:25 Single Ambig)
&rst
ixpk= 3226, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 397, 398, 351, 352, 353,
igr2=1932,1933,1934,
&end
#
# 123 VAL MGX 127 ILE QD1 3.50 (# 3227:25 Unique 2.36, 5.05 A)
&rst
ixpk= 3227, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1861,1862,1863,1865,1866,1867,
igr2=1932,1933,1934,
&end
#
# 127 ILE HN 128 ALA HA 5.50 (# 3230:25 Unique 5.26, 5.30 A)
&rst
ixpk= 3230, nxpk= 25, iat=1919,1940, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 ILE HA 128 ALA HA 5.50 (# 3232:25 Unique 4.79, 4.82 A)
&rst
ixpk= 3232, nxpk= 25, iat=1921,1940, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3233 128 ALA HA 4.50 (# 3233:25 Single Ambig)
&rst
ixpk= 3233, nxpk= 25, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1923,1875,1876,
&end
#
# 128 ALA MB 128 ALA HA 2.80 (# 3234:25 Unique 2.45, 2.66 A)
&rst
ixpk= 3234, nxpk= 25, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1942,1943,1944,
&end
#
# 127 ILE HN 128 ALA MB 4.50 (# 3235:25 Unique 4.84, 5.40 A)
&rst
ixpk= 3235, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1942,1943,1944,
&end
#
# 126 LEU HN 128 ALA MB 5.50 (# 3236:25 Unique 5.15, 6.09 A)
&rst
ixpk= 3236, nxpk= 25, iat=1900, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1942,1943,1944,
&end
#
# 127 ILE HA 128 ALA MB 5.50 (# 3238:25 Unique 5.86, 6.16 A)
&rst
ixpk= 3238, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1942,1943,1944,
&end
#
# 129 LYS HE+ 128 ALA MB 5.50 (# 3239:25 Unique 4.96, 7.22 A)
&rst
ixpk= 3239, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1961,1962,
igr2=1942,1943,1944,
&end
#
# 125 ASN HB- 128 ALA MB 5.50 (# 3240:25 Unique 4.55, 6.09 A)
&rst
ixpk= 3240, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1890,1891,
igr2=1942,1943,1944,
&end
#
# 0 AMB 25-2:3241 128 ALA MB 3.50 (# 3241:25 Single Ambig)
&rst
ixpk= 3241, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1875,1876,1923,
igr2=1942,1943,1944,
&end
#
# 127 ILE QG2 128 ALA MB 4.50 (# 3242:25 Unique 4.36, 6.14 A)
&rst
ixpk= 3242, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1925,1926,1927,
igr2=1942,1943,1944,
&end
#
# 129 LYS HG+ 129 LYS HA 3.50 (# 3243:25 Unique 2.47, 3.28 A)
&rst
ixpk= 3243, nxpk= 25, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1955,1956,
&end
#
# 129 LYS HD+ 129 LYS HA 5.50 (# 3244:25 Unique 4.31, 4.85 A)
&rst
ixpk= 3244, nxpk= 25, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1958,1959,
&end
#
# 0 AMB 25-2:3245 129 LYS HA 2.80 (# 3245:25 Single Ambig)
&rst
ixpk= 3245, nxpk= 25, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1952,1953,1952,1953,
&end
#
# 130 ILE HN 129 LYS HA 4.50 (# 3246:25 Unique 3.57, 3.61 A)
&rst
ixpk= 3246, nxpk= 25, iat=1970,1950, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3248 0 AMB 25-1:3248 3.50 (# 3248:25 Double Ambig)
&rst
ixpk= 3248, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1961,1962,1961,1962,
igr2=1952,1953,1952,1953,
&end
#
# 129 LYS HG+ 129 LYS HB+ 2.80 (# 3249:25 Unique 2.27, 2.76 A)
&rst
ixpk= 3249, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1955,1956,
igr2=1952,1953,
&end
#
# 0 AMB 25-2:3250 0 AMB 25-1:3250 3.50 (# 3250:25 Double Ambig)
&rst
ixpk= 3250, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,
igr2=1955,1956,1955,1956,
&end
#
# 0 AMB 25-2:3251 0 AMB 25-1:3251 3.50 (# 3251:25 Double Ambig)
&rst
ixpk= 3251, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1976,1977,1978,1405,1406,1407,
igr2=1955,1956,1955,1956,
&end
#
# 0 AMB 25-2:3252 0 AMB 25-1:3252 2.80 (# 3252:25 Double Ambig)
&rst
ixpk= 3252, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1952,1953,1952,1953,
igr2=1955,1956,1955,1956,
&end
#
# 129 LYS HN 129 LYS HG+ 3.50 (# 3253:25 Unique 2.18, 3.29 A)
&rst
ixpk= 3253, nxpk= 25, iat=1948, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1955,1956,
&end
#
# 0 AMB 25-2:3254 0 AMB 25-1:3254 4.50 (# 3254:25 Double Ambig)
&rst
ixpk= 3254, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1948, 412,
igr2=1958,1959, 446, 447,
&end
#
# 126 LEU HA 129 LYS HD+ 2.80 (# 3255:25 Unique 2.26, 3.30 A)
&rst
ixpk= 3255, nxpk= 25, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1958,1959,
&end
#
# 0 AMB 25-2:3256 0 AMB 25-1:3256 4.50 (# 3256:25 Double Ambig)
&rst
ixpk= 3256, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1993,1994, 322, 323,
igr2= 446, 447, 367, 368,
&end
#
# 55 ILE QD1 23 LYS HE+ 5.50 (# 3258:25 Unique 4.94, 6.91 A)
&rst
ixpk= 3258, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 826, 827, 828,
igr2= 370, 371,
&end
#
# 120 LYS HG- 120 LYS HE+ 3.50 (# 3259:25 Unique 2.43, 3.02 A)
&rst
ixpk= 3259, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1801,1802,
igr2=1807,1808,
&end
#
# 120 LYS HG- 120 LYS HE- 3.50 (# 3260:25 Unique 2.43, 3.02 A)
&rst
ixpk= 3260, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1801,1802,
igr2=1807,1808,
&end
#
# 2 LYS HE+ 130 ILE HA 5.50 (# 3261:25 Unique 3.75, 4.89 A)
&rst
ixpk= 3261, nxpk= 25, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 34, 35,
&end
#
# 130 ILE HB 130 ILE HA 2.80 (# 3262:25 Unique 2.32, 2.37 A)
&rst
ixpk= 3262, nxpk= 25, iat=1974,1972, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 2 LYS HD- 130 ILE HA 4.50 (# 3263:25 Unique 4.16, 4.63 A)
&rst
ixpk= 3263, nxpk= 25, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 31, 32,
&end
#
# 130 ILE HG1+ 130 ILE HA 4.50 (# 3264:25 Unique 3.71, 3.74 A)
&rst
ixpk= 3264, nxpk= 25, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1980,1981,
&end
#
# 130 ILE HG1+ 130 ILE HB 2.80 (# 3266:25 Unique 2.36, 2.71 A)
&rst
ixpk= 3266, nxpk= 25, iat= -1,1974, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1980,1981,
&end
#
# 0 AMB 25-2:3267 130 ILE HB 2.80 (# 3267:25 Single Ambig)
&rst
ixpk= 3267, nxpk= 25, iat= -1,1974, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 31, 32,1980,1981,
&end
#
# 2 LYS HE+ 130 ILE HB 5.50 (# 3269:25 Unique 2.61, 3.71 A)
&rst
ixpk= 3269, nxpk= 25, iat= -1,1974, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 34, 35,
&end
#
# 127 ILE HA 130 ILE HB 5.50 (# 3270:25 Unique 4.97, 5.07 A)
&rst
ixpk= 3270, nxpk= 25, iat=1921,1974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 ILE HN 130 ILE HB 3.50 (# 3271:25 Unique 3.59, 3.61 A)
&rst
ixpk= 3271, nxpk= 25, iat=1970,1974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 130 ILE HA 130 ILE HG1- 5.50 (# 3272:25 Unique 3.71, 3.74 A)
&rst
ixpk= 3272, nxpk= 25, iat=1972, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1980,1981,
&end
#
# 130 ILE HA 130 ILE HG1+ 4.50 (# 3273:25 Unique 3.71, 3.74 A)
&rst
ixpk= 3273, nxpk= 25, iat=1972, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1980,1981,
&end
#
# 127 ILE HA 130 ILE HG1- 3.50 (# 3274:25 Unique 2.10, 2.65 A)
&rst
ixpk= 3274, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1980,1981,
&end
#
# 127 ILE HA 130 ILE HG1+ 4.50 (# 3275:25 Unique 2.10, 2.65 A)
&rst
ixpk= 3275, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1980,1981,
&end
#
# 130 ILE HB 130 ILE HG1+ 2.80 (# 3277:25 Unique 2.36, 2.71 A)
&rst
ixpk= 3277, nxpk= 25, iat=1974, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1980,1981,
&end
#
# 130 ILE HB 130 ILE HG1- 3.50 (# 3278:25 Unique 2.36, 2.71 A)
&rst
ixpk= 3278, nxpk= 25, iat=1974, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1980,1981,
&end
#
# 0 AMB 25-2:3279 130 ILE HG1- 4.50 (# 3279:25 Single Ambig)
&rst
ixpk= 3279, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,
igr2=1980,1981,
&end
#
# 0 AMB 25-2:3280 130 ILE HG1- 2.80 (# 3280:25 Single Ambig)
&rst
ixpk= 3280, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1976,1977,1978, 464, 465, 466,
igr2=1980,1981,
&end
#
# 130 ILE QD1 130 ILE HG1- 2.80 (# 3281:25 Unique 2.38, 2.64 A)
&rst
ixpk= 3281, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1983,1984,1985,
igr2=1980,1981,
&end
#
# 130 ILE QD1 130 ILE HG1+ 2.80 (# 3282:25 Unique 2.38, 2.64 A)
&rst
ixpk= 3282, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1983,1984,1985,
igr2=1980,1981,
&end
#
# 0 AMB 25-2:3283 0 AMB 25-1:3283 4.50 (# 3283:25 Double Ambig)
&rst
ixpk= 3283, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1= 464, 465, 466,1976,1977,1978, 493, 494, 495, 497,
498, 499,
igr2= 468, 469,1980,1981,1980,1981,
&end
#
# 4 VAL MGX 130 ILE QD1 4.50 (# 3284:25 Unique 3.07, 4.98 A)
&rst
ixpk= 3284, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 71, 72, 73, 75, 76, 77,
igr2=1983,1984,1985,
&end
#
# 0 AMB 25-2:3285 130 ILE QD1 2.80 (# 3285:25 Single Ambig)
&rst
ixpk= 3285, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,
igr2=1983,1984,1985,
&end
#
# 130 ILE HG1+ 130 ILE QD1 2.80 (# 3286:25 Unique 2.38, 2.64 A)
&rst
ixpk= 3286, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1980,1981,
igr2=1983,1984,1985,
&end
#
# 0 AMB 25-2:3287 130 ILE QD1 2.80 (# 3287:25 Single Ambig)
&rst
ixpk= 3287, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 31, 32,1980,1981,1907,
igr2=1983,1984,1985,
&end
#
# 2 LYS HB+ 130 ILE QD1 2.80 (# 3288:25 Unique 3.01, 4.43 A)
&rst
ixpk= 3288, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 25, 26,
igr2=1983,1984,1985,
&end
#
# 130 ILE HB 130 ILE QD1 2.80 (# 3289:25 Unique 2.61, 3.26 A)
&rst
ixpk= 3289, nxpk= 25, iat=1974, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1983,1984,1985,
&end
#
# 126 LEU HB+ 130 ILE QD1 5.50 (# 3291:25 Unique 5.09, 6.28 A)
&rst
ixpk= 3291, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1904,1905,
igr2=1983,1984,1985,
&end
#
# 74 ASP HB- 130 ILE QD1 5.50 (# 3292:25 Unique 4.15, 6.73 A)
&rst
ixpk= 3292, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1090,1091,
igr2=1983,1984,1985,
&end
#
# 2 LYS HE+ 130 ILE QD1 4.50 (# 3293:25 Unique 4.03, 5.23 A)
&rst
ixpk= 3293, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 34, 35,
igr2=1983,1984,1985,
&end
#
# 127 ILE HA 130 ILE QD1 3.50 (# 3295:25 Unique 2.67, 3.56 A)
&rst
ixpk= 3295, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1983,1984,1985,
&end
#
# 0 AMB 25-2:3296 130 ILE QD1 5.50 (# 3296:25 Single Ambig)
&rst
ixpk= 3296, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1991, 23,
igr2=1983,1984,1985,
&end
#
# 0 AMB 25-2:3297 130 ILE QD1 4.50 (# 3297:25 Single Ambig)
&rst
ixpk= 3297, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1972,1100,
igr2=1983,1984,1985,
&end
#
# 4 VAL HA 130 ILE QD1 5.50 (# 3298:25 Unique 5.55, 6.16 A)
&rst
ixpk= 3298, nxpk= 25, iat= 67, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1983,1984,1985,
&end
#
# 130 ILE HN 130 ILE QD1 4.50 (# 3299:25 Unique 3.91, 4.40 A)
&rst
ixpk= 3299, nxpk= 25, iat=1970, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1983,1984,1985,
&end
#
# 0 AMB 25-2:3300 130 ILE QD1 5.50 (# 3300:25 Single Ambig)
&rst
ixpk= 3300, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 110,1948,
igr2=1983,1984,1985,
&end
#
# 0 AMB 25-2:3301 130 ILE QD1 5.50 (# 3301:25 Single Ambig)
&rst
ixpk= 3301, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 21,1114,
igr2=1983,1984,1985,
&end
#
# 131 SER HB+ 131 SER HA 2.80 (# 3306:25 Unique 2.42, 2.74 A)
&rst
ixpk= 3306, nxpk= 25, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1993,1994,
&end
#
# 131 SER HB- 131 SER HA 2.80 (# 3307:25 Unique 2.42, 2.74 A)
&rst
ixpk= 3307, nxpk= 25, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1993,1994,
&end
#
# 2 LYS HE+ 131 SER HA 5.50 (# 3308:25 Unique 2.01, 2.59 A)
&rst
ixpk= 3308, nxpk= 25, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 34, 35,
&end
#
# 130 ILE HB 131 SER HA 4.50 (# 3309:25 Unique 4.47, 4.53 A)
&rst
ixpk= 3309, nxpk= 25, iat=1974,1991, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 LYS HB+ 131 SER HA 4.50 (# 3310:25 Unique 4.67, 5.38 A)
&rst
ixpk= 3310, nxpk= 25, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 440, 441,
&end
#
# 0 AMB 25-2:3311 131 SER HA 5.50 (# 3311:25 Single Ambig)
&rst
ixpk= 3311, nxpk= 25, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 446, 447, 440, 441,
&end
#
# 0 AMB 25-2:3312 131 SER HA 5.50 (# 3312:25 Single Ambig)
&rst
ixpk= 3312, nxpk= 25, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1980,1981, 31, 32,
&end
#
# 130 ILE HG1+ 131 SER HA 5.50 (# 3313:25 Unique 3.42, 4.25 A)
&rst
ixpk= 3313, nxpk= 25, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1980,1981,
&end
#
# 0 AMB 25-2:3314 131 SER HA 4.50 (# 3314:25 Single Ambig)
&rst
ixpk= 3314, nxpk= 25, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 464, 465, 466,1925,1926,1927,
&end
#
# 130 ILE QD1 131 SER HA 5.50 (# 3315:25 Unique 5.61, 6.11 A)
&rst
ixpk= 3315, nxpk= 25, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1983,1984,1985,
&end
#
# 130 ILE QD1 131 SER HB+ 5.50 (# 3316:25 Unique 4.62, 6.13 A)
&rst
ixpk= 3316, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1983,1984,1985,
igr2=1993,1994,
&end
#
# 0 AMB 25-2:3317 0 AMB 25-1:3317 3.50 (# 3317:25 Double Ambig)
&rst
ixpk= 3317, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 446, 447, 440, 441,
igr2=1993,1994,1993,1994,
&end
#
# 0 AMB 25-2:3318 131 SER HB- 3.50 (# 3318:25 Single Ambig)
&rst
ixpk= 3318, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 446, 447, 440, 441,
igr2=1993,1994,
&end
#
# 130 ILE HG1+ 131 SER HB- 4.50 (# 3319:25 Unique 3.00, 4.32 A)
&rst
ixpk= 3319, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1980,1981,
igr2=1993,1994,
&end
#
# 2 LYS HD- 131 SER HB- 5.50 (# 3320:25 Unique 4.96, 5.87 A)
&rst
ixpk= 3320, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 31, 32,
igr2=1993,1994,
&end
#
# 29 LYS HB+ 131 SER HB+ 3.50 (# 3321:25 Unique 2.73, 4.24 A)
&rst
ixpk= 3321, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 440, 441,
igr2=1993,1994,
&end
#
# 29 LYS HB+ 131 SER HB- 3.50 (# 3322:25 Unique 2.73, 4.24 A)
&rst
ixpk= 3322, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 440, 441,
igr2=1993,1994,
&end
#
# 29 LYS HE+ 131 SER HB+ 5.50 (# 3323:25 Unique 2.79, 4.87 A)
&rst
ixpk= 3323, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 449, 450,
igr2=1993,1994,
&end
#
# 131 SER HA 131 SER HB+ 2.80 (# 3324:25 Unique 2.42, 2.74 A)
&rst
ixpk= 3324, nxpk= 25, iat=1991, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1993,1994,
&end
#
# 131 SER HA 131 SER HB- 2.80 (# 3325:25 Unique 2.42, 2.74 A)
&rst
ixpk= 3325, nxpk= 25, iat=1991, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1993,1994,
&end
#
# 130 ILE HA 131 SER HB+ 5.50 (# 3326:25 Unique 5.72, 6.16 A)
&rst
ixpk= 3326, nxpk= 25, iat=1972, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1993,1994,
&end
#
# 6 PHE HD 123 VAL HA 5.50 (# 3329:25 Unique 5.61, 6.77 A)
&rst
ixpk= 3329, nxpk= 25, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 0 AMB 25-2:3330 0 AMB 25-1:3330 4.50 (# 3330:25 Double Ambig)
&rst
ixpk= 3330, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 419,1473,
igr2= 443, 444,1861,1862,1863,1865,1866,1867,
&end
#
# 113 ARG HE 49 MET ME 5.50 (# 3331:25 Unique 4.03, 5.57 A)
&rst
ixpk= 3331, nxpk= 25, iat=1689, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 737, 738, 739,
&end
#
# 0 AMB 25-2:3333 49 MET ME 5.50 (# 3333:25 Single Ambig)
&rst
ixpk= 3333, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 743, 673,
igr2= 737, 738, 739,
&end
#
# 48 ALA HN 49 MET ME 5.50 (# 3334:25 Unique 6.12, 6.92 A)
&rst
ixpk= 3334, nxpk= 25, iat= 716, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 737, 738, 739,
&end
#
# 112 PHE HD 49 MET ME 5.50 (# 3335:25 Unique 4.54, 6.47 A)
&rst
ixpk= 3335, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1664,1672,
igr2= 737, 738, 739,
&end
#
# 48 ALA MB 49 MET ME 2.80 (# 3337:25 Unique 2.33, 3.80 A)
&rst
ixpk= 3337, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 720, 721, 722,
igr2= 737, 738, 739,
&end
#
# 49 MET HG+ 49 MET ME 2.80 (# 3338:25 Unique 2.15, 3.30 A)
&rst
ixpk= 3338, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 733, 734,
igr2= 737, 738, 739,
&end
#
# 52 GLU HG+ 49 MET ME 4.50 (# 3339:25 Unique 4.60, 6.07 A)
&rst
ixpk= 3339, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 782, 783,
igr2= 737, 738, 739,
&end
#
# 0 AMB 25-2:3340 49 MET ME 4.50 (# 3340:25 Single Ambig)
&rst
ixpk= 3340, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1660,1661,1686,1687,
igr2= 737, 738, 739,
&end
#
# 112 PHE HB+ 49 MET ME 4.50 (# 3341:25 Unique 4.51, 5.79 A)
&rst
ixpk= 3341, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1660,1661,
igr2= 737, 738, 739,
&end
#
# 46 ALA HA 49 MET ME 5.50 (# 3342:25 Unique 5.30, 5.99 A)
&rst
ixpk= 3342, nxpk= 25, iat= 689, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 737, 738, 739,
&end
#
# 45 THR HA 49 MET ME 5.50 (# 3343:25 Unique 3.61, 4.63 A)
&rst
ixpk= 3343, nxpk= 25, iat= 675, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 737, 738, 739,
&end
#
# 0 AMB 25-2:3345 49 MET ME 5.50 (# 3345:25 Single Ambig)
&rst
ixpk= 3345, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1676,1606,
igr2= 737, 738, 739,
&end
#
# 6 PHE HN 7 VAL MGY 5.50 (# 3346:25 Unique 2.57, 5.46 A)
&rst
ixpk= 3346, nxpk= 25, iat= 98, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:3347 7 VAL MGY 5.50 (# 3347:25 Single Ambig)
&rst
ixpk= 3347, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1130, 528,1160,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:3348 7 VAL MGX 5.50 (# 3348:25 Single Ambig)
&rst
ixpk= 3348, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1130, 528,1160,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL HN 7 VAL MGX 5.50 (# 3349:25 Unique 2.32, 3.95 A)
&rst
ixpk= 3349, nxpk= 25, iat= 118, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL HN 7 VAL MGY 5.50 (# 3350:25 Unique 2.32, 3.95 A)
&rst
ixpk= 3350, nxpk= 25, iat= 118, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 90 TRP HE3 7 VAL MGX 5.50 (# 3351:25 Unique 4.09, 6.22 A)
&rst
ixpk= 3351, nxpk= 25, iat=1325, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 8 CYS HN 7 VAL MGX 5.50 (# 3352:25 Unique 2.37, 4.51 A)
&rst
ixpk= 3352, nxpk= 25, iat= 134, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 8 CYS HN 7 VAL MGY 5.50 (# 3353:25 Unique 2.37, 4.51 A)
&rst
ixpk= 3353, nxpk= 25, iat= 134, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 78 SER HA 7 VAL MGY 5.50 (# 3354:25 Unique 2.23, 4.93 A)
&rst
ixpk= 3354, nxpk= 25, iat=1151, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 78 SER HA 7 VAL MGX 5.50 (# 3355:25 Unique 2.23, 4.93 A)
&rst
ixpk= 3355, nxpk= 25, iat=1151, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 35 SER HB- 7 VAL MGY 5.50 (# 3360:25 Unique 2.19, 6.52 A)
&rst
ixpk= 3360, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 532, 533,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 35 SER HB- 7 VAL MGX 5.50 (# 3361:25 Unique 2.19, 6.52 A)
&rst
ixpk= 3361, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 532, 533,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 90 TRP HB- 7 VAL MGX 5.50 (# 3362:25 Unique 3.75, 6.33 A)
&rst
ixpk= 3362, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1310,1311,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:3364 7 VAL MGY 2.80 (# 3364:25 Single Ambig)
&rst
ixpk= 3364, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 122,1248,1249,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 25-2:3365 7 VAL MGX 2.80 (# 3365:25 Single Ambig)
&rst
ixpk= 3365, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 122,1248,1249,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 76 VAL MGX 7 VAL MGX 3.50 (# 3366:25 Unique 2.42, 6.57 A)
&rst
ixpk= 3366, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1120,1121,1122,1124,1125,1126,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 25 LEU HN 24 THR MG2 2.80 (# 3367:25 Unique 2.78, 3.74 A)
&rst
ixpk= 3367, nxpk= 25, iat= 393, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 385, 386, 387,
&end
#
# 0 AMB 25-2:3368 30 ILE HB 5.50 (# 3368:25 Single Ambig)
&rst
ixpk= 3368, nxpk= 25, iat= -1, 462, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 479, 67,
&end
#
# 112 PHE HA 50 MET ME 3.50 (# 3369:25 Unique 3.05, 4.40 A)
&rst
ixpk= 3369, nxpk= 25, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 754, 755, 756,
&end
#
# 116 ARG HD+ 50 MET ME 5.50 (# 3370:25 Unique 3.85, 5.59 A)
&rst
ixpk= 3370, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1740,1741,
igr2= 754, 755, 756,
&end
#
# 103 ASP HA 50 MET ME 5.50 (# 3371:25 Unique 5.85, 6.66 A)
&rst
ixpk= 3371, nxpk= 25, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 754, 755, 756,
&end
#
# 18 ALA HN 50 MET ME 5.50 (# 3375:25 Unique 6.09, 7.05 A)
&rst
ixpk= 3375, nxpk= 25, iat= 295, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 754, 755, 756,
&end
#
# 50 MET HN 50 MET ME 5.50 (# 3376:25 Unique 4.31, 5.34 A)
&rst
ixpk= 3376, nxpk= 25, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 754, 755, 756,
&end
#
# 17 MET HN 50 MET ME 4.50 (# 3377:25 Unique 4.04, 5.47 A)
&rst
ixpk= 3377, nxpk= 25, iat= 278, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 754, 755, 756,
&end
#
# 0 AMB 25-2:3378 50 MET ME 5.50 (# 3378:25 Single Ambig)
&rst
ixpk= 3378, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 726,1714,
igr2= 754, 755, 756,
&end
#
# 0 AMB 25-2:3379 50 MET ME 4.50 (# 3379:25 Single Ambig)
&rst
ixpk= 3379, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1730, 261,
igr2= 754, 755, 756,
&end
#
# 17 MET HG+ 50 MET ME 3.50 (# 3380:25 Unique 1.96, 2.93 A)
&rst
ixpk= 3380, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 285, 286,
igr2= 754, 755, 756,
&end
#
# 116 ARG HD- 50 MET ME 5.50 (# 3382:25 Unique 3.85, 5.59 A)
&rst
ixpk= 3382, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1740,1741,
igr2= 754, 755, 756,
&end
#
# 17 MET HG- 50 MET ME 2.80 (# 3383:25 Unique 1.96, 2.93 A)
&rst
ixpk= 3383, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 285, 286,
igr2= 754, 755, 756,
&end
#
# 104 PRO HG+ 50 MET ME 3.50 (# 3385:25 Unique 2.49, 4.01 A)
&rst
ixpk= 3385, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1549,1550,
igr2= 754, 755, 756,
&end
#
# 16 GLN HG- 50 MET ME 3.50 (# 3386:25 Unique 2.23, 4.17 A)
&rst
ixpk= 3386, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 268, 269,
igr2= 754, 755, 756,
&end
#
# 57 ILE QD1 50 MET ME 4.50 (# 3388:25 Unique 3.27, 5.02 A)
&rst
ixpk= 3388, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 857, 858, 859,
igr2= 754, 755, 756,
&end
#
# 104 PRO HB+ 50 MET ME 5.50 (# 3389:25 Unique 4.64, 5.85 A)
&rst
ixpk= 3389, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1552,1553,
igr2= 754, 755, 756,
&end
#
# 55 ILE QG2 24 THR HB 5.50 (# 3390:25 Unique 4.97, 6.43 A)
&rst
ixpk= 3390, nxpk= 25, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 819, 820, 821,
&end
#
# 0 AMB 25-2:3391 0 AMB 25-1:3391 3.50 (# 3391:25 Double Ambig)
&rst
ixpk= 3391, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1925,1926,1927, 493, 494, 495, 497, 498, 499,
igr2= 414, 415, 414, 415,
&end
#
# 119 VAL MGY 50 MET ME 5.50 (# 3401:25 Unique 5.50, 7.75 A)
&rst
ixpk= 3401, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1784,1785,1786,1788,1789,1790,
igr2= 754, 755, 756,
&end
#
# 21 PHE HB+ 17 MET ME 5.50 (# 3402:25 Unique 3.68, 5.55 A)
&rst
ixpk= 3402, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 331, 332,
igr2= 289, 290, 291,
&end
#
# 21 PHE HB- 17 MET ME 4.50 (# 3403:25 Unique 3.68, 5.55 A)
&rst
ixpk= 3403, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 331, 332,
igr2= 289, 290, 291,
&end
#
# 0 AMB 25-2:3404 17 MET ME 4.50 (# 3404:25 Single Ambig)
&rst
ixpk= 3404, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 285, 286, 282, 283,
igr2= 289, 290, 291,
&end
#
# 0 AMB 25-2:3405 17 MET ME 4.50 (# 3405:25 Single Ambig)
&rst
ixpk= 3405, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 747, 748, 282, 283,
igr2= 289, 290, 291,
&end
#
# 0 AMB 25-2:3406 17 MET ME 2.80 (# 3406:25 Single Ambig)
&rst
ixpk= 3406, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 747, 748,1737,1738,
igr2= 289, 290, 291,
&end
#
# 0 AMB 25-2:3407 17 MET ME 5.50 (# 3407:25 Single Ambig)
&rst
ixpk= 3407, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
igr1= 268, 269, 691, 692, 693, 265, 266,
igr2= 289, 290, 291,
&end
#
# 55 ILE QG2 17 MET ME 2.80 (# 3409:25 Unique 2.02, 3.79 A)
&rst
ixpk= 3409, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 819, 820, 821,
igr2= 289, 290, 291,
&end
#
# 55 ILE QD1 17 MET ME 2.80 (# 3410:25 Unique 2.11, 3.82 A)
&rst
ixpk= 3410, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 826, 827, 828,
igr2= 289, 290, 291,
&end
#
# 47 ILE HA 17 MET ME 5.50 (# 3411:25 Unique 6.04, 7.08 A)
&rst
ixpk= 3411, nxpk= 25, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 289, 290, 291,
&end
#
# 20 GLY HA+ 17 MET ME 3.50 (# 3412:25 Unique 2.63, 4.59 A)
&rst
ixpk= 3412, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 322, 323,
igr2= 289, 290, 291,
&end
#
# 17 MET HA 17 MET ME 3.50 (# 3413:25 Unique 2.13, 3.06 A)
&rst
ixpk= 3413, nxpk= 25, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 289, 290, 291,
&end
#
# 0 AMB 25-2:3414 17 MET ME 4.50 (# 3414:25 Single Ambig)
&rst
ixpk= 3414, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1732, 815,
igr2= 289, 290, 291,
&end
#
# 21 PHE HA 17 MET ME 4.50 (# 3415:25 Unique 3.71, 4.89 A)
&rst
ixpk= 3415, nxpk= 25, iat= 329, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 289, 290, 291,
&end
#
# 122 ARG HB+ 122 ARG HG- 3.50 (# 3416:25 Unique 2.30, 2.76 A)
&rst
ixpk= 3416, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1835,1836,
igr2=1838,1839,
&end
#
# 122 ARG HD+ 122 ARG HG- 5.50 (# 3418:25 Unique 2.26, 2.75 A)
&rst
ixpk= 3418, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1841,1842,
igr2=1838,1839,
&end
#
# 122 ARG HD+ 122 ARG HG- 5.50 (# 3419:25 Unique 2.26, 2.75 A)
&rst
ixpk= 3419, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1841,1842,
igr2=1838,1839,
&end
#
# 122 ARG HA 122 ARG HG- 4.50 (# 3420:25 Unique 2.23, 2.94 A)
&rst
ixpk= 3420, nxpk= 25, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1838,1839,
&end
#
# 122 ARG HN 122 ARG HG- 5.50 (# 3421:25 Unique 2.31, 2.79 A)
&rst
ixpk= 3421, nxpk= 25, iat=1831, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1838,1839,
&end
#
# 75 VAL MGX 77 ILE QD1 4.50 (# 3422:25 Unique 2.27, 5.30 A)
&rst
ixpk= 3422, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1104,1105,1106,1108,1109,1110,
igr2=1143,1144,1145,
&end
#
# 31 ALA HN 1 MET HB- 5.50 (# 3423:25 Unique 2.89, 4.95 A)
&rst
ixpk= 3423, nxpk= 25, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 8, 9,
&end
#
# 73 TYR HD 68 PHE HB- 5.50 (# 3426:25 Unique 4.10, 6.62 A)
&rst
ixpk= 3426, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1073,1082,
igr2=1001,1002,
&end
#
# 71 ASP HB- 69 ASN HB+ 5.50 (# 3429:25 Unique 3.51, 4.73 A)
&rst
ixpk= 3429, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1045,1046,
igr2=1021,1022,
&end
#
# 0 AMB 25-2:3430 25 LEU MDY 5.50 (# 3430:25 Single Ambig)
&rst
ixpk= 3430, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 412,1938,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 30 ILE HN 29 LYS HG+ 5.50 (# 3431:25 Unique 2.72, 3.85 A)
&rst
ixpk= 3431, nxpk= 25, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 443, 444,
&end
#
# 0 AMB 25-2:3434 0 AMB 25-1:3434 5.50 (# 3434:25 Double Ambig)
&rst
ixpk= 3434, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1009,1005,1013,
igr2= 532, 533, 532, 533,
&end
#
# 0 AMB 25-2:3435 35 SER HB- 5.50 (# 3435:25 Single Ambig)
&rst
ixpk= 3435, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 507, 521, 522,
igr2= 532, 533,
&end
#
# 85 ASN HB+ 37 LEU MDY 4.50 (# 3437:25 Unique 2.38, 5.57 A)
&rst
ixpk= 3437, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1234,1235,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 2 LYS HN 2 LYS HG- 3.50 (# 3438:25 Unique 1.82, 2.51 A)
&rst
ixpk= 3438, nxpk= 25, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 28, 29,
&end
#
# 50 MET HG+ 46 ALA MB 4.50 (# 3439:25 Unique 2.56, 4.56 A)
&rst
ixpk= 3439, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 750, 751,
igr2= 691, 692, 693,
&end
#
# 58 SER HB+ 47 ILE QG2 3.50 (# 3441:25 Unique 3.05, 4.55 A)
&rst
ixpk= 3441, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 867, 868,
igr2= 703, 704, 705,
&end
#
# 50 MET HG- 47 ILE QG2 5.50 (# 3442:25 Unique 5.25, 7.09 A)
&rst
ixpk= 3442, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 750, 751,
igr2= 703, 704, 705,
&end
#
# 25 LEU HB+ 127 ILE QG2 3.50 (# 3443:25 Unique 3.02, 4.73 A)
&rst
ixpk= 3443, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 397, 398,
igr2=1925,1926,1927,
&end
#
# 49 MET HG+ 48 ALA MB 3.50 (# 3444:25 Unique 3.23, 5.27 A)
&rst
ixpk= 3444, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 733, 734,
igr2= 720, 721, 722,
&end
#
# 50 MET HB- 55 ILE QG2 3.50 (# 3447:25 Unique 2.35, 3.60 A)
&rst
ixpk= 3447, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 747, 748,
igr2= 819, 820, 821,
&end
#
# 50 MET HB+ 55 ILE QG2 4.50 (# 3448:25 Unique 2.35, 3.60 A)
&rst
ixpk= 3448, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 747, 748,
igr2= 819, 820, 821,
&end
#
# 42 VAL MGY 57 ILE HB 4.50 (# 3450:25 Unique 2.13, 3.59 A)
&rst
ixpk= 3450, nxpk= 25, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 632, 633, 634, 636, 637, 638,
&end
#
# 0 AMB 25-2:3451 57 ILE QG2 3.50 (# 3451:25 Single Ambig)
&rst
ixpk= 3451, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 747, 748, 630,
igr2= 850, 851, 852,
&end
#
# 34 SER HA 5 MET HB- 5.50 (# 3452:25 Unique 2.19, 3.64 A)
&rst
ixpk= 3452, nxpk= 25, iat= 519, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 85, 86,
&end
#
# 93 GLN HN 91 VAL MGY 5.50 (# 3453:25 Unique 5.62, 6.85 A)
&rst
ixpk= 3453, nxpk= 25, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 93 GLN HG- 93 GLN HB+ 3.50 (# 3455:25 Unique 2.34, 2.61 A)
&rst
ixpk= 3455, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1367,1368,
igr2=1364,1365,
&end
#
# 11 ASN HN 11 ASN HB+ 4.50 (# 3456:25 Unique 2.36, 2.74 A)
&rst
ixpk= 3456, nxpk= 25, iat= 190, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 194, 195,
&end
#
# 21 PHE HE 17 MET HA 5.50 (# 3457:25 Unique 4.73, 6.69 A)
&rst
ixpk= 3457, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 337, 341,
&end
#
# 25 LEU MDY 120 LYS HE- 2.80 (# 3458:25 Unique 2.48, 4.74 A)
&rst
ixpk= 3458, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 402, 403, 404, 406, 407, 408,
igr2=1807,1808,
&end
#
# 120 LYS HD- 120 LYS HE- 2.80 (# 3459:25 Unique 2.34, 2.70 A)
&rst
ixpk= 3459, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1804,1805,
igr2=1807,1808,
&end
#
# 96 PHE HN 96 PHE HB- 3.50 (# 3460:25 Unique 2.40, 3.14 A)
&rst
ixpk= 3460, nxpk= 25, iat=1411, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1415,1416,
&end
#
# 96 PHE HA 96 PHE HB- 4.50 (# 3461:25 Unique 2.16, 2.65 A)
&rst
ixpk= 3461, nxpk= 25, iat=1413, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1415,1416,
&end
#
# 0 AMB 25-2:3463 111 VAL MGX 2.80 (# 3463:25 Single Ambig)
&rst
ixpk= 3463, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1585,1586,1582,1583,1525,1526,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 116 ARG HB- 116 ARG HG+ 3.50 (# 3464:25 Unique 2.32, 2.77 A)
&rst
ixpk= 3464, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1734,1735,
igr2=1737,1738,
&end
#
# 119 VAL MGX 120 LYS HA 4.50 (# 3466:25 Unique 3.12, 5.50 A)
&rst
ixpk= 3466, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 21 PHE HB+ 120 LYS HA 4.50 (# 3467:25 Unique 2.95, 3.62 A)
&rst
ixpk= 3467, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 331, 332,
&end
#
# 99 TRP HA 122 ARG HD+ 5.50 (# 3469:25 Unique 3.15, 4.71 A)
&rst
ixpk= 3469, nxpk= 25, iat=1460, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1841,1842,
&end
#
# 14 ARG HD- 14 ARG HG+ 3.50 (# 3470:25 Unique 2.28, 2.69 A)
&rst
ixpk= 3470, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 236, 237,
igr2= 233, 234,
&end
#
# 14 ARG HD+ 14 ARG HG+ 4.50 (# 3471:25 Unique 2.28, 2.69 A)
&rst
ixpk= 3471, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 236, 237,
igr2= 233, 234,
&end
#
# 103 ASP HB+ 14 ARG HG+ 4.50 (# 3472:25 Unique 2.15, 3.79 A)
&rst
ixpk= 3472, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1537,1538,
igr2= 233, 234,
&end
#
# 0 AMB 25-2:3473 0 AMB 25-1:3473 2.80 (# 3473:25 Double Ambig)
&rst
ixpk= 3473, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1405,1406,1407,1104,1105,1106,1108,1109,1110,1398,
1399,1400,
igr2=1402,1403,1402,1403,1402,1403,
&end
#
# 0 AMB 25-2:3474 0 AMB 25-1:3474 2.80 (# 3474:25 Double Ambig)
&rst
ixpk= 3474, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 230, 231,1438,1439,
igr2= 233, 234,1402,1403,
&end
#
# 14 ARG HB- 14 ARG HG+ 4.50 (# 3475:25 Unique 2.25, 2.71 A)
&rst
ixpk= 3475, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 230, 231,
igr2= 233, 234,
&end
#
# 95 ILE HA 95 ILE HG1+ 3.50 (# 3476:25 Unique 2.43, 2.95 A)
&rst
ixpk= 3476, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1402,1403,
&end
#
# 0 AMB 25-2:3478 0 AMB 25-1:3478 4.50 (# 3478:25 Double Ambig)
&rst
ixpk= 3478, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 250,1392,
igr2= 233, 234,1402,1403,
&end
#
# 96 PHE HN 95 ILE HG1+ 4.50 (# 3479:25 Unique 2.26, 2.81 A)
&rst
ixpk= 3479, nxpk= 25, iat=1411, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1402,1403,
&end
#
# 0 AMB 25-2:3482 17 MET ME 3.50 (# 3482:25 Single Ambig)
&rst
ixpk= 3482, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 750, 751,1737,1738,
igr2= 289, 290, 291,
&end
#
# 64 PRO HD+ 63 ASP HB+ 2.80 (# 3483:25 Unique 2.27, 3.95 A)
&rst
ixpk= 3483, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 936, 937,
igr2= 927, 928,
&end
#
# 64 PRO HD- 63 ASP HB+ 4.50 (# 3484:25 Unique 2.27, 3.95 A)
&rst
ixpk= 3484, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 936, 937,
igr2= 927, 928,
&end
#
# 64 PRO HG- 63 ASP HB+ 5.50 (# 3486:25 Unique 3.63, 5.26 A)
&rst
ixpk= 3486, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 939, 940,
igr2= 927, 928,
&end
#
# 75 VAL HA 95 ILE HG1+ 5.50 (# 3488:25 Unique 4.29, 5.41 A)
&rst
ixpk= 3488, nxpk= 25, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1402,1403,
&end
#
# 31 ALA MB 1 MET ME 2.80 (# 3489:25 Unique 2.31, 4.75 A)
&rst
ixpk= 3489, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 481, 482, 483,
igr2= 15, 16, 17,
&end
#
# 28 GLY HA- 1 MET ME 3.50 (# 3490:25 Unique 2.82, 4.93 A)
&rst
ixpk= 3490, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 431, 432,
igr2= 15, 16, 17,
&end
#
# 0 AMB 25-2:3491 1 MET ME 4.50 (# 3491:25 Single Ambig)
&rst
ixpk= 3491, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 421, 6,
igr2= 15, 16, 17,
&end
#
# 29 LYS HA 1 MET ME 5.50 (# 3492:25 Unique 3.37, 5.00 A)
&rst
ixpk= 3492, nxpk= 25, iat= 438, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 31 ALA HA 1 MET ME 5.50 (# 3493:25 Unique 2.70, 4.16 A)
&rst
ixpk= 3493, nxpk= 25, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 30 ILE HA 1 MET ME 5.50 (# 3494:25 Unique 2.90, 4.06 A)
&rst
ixpk= 3494, nxpk= 25, iat= 460, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 30 ILE HN 1 MET ME 5.50 (# 3495:25 Unique 3.13, 4.01 A)
&rst
ixpk= 3495, nxpk= 25, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 29 LYS HN 1 MET ME 4.50 (# 3496:25 Unique 2.88, 4.36 A)
&rst
ixpk= 3496, nxpk= 25, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 15, 16, 17,
&end
#
# 31 ALA HN 1 MET ME 5.50 (# 3497:25 Unique 3.25, 4.67 A)
&rst
ixpk= 3497, nxpk= 25, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 1 MET HG+ 31 ALA MB 2.80 (# 3498:25 Unique 2.65, 4.17 A)
&rst
ixpk= 3498, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 11, 12,
igr2= 481, 482, 483,
&end
#
# 1 MET ME 31 ALA MB 2.80 (# 3499:25 Unique 2.31, 4.75 A)
&rst
ixpk= 3499, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 15, 16, 17,
igr2= 481, 482, 483,
&end
#
# 0 AMB 25-2:3500 0 AMB 25-1:3500 4.50 (# 3500:25 Double Ambig)
&rst
ixpk= 3500, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 823, 824, 493, 494, 495, 497, 498, 499,
igr2= 385, 386, 387, 481, 482, 483,
&end
#
# 55 ILE QG2 24 THR MG2 5.50 (# 3501:25 Unique 5.55, 7.75 A)
&rst
ixpk= 3501, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 819, 820, 821,
igr2= 385, 386, 387,
&end
#
# 1 MET HG+ 1 MET HA 3.50 (# 3502:25 Unique 2.29, 3.54 A)
&rst
ixpk= 3502, nxpk= 25, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 11, 12,
&end
#
# 30 ILE QG2 1 MET HA 4.50 (# 3503:25 Unique 4.20, 5.54 A)
&rst
ixpk= 3503, nxpk= 25, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 464, 465, 466,
&end
#
# 37 LEU MDX 37 LEU HA 2.80 (# 3504:25 Unique 2.07, 3.88 A)
&rst
ixpk= 3504, nxpk= 25, iat= -1, 548, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 31 ALA MB 1 MET HB- 4.50 (# 3505:25 Unique 2.67, 5.55 A)
&rst
ixpk= 3505, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 481, 482, 483,
igr2= 8, 9,
&end
#
# 30 ILE HA 1 MET HB- 3.50 (# 3509:25 Unique 2.60, 3.91 A)
&rst
ixpk= 3509, nxpk= 25, iat= 460, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 8, 9,
&end
#
# 0 AMB 25-2:3510 2 LYS HA 3.50 (# 3510:25 Single Ambig)
&rst
ixpk= 3510, nxpk= 25, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 464, 465, 466,1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 25-2:3511 77 ILE HA 5.50 (# 3511:25 Single Ambig)
&rst
ixpk= 3511, nxpk= 25, iat= -1,1132, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1120,1121,1122,1124,1125,1126,1909,1910,1911,1913,
1914,1915,1909,1910,1911,1913,1914,1915,
&end
#
# 6 PHE HD 77 ILE HA 5.50 (# 3512:25 Unique 5.34, 6.57 A)
&rst
ixpk= 3512, nxpk= 25, iat= -1,1132, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 0 AMB 25-2:3513 0 AMB 25-1:3513 5.50 (# 3513:25 Double Ambig)
&rst
ixpk= 3513, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 460, 45,
igr2= 25, 26, 25, 26,
&end
#
# 2 LYS HE+ 2 LYS HG- 3.50 (# 3515:25 Unique 2.22, 3.23 A)
&rst
ixpk= 3515, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 34, 35,
igr2= 28, 29,
&end
#
# 2 LYS HB+ 2 LYS HG- 2.80 (# 3516:25 Unique 2.40, 2.78 A)
&rst
ixpk= 3516, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 25, 26,
igr2= 28, 29,
&end
#
# 131 SER HA 2 LYS HE+ 4.50 (# 3518:25 Unique 2.01, 2.59 A)
&rst
ixpk= 3518, nxpk= 25, iat=1991, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 34, 35,
&end
#
# 0 AMB 25-2:3519 0 AMB 25-1:3519 5.50 (# 3519:25 Double Ambig)
&rst
ixpk= 3519, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1057,1058, 987, 988,
igr2=1001,1002,1001,1002,
&end
#
# 0 AMB 25-2:3524 3 LYS HA 5.50 (# 3524:25 Single Ambig)
&rst
ixpk= 3524, nxpk= 25, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1104,1105,1106,1108,1109,1110, 464, 465, 466, 493,
494, 495, 497, 498, 499,
&end
#
# 4 VAL MGY 3 LYS HA 4.50 (# 3525:25 Unique 2.95, 5.13 A)
&rst
ixpk= 3525, nxpk= 25, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 3 LYS HG- 3 LYS HA 3.50 (# 3526:25 Unique 2.40, 2.94 A)
&rst
ixpk= 3526, nxpk= 25, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 50, 51,
&end
#
# 73 TYR HA 3 LYS HE+ 5.50 (# 3532:25 Unique 4.11, 5.56 A)
&rst
ixpk= 3532, nxpk= 25, iat=1067, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 56, 57,
&end
#
# 0 AMB 25-2:3537 4 VAL MGX 5.50 (# 3537:25 Single Ambig)
&rst
ixpk= 3537, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 307, 507,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 74 ASP HN 4 VAL MGY 5.50 (# 3538:25 Unique 4.96, 6.84 A)
&rst
ixpk= 3538, nxpk= 25, iat=1086, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 23 LYS HA 4 VAL MGY 5.50 (# 3540:25 Unique 5.96, 7.71 A)
&rst
ixpk= 3540, nxpk= 25, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 71, 72, 73, 75, 76, 77,
&end
#
# 68 PHE HA 69 ASN HB- 5.50 (# 3541:25 Unique 4.37, 4.80 A)
&rst
ixpk= 3541, nxpk= 25, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1021,1022,
&end
#
# 65 ILE QG2 64 PRO HB+ 5.50 (# 3542:25 Unique 4.14, 5.92 A)
&rst
ixpk= 3542, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 955, 956, 957,
igr2= 942, 943,
&end
#
# 64 PRO HD+ 64 PRO HB+ 5.50 (# 3543:25 Unique 2.77, 3.66 A)
&rst
ixpk= 3543, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 936, 937,
igr2= 942, 943,
&end
#
# 64 PRO HD+ 64 PRO HB+ 5.50 (# 3544:25 Unique 2.77, 3.66 A)
&rst
ixpk= 3544, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 936, 937,
igr2= 942, 943,
&end
#
# 67 ASN HN 64 PRO HB+ 5.50 (# 3545:25 Unique 3.13, 4.23 A)
&rst
ixpk= 3545, nxpk= 25, iat= 983, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 942, 943,
&end
#
# 0 AMB 25-2:3546 0 AMB 25-1:3546 5.50 (# 3546:25 Double Ambig)
&rst
ixpk= 3546, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 955, 956, 957,1253,1254,1255,1257,1258,1259,
igr2=1267,1268,1267,1268,
&end
#
# 87 PRO HB+ 87 PRO HG+ 3.50 (# 3547:25 Unique 2.36, 2.63 A)
&rst
ixpk= 3547, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1270,1271,
igr2=1267,1268,
&end
#
# 87 PRO HD- 87 PRO HG+ 3.50 (# 3548:25 Unique 2.30, 2.60 A)
&rst
ixpk= 3548, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1264,1265,
igr2=1267,1268,
&end
#
# 87 PRO HD- 87 PRO HG- 4.50 (# 3549:25 Unique 2.30, 2.60 A)
&rst
ixpk= 3549, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1264,1265,
igr2=1267,1268,
&end
#
# 87 PRO HB+ 87 PRO HG- 3.50 (# 3550:25 Unique 2.36, 2.63 A)
&rst
ixpk= 3550, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1270,1271,
igr2=1267,1268,
&end
#
# 87 PRO HD+ 87 PRO HG+ 4.50 (# 3551:25 Unique 2.30, 2.60 A)
&rst
ixpk= 3551, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1264,1265,
igr2=1267,1268,
&end
#
# 87 PRO HD+ 87 PRO HG- 4.50 (# 3552:25 Unique 2.30, 2.60 A)
&rst
ixpk= 3552, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1264,1265,
igr2=1267,1268,
&end
#
# 86 LEU HA 87 PRO HG+ 5.50 (# 3553:25 Unique 4.14, 4.47 A)
&rst
ixpk= 3553, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1267,1268,
&end
#
# 86 LEU HA 87 PRO HG- 4.50 (# 3554:25 Unique 4.14, 4.47 A)
&rst
ixpk= 3554, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1267,1268,
&end
#
# 90 TRP HD1 87 PRO HG+ 4.50 (# 3557:25 Unique 2.22, 3.95 A)
&rst
ixpk= 3557, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1267,1268,
&end
#
# 90 TRP HD1 87 PRO HG- 5.50 (# 3558:25 Unique 2.22, 3.95 A)
&rst
ixpk= 3558, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1267,1268,
&end
#
# 0 AMB 25-2:3559 87 PRO HG- 4.50 (# 3559:25 Single Ambig)
&rst
ixpk= 3559, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 955, 956, 957,1253,1254,1255,1257,1258,1259,
igr2=1267,1268,
&end
#
# 67 ASN HD2- 64 PRO HG+ 5.50 (# 3561:25 Unique 3.59, 4.95 A)
&rst
ixpk= 3561, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 992, 993,
igr2= 939, 940,
&end
#
# 0 AMB 25-2:3562 17 MET HA 2.80 (# 3562:25 Single Ambig)
&rst
ixpk= 3562, nxpk= 25, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 282, 283, 312, 313,
&end
#
# 18 ALA HA 17 MET HB+ 5.50 (# 3563:25 Unique 3.58, 4.44 A)
&rst
ixpk= 3563, nxpk= 25, iat= 297, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 282, 283,
&end
#
# 21 PHE HD 18 ALA MB 5.50 (# 3567:25 Unique 5.41, 7.84 A)
&rst
ixpk= 3567, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 335, 343,
igr2= 299, 300, 301,
&end
#
# 23 LYS HE+ 19 GLU HA 5.50 (# 3568:25 Unique 4.47, 5.92 A)
&rst
ixpk= 3568, nxpk= 25, iat= -1, 307, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 370, 371,
&end
#
# 0 AMB 25-2:3569 0 AMB 25-1:3569 5.50 (# 3569:25 Double Ambig)
&rst
ixpk= 3569, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1501, 846,
igr2=1525,1526, 312, 313,
&end
#
# 57 ILE HA 20 GLY HA+ 5.50 (# 3570:25 Unique 4.46, 5.22 A)
&rst
ixpk= 3570, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 322, 323,
&end
#
# 57 ILE HA 20 GLY HA- 5.50 (# 3571:25 Unique 4.46, 5.22 A)
&rst
ixpk= 3571, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 322, 323,
&end
#
# 55 ILE HB 20 GLY HA- 5.50 (# 3573:25 Unique 4.80, 5.48 A)
&rst
ixpk= 3573, nxpk= 25, iat= 817, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 322, 323,
&end
#
# 55 ILE QG2 21 PHE HA 5.50 (# 3575:25 Unique 4.66, 5.72 A)
&rst
ixpk= 3575, nxpk= 25, iat= -1, 329, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 819, 820, 821,
&end
#
# 23 LYS HN 21 PHE HA 5.50 (# 3576:25 Unique 4.14, 4.42 A)
&rst
ixpk= 3576, nxpk= 25, iat= 357, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3578 21 PHE HB- 5.50 (# 3578:25 Single Ambig)
&rst
ixpk= 3578, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 397, 398, 351, 352, 353,
igr2= 331, 332,
&end
#
# 0 AMB 25-2:3580 0 AMB 25-1:3580 5.50 (# 3580:25 Double Ambig)
&rst
ixpk= 3580, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1535, 395,
igr2=1520, 349,
&end
#
# 123 VAL MGX 22 ALA MB 4.50 (# 3581:25 Unique 2.29, 4.62 A)
&rst
ixpk= 3581, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1861,1862,1863,1865,1866,1867,
igr2= 351, 352, 353,
&end
#
# 0 AMB 25-2:3582 22 ALA MB 5.50 (# 3582:25 Single Ambig)
&rst
ixpk= 3582, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 67, 479,
igr2= 351, 352, 353,
&end
#
# 32 VAL HA 22 ALA MB 5.50 (# 3583:25 Unique 5.06, 5.75 A)
&rst
ixpk= 3583, nxpk= 25, iat= 489, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 351, 352, 353,
&end
#
# 23 LYS HE+ 23 LYS HB- 4.50 (# 3585:25 Unique 2.03, 3.12 A)
&rst
ixpk= 3585, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 370, 371,
igr2= 361, 362,
&end
#
# 23 LYS HA 23 LYS HB- 3.50 (# 3586:25 Unique 2.26, 2.55 A)
&rst
ixpk= 3586, nxpk= 25, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 361, 362,
&end
#
# 23 LYS HB+ 23 LYS HG+ 3.50 (# 3587:25 Unique 2.23, 2.75 A)
&rst
ixpk= 3587, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 361, 362,
igr2= 364, 365,
&end
#
# 23 LYS HB+ 23 LYS HG- 3.50 (# 3588:25 Unique 2.23, 2.75 A)
&rst
ixpk= 3588, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 361, 362,
igr2= 364, 365,
&end
#
# 23 LYS HE+ 23 LYS HG+ 4.50 (# 3589:25 Unique 2.30, 3.41 A)
&rst
ixpk= 3589, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 370, 371,
igr2= 364, 365,
&end
#
# 23 LYS HE+ 23 LYS HG- 4.50 (# 3590:25 Unique 2.30, 3.41 A)
&rst
ixpk= 3590, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 370, 371,
igr2= 364, 365,
&end
#
# 0 AMB 25-2:3591 24 THR HB 5.50 (# 3591:25 Single Ambig)
&rst
ixpk= 3591, nxpk= 25, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 364, 365, 397, 398,
&end
#
# 23 LYS HN 24 THR HB 5.50 (# 3592:25 Unique 4.33, 4.50 A)
&rst
ixpk= 3592, nxpk= 25, iat= 357, 383, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3593 0 AMB 25-1:3593 5.50 (# 3593:25 Double Ambig)
&rst
ixpk= 3593, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 813, 458,
igr2= 385, 386, 387, 481, 482, 483,
&end
#
# 26 GLY HN 24 THR MG2 5.50 (# 3594:25 Unique 5.10, 5.96 A)
&rst
ixpk= 3594, nxpk= 25, iat= 412, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 385, 386, 387,
&end
#
# 21 PHE HE 24 THR MG2 5.50 (# 3595:25 Unique 3.41, 6.31 A)
&rst
ixpk= 3595, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 337, 341,
igr2= 385, 386, 387,
&end
#
# 22 ALA HA 24 THR MG2 5.50 (# 3598:25 Unique 6.04, 6.89 A)
&rst
ixpk= 3598, nxpk= 25, iat= 349, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 385, 386, 387,
&end
#
# 30 ILE HG1+ 27 ALA HA 5.50 (# 3601:25 Unique 5.00, 5.56 A)
&rst
ixpk= 3601, nxpk= 25, iat= -1, 421, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 468, 469,
&end
#
# 26 GLY HA+ 29 LYS HB+ 5.50 (# 3606:25 Unique 2.54, 4.74 A)
&rst
ixpk= 3606, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 414, 415,
igr2= 440, 441,
&end
#
# 4 VAL HN 30 ILE HB 5.50 (# 3607:25 Unique 4.26, 4.62 A)
&rst
ixpk= 3607, nxpk= 25, iat= 65, 462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 ILE HN 30 ILE QD1 5.50 (# 3608:25 Unique 5.36, 5.70 A)
&rst
ixpk= 3608, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 471, 472, 473,
&end
#
# 131 SER HB- 30 ILE QG2 5.50 (# 3609:25 Unique 3.92, 5.31 A)
&rst
ixpk= 3609, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1993,1994,
igr2= 464, 465, 466,
&end
#
# 31 ALA MB 31 ALA HA 2.80 (# 3610:25 Unique 2.44, 2.67 A)
&rst
ixpk= 3610, nxpk= 25, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 481, 482, 483,
&end
#
# 0 AMB 25-2:3611 31 ALA HA 5.50 (# 3611:25 Single Ambig)
&rst
ixpk= 3611, nxpk= 25, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 493, 494, 495, 497, 498, 499, 468, 469,
&end
#
# 1 MET ME 31 ALA HA 5.50 (# 3612:25 Unique 2.70, 4.16 A)
&rst
ixpk= 3612, nxpk= 25, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 15, 16, 17,
&end
#
# 107 GLN HE2+ 111 VAL MGY 5.50 (# 3614:25 Unique 2.60, 5.19 A)
&rst
ixpk= 3614, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1590,1591,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 34 SER HN 32 VAL MGY 5.50 (# 3616:25 Unique 3.36, 5.82 A)
&rst
ixpk= 3616, nxpk= 25, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 19 GLU HB+ 34 SER HB+ 3.50 (# 3621:25 Unique 2.31, 3.60 A)
&rst
ixpk= 3621, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 309, 310,
igr2= 521, 522,
&end
#
# 37 LEU HB+ 37 LEU HA 2.80 (# 3625:25 Unique 2.45, 2.81 A)
&rst
ixpk= 3625, nxpk= 25, iat= -1, 548, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 550, 551,
&end
#
# 38 GLU HN 37 LEU MDX 5.50 (# 3627:25 Unique 3.54, 5.46 A)
&rst
ixpk= 3627, nxpk= 25, iat= 565, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 39 SER HN 38 GLU HG- 5.50 (# 3630:25 Unique 4.16, 4.83 A)
&rst
ixpk= 3630, nxpk= 25, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 572, 573,
&end
#
# 52 GLU HN 51 GLU HG+ 4.50 (# 3632:25 Unique 3.99, 4.52 A)
&rst
ixpk= 3632, nxpk= 25, iat= 775, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 767, 768,
&end
#
# 84 VAL MGY 82 SER HA 5.50 (# 3637:25 Unique 2.45, 4.99 A)
&rst
ixpk= 3637, nxpk= 25, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1220,1221,1222,1224,1225,1226,
&end
#
# 0 AMB 25-2:3645 42 VAL HA 5.50 (# 3645:25 Single Ambig)
&rst
ixpk= 3645, nxpk= 25, iat= -1, 628, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 194, 195, 888, 889,
&end
#
# 0 AMB 25-2:3648 42 VAL MGX 4.50 (# 3648:25 Single Ambig)
&rst
ixpk= 3648, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 604, 846,
igr2= 632, 633, 634, 636, 637, 638,
&end
#
# 47 ILE HA 47 ILE HB 4.50 (# 3654:25 Unique 3.05, 3.07 A)
&rst
ixpk= 3654, nxpk= 25, iat= 699, 701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 SER HN 47 ILE QD1 5.50 (# 3657:25 Unique 4.25, 5.22 A)
&rst
ixpk= 3657, nxpk= 25, iat= 863, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 710, 711, 712,
&end
#
# 47 ILE HA 48 ALA MB 5.50 (# 3660:25 Unique 5.75, 6.15 A)
&rst
ixpk= 3660, nxpk= 25, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 720, 721, 722,
&end
#
# 112 PHE HB- 49 MET HG+ 3.50 (# 3662:25 Unique 2.05, 3.08 A)
&rst
ixpk= 3662, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1660,1661,
igr2= 733, 734,
&end
#
# 55 ILE HG1+ 51 GLU HA 5.50 (# 3663:25 Unique 4.51, 5.42 A)
&rst
ixpk= 3663, nxpk= 25, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 823, 824,
&end
#
# 51 GLU HA 51 GLU HG+ 2.80 (# 3665:25 Unique 2.39, 2.91 A)
&rst
ixpk= 3665, nxpk= 25, iat= 762, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 767, 768,
&end
#
# 53 VAL MGY 52 GLU HG- 5.50 (# 3666:25 Unique 2.45, 5.71 A)
&rst
ixpk= 3666, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 796, 797, 798, 800, 801, 802,
igr2= 782, 783,
&end
#
# 55 ILE QD1 53 VAL HB 5.50 (# 3669:25 Unique 4.00, 5.33 A)
&rst
ixpk= 3669, nxpk= 25, iat= -1, 794, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 826, 827, 828,
&end
#
# 55 ILE QD1 53 VAL MGX 2.80 (# 3671:25 Unique 2.49, 5.80 A)
&rst
ixpk= 3671, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 826, 827, 828,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 55 ILE HG1+ 53 VAL MGX 2.80 (# 3672:25 Unique 2.08, 4.47 A)
&rst
ixpk= 3672, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 823, 824,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 51 GLU HN 53 VAL MGX 5.50 (# 3673:25 Unique 4.77, 6.81 A)
&rst
ixpk= 3673, nxpk= 25, iat= 760, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 116 ARG HE 53 VAL MGX 5.50 (# 3674:25 Unique 2.27, 4.61 A)
&rst
ixpk= 3674, nxpk= 25, iat=1743, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 56 ASP HN 55 ILE HB 5.50 (# 3675:25 Unique 3.94, 4.19 A)
&rst
ixpk= 3675, nxpk= 25, iat= 832, 817, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HD 55 ILE QG2 5.50 (# 3676:25 Unique 5.44, 7.04 A)
&rst
ixpk= 3676, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 335, 343,
igr2= 819, 820, 821,
&end
#
# 24 THR HN 55 ILE QG2 5.50 (# 3677:25 Unique 5.21, 6.63 A)
&rst
ixpk= 3677, nxpk= 25, iat= 379, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 819, 820, 821,
&end
#
# 57 ILE HA 56 ASP HB- 5.50 (# 3679:25 Unique 4.96, 5.43 A)
&rst
ixpk= 3679, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 836, 837,
&end
#
# 57 ILE HA 56 ASP HB- 5.50 (# 3680:25 Unique 4.96, 5.43 A)
&rst
ixpk= 3680, nxpk= 25, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 836, 837,
&end
#
# 0 AMB 25-2:3682 57 ILE HA 5.50 (# 3682:25 Single Ambig)
&rst
ixpk= 3682, nxpk= 25, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 857, 858, 859, 707, 708,
&end
#
# 0 AMB 25-2:3683 57 ILE HB 5.50 (# 3683:25 Single Ambig)
&rst
ixpk= 3683, nxpk= 25, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 844, 626,
&end
#
# 56 ASP HN 55 ILE HG1- 5.50 (# 3684:25 Unique 3.33, 4.84 A)
&rst
ixpk= 3684, nxpk= 25, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 823, 824,
&end
#
# 112 PHE HZ 104 PRO HA 5.50 (# 3687:25 Unique 5.17, 5.50 A)
&rst
ixpk= 3687, nxpk= 25, iat=1668,1555, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 GLN HE2- 19 GLU HB+ 4.50 (# 3688:25 Unique 2.68, 4.97 A)
&rst
ixpk= 3688, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 893, 894,
igr2= 309, 310,
&end
#
# 35 SER HB+ 65 ILE HB 5.50 (# 3693:25 Unique 2.20, 2.94 A)
&rst
ixpk= 3693, nxpk= 25, iat= -1, 953, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 532, 533,
&end
#
# 90 TRP HB- 65 ILE QD1 5.50 (# 3695:25 Unique 3.27, 5.01 A)
&rst
ixpk= 3695, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1310,1311,
igr2= 962, 963, 964,
&end
#
# 0 AMB 25-2:3696 65 ILE QD1 5.50 (# 3696:25 Single Ambig)
&rst
ixpk= 3696, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1319,1005,1013,
igr2= 962, 963, 964,
&end
#
# 87 PRO HD+ 65 ILE QG2 5.50 (# 3697:25 Unique 2.73, 4.69 A)
&rst
ixpk= 3697, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1264,1265,
igr2= 955, 956, 957,
&end
#
# 87 PRO HD- 65 ILE QG2 5.50 (# 3698:25 Unique 2.73, 4.69 A)
&rst
ixpk= 3698, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1264,1265,
igr2= 955, 956, 957,
&end
#
# 67 ASN HN 66 GLU HB+ 2.80 (# 3699:25 Unique 2.86, 3.50 A)
&rst
ixpk= 3699, nxpk= 25, iat= 983, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 972, 973,
&end
#
# 63 ASP HB+ 67 ASN HA 5.50 (# 3701:25 Unique 5.01, 6.59 A)
&rst
ixpk= 3701, nxpk= 25, iat= -1, 985, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 927, 928,
&end
#
# 68 PHE HN 67 ASN HB+ 5.50 (# 3702:25 Unique 3.02, 3.91 A)
&rst
ixpk= 3702, nxpk= 25, iat= 997, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 987, 988,
&end
#
# 68 PHE HN 67 ASN HB- 4.50 (# 3703:25 Unique 3.02, 3.91 A)
&rst
ixpk= 3703, nxpk= 25, iat= 997, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 987, 988,
&end
#
# 64 PRO HD+ 67 ASN HB- 5.50 (# 3704:25 Unique 2.78, 4.78 A)
&rst
ixpk= 3704, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 936, 937,
igr2= 987, 988,
&end
#
# 64 PRO HD+ 67 ASN HB+ 5.50 (# 3705:25 Unique 2.78, 4.78 A)
&rst
ixpk= 3705, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 936, 937,
igr2= 987, 988,
&end
#
# 69 ASN HD2+ 69 ASN HA 5.50 (# 3706:25 Unique 4.35, 4.67 A)
&rst
ixpk= 3706, nxpk= 25, iat= -1,1019, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1026,1027,
&end
#
# 0 AMB 25-2:3707 48 ALA HA 5.50 (# 3707:25 Single Ambig)
&rst
ixpk= 3707, nxpk= 25, iat= -1, 718, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 707, 708, 857, 858, 859,
&end
#
# 69 ASN HD2+ 71 ASP HA 5.50 (# 3709:25 Unique 4.93, 5.87 A)
&rst
ixpk= 3709, nxpk= 25, iat= -1,1043, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1026,1027,
&end
#
# 70 ALA MB 71 ASP HB+ 5.50 (# 3711:25 Unique 4.52, 5.96 A)
&rst
ixpk= 3711, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1035,1036,1037,
igr2=1045,1046,
&end
#
# 69 ASN HD2- 72 ASP HB+ 4.50 (# 3712:25 Unique 2.38, 5.42 A)
&rst
ixpk= 3712, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1026,1027,
igr2=1057,1058,
&end
#
# 73 TYR HA 72 ASP HB- 5.50 (# 3713:25 Unique 4.73, 5.39 A)
&rst
ixpk= 3713, nxpk= 25, iat=1067, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1057,1058,
&end
#
# 74 ASP HB+ 73 TYR HA 5.50 (# 3714:25 Unique 4.28, 4.51 A)
&rst
ixpk= 3714, nxpk= 25, iat= -1,1067, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1090,1091,
&end
#
# 73 TYR HE 73 TYR HA 5.50 (# 3715:25 Unique 4.77, 4.99 A)
&rst
ixpk= 3715, nxpk= 25, iat= -1,1067, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1075,1080,
&end
#
# 73 TYR HN 73 TYR HB+ 2.80 (# 3716:25 Unique 2.47, 3.16 A)
&rst
ixpk= 3716, nxpk= 25, iat=1065, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1069,1070,
&end
#
# 0 AMB 25-2:3718 0 AMB 25-1:3718 5.50 (# 3718:25 Double Ambig)
&rst
ixpk= 3718, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.76, r4=11.51,
igr1=1104,1105,1106,1108,1109,1110,1140,1141,1253,1254,
1255,1257,1258,1259,
igr2=1069,1070, 85, 86,
&end
#
# 0 AMB 25-2:3719 74 ASP HB- 5.50 (# 3719:25 Single Ambig)
&rst
ixpk= 3719, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 21,1114,
igr2=1090,1091,
&end
#
# 26 GLY HA- 29 LYS HB- 5.50 (# 3721:25 Unique 2.54, 4.74 A)
&rst
ixpk= 3721, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 414, 415,
igr2= 440, 441,
&end
#
# 74 ASP HB- 75 VAL HB 5.50 (# 3722:25 Unique 3.84, 4.97 A)
&rst
ixpk= 3722, nxpk= 25, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1090,1091,
&end
#
# 0 AMB 25-2:3723 75 VAL MGX 4.50 (# 3723:25 Single Ambig)
&rst
ixpk= 3723, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 23,1132,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 25-2:3724 75 VAL MGY 5.50 (# 3724:25 Single Ambig)
&rst
ixpk= 3724, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1367,1368,1904,1905,
igr2=1104,1105,1106,1108,1109,1110,
&end
#
# 4 VAL HA 76 VAL MGX 5.50 (# 3729:25 Unique 4.46, 6.15 A)
&rst
ixpk= 3729, nxpk= 25, iat= 67, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:3730 76 VAL MGX 5.50 (# 3730:25 Single Ambig)
&rst
ixpk= 3730, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1151, 83,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:3731 76 VAL MGY 5.50 (# 3731:25 Single Ambig)
&rst
ixpk= 3731, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1132,1362,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 0 AMB 25-2:3732 76 VAL MGY 5.50 (# 3732:25 Single Ambig)
&rst
ixpk= 3732, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1149,1086,
igr2=1120,1121,1122,1124,1125,1126,
&end
#
# 77 ILE HG1+ 77 ILE HA 5.50 (# 3733:25 Unique 3.08, 3.55 A)
&rst
ixpk= 3733, nxpk= 25, iat= -1,1132, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1140,1141,
&end
#
# 5 MET HB- 77 ILE HB 5.50 (# 3734:25 Unique 4.86, 5.34 A)
&rst
ixpk= 3734, nxpk= 25, iat= -1,1134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 85, 86,
&end
#
# 0 AMB 25-2:3735 0 AMB 25-1:3735 5.50 (# 3735:25 Double Ambig)
&rst
ixpk= 3735, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1435,1436,1438,1439,
igr2=1140,1141,1140,1141,
&end
#
# 82 SER HA 82 SER HB+ 2.80 (# 3736:25 Unique 2.36, 2.65 A)
&rst
ixpk= 3736, nxpk= 25, iat=1198, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1200,1201,
&end
#
# 86 LEU HN 85 ASN HB+ 5.50 (# 3739:25 Unique 2.44, 4.30 A)
&rst
ixpk= 3739, nxpk= 25, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 86 LEU MDX 86 LEU HA 5.50 (# 3741:25 Unique 2.24, 4.25 A)
&rst
ixpk= 3741, nxpk= 25, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1253,1254,1255,1257,1258,1259,
&end
#
# 87 PRO HD- 86 LEU HB+ 5.50 (# 3742:25 Unique 2.34, 4.29 A)
&rst
ixpk= 3742, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1264,1265,
igr2=1248,1249,
&end
#
# 86 LEU HN 86 LEU HG 5.50 (# 3743:25 Unique 3.70, 4.14 A)
&rst
ixpk= 3743, nxpk= 25, iat=1244,1251, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 ILE QD1 86 LEU MDX 5.50 (# 3744:25 Unique 2.33, 5.03 A)
&rst
ixpk= 3744, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 962, 963, 964,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 92 THR MG2 88 PRO HB+ 5.50 (# 3746:25 Unique 3.22, 4.76 A)
&rst
ixpk= 3746, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1352,1353,1354,
igr2=1284,1285,
&end
#
# 91 VAL MGY 88 PRO HB+ 5.50 (# 3747:25 Unique 2.79, 5.66 A)
&rst
ixpk= 3747, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1336,1337,1338,1340,1341,1342,
igr2=1284,1285,
&end
#
# 86 LEU MDY 87 PRO HD+ 4.50 (# 3748:25 Unique 2.20, 5.30 A)
&rst
ixpk= 3748, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1264,1265,
&end
#
# 86 LEU MDX 87 PRO HD+ 5.50 (# 3749:25 Unique 2.20, 5.30 A)
&rst
ixpk= 3749, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1264,1265,
&end
#
# 86 LEU MDY 87 PRO HD- 4.50 (# 3750:25 Unique 2.20, 5.30 A)
&rst
ixpk= 3750, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1264,1265,
&end
#
# 0 AMB 25-2:3751 87 PRO HD- 4.50 (# 3751:25 Single Ambig)
&rst
ixpk= 3751, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1253,1254,1255,1257,1258,1259, 955, 956, 957,
igr2=1264,1265,
&end
#
# 86 LEU HB- 87 PRO HD+ 4.50 (# 3752:25 Unique 2.34, 4.29 A)
&rst
ixpk= 3752, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1248,1249,
igr2=1264,1265,
&end
#
# 86 LEU HB+ 87 PRO HD+ 4.50 (# 3753:25 Unique 2.34, 4.29 A)
&rst
ixpk= 3753, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1248,1249,
igr2=1264,1265,
&end
#
# 86 LEU HB- 87 PRO HD- 4.50 (# 3754:25 Unique 2.34, 4.29 A)
&rst
ixpk= 3754, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1248,1249,
igr2=1264,1265,
&end
#
# 86 LEU HB+ 87 PRO HD- 4.50 (# 3755:25 Unique 2.34, 4.29 A)
&rst
ixpk= 3755, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1248,1249,
igr2=1264,1265,
&end
#
# 87 PRO HG+ 87 PRO HD+ 2.80 (# 3756:25 Unique 2.30, 2.60 A)
&rst
ixpk= 3756, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1267,1268,
igr2=1264,1265,
&end
#
# 0 AMB 25-2:3757 87 PRO HD- 3.50 (# 3757:25 Single Ambig)
&rst
ixpk= 3757, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1270,1271, 972, 973,
igr2=1264,1265,
&end
#
# 0 AMB 25-2:3758 87 PRO HD- 2.80 (# 3758:25 Single Ambig)
&rst
ixpk= 3758, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1267,1268, 975, 976,
igr2=1264,1265,
&end
#
# 87 PRO HB+ 87 PRO HD+ 5.50 (# 3759:25 Unique 2.83, 3.69 A)
&rst
ixpk= 3759, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1270,1271,
igr2=1264,1265,
&end
#
# 90 TRP HB- 87 PRO HD+ 5.50 (# 3760:25 Unique 4.09, 5.60 A)
&rst
ixpk= 3760, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1310,1311,
igr2=1264,1265,
&end
#
# 87 PRO HB+ 87 PRO HD- 5.50 (# 3761:25 Unique 2.83, 3.69 A)
&rst
ixpk= 3761, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1270,1271,
igr2=1264,1265,
&end
#
# 86 LEU HA 87 PRO HD+ 2.80 (# 3765:25 Unique 2.02, 2.43 A)
&rst
ixpk= 3765, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1264,1265,
&end
#
# 86 LEU HA 87 PRO HD- 2.80 (# 3766:25 Unique 2.02, 2.43 A)
&rst
ixpk= 3766, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1264,1265,
&end
#
# 90 TRP HD1 87 PRO HD+ 5.50 (# 3767:25 Unique 2.24, 3.11 A)
&rst
ixpk= 3767, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1264,1265,
&end
#
# 90 TRP HD1 87 PRO HD- 4.50 (# 3768:25 Unique 2.24, 3.11 A)
&rst
ixpk= 3768, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1264,1265,
&end
#
# 89 GLU HN 88 PRO HD+ 4.50 (# 3769:25 Unique 2.90, 3.58 A)
&rst
ixpk= 3769, nxpk= 25, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1278,1279,
&end
#
# 67 ASN HD2+ 64 PRO HD- 5.50 (# 3770:25 Unique 2.47, 5.01 A)
&rst
ixpk= 3770, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 992, 993,
igr2= 936, 937,
&end
#
# 67 ASN HD2- 64 PRO HD- 5.50 (# 3771:25 Unique 2.47, 5.01 A)
&rst
ixpk= 3771, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 992, 993,
igr2= 936, 937,
&end
#
# 67 ASN HD2+ 64 PRO HD+ 4.50 (# 3772:25 Unique 2.47, 5.01 A)
&rst
ixpk= 3772, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 992, 993,
igr2= 936, 937,
&end
#
# 67 ASN HD2- 64 PRO HD+ 5.50 (# 3773:25 Unique 2.47, 5.01 A)
&rst
ixpk= 3773, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 992, 993,
igr2= 936, 937,
&end
#
# 63 ASP HA 64 PRO HD- 2.80 (# 3776:25 Unique 2.27, 2.64 A)
&rst
ixpk= 3776, nxpk= 25, iat= 925, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 936, 937,
&end
#
# 63 ASP HA 64 PRO HD+ 2.80 (# 3777:25 Unique 2.27, 2.64 A)
&rst
ixpk= 3777, nxpk= 25, iat= 925, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 936, 937,
&end
#
# 63 ASP HB+ 64 PRO HD+ 2.80 (# 3787:25 Unique 2.27, 3.95 A)
&rst
ixpk= 3787, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 927, 928,
igr2= 936, 937,
&end
#
# 0 AMB 25-2:3788 0 AMB 25-1:3788 4.50 (# 3788:25 Double Ambig)
&rst
ixpk= 3788, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 942, 943, 987, 988,
igr2= 936, 937, 936, 937,
&end
#
# 0 AMB 25-2:3789 0 AMB 25-1:3789 3.50 (# 3789:25 Double Ambig)
&rst
ixpk= 3789, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 942, 943,1284,1285, 987, 988,
igr2= 936, 937,1278,1279,
&end
#
# 64 PRO HG- 64 PRO HD- 2.80 (# 3790:25 Unique 2.31, 2.61 A)
&rst
ixpk= 3790, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 939, 940,
igr2= 936, 937,
&end
#
# 64 PRO HG- 64 PRO HD+ 2.80 (# 3791:25 Unique 2.31, 2.61 A)
&rst
ixpk= 3791, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 939, 940,
igr2= 936, 937,
&end
#
# 91 VAL MGY 89 GLU HA 5.50 (# 3793:25 Unique 5.00, 6.75 A)
&rst
ixpk= 3793, nxpk= 25, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 90 TRP HD1 89 GLU HB+ 5.50 (# 3796:25 Unique 3.05, 5.78 A)
&rst
ixpk= 3796, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1295,1296,
&end
#
# 0 AMB 25-2:3797 0 AMB 25-1:3797 5.50 (# 3797:25 Double Ambig)
&rst
ixpk= 3797, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1970,1431,1325,
igr2=1907,1295,1296,
&end
#
# 7 VAL MGX 90 TRP HB+ 5.50 (# 3800:25 Unique 3.75, 6.33 A)
&rst
ixpk= 3800, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 124, 125, 126, 128, 129, 130,
igr2=1310,1311,
&end
#
# 7 VAL MGX 90 TRP HB- 5.50 (# 3801:25 Unique 3.75, 6.33 A)
&rst
ixpk= 3801, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 124, 125, 126, 128, 129, 130,
igr2=1310,1311,
&end
#
# 88 PRO HB- 91 VAL MGX 5.50 (# 3803:25 Unique 2.79, 5.66 A)
&rst
ixpk= 3803, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1284,1285,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 0 AMB 25-2:3804 91 VAL MGX 5.50 (# 3804:25 Single Ambig)
&rst
ixpk= 3804, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1198,1350,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 90 TRP HN 91 VAL MGX 5.50 (# 3805:25 Unique 3.57, 5.10 A)
&rst
ixpk= 3805, nxpk= 25, iat=1306, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1336,1337,1338,1340,1341,1342,
&end
#
# 96 PHE HA 92 THR HA 5.50 (# 3808:25 Unique 5.58, 5.64 A)
&rst
ixpk= 3808, nxpk= 25, iat=1413,1348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ILE HN 93 GLN HB- 5.50 (# 3810:25 Unique 2.45, 3.30 A)
&rst
ixpk= 3810, nxpk= 25, iat=1392, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1364,1365,
&end
#
# 93 GLN HG- 93 GLN HB- 2.80 (# 3811:25 Unique 2.34, 2.61 A)
&rst
ixpk= 3811, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1367,1368,
igr2=1364,1365,
&end
#
# 76 VAL MGX 93 GLN HG+ 5.50 (# 3812:25 Unique 2.17, 4.24 A)
&rst
ixpk= 3812, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1367,1368,
&end
#
# 76 VAL MGX 93 GLN HG- 4.50 (# 3813:25 Unique 2.17, 4.24 A)
&rst
ixpk= 3813, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1367,1368,
&end
#
# 77 ILE QG2 79 LEU HG 4.50 (# 3814:25 Unique 2.20, 3.63 A)
&rst
ixpk= 3814, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1136,1137,1138,
&end
#
# 101 LEU MDY 79 LEU HG 4.50 (# 3815:25 Unique 4.21, 6.20 A)
&rst
ixpk= 3815, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1508,1509,1510,1512,1513,1514,
&end
#
# 79 LEU HB- 79 LEU HG 2.80 (# 3816:25 Unique 2.48, 2.80 A)
&rst
ixpk= 3816, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1164,1165,
&end
#
# 79 LEU HB+ 79 LEU HG 2.80 (# 3817:25 Unique 2.48, 2.80 A)
&rst
ixpk= 3817, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1164,1165,
&end
#
# 8 CYS HB- 79 LEU HG 4.50 (# 3818:25 Unique 4.42, 5.33 A)
&rst
ixpk= 3818, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 138, 139,
&end
#
# 99 TRP HB- 79 LEU HG 5.50 (# 3819:25 Unique 4.63, 6.33 A)
&rst
ixpk= 3819, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1462,1463,
&end
#
# 99 TRP HB+ 79 LEU HG 5.50 (# 3821:25 Unique 4.63, 6.33 A)
&rst
ixpk= 3821, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1462,1463,
&end
#
# 0 AMB 25-2:3822 79 LEU HG 5.50 (# 3822:25 Single Ambig)
&rst
ixpk= 3822, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 254, 255, 236, 237,
&end
#
# 0 AMB 25-2:3823 79 LEU HG 5.50 (# 3823:25 Single Ambig)
&rst
ixpk= 3823, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1153,1154, 297,
&end
#
# 8 CYS HB+ 79 LEU HG 4.50 (# 3824:25 Unique 4.42, 5.33 A)
&rst
ixpk= 3824, nxpk= 25, iat= -1,1167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 138, 139,
&end
#
# 78 SER HA 79 LEU HG 5.50 (# 3827:25 Unique 3.51, 4.27 A)
&rst
ixpk= 3827, nxpk= 25, iat=1151,1167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HZ2 97 GLU HB- 5.50 (# 3835:25 Unique 2.57, 3.16 A)
&rst
ixpk= 3835, nxpk= 25, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1435,1436,
&end
#
# 97 GLU HA 98 ASP HB+ 4.50 (# 3836:25 Unique 3.71, 4.31 A)
&rst
ixpk= 3836, nxpk= 25, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1450,1451,
&end
#
# 100 GLN HN 100 GLN HG+ 5.50 (# 3839:25 Unique 2.60, 4.15 A)
&rst
ixpk= 3839, nxpk= 25, iat=1482, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1489,1490,
&end
#
# 100 GLN HA 100 GLN HG+ 3.50 (# 3840:25 Unique 2.46, 2.94 A)
&rst
ixpk= 3840, nxpk= 25, iat=1484, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1489,1490,
&end
#
# 79 LEU HG 79 LEU HB+ 3.50 (# 3845:25 Unique 2.48, 2.80 A)
&rst
ixpk= 3845, nxpk= 25, iat=1167, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1164,1165,
&end
#
# 79 LEU HG 79 LEU HB- 4.50 (# 3846:25 Unique 2.48, 2.80 A)
&rst
ixpk= 3846, nxpk= 25, iat=1167, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1164,1165,
&end
#
# 101 LEU MDY 79 LEU HB- 5.50 (# 3847:25 Unique 2.17, 5.91 A)
&rst
ixpk= 3847, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1508,1509,1510,1512,1513,1514,
igr2=1164,1165,
&end
#
# 79 LEU HA 79 LEU HB+ 5.50 (# 3851:25 Unique 2.33, 2.79 A)
&rst
ixpk= 3851, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1164,1165,
&end
#
# 79 LEU HA 79 LEU HB- 5.50 (# 3852:25 Unique 2.33, 2.79 A)
&rst
ixpk= 3852, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1164,1165,
&end
#
# 79 LEU HA 101 LEU MDY 5.50 (# 3854:25 Unique 2.67, 5.70 A)
&rst
ixpk= 3854, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 101 LEU HA 102 GLU HA 4.50 (# 3855:25 Unique 4.16, 4.30 A)
&rst
ixpk= 3855, nxpk= 25, iat=1501,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 ASP HN 104 PRO HG+ 5.50 (# 3857:25 Unique 3.02, 4.12 A)
&rst
ixpk= 3857, nxpk= 25, iat=1559, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1549,1550,
&end
#
# 107 GLN HG- 105 ASP HB- 5.50 (# 3862:25 Unique 4.42, 6.10 A)
&rst
ixpk= 3862, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1585,1586,
igr2=1563,1564,
&end
#
# 107 GLN HN 105 ASP HB- 5.50 (# 3865:25 Unique 4.81, 5.60 A)
&rst
ixpk= 3865, nxpk= 25, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1563,1564,
&end
#
# 0 AMB 25-2:3867 107 GLN HB- 5.50 (# 3867:25 Single Ambig)
&rst
ixpk= 3867, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1590,1591,1664,1672,
igr2=1582,1583,
&end
#
# 111 VAL HN 108 SER HA 5.50 (# 3869:25 Unique 4.57, 4.81 A)
&rst
ixpk= 3869, nxpk= 25, iat=1640,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 PHE HN 109 LEU MDX 5.50 (# 3871:25 Unique 4.20, 6.58 A)
&rst
ixpk= 3871, nxpk= 25, iat=1656, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 114 THR MG2 111 VAL HA 4.50 (# 3873:25 Unique 3.64, 4.20 A)
&rst
ixpk= 3873, nxpk= 25, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1706,1707,1708,
&end
#
# 1 MET HN 31 ALA MB 5.50 (# 3877:25 Unique 5.62, 6.64 A)
&rst
ixpk= 3877, nxpk= 25, iat= 2, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 481, 482, 483,
&end
#
# 107 GLN HE2- 111 VAL MGX 4.50 (# 3878:25 Unique 2.60, 5.19 A)
&rst
ixpk= 3878, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1590,1591,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 108 SER HB+ 111 VAL MGX 5.50 (# 3879:25 Unique 2.28, 5.90 A)
&rst
ixpk= 3879, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1599,1600,
igr2=1646,1647,1648,1650,1651,1652,
&end
#
# 0 AMB 25-2:3882 112 PHE HB- 5.50 (# 3882:25 Single Ambig)
&rst
ixpk= 3882, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1683,1684,1610,1611,
igr2=1660,1661,
&end
#
# 113 ARG HD+ 113 ARG HB+ 4.50 (# 3883:25 Unique 2.42, 2.86 A)
&rst
ixpk= 3883, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1686,1687,
igr2=1680,1681,
&end
#
# 87 PRO HD- 87 PRO HB- 5.50 (# 3885:25 Unique 2.83, 3.69 A)
&rst
ixpk= 3885, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1264,1265,
igr2=1270,1271,
&end
#
# 116 ARG HG- 117 GLY HA- 5.50 (# 3888:25 Unique 4.50, 6.67 A)
&rst
ixpk= 3888, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1737,1738,
igr2=1756,1757,
&end
#
# 118 GLN HE2- 118 GLN HA 5.50 (# 3889:25 Unique 4.08, 4.81 A)
&rst
ixpk= 3889, nxpk= 25, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1773,1774,
&end
#
# 118 GLN HE2+ 118 GLN HB- 5.50 (# 3890:25 Unique 2.24, 4.21 A)
&rst
ixpk= 3890, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1773,1774,
igr2=1765,1766,
&end
#
# 0 AMB 25-2:3892 120 LYS HA 5.50 (# 3892:25 Single Ambig)
&rst
ixpk= 3892, nxpk= 25, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1818, 349,
&end
#
# 21 PHE HD 120 LYS HG+ 5.50 (# 3893:25 Unique 3.38, 5.02 A)
&rst
ixpk= 3893, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 335, 343,
igr2=1801,1802,
&end
#
# 0 AMB 25-2:3894 37 LEU MDY 5.50 (# 3894:25 Single Ambig)
&rst
ixpk= 3894, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 975, 976, 942, 943,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 120 LYS HN 120 LYS HD+ 5.50 (# 3895:25 Unique 4.79, 4.89 A)
&rst
ixpk= 3895, nxpk= 25, iat=1794, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1804,1805,
&end
#
# 120 LYS HB+ 121 GLU HA 5.50 (# 3896:25 Unique 4.00, 4.80 A)
&rst
ixpk= 3896, nxpk= 25, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1798,1799,
&end
#
# 0 AMB 25-2:3898 122 ARG HA 5.50 (# 3898:25 Single Ambig)
&rst
ixpk= 3898, nxpk= 25, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1857,1873,
&end
#
# 124 GLU HN 122 ARG HA 5.50 (# 3899:25 Unique 4.41, 4.55 A)
&rst
ixpk= 3899, nxpk= 25, iat=1871,1833, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 PHE HZ 123 VAL HA 5.50 (# 3901:25 Unique 3.36, 4.04 A)
&rst
ixpk= 3901, nxpk= 25, iat= 110,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 114 THR MG2 111 VAL HB 5.50 (# 3903:25 Unique 6.31, 6.84 A)
&rst
ixpk= 3903, nxpk= 25, iat= -1,1644, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1706,1707,1708,
&end
#
# 0 AMB 25-2:3905 123 VAL MGX 4.50 (# 3905:25 Single Ambig)
&rst
ixpk= 3905, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1904,1905, 400,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 18 ALA HA 123 VAL MGX 3.50 (# 3906:25 Unique 2.08, 4.10 A)
&rst
ixpk= 3906, nxpk= 25, iat= 297, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 127 ILE HN 125 ASN HB- 5.50 (# 3908:25 Unique 5.13, 5.62 A)
&rst
ixpk= 3908, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1890,1891,
&end
#
# 127 ILE HN 125 ASN HB+ 5.50 (# 3909:25 Unique 5.13, 5.62 A)
&rst
ixpk= 3909, nxpk= 25, iat=1919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1890,1891,
&end
#
# 99 TRP HZ2 125 ASN HB- 5.50 (# 3910:25 Unique 3.75, 5.43 A)
&rst
ixpk= 3910, nxpk= 25, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1890,1891,
&end
#
# 99 TRP HZ2 125 ASN HB+ 5.50 (# 3911:25 Unique 3.75, 5.43 A)
&rst
ixpk= 3911, nxpk= 25, iat=1471, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1890,1891,
&end
#
# 0 AMB 25-2:3912 125 ASN HB- 5.50 (# 3912:25 Single Ambig)
&rst
ixpk= 3912, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1857,1873,
igr2=1890,1891,
&end
#
# 99 TRP HH2 126 LEU HB+ 5.50 (# 3913:25 Unique 2.21, 3.68 A)
&rst
ixpk= 3913, nxpk= 25, iat=1473, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1904,1905,
&end
#
# 93 GLN HE2- 89 GLU HB+ 5.50 (# 3914:25 Unique 2.74, 4.31 A)
&rst
ixpk= 3914, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1372,1373,
igr2=1295,1296,
&end
#
# 127 ILE HG1+ 126 LEU MDY 3.50 (# 3915:25 Unique 2.51, 5.20 A)
&rst
ixpk= 3915, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1929,1930,
igr2=1909,1910,1911,1913,1914,1915,
&end
#
# 123 VAL MGX 127 ILE HG1- 5.50 (# 3917:25 Unique 3.13, 5.64 A)
&rst
ixpk= 3917, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1861,1862,1863,1865,1866,1867,
igr2=1929,1930,
&end
#
# 126 LEU HN 127 ILE HB 5.50 (# 3922:25 Unique 4.66, 4.79 A)
&rst
ixpk= 3922, nxpk= 25, iat=1900,1923, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:3923 127 ILE HB 4.50 (# 3923:25 Single Ambig)
&rst
ixpk= 3923, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1942,1943,1944,1980,1981,
&end
#
# 127 ILE QD1 127 ILE HB 2.80 (# 3924:25 Unique 2.45, 3.12 A)
&rst
ixpk= 3924, nxpk= 25, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1932,1933,1934,
&end
#
# 30 ILE HN 29 LYS HD+ 5.50 (# 3926:25 Unique 4.43, 5.21 A)
&rst
ixpk= 3926, nxpk= 25, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 446, 447,
&end
#
# 130 ILE QD1 130 ILE HA 4.50 (# 3929:25 Unique 4.83, 5.09 A)
&rst
ixpk= 3929, nxpk= 25, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1983,1984,1985,
&end
#
# 56 ASP HN 55 ILE QD1 5.50 (# 3931:25 Unique 3.33, 4.80 A)
&rst
ixpk= 3931, nxpk= 25, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 826, 827, 828,
&end
#
# 65 ILE QD1 7 VAL HB 5.50 (# 3934:25 Unique 2.96, 4.44 A)
&rst
ixpk= 3934, nxpk= 25, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 962, 963, 964,
&end
#
# 7 VAL MGX 7 VAL HB 2.80 (# 3935:25 Unique 2.34, 2.64 A)
&rst
ixpk= 3935, nxpk= 25, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL MGY 7 VAL HB 2.80 (# 3936:25 Unique 2.34, 2.64 A)
&rst
ixpk= 3936, nxpk= 25, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 86 LEU MDX 7 VAL HB 5.50 (# 3937:25 Unique 2.61, 6.40 A)
&rst
ixpk= 3937, nxpk= 25, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1253,1254,1255,1257,1258,1259,
&end
#
# 76 VAL MGX 7 VAL HB 5.50 (# 3938:25 Unique 3.69, 6.76 A)
&rst
ixpk= 3938, nxpk= 25, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1120,1121,1122,1124,1125,1126,
&end
#
# 7 VAL HA 7 VAL HB 3.50 (# 3940:25 Unique 2.26, 2.39 A)
&rst
ixpk= 3940, nxpk= 25, iat= 120, 122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:3941 7 VAL HB 5.50 (# 3941:25 Single Ambig)
&rst
ixpk= 3941, nxpk= 25, iat= -1, 122, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1151, 83,
&end
#
# 6 PHE HN 7 VAL HB 4.50 (# 3942:25 Unique 3.58, 3.88 A)
&rst
ixpk= 3942, nxpk= 25, iat= 98, 122, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 ALA HN 1 MET HB+ 5.50 (# 3943:25 Unique 2.89, 4.95 A)
&rst
ixpk= 3943, nxpk= 25, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 8, 9,
&end
#
# 97 GLU HN 96 PHE HA 4.50 (# 3944:25 Unique 2.21, 2.33 A)
&rst
ixpk= 3944, nxpk= 25, iat=1431,1413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 PHE HD 96 PHE HA 5.50 (# 3945:25 Unique 2.29, 3.61 A)
&rst
ixpk= 3945, nxpk= 25, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1419,1427,
&end
#
# 96 PHE HB+ 96 PHE HA 5.50 (# 3946:25 Unique 2.16, 2.65 A)
&rst
ixpk= 3946, nxpk= 25, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1415,1416,
&end
#
# 82 SER HN 83 GLY HA- 5.50 (# 3947:25 Unique 4.47, 5.20 A)
&rst
ixpk= 3947, nxpk= 25, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1209,1210,
&end
#
# 82 SER HN 83 GLY HA+ 5.50 (# 3948:25 Unique 4.47, 5.20 A)
&rst
ixpk= 3948, nxpk= 25, iat=1196, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1209,1210,
&end
#
# 85 ASN HN 83 GLY HA- 4.50 (# 3949:25 Unique 3.74, 4.42 A)
&rst
ixpk= 3949, nxpk= 25, iat=1230, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 85 ASN HN 83 GLY HA+ 4.50 (# 3950:25 Unique 3.74, 4.42 A)
&rst
ixpk= 3950, nxpk= 25, iat=1230, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 86 LEU MDX 83 GLY HA- 5.50 (# 3954:25 Unique 2.61, 6.31 A)
&rst
ixpk= 3954, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1209,1210,
&end
#
# 86 LEU MDX 83 GLY HA+ 5.50 (# 3955:25 Unique 2.61, 6.31 A)
&rst
ixpk= 3955, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1209,1210,
&end
#
# 84 VAL MGY 83 GLY HA- 5.50 (# 3956:25 Unique 3.90, 5.88 A)
&rst
ixpk= 3956, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1220,1221,1222,1224,1225,1226,
igr2=1209,1210,
&end
#
# 91 VAL MGX 83 GLY HA- 5.50 (# 3957:25 Unique 2.28, 5.09 A)
&rst
ixpk= 3957, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1336,1337,1338,1340,1341,1342,
igr2=1209,1210,
&end
#
# 91 VAL MGX 83 GLY HA+ 5.50 (# 3958:25 Unique 2.28, 5.09 A)
&rst
ixpk= 3958, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1336,1337,1338,1340,1341,1342,
igr2=1209,1210,
&end
#
# 55 ILE HG1+ 54 GLY HA+ 5.50 (# 3959:25 Unique 4.23, 5.48 A)
&rst
ixpk= 3959, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 823, 824,
igr2= 808, 809,
&end
#
# 11 ASN HD2- 11 ASN HA 5.50 (# 3960:25 Unique 3.14, 4.23 A)
&rst
ixpk= 3960, nxpk= 25, iat= -1, 192, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 199, 200,
&end
#
# 50 MET HA 50 MET HG- 5.50 (# 3961:25 Unique 2.62, 3.58 A)
&rst
ixpk= 3961, nxpk= 25, iat= 745, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 750, 751,
&end
#
# 17 MET HG+ 50 MET HG- 5.50 (# 3962:25 Unique 2.17, 3.58 A)
&rst
ixpk= 3962, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 285, 286,
igr2= 750, 751,
&end
#
# 0 AMB 25-2:3963 103 ASP HA 4.50 (# 3963:25 Single Ambig)
&rst
ixpk= 3963, nxpk= 25, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1522,1523, 265, 266, 268, 269,
&end
#
# 5 MET HA 5 MET HB- 5.50 (# 3964:25 Unique 2.48, 2.78 A)
&rst
ixpk= 3964, nxpk= 25, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 85, 86,
&end
#
# 0 AMB 25-2:3967 0 AMB 25-1:3967 4.50 (# 3967:25 Double Ambig)
&rst
ixpk= 3967, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1=1140,1141,1104,1105,1106,1108,1109,1110,1253,1254,
1255,1257,1258,1259,
igr2= 85, 86, 85, 86, 85, 86,
&end
#
# 22 ALA HN 18 ALA HA 5.50 (# 3969:25 Unique 3.97, 4.21 A)
&rst
ixpk= 3969, nxpk= 25, iat= 347, 297, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 LYS HN 20 GLY HA+ 5.50 (# 3970:25 Unique 3.54, 4.32 A)
&rst
ixpk= 3970, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 322, 323,
&end
#
# 25 LEU HN 23 LYS HA 5.50 (# 3971:25 Unique 4.76, 4.96 A)
&rst
ixpk= 3971, nxpk= 25, iat= 393, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 ARG HN 121 GLU HA 4.50 (# 3972:25 Unique 3.58, 3.60 A)
&rst
ixpk= 3972, nxpk= 25, iat=1831,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:3973 128 ALA HA 4.50 (# 3973:25 Single Ambig)
&rst
ixpk= 3973, nxpk= 25, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1989,1970,
&end
#
# 68 PHE HN 65 ILE HA 5.50 (# 3975:25 Unique 3.41, 3.67 A)
&rst
ixpk= 3975, nxpk= 25, iat= 997, 951, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 ASP HN 78 SER HB+ 5.50 (# 3976:25 Unique 5.06, 6.40 A)
&rst
ixpk= 3976, nxpk= 25, iat=1446, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1153,1154,
&end
#
# 78 SER HN 78 SER HB+ 3.50 (# 3977:25 Unique 2.34, 3.08 A)
&rst
ixpk= 3977, nxpk= 25, iat=1149, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1153,1154,
&end
#
# 0 AMB 25-2:3978 0 AMB 25-1:3978 5.50 (# 3978:25 Double Ambig)
&rst
ixpk= 3978, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1207,1458,
igr2=1153,1154,1153,1154,
&end
#
# 86 LEU MDX 78 SER HB+ 5.50 (# 3980:25 Unique 3.25, 6.46 A)
&rst
ixpk= 3980, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1153,1154,
&end
#
# 44 PRO HD- 44 PRO HG+ 2.80 (# 3984:25 Unique 2.33, 2.61 A)
&rst
ixpk= 3984, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 660, 661,
igr2= 663, 664,
&end
#
# 43 HIS HB- 44 PRO HG+ 5.50 (# 3985:25 Unique 3.70, 5.67 A)
&rst
ixpk= 3985, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 646, 647,
igr2= 663, 664,
&end
#
# 43 HIS HA 44 PRO HG+ 4.50 (# 3986:25 Unique 4.43, 4.60 A)
&rst
ixpk= 3986, nxpk= 25, iat= 644, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 663, 664,
&end
#
# 112 PHE HZ 44 PRO HG+ 5.50 (# 3987:25 Unique 5.67, 6.57 A)
&rst
ixpk= 3987, nxpk= 25, iat=1668, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 663, 664,
&end
#
# 90 TRP HD1 87 PRO HB+ 4.50 (# 3990:25 Unique 2.24, 3.24 A)
&rst
ixpk= 3990, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1270,1271,
&end
#
# 86 LEU HA 87 PRO HB+ 5.50 (# 3991:25 Unique 4.84, 5.41 A)
&rst
ixpk= 3991, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1270,1271,
&end
#
# 90 TRP HE1 87 PRO HG+ 5.50 (# 3992:25 Unique 2.80, 3.93 A)
&rst
ixpk= 3992, nxpk= 25, iat=1316, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1267,1268,
&end
#
# 84 VAL HA 84 VAL MGY 3.50 (# 3993:25 Unique 2.27, 3.48 A)
&rst
ixpk= 3993, nxpk= 25, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1220,1221,1222,1224,1225,1226,
&end
#
# 86 LEU HA 84 VAL MGY 5.50 (# 3994:25 Unique 4.86, 7.52 A)
&rst
ixpk= 3994, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1220,1221,1222,1224,1225,1226,
&end
#
# 84 VAL HB 84 VAL MGY 2.80 (# 3997:25 Unique 2.36, 2.66 A)
&rst
ixpk= 3997, nxpk= 25, iat=1218, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1220,1221,1222,1224,1225,1226,
&end
#
# 86 LEU HG 84 VAL MGY 5.50 (# 3999:25 Unique 4.34, 6.83 A)
&rst
ixpk= 3999, nxpk= 25, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1220,1221,1222,1224,1225,1226,
&end
#
# 0 AMB 25-2:4000 63 ASP HA 4.50 (# 4000:25 Single Ambig)
&rst
ixpk= 4000, nxpk= 25, iat= -1, 925, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 939, 940, 939, 940,
&end
#
# 63 ASP HB+ 63 ASP HA 2.80 (# 4001:25 Unique 2.77, 2.90 A)
&rst
ixpk= 4001, nxpk= 25, iat= -1, 925, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 927, 928,
&end
#
# 64 PRO HD+ 63 ASP HA 2.80 (# 4002:25 Unique 2.27, 2.64 A)
&rst
ixpk= 4002, nxpk= 25, iat= -1, 925, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 936, 937,
&end
#
# 64 PRO HD- 63 ASP HA 2.80 (# 4003:25 Unique 2.27, 2.64 A)
&rst
ixpk= 4003, nxpk= 25, iat= -1, 925, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 936, 937,
&end
#
# 63 ASP HN 63 ASP HA 3.50 (# 4005:25 Unique 2.80, 2.89 A)
&rst
ixpk= 4005, nxpk= 25, iat= 923, 925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 GLU HN 63 ASP HB+ 5.50 (# 4008:25 Unique 5.73, 6.57 A)
&rst
ixpk= 4008, nxpk= 25, iat= 968, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 927, 928,
&end
#
# 67 ASN HD2+ 63 ASP HB+ 4.50 (# 4009:25 Unique 2.47, 4.66 A)
&rst
ixpk= 4009, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 992, 993,
igr2= 927, 928,
&end
#
# 118 GLN HE2+ 118 GLN HA 4.50 (# 4013:25 Unique 4.08, 4.81 A)
&rst
ixpk= 4013, nxpk= 25, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1773,1774,
&end
#
# 0 AMB 25-2:4023 93 GLN HA 5.50 (# 4023:25 Single Ambig)
&rst
ixpk= 4023, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1415,1416,1069,1070,
&end
#
# 0 AMB 25-2:4024 93 GLN HA 5.50 (# 4024:25 Single Ambig)
&rst
ixpk= 4024, nxpk= 25, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1392,1065,
&end
#
# 101 LEU HN 100 GLN HB- 5.50 (# 4026:25 Unique 3.26, 4.36 A)
&rst
ixpk= 4026, nxpk= 25, iat=1499, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1486,1487,
&end
#
# 100 GLN HN 100 GLN HA 5.50 (# 4027:25 Unique 2.92, 2.95 A)
&rst
ixpk= 4027, nxpk= 25, iat=1482,1484, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:4031 78 SER HB- 5.50 (# 4031:25 Single Ambig)
&rst
ixpk= 4031, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1253,1254,1255,1257,1258,1259, 124, 125, 126, 128,
129, 130,
igr2=1153,1154,
&end
#
# 86 LEU MDX 78 SER HB- 4.50 (# 4032:25 Unique 3.25, 6.46 A)
&rst
ixpk= 4032, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1153,1154,
&end
#
# 78 SER HA 78 SER HB- 3.50 (# 4037:25 Unique 2.33, 2.75 A)
&rst
ixpk= 4037, nxpk= 25, iat=1151, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1153,1154,
&end
#
# 78 SER HN 78 SER HB- 3.50 (# 4039:25 Unique 2.34, 3.08 A)
&rst
ixpk= 4039, nxpk= 25, iat=1149, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1153,1154,
&end
#
# 79 LEU HA 78 SER HB- 5.50 (# 4041:25 Unique 4.29, 5.00 A)
&rst
ixpk= 4041, nxpk= 25, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1153,1154,
&end
#
# 11 ASN HN 11 ASN HB- 3.50 (# 4054:25 Unique 2.36, 2.74 A)
&rst
ixpk= 4054, nxpk= 25, iat= 190, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 194, 195,
&end
#
# 11 ASN HD2+ 11 ASN HB- 3.50 (# 4056:25 Unique 2.22, 3.40 A)
&rst
ixpk= 4056, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 199, 200,
igr2= 194, 195,
&end
#
# 11 ASN HD2- 11 ASN HB- 5.50 (# 4057:25 Unique 2.22, 3.40 A)
&rst
ixpk= 4057, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 199, 200,
igr2= 194, 195,
&end
#
# 11 ASN HD2- 11 ASN HB+ 5.50 (# 4058:25 Unique 2.22, 3.40 A)
&rst
ixpk= 4058, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 199, 200,
igr2= 194, 195,
&end
#
# 57 ILE QG2 16 GLN HG- 4.50 (# 4064:25 Unique 4.49, 6.33 A)
&rst
ixpk= 4064, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 850, 851, 852,
igr2= 268, 269,
&end
#
# 16 GLN HB- 16 GLN HG- 3.50 (# 4065:25 Unique 2.29, 2.75 A)
&rst
ixpk= 4065, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 265, 266,
igr2= 268, 269,
&end
#
# 16 GLN HN 16 GLN HG+ 5.50 (# 4068:25 Unique 2.31, 3.94 A)
&rst
ixpk= 4068, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 268, 269,
&end
#
# 16 GLN HN 16 GLN HG- 4.50 (# 4069:25 Unique 2.31, 3.94 A)
&rst
ixpk= 4069, nxpk= 25, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 268, 269,
&end
#
# 16 GLN HN 16 GLN HA 2.80 (# 4070:25 Unique 2.15, 2.72 A)
&rst
ixpk= 4070, nxpk= 25, iat= 261, 263, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 HIS HN 16 GLN HA 5.50 (# 4071:25 Unique 5.19, 5.54 A)
&rst
ixpk= 4071, nxpk= 25, iat= 642, 263, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:4075 16 GLN HA 3.50 (# 4075:25 Single Ambig)
&rst
ixpk= 4075, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 265, 266, 268, 269,
&end
#
# 16 GLN HB- 16 GLN HA 3.50 (# 4076:25 Unique 2.23, 2.57 A)
&rst
ixpk= 4076, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 265, 266,
&end
#
# 42 VAL MGY 16 GLN HA 5.50 (# 4077:25 Unique 2.32, 4.39 A)
&rst
ixpk= 4077, nxpk= 25, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 632, 633, 634, 636, 637, 638,
&end
#
# 87 PRO HG- 87 PRO HB+ 3.50 (# 4080:25 Unique 2.36, 2.63 A)
&rst
ixpk= 4080, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1267,1268,
igr2=1270,1271,
&end
#
# 112 PHE HD 46 ALA HA 5.50 (# 4082:25 Unique 2.03, 4.22 A)
&rst
ixpk= 4082, nxpk= 25, iat= -1, 689, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1664,1672,
&end
#
# 96 PHE HN 96 PHE HA 5.50 (# 4083:25 Unique 2.90, 2.94 A)
&rst
ixpk= 4083, nxpk= 25, iat=1411,1413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 GLY HN 16 GLN HA 5.50 (# 4084:25 Unique 4.20, 5.11 A)
&rst
ixpk= 4084, nxpk= 25, iat= 320, 263, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ILE HG1- 95 ILE QD1 2.80 (# 4085:25 Unique 2.39, 2.66 A)
&rst
ixpk= 4085, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1402,1403,
igr2=1405,1406,1407,
&end
#
# 95 ILE HG1+ 95 ILE QD1 2.80 (# 4086:25 Unique 2.39, 2.66 A)
&rst
ixpk= 4086, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1402,1403,
igr2=1405,1406,1407,
&end
#
# 95 ILE HB 95 ILE QD1 2.80 (# 4087:25 Unique 2.46, 3.10 A)
&rst
ixpk= 4087, nxpk= 25, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1405,1406,1407,
&end
#
# 97 GLU HG+ 95 ILE QD1 3.50 (# 4088:25 Unique 2.31, 3.90 A)
&rst
ixpk= 4088, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1438,1439,
igr2=1405,1406,1407,
&end
#
# 126 LEU HB+ 95 ILE QD1 4.50 (# 4089:25 Unique 4.40, 5.90 A)
&rst
ixpk= 4089, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1904,1905,
igr2=1405,1406,1407,
&end
#
# 129 LYS HE+ 95 ILE QD1 4.50 (# 4091:25 Unique 2.42, 4.93 A)
&rst
ixpk= 4091, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1961,1962,
igr2=1405,1406,1407,
&end
#
# 95 ILE HA 95 ILE QD1 4.50 (# 4092:25 Unique 4.02, 4.57 A)
&rst
ixpk= 4092, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1405,1406,1407,
&end
#
# 0 AMB 25-2:4093 95 ILE QD1 4.50 (# 4093:25 Single Ambig)
&rst
ixpk= 4093, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1972,1100,
igr2=1405,1406,1407,
&end
#
# 126 LEU HN 95 ILE QD1 5.50 (# 4094:25 Unique 6.18, 6.82 A)
&rst
ixpk= 4094, nxpk= 25, iat=1900, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1405,1406,1407,
&end
#
# 96 PHE HN 95 ILE QD1 5.50 (# 4095:25 Unique 4.52, 5.00 A)
&rst
ixpk= 4095, nxpk= 25, iat=1411, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1405,1406,1407,
&end
#
# 95 ILE HN 95 ILE QD1 5.50 (# 4096:25 Unique 5.53, 5.97 A)
&rst
ixpk= 4096, nxpk= 25, iat=1392, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1405,1406,1407,
&end
#
# 0 AMB 25-2:4097 95 ILE QD1 5.50 (# 4097:25 Single Ambig)
&rst
ixpk= 4097, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1970,1431,
igr2=1405,1406,1407,
&end
#
# 39 SER HB+ 11 ASN HB+ 4.50 (# 4098:25 Unique 2.20, 4.18 A)
&rst
ixpk= 4098, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 584, 585,
igr2= 194, 195,
&end
#
# 98 ASP HN 77 ILE QG2 5.50 (# 4100:25 Unique 3.74, 5.08 A)
&rst
ixpk= 4100, nxpk= 25, iat=1446, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1136,1137,1138,
&end
#
# 120 LYS HB+ 120 LYS HE- 5.50 (# 4102:25 Unique 4.29, 4.59 A)
&rst
ixpk= 4102, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1798,1799,
igr2=1807,1808,
&end
#
# 23 LYS HN 23 LYS HD- 5.50 (# 4128:25 Unique 2.16, 4.60 A)
&rst
ixpk= 4128, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 367, 368,
&end
#
# 23 LYS HN 23 LYS HD+ 5.50 (# 4129:25 Unique 2.16, 4.60 A)
&rst
ixpk= 4129, nxpk= 25, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 367, 368,
&end
#
# 60 GLN HE2- 60 GLN HG+ 5.50 (# 4132:25 Unique 2.22, 3.47 A)
&rst
ixpk= 4132, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 893, 894,
igr2= 888, 889,
&end
#
# 70 ALA HA 69 ASN HB+ 4.50 (# 4135:25 Unique 4.73, 5.38 A)
&rst
ixpk= 4135, nxpk= 25, iat=1033, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1021,1022,
&end
#
# 71 ASP HB+ 69 ASN HB+ 3.50 (# 4136:25 Unique 3.51, 4.73 A)
&rst
ixpk= 4136, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1045,1046,
igr2=1021,1022,
&end
#
# 90 TRP HN 89 GLU HA 3.50 (# 4137:25 Unique 3.36, 3.45 A)
&rst
ixpk= 4137, nxpk= 25, iat=1306,1293, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 25-2:4141 0 AMB 25-1:4141 5.50 (# 4141:25 Double Ambig)
&rst
ixpk= 4141, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 379, 893, 894,
igr2= 367, 368, 367, 368,
&end
#
# 91 VAL HA 96 PHE HB- 4.50 (# 4142:25 Unique 2.96, 4.10 A)
&rst
ixpk= 4142, nxpk= 25, iat=1332, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1415,1416,
&end
#
# 127 ILE HA 30 ILE QG2 5.50 (# 4143:25 Unique 4.73, 5.59 A)
&rst
ixpk= 4143, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 464, 465, 466,
&end
#
# 42 VAL MGY 16 GLN HG+ 5.50 (# 4145:25 Unique 2.48, 5.87 A)
&rst
ixpk= 4145, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 632, 633, 634, 636, 637, 638,
igr2= 268, 269,
&end
#
# 42 VAL MGY 16 GLN HG- 5.50 (# 4146:25 Unique 2.48, 5.87 A)
&rst
ixpk= 4146, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 632, 633, 634, 636, 637, 638,
igr2= 268, 269,
&end
#
# 121 GLU HG+ 125 ASN HB+ 4.50 (# 4147:25 Unique 3.83, 5.04 A)
&rst
ixpk= 4147, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1823,1824,
igr2=1890,1891,
&end
#
# 0 AMB 25-2:4148 0 AMB 25-1:4148 5.50 (# 4148:25 Double Ambig)
&rst
ixpk= 4148, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 750, 751,1563,1564,
igr2= 282, 283,1585,1586,
&end
#
# 103 ASP HB+ 16 GLN HG+ 5.50 (# 4155:25 Unique 5.21, 7.10 A)
&rst
ixpk= 4155, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1537,1538,
igr2= 268, 269,
&end
#
# 0 AMB 25-2:4167 116 ARG HD- 5.50 (# 4167:25 Single Ambig)
&rst
ixpk= 4167, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 743, 813,
igr2=1740,1741,
&end
#
# 127 ILE HA 29 LYS HD+ 5.50 (# 4168:25 Unique 5.05, 5.84 A)
&rst
ixpk= 4168, nxpk= 25, iat=1921, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 446, 447,
&end
#
# 36 GLY HN 7 VAL MGY 5.50 (# 4169:25 Unique 2.68, 6.98 A)
&rst
ixpk= 4169, nxpk= 25, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 37 LEU HN 7 VAL MGX 5.50 (# 4170:25 Unique 4.02, 6.88 A)
&rst
ixpk= 4170, nxpk= 25, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 124, 125, 126, 128, 129, 130,
&end
#
# 7 VAL HN 7 VAL HB 5.50 (# 4171:25 Unique 2.26, 3.33 A)
&rst
ixpk= 4171, nxpk= 25, iat= 118, 122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 ARG HA 14 ARG HB- 2.80 (# 4172:25 Unique 2.36, 2.78 A)
&rst
ixpk= 4172, nxpk= 25, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 230, 231,
&end
#
# 14 ARG HG+ 14 ARG HB- 3.50 (# 4175:25 Unique 2.25, 2.71 A)
&rst
ixpk= 4175, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 233, 234,
igr2= 230, 231,
&end
#
# 53 VAL MGX 50 MET HA 4.50 (# 4187:25 Unique 2.24, 4.32 A)
&rst
ixpk= 4187, nxpk= 25, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 796, 797, 798, 800, 801, 802,
&end
#
# 43 HIS HA 46 ALA MB 5.50 (# 4188:25 Unique 4.65, 5.54 A)
&rst
ixpk= 4188, nxpk= 25, iat= 644, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 691, 692, 693,
&end
#
# 76 VAL MGX 6 PHE HA 4.50 (# 4190:25 Unique 4.61, 6.57 A)
&rst
ixpk= 4190, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1120,1121,1122,1124,1125,1126,
&end
#
# 6 PHE HD 6 PHE HA 4.50 (# 4194:25 Unique 3.14, 3.67 A)
&rst
ixpk= 4194, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 106, 114,
&end
#
# 91 VAL MGY 92 THR MG2 3.50 (# 4205:25 Unique 2.35, 6.07 A)
&rst
ixpk= 4205, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1336,1337,1338,1340,1341,1342,
igr2=1352,1353,1354,
&end
#
# 88 PRO HB- 92 THR MG2 4.50 (# 4206:25 Unique 3.22, 4.76 A)
&rst
ixpk= 4206, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1284,1285,
igr2=1352,1353,1354,
&end
#
# 88 PRO HB+ 92 THR MG2 3.50 (# 4207:25 Unique 3.22, 4.76 A)
&rst
ixpk= 4207, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1284,1285,
igr2=1352,1353,1354,
&end
#
# 90 TRP HB+ 92 THR MG2 5.50 (# 4208:25 Unique 6.36, 7.81 A)
&rst
ixpk= 4208, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1310,1311,
igr2=1352,1353,1354,
&end
#
# 93 GLN HE2+ 92 THR MG2 5.50 (# 4209:25 Unique 3.86, 6.52 A)
&rst
ixpk= 4209, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1372,1373,
igr2=1352,1353,1354,
&end
#
# 93 GLN HE2- 92 THR MG2 5.50 (# 4210:25 Unique 3.86, 6.52 A)
&rst
ixpk= 4210, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1372,1373,
igr2=1352,1353,1354,
&end
#
# 93 GLN HN 92 THR MG2 5.50 (# 4211:25 Unique 4.19, 5.08 A)
&rst
ixpk= 4211, nxpk= 25, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1352,1353,1354,
&end
#
# 90 TRP HH2 5 MET ME 3.50 (# 4212:25 Unique 2.45, 3.12 A)
&rst
ixpk= 4212, nxpk= 25, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 92, 93, 94,
&end
#
# 76 VAL MGX 5 MET ME 3.50 (# 4213:25 Unique 4.17, 6.41 A)
&rst
ixpk= 4213, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1120,1121,1122,1124,1125,1126,
igr2= 92, 93, 94,
&end
#
# 5 MET HG+ 5 MET ME 4.50 (# 4214:25 Unique 2.43, 3.23 A)
&rst
ixpk= 4214, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 88, 89,
igr2= 92, 93, 94,
&end
#
# 0 AMB 25-2:4215 5 MET ME 5.50 (# 4215:25 Single Ambig)
&rst
ixpk= 4215, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1057,1058,1118,
igr2= 92, 93, 94,
&end
#
# 0 AMB 25-2:4216 5 MET ME 5.50 (# 4216:25 Single Ambig)
&rst
ixpk= 4216, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 85, 86, 927, 928,
igr2= 92, 93, 94,
&end
#
# 33 THR HB 5 MET ME 4.50 (# 4217:25 Unique 2.34, 3.62 A)
&rst
ixpk= 4217, nxpk= 25, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 92, 93, 94,
&end
#
# 65 ILE HA 5 MET ME 5.50 (# 4218:25 Unique 3.93, 5.10 A)
&rst
ixpk= 4218, nxpk= 25, iat= 951, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 92, 93, 94,
&end
#
# 33 THR HA 5 MET ME 5.50 (# 4219:25 Unique 4.99, 6.32 A)
&rst
ixpk= 4219, nxpk= 25, iat= 505, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 92, 93, 94,
&end
#
# 35 SER HA 5 MET ME 5.50 (# 4221:25 Unique 4.51, 5.90 A)
&rst
ixpk= 4221, nxpk= 25, iat= 530, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 92, 93, 94,
&end
#
# 35 SER HN 5 MET ME 4.50 (# 4222:25 Unique 2.79, 4.04 A)
&rst
ixpk= 4222, nxpk= 25, iat= 528, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 92, 93, 94,
&end
#
# 90 TRP HE3 5 MET ME 5.50 (# 4223:25 Unique 3.85, 4.98 A)
&rst
ixpk= 4223, nxpk= 25, iat=1325, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 92, 93, 94,
&end
#
# 17 MET HN 17 MET ME 5.50 (# 4224:25 Unique 3.59, 5.55 A)
&rst
ixpk= 4224, nxpk= 25, iat= 278, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 289, 290, 291,
&end
#
# 84 VAL HN 84 VAL HA 4.50 (# 4225:25 Unique 2.86, 2.92 A)
&rst
ixpk= 4225, nxpk= 25, iat=1214,1216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 SER HN 84 VAL HA 5.50 (# 4226:25 Unique 3.98, 5.01 A)
&rst
ixpk= 4226, nxpk= 25, iat=1196,1216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 ASN HN 84 VAL HA 5.50 (# 4227:25 Unique 2.27, 2.43 A)
&rst
ixpk= 4227, nxpk= 25, iat=1230,1216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 VAL HB 84 VAL HA 2.80 (# 4230:25 Unique 2.36, 2.50 A)
&rst
ixpk= 4230, nxpk= 25, iat=1218,1216, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 85 ASN HB- 84 VAL HA 5.50 (# 4234:25 Unique 4.26, 4.60 A)
&rst
ixpk= 4234, nxpk= 25, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1234,1235,
&end
#
# 44 PRO HD+ 44 PRO HB+ 4.50 (# 4238:25 Unique 2.65, 3.65 A)
&rst
ixpk= 4238, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 660, 661,
igr2= 666, 667,
&end
#
# 45 THR MG2 44 PRO HB+ 5.50 (# 4240:25 Unique 4.68, 7.16 A)
&rst
ixpk= 4240, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 679, 680, 681,
igr2= 666, 667,
&end
#
# 0 AMB 25-2:4241 5 MET ME 5.50 (# 4241:25 Single Ambig)
&rst
ixpk= 4241, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1069,1070, 85, 86,
igr2= 92, 93, 94,
&end
#
# 45 THR HN 45 THR HA 5.50 (# 4242:25 Unique 2.24, 2.76 A)
&rst
ixpk= 4242, nxpk= 25, iat= 673, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 SER HN 57 ILE QG2 5.50 (# 4244:25 Unique 4.75, 5.37 A)
&rst
ixpk= 4244, nxpk= 25, iat= 863, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 850, 851, 852,
&end
#
# 55 ILE HA 57 ILE QG2 5.50 (# 4246:25 Unique 4.68, 5.87 A)
&rst
ixpk= 4246, nxpk= 25, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 850, 851, 852,
&end
#
# 57 ILE HG1- 57 ILE QG2 2.80 (# 4248:25 Unique 2.41, 3.54 A)
&rst
ixpk= 4248, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 854, 855,
igr2= 850, 851, 852,
&end
#
# 35 SER HA 33 THR MG2 4.50 (# 4250:25 Unique 3.44, 4.90 A)
&rst
ixpk= 4250, nxpk= 25, iat= 530, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 509, 510, 511,
&end
#
# 43 HIS HB+ 44 PRO HG+ 5.50 (# 4251:25 Unique 3.70, 5.67 A)
&rst
ixpk= 4251, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 646, 647,
igr2= 663, 664,
&end
#
# 55 ILE QG2 57 ILE HA 5.50 (# 4252:25 Unique 4.15, 5.02 A)
&rst
ixpk= 4252, nxpk= 25, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 819, 820, 821,
&end
#
# 88 PRO HA 88 PRO HD+ 4.50 (# 4254:25 Unique 3.43, 3.76 A)
&rst
ixpk= 4254, nxpk= 25, iat=1287, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1278,1279,
&end
#
# 0 AMB 25-2:4255 0 AMB 25-1:4255 5.50 (# 4255:25 Double Ambig)
&rst
ixpk= 4255, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 743,1098,
igr2= 703, 704, 705,1976,1977,1978,
&end
#
# 77 ILE HB 79 LEU HG 4.50 (# 4267:25 Unique 3.42, 4.16 A)
&rst
ixpk= 4267, nxpk= 25, iat=1134,1167, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:4268 17 MET HG- 5.50 (# 4268:25 Single Ambig)
&rst
ixpk= 4268, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 265, 266,1784,1785,1786,1788,1789,1790,1549,1550,
igr2= 285, 286,
&end
#
# 101 LEU HG 122 ARG HD+ 4.50 (# 4269:25 Unique 4.22, 5.41 A)
&rst
ixpk= 4269, nxpk= 25, iat=1506, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1841,1842,
&end
#
# 18 ALA HA 21 PHE HB- 5.50 (# 4270:25 Unique 2.80, 4.01 A)
&rst
ixpk= 4270, nxpk= 25, iat= 297, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 331, 332,
&end
#
# 26 GLY HA- 30 ILE QD1 3.50 (# 4271:25 Unique 2.33, 3.85 A)
&rst
ixpk= 4271, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 414, 415,
igr2= 471, 472, 473,
&end
#
# 8 CYS HN 79 LEU HG 5.50 (# 4275:25 Unique 5.14, 5.52 A)
&rst
ixpk= 4275, nxpk= 25, iat= 134,1167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ALA HN 123 VAL MGX 5.50 (# 4292:25 Unique 4.01, 6.75 A)
&rst
ixpk= 4292, nxpk= 25, iat= 295, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1861,1862,1863,1865,1866,1867,
&end
#
# 6 PHE HN 34 SER HA 5.50 (# 4293:25 Unique 2.11, 2.53 A)
&rst
ixpk= 4293, nxpk= 25, iat= 98, 519, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 SER HN 98 ASP HA 4.50 (# 4294:25 Unique 2.77, 3.37 A)
&rst
ixpk= 4294, nxpk= 25, iat=1149,1448, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 25-2:4297 101 LEU MDX 5.50 (# 4297:25 Single Ambig)
&rst
ixpk= 4297, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1778,1458,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 25-2:4298 48 ALA MB 5.50 (# 4298:25 Single Ambig)
&rst
ixpk= 4298, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 673, 743,
igr2= 720, 721, 722,
&end
#
# 51 GLU HN 49 MET HA 5.50 (# 4300:25 Unique 4.42, 4.58 A)
&rst
ixpk= 4300, nxpk= 25, iat= 760, 728, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 ALA MB 51 GLU HB- 4.50 (# 1666:25 Double Ambig)
&rst
ixpk= 1666, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 720, 721, 722,
igr2= 764, 765,
&end
#
# 68 PHE HE 33 THR MG2 3.50 (# 255:25 Double Ambig)
&rst
ixpk= 255, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1007,1011,
igr2= 509, 510, 511,
&end
#
# 48 ALA HA 51 GLU HB- 2.80 (# 406:25 Double Ambig)
&rst
ixpk= 406, nxpk= 25, iat= 718, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 764, 765,
&end
#
# 55 ILE HG1- 55 ILE HA 3.50 (# 541:25 Double Ambig)
&rst
ixpk= 541, nxpk= 25, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 823, 824,
&end
#
# 111 VAL MGY 110 GLU HB+ 3.50 (# 632:25 Unique 2.47, 5.06 A)
&rst
ixpk= 632, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1629,1630,
&end
#
# 41 ARG HD+ 41 ARG HG- 3.50 (# 660:25 Double Ambig)
&rst
ixpk= 660, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 612, 613,
igr2= 609, 610,
&end
#
# 41 ARG HD+ 41 ARG HG+ 3.50 (# 661:25 Double Ambig)
&rst
ixpk= 661, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 612, 613,
igr2= 609, 610,
&end
#
# 95 ILE HA 96 PHE HB+ 5.50 (# 784:25 Double Ambig)
&rst
ixpk= 784, nxpk= 25, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1415,1416,
&end
#
# 25 LEU HA 25 LEU HG 3.50 (# 1088:25 Double Ambig)
&rst
ixpk= 1088, nxpk= 25, iat= 395, 400, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 PHE HD 25 LEU MDX 4.50 (# 1099:25 Double Ambig)
&rst
ixpk= 1099, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 335, 343,
igr2= 402, 403, 404, 406, 407, 408,
&end
#
# 29 LYS HN 26 GLY HA+ 5.50 (# 1125:25 Double Ambig)
&rst
ixpk= 1125, nxpk= 25, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 414, 415,
&end
#
# 29 LYS HG+ 27 ALA HA 5.50 (# 1133:25 Double Ambig)
&rst
ixpk= 1133, nxpk= 25, iat= -1, 421, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 443, 444,
&end
#
# 38 GLU HN 38 GLU HB+ 3.50 (# 1374:25 Single Ambig)
&rst
ixpk= 1374, nxpk= 25, iat= 565, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 569, 570,
&end
#
# 38 GLU HN 38 GLU HG+ 3.50 (# 1378:25 Double Ambig)
&rst
ixpk= 1378, nxpk= 25, iat= 565, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 572, 573,
&end
#
# 67 ASN HN 66 GLU HG- 3.50 (# 1382:25 Double Ambig)
&rst
ixpk= 1382, nxpk= 25, iat= 983, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 975, 976,
&end
#
# 15 SER HN 14 ARG HB+ 4.50 (# 1393:25 Double Ambig)
&rst
ixpk= 1393, nxpk= 25, iat= 250, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 230, 231,
&end
#
# 51 GLU HA 51 GLU HB- 2.80 (# 1668:25 Double Ambig)
&rst
ixpk= 1668, nxpk= 25, iat= 762, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 764, 765,
&end
#
# 54 GLY HN 51 GLU HB- 5.50 (# 1671:25 Double Ambig)
&rst
ixpk= 1671, nxpk= 25, iat= 806, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 764, 765,
&end
#
# 57 ILE QG2 55 ILE HA 5.50 (# 1735:25 Single Ambig)
&rst
ixpk= 1735, nxpk= 25, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 850, 851, 852,
&end
#
# 55 ILE HN 55 ILE QD1 4.50 (# 1762:25 Double Ambig)
&rst
ixpk= 1762, nxpk= 25, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 826, 827, 828,
&end
#
# 75 VAL HN 73 TYR HB+ 4.50 (# 1980:25 Double Ambig)
&rst
ixpk= 1980, nxpk= 25, iat=1098, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1069,1070,
&end
#
# 76 VAL MGY 73 TYR HB+ 3.50 (# 1985:25 Unique 1.83, 4.23 A)
&rst
ixpk= 1985, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1120,1121,1122,1124,1125,1126,
igr2=1069,1070,
&end
#
# 93 GLN HN 93 GLN HG+ 3.50 (# 2347:25 Double Ambig)
&rst
ixpk= 2347, nxpk= 25, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1367,1368,
&end
#
# 55 ILE QD1 25 LEU HG 5.50 (# 2475:25 Double Ambig)
&rst
ixpk= 2475, nxpk= 25, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 826, 827, 828,
&end
#
# 0 AMB 25-2:2530 102 GLU HA 2.80 (# 2530:25 Double Ambig)
&rst
ixpk= 2530, nxpk= 25, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1525,1526,1525,1526,
&end
#
# 102 GLU HA 102 GLU HB- 2.80 (# 2532:25 Double Ambig)
&rst
ixpk= 2532, nxpk= 25, iat=1520, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1522,1523,
&end
#
# 107 GLN HE2- 107 GLN HG- 3.50 (# 2642:25 Double Ambig)
&rst
ixpk= 2642, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1590,1591,
igr2=1585,1586,
&end
#
# 109 LEU HB- 109 LEU MDY 3.50 (# 2691:25 Double Ambig)
&rst
ixpk= 2691, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1610,1611,
igr2=1615,1616,1617,1619,1620,1621,
&end
#
# 113 ARG HD- 110 GLU HB+ 5.50 (# 2697:25 Double Ambig)
&rst
ixpk= 2697, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1686,1687,
igr2=1629,1630,
&end
#
# 0 AMB 25-2:2766 0 AMB 25-1:2766 5.50 (# 2766:25 Double Ambig)
&rst
ixpk= 2766, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1890,1891,1807,1808,
igr2=1875,1876,1820,1821,
&end
#
# 113 ARG HA 113 ARG HG- 3.50 (# 2773:25 Double Ambig)
&rst
ixpk= 2773, nxpk= 25, iat=1678, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1683,1684,
&end
#
# 0 AMB 25-2:2927 0 AMB 25-1:2927 3.50 (# 2927:25 Double Ambig)
&rst
ixpk= 2927, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1508,1509,1510,1512,1513,1514,1220,1221,1222,1224,
1225,1226,1720,1721,1722,1724,1725,1726,1720,1721,
1722,1724,1725,1726,
igr2=1763,1181,
&end
#
# 0 AMB 25-2:2982 119 VAL MGX 4.50 (# 2982:25 Double Ambig)
&rst
ixpk= 2982, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1794,1499,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 22 ALA HN 119 VAL MGX 5.50 (# 2986:25 Single Ambig)
&rst
ixpk= 2986, nxpk= 25, iat= 347, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 121 GLU HA 121 GLU HB- 2.80 (# 3070:25 Single Ambig)
&rst
ixpk= 3070, nxpk= 25, iat=1818, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1820,1821,
&end
#
# 120 LYS HB- 121 GLU HB- 3.50 (# 3072:25 Unique 2.22, 2.64 A)
&rst
ixpk= 3072, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1798,1799,
igr2=1820,1821,
&end
#
# 0 AMB 25-2:3203 30 ILE HG1+ 5.50 (# 3203:25 Double Ambig)
&rst
ixpk= 3203, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 11, 12, 11, 12,
igr2= 468, 469,
&end
#
# 39 SER HN 38 GLU HG+ 5.50 (# 3629:25 Double Ambig)
&rst
ixpk= 3629, nxpk= 25, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 572, 573,
&end
#
# 42 VAL MGY 41 ARG HG+ 3.50 (# 3641:25 Double Ambig)
&rst
ixpk= 3641, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 632, 633, 634, 636, 637, 638,
igr2= 609, 610,
&end
#
# 42 VAL MGY 41 ARG HG- 2.80 (# 3642:25 Double Ambig)
&rst
ixpk= 3642, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 632, 633, 634, 636, 637, 638,
igr2= 609, 610,
&end
#
# 47 ILE HA 48 ALA HA 5.50 (# 3661:25 Double Ambig)
&rst
ixpk= 3661, nxpk= 25, iat= 699, 718, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 TRP HE3 76 VAL HB 5.50 (# 3728:25 Double Ambig)
&rst
ixpk= 3728, nxpk= 25, iat=1325,1118, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ALA HN 119 VAL MGX 4.50 (# 3891:25 Double Ambig)
&rst
ixpk= 3891, nxpk= 25, iat= 295, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 25-2:4192 6 PHE HA 5.50 (# 4192:25 Double Ambig)
&rst
ixpk= 4192, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 309, 310,1435,1436,
&end
#
# 121 GLU HN 121 GLU HG- 4.50 (# 1384:25 Double Ambig)
&rst
ixpk= 1384, nxpk= 25, iat=1816, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1823,1824,
&end
#
# 20 GLY HA+ 53 VAL MGX 5.50 (# 1719:25 Single Ambig)
&rst
ixpk= 1719, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 322, 323,
igr2= 796, 797, 798, 800, 801, 802,
&end
#
# 53 VAL MGX 20 GLY HA+ 5.50 (# 3574:25 Double Ambig)
&rst
ixpk= 3574, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 796, 797, 798, 800, 801, 802,
igr2= 322, 323,
&end
#
# 0 AMB 25-2:4191 6 PHE HA 4.50 (# 4191:25 Double Ambig)
&rst
ixpk= 4191, nxpk= 25, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 122, 233, 234,
&end
#
# 0 AMB 25-2:4296 87 PRO HA 4.50 (# 4296:25 Double Ambig)
&rst
ixpk= 4296, nxpk= 25, iat= -1,1273, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1251,1295,1296,
&end
#
# 33 THR HN 33 THR HG2 4.50 (# 1269:25 Unique 2.00, 4.61 A)
&rst
ixpk= 1269, nxpk= 25, iat= 503, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 509, 510, 511,
&end
#
# 92 THR HN 88 PRO HA 4.50 (# 4301:25 Unique 3.40, 3.54 A)
&rst
ixpk= 4301, nxpk= 25, iat=1346,1287, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL HN 89 GLU HA 4.50 (# 4302:25 Single Ambig)
&rst
ixpk= 4302, nxpk= 25, iat=1330,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL HN 90 TRP HA 3.50 (# 4303:25 Single Ambig)
&rst
ixpk= 4303, nxpk= 25, iat=1330,1308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 THR HN 90 TRP HA 4.50 (# 4304:25 Single Ambig)
&rst
ixpk= 4304, nxpk= 25, iat=1346,1308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 SER HN 35 SER HA 4.50 (# 4306:25 Single Ambig)
&rst
ixpk= 4306, nxpk= 25, iat= 528, 530, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 ILE HN 46 ALA HA 3.50 (# 4307:25 Unique 2.77, 2.86 A)
&rst
ixpk= 4307, nxpk= 25, iat= 697, 689, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HN 46 ALA HA 4.50 (# 4308:25 Unique 2.77, 2.86 A)
&rst
ixpk= 4308, nxpk= 25, iat= 716, 689, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 MET HN 46 ALA HA 5.50 (# 4309:25 Unique 2.77, 2.86 A)
&rst
ixpk= 4309, nxpk= 25, iat= 743, 689, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 ALA HN 47 ILE HA 3.50 (# 4310:25 Unique 2.77, 2.86 A)
&rst
ixpk= 4310, nxpk= 25, iat= 716, 699, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HN 48 ALA HA 2.80 (# 4311:25 Unique 2.77, 2.86 A)
&rst
ixpk= 4311, nxpk= 25, iat= 716, 718, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 50 MET HN 48 ALA HA 5.50 (# 4312:25 Single Ambig)
&rst
ixpk= 4312, nxpk= 25, iat= 743, 718, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 GLU HN 48 ALA HA 3.50 (# 4313:25 Double Ambig)
&rst
ixpk= 4313, nxpk= 25, iat= 760, 718, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 GLY HN 51 GLU HA 3.50 (# 4314:25 Unique 3.51, 3.53 A)
&rst
ixpk= 4314, nxpk= 25, iat= 806, 762, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 ILE HN 46 ALA MB 3.50 (# 4315:25 Unique 2.45, 3.36 A)
&rst
ixpk= 4315, nxpk= 25, iat= 697, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 691, 692, 693,
&end
#
# 51 GLU HN 50 MET HB+ 4.50 (# 4316:25 Unique 2.96, 3.68 A)
&rst
ixpk= 4316, nxpk= 25, iat= 760, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 747, 748,
&end
#
# 51 GLU HN 50 MET HB- 4.50 (# 4317:25 Unique 2.96, 3.68 A)
&rst
ixpk= 4317, nxpk= 25, iat= 760, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 747, 748,
&end
#
# 73 TYR HN 72 ASP HA 3.50 (# 4318:25 Single Ambig)
&rst
ixpk= 4318, nxpk= 25, iat=1065,1055, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 THR HN 89 GLU HA 4.50 (# 2220:25 Single Ambig)
&rst
ixpk= 2220, nxpk= 25, iat=1346,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 ALA HN 71 ASP HA 4.50 (# 4299:25 Double Ambig)
&rst
ixpk= 4299, nxpk= 25, iat=1031,1043, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 ASP HN 72 ASP HA 2.80 (# 89:25 Single Ambig)
&rst
ixpk= 89, nxpk= 25, iat=1053,1055, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 ASP HN 70 ALA MB 3.50 (# 1952:25 2.82 3.72)
&rst
ixpk= 1952, nxpk= 25, iat=1041, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1035,1036,1037,
&end
#
# 72 ASP HN 72 ASP HB+ 2.80 (# 130:25 2.45 2.55)
&rst
ixpk= 130, nxpk= 25, iat=1053, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1057,1058,
&end
#
# 72 ASP HN 72 ASP HB- 3.50 (# 131:25 2.45 2.55)
&rst
ixpk= 131, nxpk= 25, iat=1053, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1057,1058,
&end
#
# 46 ALA HN 46 ALA HA 3.50 (# 84:25 2.78 2.84)
&rst
ixpk= 84, nxpk= 25, iat= 687, 689, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 PHE HZ 119 VAL MGX 5.50 (# 253:25 4.19 7.10)
&rst
ixpk= 253, nxpk= 25, iat= 339, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1784,1785,1786,1788,1789,1790,
&end
#
# 90 TRP HE3 70 ALA MB 3.50 (# 4319:25 3.12 4.00)
&rst
ixpk= 4319, nxpk= 25, iat=1325, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1035,1036,1037,
&end
#
# 73 TYR HN 72 ASP HB+ 3.50 (# 4320:25 0.00 0.00)
&rst
ixpk= 4320, nxpk= 25, iat=1065, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1057,1058,
&end
#
# 73 TYR HN 72 ASP HB- 2.80 (# 4321:25 0.00 0.00 )
&rst
ixpk= 4321, nxpk= 25, iat=1065, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1057,1058,
&end
#
# 73 TYR HN 71 ASP HA 4.50 (# 4322:25 0.00 0.00)
&rst
ixpk= 4322, nxpk= 25, iat=1065,1043, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 ARG HE 80 CYS HA 5.50 (# 4323:25 0.00 0.00)
&rst
ixpk= 4323, nxpk= 25, iat= 239,1181, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 ARG HA 14 ARG HG+ 3.50 (# 4330:25 Unique 2.28, 2.69 A)
&rst
ixpk= 4330, nxpk= 25, iat= 228, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 233, 234,
&end
#
# 34 SER HB+ 34 SER HA 2.80 (# 4331:25 Unique 2.32, 2.70 A)
&rst
ixpk= 4331, nxpk= 25, iat= -1, 519, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 521, 522,
&end
#
# 33 THR HB 34 SER HA 4.50 (# 4332:25 Unique 2.32, 2.70 A)
&rst
ixpk= 4332, nxpk= 25, iat= 507, 519, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 SER HN 34 SER HB+ 4.50 (# 1282:25 Double Ambig)
&rst
ixpk= 1282, nxpk= 25, iat= 528, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 521, 522,
&end
#
# 35 SER HN 34 SER HB- 4.50 (# 1283:25 Single Ambig)
&rst
ixpk= 1283, nxpk= 25, iat= 528, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 521, 522,
&end
#
# 5 MET ME 35 SER HB+ 3.50 (# 4335:25 Double Ambig)
&rst
ixpk= 4335, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 92, 93, 94,
igr2= 532, 533,
&end
#
# 5 MET ME 35 SER HB- 3.50 (# 4336:25 Single Ambig)
&rst
ixpk= 4336, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 92, 93, 94,
igr2= 532, 533,
&end
#
# 37 LEU HB+ 36 GLY HA- 5.50 (# 4337:25 Unique 4.34, 5.37 A)
&rst
ixpk= 4337, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 550, 551,
igr2= 541, 542,
&end
#
# 37 LEU HN 37 LEU HA 2.80 (# 4338:25 Unique 2.25, 2.89 A)
&rst
ixpk= 4338, nxpk= 25, iat= 546, 548, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 LEU MDY 37 LEU HA 2.80 (# 4339:25 Unique 2.07, 3.88 A)
&rst
ixpk= 4339, nxpk= 25, iat= -1, 548, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 37 LEU HB- 37 LEU HA 2.80 (# 4340:25 Unique 2.45, 2.81 A)
&rst
ixpk= 4340, nxpk= 25, iat= -1, 548, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 550, 551,
&end
#
# 37 LEU HG 37 LEU HA 3.50 (# 4341:25 Unique 2.27, 2.86 A)
&rst
ixpk= 4341, nxpk= 25, iat= 553, 548, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 GLU HN 37 LEU HA 3.50 (# 4342:25 Unique 2.27, 2.86 A)
&rst
ixpk= 4342, nxpk= 25, iat= 565, 548, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 GLY HN 37 LEU HA 5.50 (# 4343:25 Unique 2.27, 2.86 A)
&rst
ixpk= 4343, nxpk= 25, iat= 539, 548, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 GLU HN 37 LEU HB- 5.50 (# 4344:25 Unique 1.81, 3.31 A)
&rst
ixpk= 4344, nxpk= 25, iat= 565, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 550, 551,
&end
#
# 36 GLY HN 37 LEU HB- 5.50 (# 4345:25 Unique 1.81, 3.31 A)
&rst
ixpk= 4345, nxpk= 25, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 550, 551,
&end
#
# 36 GLY HN 37 LEU HB+ 5.50 (# 4346:25 Unique 1.81, 3.31 A)
&rst
ixpk= 4346, nxpk= 25, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 550, 551,
&end
#
# 37 LEU MDX 37 LEU HG 2.80 (# 4347:25 Unique 2.36, 2.67 A)
&rst
ixpk= 4347, nxpk= 25, iat= -1, 553, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 38 GLU HN 37 LEU HG 4.50 (# 4348:25 Unique 2.36, 2.67 A)
&rst
ixpk= 4348, nxpk= 25, iat= 565, 553, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 GLY HN 37 LEU HG 4.50 (# 4349:25 Unique 2.36, 2.67 A)
&rst
ixpk= 4349, nxpk= 25, iat= 539, 553, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 LEU HA 37 LEU MDX 2.80 (# 420:25 Single Ambig)
&rst
ixpk= 420, nxpk= 25, iat= 548, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 86 LEU HA 37 LEU MDX 3.50 (# 4350:25 Single Ambig)
&rst
ixpk= 4350, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 37 LEU HG 37 LEU MDX 2.80 (# 1336:25 Single Ambig)
&rst
ixpk= 1336, nxpk= 25, iat= 553, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 86 LEU HG 37 LEU MDX 2.80 (# 4351:25 Single Ambig)
&rst
ixpk= 4351, nxpk= 25, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 37 LEU MDX 86 LEU HG 2.80 (# 4419:25 Single Ambig)
&rst
ixpk= 4419, nxpk= 25, iat= -1,1251, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 86 LEU HB- 37 LEU MDX 3.50 (# 4352:25 Single Ambig)
&rst
ixpk= 4352, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1248,1249,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 87 PRO HD+ 37 LEU MDX 5.50 (# 4353:25 Single Ambig)
&rst
ixpk= 4353, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1264,1265,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 87 PRO HD- 37 LEU MDX 5.50 (# 4354:25 Single Ambig)
&rst
ixpk= 4354, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1264,1265,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 87 PRO HB+ 37 LEU MDX 5.50 (# 4355:25 Single Ambig)
&rst
ixpk= 4355, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1270,1271,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 87 PRO HG- 37 LEU MDX 5.50 (# 4356:25 Single Ambig)
&rst
ixpk= 4356, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1267,1268,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 37 LEU HN 37 LEU MDX 5.50 (# 4357:25 Unique 4.89, 7.43 A)
&rst
ixpk= 4357, nxpk= 25, iat= 546, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 36 GLY HN 37 LEU MDY 5.50 (# 4358:25 Unique 2.24, 5.08 A)
&rst
ixpk= 4358, nxpk= 25, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 37 LEU HA 37 LEU MDY 4.50 (# 415:25 Single Ambig)
&rst
ixpk= 415, nxpk= 25, iat= 548, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 86 LEU HA 37 LEU MDY 4.50 (# 4359:25 Single Ambig)
&rst
ixpk= 4359, nxpk= 25, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 86 LEU HG 37 LEU MDY 2.80 (# 4360:25 Unique 2.36, 2.67 A)
&rst
ixpk= 4360, nxpk= 25, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 555, 556, 557, 559, 560, 561,
&end
#
# 37 LEU MDY 86 LEU HG 2.80 (# 4420:25 Single Ambig)
&rst
ixpk= 4420, nxpk= 25, iat= -1,1251, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 39 SER HB+ 38 GLU HA 5.50 (# 4361:25 Unique 2.36, 2.67 A)
&rst
ixpk= 4361, nxpk= 25, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 584, 585,
&end
#
# 38 GLU HG+ 38 GLU HA 2.80 (# 1358:25 Double Ambig)
&rst
ixpk= 1358, nxpk= 25, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 572, 573,
&end
#
# 38 GLU HG- 38 GLU HA 2.80 (# 4362:25 Double Ambig)
&rst
ixpk= 4362, nxpk= 25, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 572, 573,
&end
#
# 38 GLU HG+ 38 GLU HA 2.80 (# 1359:25 Single Ambig)
&rst
ixpk= 1359, nxpk= 25, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 572, 573,
&end
#
# 42 VAL HB 41 ARG HA 5.50 (# 4364:25 Single Ambig)
&rst
ixpk= 4364, nxpk= 25, iat= 630, 604, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 PRO HD- 64 PRO HB- 4.50 (# 4365:25 Double Ambig)
&rst
ixpk= 4365, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 936, 937,
igr2= 942, 943,
&end
#
# 38 GLU HA 38 GLU HB+ 2.80 (# 385:25 Single Ambig)
&rst
ixpk= 385, nxpk= 25, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 569, 570,
&end
#
# 39 SER HN 38 GLU HB- 5.50 (# 4367:25 Unique 1.84, 3.43 A)
&rst
ixpk= 4367, nxpk= 25, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 569, 570,
&end
#
# 40 SER HB+ 39 SER HA 3.50 (# 4368:25 Unique 2.17, 2.59 A)
&rst
ixpk= 4368, nxpk= 25, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 595, 596,
&end
#
# 38 GLU HG+ 39 SER HA 5.50 (# 1402:25 Unique 2.17, 2.59 A)
&rst
ixpk= 1402, nxpk= 25, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 572, 573,
&end
#
# 38 GLU HB- 39 SER HA 5.50 (# 1403:25 Unique 2.17, 2.59 A)
&rst
ixpk= 1403, nxpk= 25, iat= -1, 582, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 569, 570,
&end
#
# 38 GLU HG+ 39 SER HB+ 5.50 (# 4369:25 Unique 2.17, 2.59 A)
&rst
ixpk= 4369, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 572, 573,
igr2= 584, 585,
&end
#
# 36 GLY HA+ 39 SER HB+ 4.50 (# 4144:25 Double Ambig)
&rst
ixpk= 4144, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 541, 542,
igr2= 584, 585,
&end
#
# 40 SER HA 39 SER HB+ 4.50 (# 4370:25 Double Ambig)
&rst
ixpk= 4370, nxpk= 25, iat= 593, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 584, 585,
&end
#
# 39 SER HB+ 40 SER HA 4.50 (# 4371:25 Double Ambig)
&rst
ixpk= 4371, nxpk= 25, iat= -1, 593, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 584, 585,
&end
#
# 40 SER HN 40 SER HB+ 3.50 (# 19:25 Double Ambig)
&rst
ixpk= 19, nxpk= 25, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 595, 596,
&end
#
# 41 ARG HN 40 SER HB+ 3.50 (# 4372:25 Double Ambig)
&rst
ixpk= 4372, nxpk= 25, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 595, 596,
&end
#
# 42 VAL HA 41 ARG HA 4.50 (# 1355:25 Double Ambig)
&rst
ixpk= 1355, nxpk= 25, iat= 628, 604, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 SER HB+ 41 ARG HA 4.50 (# 4373:25 Double Ambig)
&rst
ixpk= 4373, nxpk= 25, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 595, 596,
&end
#
# 39 SER HB+ 41 ARG HA 5.50 (# 4374:25 Double Ambig)
&rst
ixpk= 4374, nxpk= 25, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 584, 585,
&end
#
# 41 ARG HB- 41 ARG HA 2.80 (# 4375:25 Unique 2.21, 2.85 A)
&rst
ixpk= 4375, nxpk= 25, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 606, 607,
&end
#
# 41 ARG HA 41 ARG HG- 3.50 (# 1047:25 Double Ambig)
&rst
ixpk= 1047, nxpk= 25, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 609, 610,
&end
#
# 41 ARG HA 41 ARG HG+ 3.50 (# 1048:25 Double Ambig)
&rst
ixpk= 1048, nxpk= 25, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 609, 610,
&end
#
# 101 LEU HA 101 LEU HG 3.50 (# 4376:25 Double Ambig)
&rst
ixpk= 4376, nxpk= 25, iat=1501,1506, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 ILE QG2 60 GLN HG+ 4.50 (# 1857:25 Double Ambig)
&rst
ixpk= 1857, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 850, 851, 852,
igr2= 888, 889,
&end
#
# 75 VAL MGY 76 VAL HB 4.50 (# 4377:25 Double Ambig)
&rst
ixpk= 4377, nxpk= 25, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1104,1105,1106,1108,1109,1110,
&end
#
# 57 ILE QD1 60 GLN HG+ 5.50 (# 1858:25 Double Ambig)
&rst
ixpk= 1858, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 857, 858, 859,
igr2= 888, 889,
&end
#
# 61 THR HA 61 THR HB 2.80 (# 1859:25 Single Ambig)
&rst
ixpk= 1859, nxpk= 25, iat= 900, 902, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 41 ARG HA 61 THR HB 5.50 (# 4379:25 Single Ambig)
&rst
ixpk= 4379, nxpk= 25, iat= 604, 902, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 GLN HB+ 61 THR HA 3.50 (# 4380:25 Single Ambig)
&rst
ixpk= 4380, nxpk= 25, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 885, 886,
&end
#
# 60 GLN HB- 61 THR HA 3.50 (# 4381:25 Single Ambig)
&rst
ixpk= 4381, nxpk= 25, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 885, 886,
&end
#
# 61 THR HN 61 THR HA 2.80 (# 40:25 Single Ambig)
&rst
ixpk= 40, nxpk= 25, iat= 898, 900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 SER HN 61 THR HA 3.50 (# 4382:25 Single Ambig)
&rst
ixpk= 4382, nxpk= 25, iat= 912, 900, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 SER HN 61 THR HB 3.50 (# 2:25 Single Ambig)
&rst
ixpk= 2, nxpk= 25, iat= 912, 902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 THR HN 61 THR HB 3.50 (# 4383:25 Single Ambig)
&rst
ixpk= 4383, nxpk= 25, iat= 898, 902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 ASP HB+ 62 SER HA 5.50 (# 4384:25 Single Ambig)
&rst
ixpk= 4384, nxpk= 25, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 927, 928,
&end
#
# 63 ASP HA 62 SER HA 5.50 (# 4385:25 Single Ambig)
&rst
ixpk= 4385, nxpk= 25, iat= 925, 914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 THR HN 62 SER HB- 5.50 (# 4386:25 Unique 2.34, 3.65 A)
&rst
ixpk= 4386, nxpk= 25, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 916, 917,
&end
#
# 61 THR HA 62 SER HB- 5.50 (# 4042:25 Single Ambig)
&rst
ixpk= 4042, nxpk= 25, iat= 900, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 916, 917,
&end
#
# 64 PRO HB+ 63 ASP HA 5.50 (# 4006:25 Single Ambig)
&rst
ixpk= 4006, nxpk= 25, iat= -1, 925, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 942, 943,
&end
#
# 67 ASN HB+ 63 ASP HA 5.50 (# 4388:25 Single Ambig)
&rst
ixpk= 4388, nxpk= 25, iat= -1, 925, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 987, 988,
&end
#
# 62 SER HN 63 ASP HB+ 5.50 (# 4007:25 Single Ambig)
&rst
ixpk= 4007, nxpk= 25, iat= 912, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 927, 928,
&end
#
# 68 PHE HE 63 ASP HB+ 4.50 (# 119:25 Double Ambig)
&rst
ixpk= 119, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1007,1011,
igr2= 927, 928,
&end
#
# 67 ASN HD2- 63 ASP HB+ 4.50 (# 4389:25 Double Ambig)
&rst
ixpk= 4389, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 992, 993,
igr2= 927, 928,
&end
#
# 67 ASN HB+ 63 ASP HB+ 2.80 (# 3485:25 Double Ambig)
&rst
ixpk= 3485, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 987, 988,
igr2= 927, 928,
&end
#
# 67 ASN HB- 63 ASP HB+ 2.80 (# 4390:25 Double Ambig)
&rst
ixpk= 4390, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 987, 988,
igr2= 927, 928,
&end
#
# 65 ILE HB 64 PRO HB+ 5.50 (# 4391:25 Unique 5.29, 5.89 A)
&rst
ixpk= 4391, nxpk= 25, iat= 953, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 942, 943,
&end
#
# 67 ASN HA 64 PRO HD- 5.50 (# 3780:25 Double Ambig)
&rst
ixpk= 3780, nxpk= 25, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 936, 937,
&end
#
# 67 ASN HA 64 PRO HD+ 5.50 (# 3781:25 Double Ambig)
&rst
ixpk= 3781, nxpk= 25, iat= 985, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 936, 937,
&end
#
# 63 ASP HB+ 64 PRO HD- 4.50 (# 3786:25 Double Ambig)
&rst
ixpk= 3786, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 927, 928,
igr2= 936, 937,
&end
#
# 87 PRO HB+ 88 PRO HD- 4.50 (# 4392:25 Double Ambig)
&rst
ixpk= 4392, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1270,1271,
igr2=1278,1279,
&end
#
# 5 MET HN 5 MET HA 3.50 (# 874:25 Double Ambig)
&rst
ixpk= 874, nxpk= 25, iat= 81, 83, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 LEU HN 78 SER HA 3.50 (# 4395:25 Double Ambig)
&rst
ixpk= 4395, nxpk= 25, iat=1160,1151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 ASP HA 78 SER HB+ 4.50 (# 2128:25 Double Ambig)
&rst
ixpk= 2128, nxpk= 25, iat=1448, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1153,1154,
&end
#
# 78 SER HA 78 SER HB+ 4.50 (# 4396:25 Double Ambig)
&rst
ixpk= 4396, nxpk= 25, iat=1151, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1153,1154,
&end
#
# 98 ASP HA 78 SER HB- 4.50 (# 4397:25 Double Ambig)
&rst
ixpk= 4397, nxpk= 25, iat=1448, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1153,1154,
&end
#
# 84 VAL MGY 83 GLY HA+ 5.50 (# 4398:25 Unique 3.90, 5.88 A)
&rst
ixpk= 4398, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1220,1221,1222,1224,1225,1226,
igr2=1209,1210,
&end
#
# 86 LEU HB+ 84 VAL HA 5.50 (# 4399:25 Single Ambig)
&rst
ixpk= 4399, nxpk= 25, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1248,1249,
&end
#
# 84 VAL MGY 84 VAL HB 2.80 (# 610:25 Single Ambig)
&rst
ixpk= 610, nxpk= 25, iat= -1,1218, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1220,1221,1222,1224,1225,1226,
&end
#
# 84 VAL HN 84 VAL MGY 5.50 (# 4401:25 Unique 2.27, 3.48 A)
&rst
ixpk= 4401, nxpk= 25, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1220,1221,1222,1224,1225,1226,
&end
#
# 83 GLY HN 84 VAL MGY 5.50 (# 4402:25 Unique 2.27, 3.48 A)
&rst
ixpk= 4402, nxpk= 25, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1220,1221,1222,1224,1225,1226,
&end
#
# 56 ASP HN 56 ASP HA 3.50 (# 1796:25 Unique 2.27, 3.48 A)
&rst
ixpk= 1796, nxpk= 25, iat= 832, 834, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 LEU HN 85 ASN HA 4.50 (# 1797:25 Unique 2.27, 3.48 A)
&rst
ixpk= 1797, nxpk= 25, iat=1244,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 ASN HB+ 85 ASN HA 2.80 (# 1798:25 Unique 2.27, 3.48 A)
&rst
ixpk= 1798, nxpk= 25, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1234,1235,
&end
#
# 85 ASN HA 85 ASN HB+ 2.80 (# 350:25 Unique 2.27, 3.48 A)
&rst
ixpk= 350, nxpk= 25, iat=1232, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1234,1235,
&end
#
# 85 ASN HB- 85 ASN HA 2.80 (# 1799:25 Unique 2.27, 3.48 A)
&rst
ixpk= 1799, nxpk= 25, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1234,1235,
&end
#
# 85 ASN HA 85 ASN HB- 2.80 (# 353:25 Unique 2.27, 3.48 A)
&rst
ixpk= 353, nxpk= 25, iat=1232, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1234,1235,
&end
#
# 86 LEU HN 85 ASN HB- 5.50 (# 4403:25 Unique 2.44, 4.30 A)
&rst
ixpk= 4403, nxpk= 25, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1234,1235,
&end
#
# 85 ASN HB- 84 VAL MGY 5.50 (# 4236:25 Unique 2.44, 4.30 A)
&rst
ixpk= 4236, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1234,1235,
igr2=1220,1221,1222,1224,1225,1226,
&end
#
# 85 ASN HB+ 84 VAL MGY 5.50 (# 4404:25 Unique 2.44, 4.30 A)
&rst
ixpk= 4404, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1234,1235,
igr2=1220,1221,1222,1224,1225,1226,
&end
#
# 84 VAL MGY 85 ASN HB+ 4.50 (# 4405:25 Unique 2.44, 4.30 A)
&rst
ixpk= 4405, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1220,1221,1222,1224,1225,1226,
igr2=1234,1235,
&end
#
# 84 VAL MGY 85 ASN HB- 4.50 (# 4406:25 Unique 2.44, 4.30 A)
&rst
ixpk= 4406, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1220,1221,1222,1224,1225,1226,
igr2=1234,1235,
&end
#
# 86 LEU MDY 86 LEU HB+ 3.50 (# 1437:25 Double Ambig)
&rst
ixpk= 1437, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1248,1249,
&end
#
# 18 ALA MB 101 LEU HB+ 4.50 (# 4407:25 Unique 2.44, 4.30 A)
&rst
ixpk= 4407, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 299, 300, 301,
igr2=1503,1504,
&end
#
# 86 LEU MDX 86 LEU HB+ 3.50 (# 4408:25 Double Ambig)
&rst
ixpk= 4408, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1248,1249,
&end
#
# 85 ASN HN 86 LEU MDX 4.50 (# 240:25 Single Ambig)
&rst
ixpk= 240, nxpk= 25, iat=1230, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 90 TRP HD1 86 LEU MDX 3.50 (# 4409:25 Single Ambig)
&rst
ixpk= 4409, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 91 VAL HA 86 LEU MDX 5.50 (# 2166:25 Single Ambig)
&rst
ixpk= 2166, nxpk= 25, iat=1332, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 90 TRP HA 86 LEU MDX 5.50 (# 4410:25 Single Ambig)
&rst
ixpk= 4410, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 87 PRO HD+ 86 LEU MDX 5.50 (# 2167:25 Single Ambig)
&rst
ixpk= 2167, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1264,1265,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 83 GLY HA- 86 LEU MDX 5.50 (# 4411:25 Single Ambig)
&rst
ixpk= 4411, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1209,1210,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 84 VAL HB 86 LEU MDX 5.50 (# 2171:25 Single Ambig)
&rst
ixpk= 2171, nxpk= 25, iat=1218, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 87 PRO HB- 86 LEU MDX 5.50 (# 4412:25 Single Ambig)
&rst
ixpk= 4412, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1270,1271,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 86 LEU HB+ 86 LEU MDX 2.80 (# 4413:25 Unique 2.37, 3.33 A)
&rst
ixpk= 4413, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1248,1249,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 86 LEU HB+ 86 LEU MDY 3.50 (# 4414:25 Unique 2.35, 5.70 A)
&rst
ixpk= 4414, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1248,1249,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 87 PRO HD+ 86 LEU MDY 3.50 (# 2183:25 Single Ambig)
&rst
ixpk= 2183, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1264,1265,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 83 GLY HA- 86 LEU MDY 5.50 (# 4415:25 Single Ambig)
&rst
ixpk= 4415, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1209,1210,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 85 ASN HN 86 LEU MDY 5.50 (# 2185:25 Single Ambig)
&rst
ixpk= 2185, nxpk= 25, iat=1230, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 90 TRP HD1 86 LEU MDY 5.50 (# 4416:25 Single Ambig)
&rst
ixpk= 4416, nxpk= 25, iat=1314, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 91 VAL HA 86 LEU MDY 5.50 (# 3745:25 Single Ambig)
&rst
ixpk= 3745, nxpk= 25, iat=1332, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 90 TRP HA 86 LEU MDY 5.50 (# 4417:25 Single Ambig)
&rst
ixpk= 4417, nxpk= 25, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1253,1254,1255,1257,1258,1259,
&end
#
# 37 LEU MDY 86 LEU HA 5.50 (# 4419:25 Unique 2.53, 4.85 A)
&rst
ixpk= 4419, nxpk= 25, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 71 ASP HN 69 ASN HA 4.50 (# 1938:25 Single Ambig)
&rst
ixpk= 1938, nxpk= 25, iat=1041,1019, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 ASN HD2- 69 ASN HA 5.50 (# 4418:25 Single Ambig)
&rst
ixpk= 4418, nxpk= 25, iat= -1,1019, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1026,1027,
&end
#
# 17 MET HN 17 MET HA 2.80 (# 4420:25 Single Ambig)
&rst
ixpk= 4420, nxpk= 25, iat= 278, 280, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 GLN HN 17 MET HA 5.50 (# 2351:25 Single Ambig)
&rst
ixpk= 2351, nxpk= 25, iat= 261, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ALA HN 17 MET HA 5.50 (# 4421:25 Single Ambig)
&rst
ixpk= 4421, nxpk= 25, iat= 295, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 GLU HN 17 MET HA 5.50 (# 4422:25 Single Ambig)
&rst
ixpk= 4422, nxpk= 25, iat= 305, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 GLY HN 17 MET HA 5.50 (# 4423:25 Single Ambig)
&rst
ixpk= 4423, nxpk= 25, iat= 320, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 THR HN 23 LYS HA 5.50 (# 4424:25 Unique 2.84, 2.88 A)
&rst
ixpk= 4424, nxpk= 25, iat= 379, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 GLY HN 23 LYS HA 5.50 (# 4425:25 Unique 2.84, 2.88 A)
&rst
ixpk= 4425, nxpk= 25, iat= 412, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 113 ARG HN 110 GLU HA 5.50 (# 4426:25 Unique 3.53, 3.55 A)
&rst
ixpk= 4426, nxpk= 25, iat=1676,1627, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 ARG HN 116 ARG HA 2.80 (# 4427:25 Unique 2.79, 2.81 A)
&rst
ixpk= 4427, nxpk= 25, iat=1730,1732, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 ALA HN 127 ILE HA 5.50 (# 4428:25 Unique 2.86, 2.88 A)
&rst
ixpk= 4428, nxpk= 25, iat=1938,1921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 25-2:4138 35 SER HB+ 5.50 (# 4138:25 Single Ambig)
&rst
ixpk= 4138, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 507, 521, 522,
igr2= 532, 533,
&end
#
# 84 ASN HN 83 GLY HA- 4.50 (# 4429:25 Unique 3.74, 4.42 A)
&rst
ixpk= 4429, nxpk= 25, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1209,1210,
&end
#
# 86 LEU MDY 82 SER HB+ 5.50 (# 2127:25 Unique 3.74, 4.42 A)
&rst
ixpk= 2127, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1200,1201,
&end
#
# 86 LEU MDX 82 SER HB+ 5.50 (# 4430:25 Unique 3.74, 4.42 A)
&rst
ixpk= 4430, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1253,1254,1255,1257,1258,1259,
igr2=1200,1201,
&end
#
# 83 GLY HN 83 GLY HA+ 5.50 (# 4431:25 Unique 4.47, 5.20 A)
&rst
ixpk= 4431, nxpk= 25, iat=1207, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1209,1210,
&end
#
# 34 SER HN 32 VAL HA 5.50 (# 4432:25 Single Ambig)
&rst
ixpk= 4432, nxpk= 25, iat= 517, 489, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 37 LEU HA 64 PRO HB+ 4.50 (# 3560:25 Unique 2.69, 4.28 A)
&rst
ixpk= 3560, nxpk= 25, iat= 548, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 942, 943,
&end
#
# 62 SER HB- 35 SER HA 4.50 (# 1293:25 Unique 2.10, 3.23 A)
&rst
ixpk= 1293, nxpk= 25, iat= -1, 530, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 916, 917,
&end
#
# 62 SER HB+ 35 SER HA 4.50 (# 1294:25 Unique 2.10, 3.23 A)
&rst
ixpk= 1294, nxpk= 25, iat= -1, 530, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 916, 917,
&end
#
# 35 SER HA 62 SER HB+ 4.50 (# 1869:25 Unique 2.10, 3.23 A)
&rst
ixpk= 1869, nxpk= 25, iat= 530, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 916, 917,
&end
#
# 33 THR MG2 63 ASP HB+ 5.50 (# 3487:25 Unique 3.69, 6.59 A)
&rst
ixpk= 3487, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 509, 510, 511,
igr2= 927, 928,
&end
#
# 65 ILE HG1+ 35 SER HB+ 3.50 (# 1317:25 Double Ambig)
&rst
ixpk= 1317, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 959, 960,
igr2= 532, 533,
&end
#
# 65 ILE HG1+ 35 SER HB- 3.50 (# 1318:25 Single Ambig)
&rst
ixpk= 1318, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 959, 960,
igr2= 532, 533,
&end
#
# 65 ILE HG1- 35 SER HB- 4.50 (# 1319:25 Unique 2.22, 3.78 A)
&rst
ixpk= 1319, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 959, 960,
igr2= 532, 533,
&end
#
# 65 ILE HN 35 SER HB+ 4.50 (# 1301:25 Unique 2.82, 3.68 A)
&rst
ixpk= 1301, nxpk= 25, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 532, 533,
&end
#
# 65 ILE HN 35 SER HB- 5.50 (# 3624:25 Unique 2.82, 3.68 A)
&rst
ixpk= 3624, nxpk= 25, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 532, 533,
&end
#
# 66 GLU HA 65 ILE QG2 3.50 (# 479:25 Unique 2.18, 4.59 A)
&rst
ixpk= 479, nxpk= 25, iat= 970, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 955, 956, 957,
&end
#
# 58 SER HN 47 ILE QG2 3.50 (# 4434:25 Single Ambig)
&rst
ixpk= 4434, nxpk= 25, iat= 863, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 703, 704, 705,
&end
#
# 58 SER HN 46 ALA MB 5.50 (# 4435:25 Single Ambig)
&rst
ixpk= 4435, nxpk= 25, iat= 863, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 691, 692, 693,
&end
#
# 60 GLN HE2+ 20 GLY HA+ 5.50 (# 4437:25 Unique 4.46, 5.22 A)
&rst
ixpk= 4437, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 893, 894,
igr2= 322, 323,
&end
#
# 60 GLN HE2+ 20 GLY HA- 5.50 (# 4438:25 Unique 4.46, 5.22 A)
&rst
ixpk= 4438, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 893, 894,
igr2= 322, 323,
&end
#
# 60 GLN HE2- 20 GLY HA- 5.50 (# 4439:25 Unique 4.46, 5.22 A)
&rst
ixpk= 4439, nxpk= 25, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 893, 894,
igr2= 322, 323,
&end
#
# 40 SER HN 11 ASN HA 5.50 (# 2916:25 Unique 2.78, 2.88 A)
&rst
ixpk= 2916, nxpk= 25, iat= 591, 192, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 VAL MGY 86 LEU HA 5.50 (# 4440:25 Unique 4.86, 7.52 A)
&rst
ixpk= 4440, nxpk= 25, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1220,1221,1222,1224,1225,1226,
&end
#
# 40 SER HN 11 ASN HB- 3.50 (# 4328:25 Double Ambig)
&rst
ixpk= 4328, nxpk= 25, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 194, 195,
&end
#
# 40 SER HN 11 ASN HB+ 4.50 (# 2349:25 Double Ambig)
&rst
ixpk= 2349, nxpk= 25, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 194, 195,
&end
#
# 41 ARG HN 11 ASN HB- 4.50 (# 4441:25 Double Ambig)
&rst
ixpk= 4441, nxpk= 25, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 194, 195,
&end
#
# 41 ARG HN 11 ASN HB+ 4.50 (# 4442:25 Double Ambig)
&rst
ixpk= 4442, nxpk= 25, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 194, 195,
&end
#
# 76 VAL HN 93 GLN HG+ 4.50 (# 4326:25 Double Ambig)
&rst
ixpk= 4326, nxpk= 25, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1367,1368,
&end
#
# 119 VAL HN 118 GLN HA 3.50 (# 2915:25 Double Ambig)
&rst
ixpk= 2915, nxpk= 25, iat=1778,1763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 TRP HN 80 CYS HA 4.50 (# 4443:25 Double Ambig)
&rst
ixpk= 4443, nxpk= 25, iat=1458,1181, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLN HE2+ 11 ASN HA 5.50 (# 4444:25 Unique 2.39, 5.76 A)
&rst
ixpk= 4444, nxpk= 25, iat= -1, 192, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 893, 894,
&end
#
# 60 GLN HE2- 11 ASN HA 5.50 (# 4445:25 Unique 2.39, 5.76 A)
&rst
ixpk= 4445, nxpk= 25, iat= -1, 192, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 893, 894,
&end
#
# 45 THR O 49 MET HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 685, 726, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,
rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
&end
#
# 45 THR O 49 MET N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 685, 725, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 46 ALA O 50 MET HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 695, 743, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 46 ALA O 50 MET N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 695, 742, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 47 ILE O 51 GLU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 714, 760, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 47 ILE O 51 GLU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 714, 759, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 48 ALA O 52 GLU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 724, 775, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 48 ALA O 52 GLU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 724, 774, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 49 MET O 53 VAL HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 741, 790, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 49 MET O 53 VAL N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 741, 789, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 69 ASN O 72 ASP HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1029,1053, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 69 ASN O 72 ASP N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1029,1052, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 75 VAL O 5 MET HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1112, 81, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 75 VAL O 5 MET N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1112, 80, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 31 ALA O 4 VAL HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 485, 65, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 31 ALA O 4 VAL N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 485, 64, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 97 GLU O 78 SER HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1444,1149, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 97 GLU O 78 SER N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1444,1148, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 3 LYS O 75 VAL HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 63,1098, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 3 LYS O 75 VAL N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 63,1097, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 5 MET O 77 ILE HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 96,1130, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 5 MET O 77 ILE N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 96,1129, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 19 GLU O 23 LYS HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 318, 357, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 19 GLU O 23 LYS N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 318, 356, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 18 ALA O 22 ALA HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 303, 347, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 18 ALA O 22 ALA N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 303, 346, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 17 MET O 21 PHE HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat= 293, 327, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 17 MET O 21 PHE N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 293, 326, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 123 VAL O 127 ILE HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1869,1919, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 123 VAL O 127 ILE N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1869,1918, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 122 ARG O 126 LEU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1853,1900, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 122 ARG O 126 LEU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1853,1899, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 121 GLU O 125 ASN HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1829,1886, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 121 GLU O 125 ASN N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1829,1885, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 120 LYS O 124 GLU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1814,1871, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 120 LYS O 124 GLU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1814,1870, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 119 VAL O 123 VAL HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1792,1855, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 119 VAL O 123 VAL N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1792,1854, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 118 GLN O 122 ARG HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1776,1831, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 118 GLN O 122 ARG N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1776,1830, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 117 GLY O 121 GLU HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1759,1816, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 117 GLY O 121 GLU N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1759,1815, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 116 ARG O 120 LYS HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1752,1794, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 116 ARG O 120 LYS N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1752,1793, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 115 VAL O 119 VAL HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1728,1778, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 115 VAL O 119 VAL N 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1728,1777, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 114 THR O 118 GLN HN 1.8 2.3
&rst
ixpk= 0, nxpk= 0, iat=1712,1761, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, &end
#
# 114 THR O 118 GLN N 2.5 3.3 &rst
ixpk= 0, nxpk= 0, iat=1712,1760, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, &end
#
# 55 ILE HA 56 ASP HN 2.80 (# 0:15 Unique 2.04, 2.18 A)
&rst
ixpk= 0, nxpk= 15, iat= 815, 832, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 56 ASP HB+ 56 ASP HN 2.80 (# 1:15 Unique 2.20, 2.75 A)
&rst
ixpk= 1, nxpk= 15, iat= -1, 832, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 836, 837,
&end
#
# 56 ASP HB- 56 ASP HN 2.80 (# 2:15 Unique 2.20, 2.75 A)
&rst
ixpk= 2, nxpk= 15, iat= -1, 832, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 836, 837,
&end
#
# 55 ILE QG2 56 ASP HN 3.50 (# 3:15 Unique 2.46, 3.50 A)
&rst
ixpk= 3, nxpk= 15, iat= -1, 832, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 819, 820, 821,
&end
#
# 0 AMB 15-2:4 31 ALA HN 2.80 (# 4:15 Single Ambig)
&rst
ixpk= 4, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 460, 45,
&end
#
# 0 AMB 15-2:5 31 ALA HN 2.80 (# 5:15 Single Ambig)
&rst
ixpk= 5, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 462, 8, 9,
&end
#
# 31 ALA MB 31 ALA HN 2.80 (# 6:15 Unique 2.44, 3.10 A)
&rst
ixpk= 6, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 481, 482, 483,
&end
#
# 0 AMB 15-2:7 5 MET HN 4.50 (# 7:15 Single Ambig)
&rst
ixpk= 7, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 489, 45,
&end
#
# 4 VAL HA 5 MET HN 2.80 (# 8:15 Unique 2.20, 2.25 A)
&rst
ixpk= 8, nxpk= 15, iat= 67, 81, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:9 4 VAL HN 2.80 (# 9:15 Single Ambig)
&rst
ixpk= 9, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 45, 489,
&end
#
# 4 VAL MGY 4 VAL HN 2.80 (# 10:15 Unique 2.35, 4.03 A)
&rst
ixpk= 10, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL HB 4 VAL HN 2.80 (# 12:15 Unique 2.48, 2.75 A)
&rst
ixpk= 12, nxpk= 15, iat= 69, 65, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 101 LEU HA 102 GLU HN 2.80 (# 13:15 Unique 2.09, 2.24 A)
&rst
ixpk= 13, nxpk= 15, iat=1501,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLU HA 102 GLU HN 2.80 (# 14:15 Unique 2.83, 2.89 A)
&rst
ixpk= 14, nxpk= 15, iat=1520,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLU HB+ 102 GLU HN 2.80 (# 15:15 Unique 2.24, 3.01 A)
&rst
ixpk= 15, nxpk= 15, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1522,1523,
&end
#
# 0 AMB 15-2:16 102 GLU HN 3.50 (# 16:15 Single Ambig)
&rst
ixpk= 16, nxpk= 15, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1720,1721,1722,1724,1725,1726,1508,1509,1510,1512,
1513,1514,
&end
#
# 98 ASP HA 99 TRP HN 2.80 (# 17:15 Unique 2.18, 2.27 A)
&rst
ixpk= 17, nxpk= 15, iat=1448,1458, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 GLY HA- 26 GLY HN 2.80 (# 18:15 Unique 2.23, 2.59 A)
&rst
ixpk= 18, nxpk= 15, iat= -1, 412, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 414, 415,
&end
#
# 26 GLY HA+ 26 GLY HN 2.80 (# 19:15 Unique 2.23, 2.59 A)
&rst
ixpk= 19, nxpk= 15, iat= -1, 412, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 414, 415,
&end
#
# 51 GLU HB+ 51 GLU HN 2.80 (# 20:15 Unique 2.20, 2.49 A)
&rst
ixpk= 20, nxpk= 15, iat= -1, 760, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 764, 765,
&end
#
# 20 GLY HA- 20 GLY HN 2.80 (# 21:15 Unique 2.27, 2.55 A)
&rst
ixpk= 21, nxpk= 15, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 322, 323,
&end
#
# 1 MET HA 2 LYS HN 2.80 (# 22:15 Unique 2.29, 2.39 A)
&rst
ixpk= 22, nxpk= 15, iat= 6, 21, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 117 GLY HA+ 117 GLY HN 2.80 (# 23:15 Unique 2.28, 2.57 A)
&rst
ixpk= 23, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1756,1757,
&end
#
# 117 GLY HA- 117 GLY HN 2.80 (# 24:15 Unique 2.28, 2.57 A)
&rst
ixpk= 24, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1756,1757,
&end
#
# 46 ALA MB 46 ALA HN 2.80 (# 25:15 Unique 2.46, 2.97 A)
&rst
ixpk= 25, nxpk= 15, iat= -1, 687, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 691, 692, 693,
&end
#
# 23 LYS HA 27 ALA HN 4.50 (# 26:15 Unique 4.34, 4.51 A)
&rst
ixpk= 26, nxpk= 15, iat= 359, 419, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 ALA MB 27 ALA HN 2.80 (# 27:15 Unique 2.37, 2.87 A)
&rst
ixpk= 27, nxpk= 15, iat= -1, 419, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 423, 424, 425,
&end
#
# 114 THR HB 115 VAL HN 2.80 (# 28:15 Unique 2.51, 2.62 A)
&rst
ixpk= 28, nxpk= 15, iat=1704,1714, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 115 VAL HA 115 VAL HN 2.80 (# 29:15 Unique 2.80, 2.81 A)
&rst
ixpk= 29, nxpk= 15, iat=1716,1714, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 115 VAL HB 115 VAL HN 2.80 (# 30:15 Unique 2.21, 2.31 A)
&rst
ixpk= 30, nxpk= 15, iat=1718,1714, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 115 VAL MGY 115 VAL HN 2.80 (# 31:15 Unique 2.29, 3.84 A)
&rst
ixpk= 31, nxpk= 15, iat= -1,1714, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 15-2:32 0 AMB 15-1:32 3.50 (# 32:15 Double Ambig)
&rst
ixpk= 32, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 606, 607, 630, 25, 26,
igr2= 626, 21,
&end
#
# 42 VAL MGX 42 VAL HN 2.80 (# 33:15 Unique 1.83, 3.14 A)
&rst
ixpk= 33, nxpk= 15, iat= -1, 626, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 632, 633, 634, 636, 637, 638,
&end
#
# 41 ARG HA 42 VAL HN 2.80 (# 34:15 Unique 2.29, 2.55 A)
&rst
ixpk= 34, nxpk= 15, iat= 604, 626, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 VAL HA 33 THR HN 2.80 (# 35:15 Unique 2.14, 2.18 A)
&rst
ixpk= 35, nxpk= 15, iat= 489, 503, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 131 SER HA 131 SER HN 2.80 (# 36:15 Unique 2.86, 2.89 A)
&rst
ixpk= 36, nxpk= 15, iat=1991,1989, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 130 ILE HA 131 SER HN 3.50 (# 37:15 Unique 3.53, 3.55 A)
&rst
ixpk= 37, nxpk= 15, iat=1972,1989, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HA 48 ALA HN 2.80 (# 38:15 Unique 2.88, 2.89 A)
&rst
ixpk= 38, nxpk= 15, iat= 718, 716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:39 48 ALA HN 2.80 (# 39:15 Single Ambig)
&rst
ixpk= 39, nxpk= 15, iat= -1, 716, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 701, 737, 738, 739,
&end
#
# 48 ALA MB 48 ALA HN 2.80 (# 40:15 Unique 2.51, 2.97 A)
&rst
ixpk= 40, nxpk= 15, iat= -1, 716, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 720, 721, 722,
&end
#
# 2 LYS HA 3 LYS HN 2.80 (# 41:15 Unique 2.19, 2.27 A)
&rst
ixpk= 41, nxpk= 15, iat= 23, 43, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 31 ALA HA 32 VAL HN 2.80 (# 42:15 Unique 2.23, 2.30 A)
&rst
ixpk= 42, nxpk= 15, iat= 479, 487, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 VAL HB 32 VAL HN 2.80 (# 43:15 Unique 2.50, 2.68 A)
&rst
ixpk= 43, nxpk= 15, iat= 491, 487, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 31 ALA MB 32 VAL HN 3.50 (# 44:15 Unique 2.59, 4.03 A)
&rst
ixpk= 44, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 481, 482, 483,
&end
#
# 32 VAL MGX 32 VAL HN 2.80 (# 45:15 Unique 2.07, 3.96 A)
&rst
ixpk= 45, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 118 GLN HA 118 GLN HN 2.80 (# 46:15 Unique 2.78, 2.83 A)
&rst
ixpk= 46, nxpk= 15, iat=1763,1761, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 115 VAL HA 118 GLN HN 3.50 (# 47:15 Unique 3.02, 3.16 A)
&rst
ixpk= 47, nxpk= 15, iat=1716,1761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 GLN HG+ 118 GLN HN 2.80 (# 48:15 Unique 2.23, 2.85 A)
&rst
ixpk= 48, nxpk= 15, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1768,1769,
&end
#
# 118 GLN HB+ 118 GLN HN 2.80 (# 49:15 Unique 2.34, 3.05 A)
&rst
ixpk= 49, nxpk= 15, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1765,1766,
&end
#
# 118 GLN HB- 118 GLN HN 3.50 (# 50:15 Unique 2.34, 3.05 A)
&rst
ixpk= 50, nxpk= 15, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1765,1766,
&end
#
# 22 ALA MB 22 ALA HN 2.80 (# 52:15 Unique 2.40, 2.87 A)
&rst
ixpk= 52, nxpk= 15, iat= -1, 347, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 351, 352, 353,
&end
#
# 111 VAL HA 111 VAL HN 2.80 (# 53:15 Unique 2.87, 2.88 A)
&rst
ixpk= 53, nxpk= 15, iat=1642,1640, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HB 111 VAL HN 3.50 (# 54:15 Unique 2.58, 2.68 A)
&rst
ixpk= 54, nxpk= 15, iat=1644,1640, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 GLU HB+ 111 VAL HN 3.50 (# 55:15 Unique 2.76, 3.76 A)
&rst
ixpk= 55, nxpk= 15, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1629,1630,
&end
#
# 111 VAL MGY 111 VAL HN 2.80 (# 56:15 Unique 2.05, 3.76 A)
&rst
ixpk= 56, nxpk= 15, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 126 LEU HB- 126 LEU HN 2.80 (# 57:15 Unique 2.15, 2.41 A)
&rst
ixpk= 57, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1904,1905,
&end
#
# 126 LEU HA 126 LEU HN 2.80 (# 58:15 Unique 2.79, 2.81 A)
&rst
ixpk= 58, nxpk= 15, iat=1902,1900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 126 LEU HB+ 126 LEU HN 3.50 (# 59:15 Unique 2.15, 2.41 A)
&rst
ixpk= 59, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1904,1905,
&end
#
# 123 VAL HB 123 VAL HN 3.50 (# 60:15 Unique 2.32, 2.44 A)
&rst
ixpk= 60, nxpk= 15, iat=1859,1855, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 VAL MGX 123 VAL HN 2.80 (# 61:15 Unique 2.00, 3.81 A)
&rst
ixpk= 61, nxpk= 15, iat= -1,1855, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1861,1862,1863,1865,1866,1867,
&end
#
# 123 VAL MGY 123 VAL HN 3.50 (# 62:15 Unique 2.00, 3.81 A)
&rst
ixpk= 62, nxpk= 15, iat= -1,1855, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 15-2:63 55 ILE HN 2.80 (# 63:15 Single Ambig)
&rst
ixpk= 63, nxpk= 15, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 815, 808, 809,
&end
#
# 54 GLY HA+ 55 ILE HN 3.50 (# 64:15 Unique 3.06, 3.33 A)
&rst
ixpk= 64, nxpk= 15, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 808, 809,
&end
#
# 0 AMB 15-2:65 55 ILE HN 2.80 (# 65:15 Single Ambig)
&rst
ixpk= 65, nxpk= 15, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
igr1= 817, 796, 797, 798, 800, 801, 802,
&end
#
# 94 GLU HB- 94 GLU HN 3.50 (# 66:15 Unique 2.41, 3.06 A)
&rst
ixpk= 66, nxpk= 15, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1381,1382,
&end
#
# 112 PHE HB+ 112 PHE HN 2.80 (# 67:15 Unique 2.39, 3.07 A)
&rst
ixpk= 67, nxpk= 15, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1660,1661,
&end
#
# 111 VAL HB 112 PHE HN 2.80 (# 68:15 Unique 2.53, 2.80 A)
&rst
ixpk= 68, nxpk= 15, iat=1644,1656, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:69 105 ASP HN 3.50 (# 69:15 Single Ambig)
&rst
ixpk= 69, nxpk= 15, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1555, 228,
&end
#
# 105 ASP HB+ 105 ASP HN 2.80 (# 70:15 Unique 2.27, 2.51 A)
&rst
ixpk= 70, nxpk= 15, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1563,1564,
&end
#
# 93 GLN HA 94 GLU HN 2.80 (# 71:15 Unique 2.59, 2.71 A)
&rst
ixpk= 71, nxpk= 15, iat=1362,1377, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HA 0 AMB 15-1:72 3.50 (# 72:15 Single Ambig)
&rst
ixpk= 72, nxpk= 15, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1700,1656,
&end
#
# 0 AMB 15-2:73 116 ARG HN 2.80 (# 73:15 Single Ambig)
&rst
ixpk= 73, nxpk= 15, iat= -1,1730, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1734,1735,1718,
&end
#
# 25 LEU HB+ 25 LEU HN 2.80 (# 74:15 Unique 2.31, 2.96 A)
&rst
ixpk= 74, nxpk= 15, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 397, 398,
&end
#
# 103 ASP HB- 103 ASP HN 3.50 (# 75:15 Unique 2.40, 3.10 A)
&rst
ixpk= 75, nxpk= 15, iat= -1,1533, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1537,1538,
&end
#
# 114 THR HB 114 THR HN 2.80 (# 76:15 Unique 2.07, 2.12 A)
&rst
ixpk= 76, nxpk= 15, iat=1704,1700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 114 THR HA 114 THR HN 2.80 (# 77:15 Unique 2.81, 2.83 A)
&rst
ixpk= 77, nxpk= 15, iat=1702,1700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 ALA HA 128 ALA HN 2.80 (# 78:15 Unique 2.77, 2.80 A)
&rst
ixpk= 78, nxpk= 15, iat=1940,1938, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 127 ILE HB 128 ALA HN 2.80 (# 79:15 Unique 2.44, 2.58 A)
&rst
ixpk= 79, nxpk= 15, iat=1923,1938, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 ALA MB 128 ALA HN 2.80 (# 80:15 Unique 2.42, 2.87 A)
&rst
ixpk= 80, nxpk= 15, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1942,1943,1944,
&end
#
# 24 THR HB 25 LEU HN 2.80 (# 81:15 Unique 2.36, 2.55 A)
&rst
ixpk= 81, nxpk= 15, iat= 383, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 LEU HG 25 LEU HN 2.80 (# 82:15 Unique 2.24, 2.29 A)
&rst
ixpk= 82, nxpk= 15, iat= 400, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:83 0 AMB 15-1:83 2.80 (# 83:15 Double Ambig)
&rst
ixpk= 83, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1873,1716,1857,
igr2=1871,1730,
&end
#
# 124 GLU HB+ 124 GLU HN 2.80 (# 84:15 Unique 2.31, 2.96 A)
&rst
ixpk= 84, nxpk= 15, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1875,1876,
&end
#
# 124 GLU HG+ 124 GLU HN 3.50 (# 85:15 Unique 2.56, 3.21 A)
&rst
ixpk= 85, nxpk= 15, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1878,1879,
&end
#
# 102 GLU HA 103 ASP HN 3.50 (# 86:15 Unique 2.20, 2.82 A)
&rst
ixpk= 86, nxpk= 15, iat=1520,1533, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 ASP HB+ 103 ASP HN 3.50 (# 87:15 Unique 2.40, 3.10 A)
&rst
ixpk= 87, nxpk= 15, iat= -1,1533, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1537,1538,
&end
#
# 37 LEU HA 37 LEU HN 2.80 (# 88:15 Unique 2.25, 2.89 A)
&rst
ixpk= 88, nxpk= 15, iat= 548, 546, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 LYS HB- 120 LYS HN 2.80 (# 89:15 Unique 2.33, 2.52 A)
&rst
ixpk= 89, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1798,1799,
&end
#
# 119 VAL HB 120 LYS HN 3.50 (# 90:15 Unique 2.45, 2.69 A)
&rst
ixpk= 90, nxpk= 15, iat=1782,1794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLU HB+ 98 ASP HN 3.50 (# 91:15 Unique 2.04, 2.82 A)
&rst
ixpk= 91, nxpk= 15, iat= -1,1446, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1435,1436,
&end
#
# 68 PHE HA 69 ASN HN 2.80 (# 92:15 Unique 2.38, 2.45 A)
&rst
ixpk= 92, nxpk= 15, iat= 999,1017, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 ASN HB+ 69 ASN HN 3.50 (# 93:15 Unique 2.64, 3.01 A)
&rst
ixpk= 93, nxpk= 15, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1021,1022,
&end
#
# 69 ASN HB- 69 ASN HN 2.80 (# 94:15 Unique 2.64, 3.01 A)
&rst
ixpk= 94, nxpk= 15, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1021,1022,
&end
#
# 0 AMB 15-2:95 66 GLU HN 2.80 (# 95:15 Single Ambig)
&rst
ixpk= 95, nxpk= 15, iat= -1, 968, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 972, 973, 942, 943,
&end
#
# 65 ILE QG2 66 GLU HN 2.80 (# 96:15 Unique 2.66, 3.54 A)
&rst
ixpk= 96, nxpk= 15, iat= -1, 968, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 955, 956, 957,
&end
#
# 0 AMB 15-2:97 109 LEU HN 2.80 (# 97:15 Single Ambig)
&rst
ixpk= 97, nxpk= 15, iat= -1,1606, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1597,1599,1600,
&end
#
# 0 AMB 15-2:98 109 LEU HN 2.80 (# 98:15 Single Ambig)
&rst
ixpk= 98, nxpk= 15, iat= -1,1606, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1610,1611,1613,
&end
#
# 97 GLU HA 98 ASP HN 2.80 (# 99:15 Unique 2.35, 2.49 A)
&rst
ixpk= 99, nxpk= 15, iat=1433,1446, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 GLN HA 60 GLN HN 2.80 (# 100:15 Unique 2.78, 2.87 A)
&rst
ixpk= 100, nxpk= 15, iat= 883, 881, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 GLN HB+ 60 GLN HN 2.80 (# 101:15 Unique 2.33, 2.83 A)
&rst
ixpk= 101, nxpk= 15, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 885, 886,
&end
#
# 60 GLN HB- 60 GLN HN 3.50 (# 102:15 Unique 2.33, 2.83 A)
&rst
ixpk= 102, nxpk= 15, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 885, 886,
&end
#
# 0 AMB 15-2:103 66 GLU HN 2.80 (# 103:15 Single Ambig)
&rst
ixpk= 103, nxpk= 15, iat= -1, 968, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 975, 976, 942, 943,
&end
#
# 119 VAL MGY 119 VAL HN 3.50 (# 104:15 Unique 1.93, 3.80 A)
&rst
ixpk= 104, nxpk= 15, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 33 THR HA 34 SER HN 3.50 (# 105:15 Unique 2.43, 3.34 A)
&rst
ixpk= 105, nxpk= 15, iat= 505, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 THR MG2 34 SER HN 3.50 (# 106:15 Unique 2.49, 4.02 A)
&rst
ixpk= 106, nxpk= 15, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 509, 510, 511,
&end
#
# 21 PHE HB- 21 PHE HN 3.50 (# 107:15 Unique 2.17, 2.93 A)
&rst
ixpk= 107, nxpk= 15, iat= -1, 327, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 331, 332,
&end
#
# 73 TYR HA 74 ASP HN 2.80 (# 109:15 Unique 2.09, 2.29 A)
&rst
ixpk= 109, nxpk= 15, iat=1067,1086, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 SER HB+ 58 SER HN 2.80 (# 110:15 Unique 2.42, 2.94 A)
&rst
ixpk= 110, nxpk= 15, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 867, 868,
&end
#
# 107 GLN HG- 107 GLN HN 2.80 (# 111:15 Unique 2.31, 3.02 A)
&rst
ixpk= 111, nxpk= 15, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1585,1586,
&end
#
# 0 AMB 15-2:112 67 ASN HN 2.80 (# 112:15 Single Ambig)
&rst
ixpk= 112, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 985, 970,
&end
#
# 0 AMB 15-2:113 67 ASN HN 2.80 (# 113:15 Single Ambig)
&rst
ixpk= 113, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 987, 988, 942, 943,
&end
#
# 125 ASN HB- 125 ASN HN 2.80 (# 114:15 Unique 2.14, 2.57 A)
&rst
ixpk= 114, nxpk= 15, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1890,1891,
&end
#
# 124 GLU HB+ 125 ASN HN 3.50 (# 115:15 Unique 2.66, 3.14 A)
&rst
ixpk= 115, nxpk= 15, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1875,1876,
&end
#
# 90 TRP HB- 90 TRP HN 3.50 (# 116:15 Unique 2.29, 2.96 A)
&rst
ixpk= 116, nxpk= 15, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1310,1311,
&end
#
# 0 AMB 15-2:117 127 ILE HN 2.80 (# 117:15 Single Ambig)
&rst
ixpk= 117, nxpk= 15, iat= -1,1919, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1929,1930,1923,
&end
#
# 61 THR HA 62 SER HN 3.50 (# 119:15 Unique 2.07, 3.02 A)
&rst
ixpk= 119, nxpk= 15, iat= 900, 912, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:122 110 GLU HN 2.80 (# 122:15 Single Ambig)
&rst
ixpk= 122, nxpk= 15, iat= -1,1625, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1627,1599,1600,
&end
#
# 110 GLU HB- 110 GLU HN 2.80 (# 123:15 Unique 2.10, 2.91 A)
&rst
ixpk= 123, nxpk= 15, iat= -1,1625, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1629,1630,
&end
#
# 38 GLU HB- 38 GLU HN 4.50 (# 124:15 Unique 2.32, 3.36 A)
&rst
ixpk= 124, nxpk= 15, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 569, 570,
&end
#
# 72 ASP HB+ 72 ASP HN 2.80 (# 125:15 Unique 2.48, 2.57 A)
&rst
ixpk= 125, nxpk= 15, iat= -1,1053, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1057,1058,
&end
#
# 72 ASP HA 72 ASP HN 2.80 (# 126:15 Unique 2.84, 2.87 A)
&rst
ixpk= 126, nxpk= 15, iat=1055,1053, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 GLU HA 52 GLU HN 2.80 (# 127:15 Unique 2.79, 2.82 A)
&rst
ixpk= 127, nxpk= 15, iat= 777, 775, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 GLU HG+ 52 GLU HN 2.80 (# 128:15 Unique 1.85, 2.46 A)
&rst
ixpk= 128, nxpk= 15, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 782, 783,
&end
#
# 48 ALA MB 49 MET HN 2.80 (# 130:15 Unique 2.76, 3.62 A)
&rst
ixpk= 130, nxpk= 15, iat= -1, 726, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 720, 721, 722,
&end
#
# 49 MET HB+ 49 MET HN 3.50 (# 131:15 Unique 2.43, 3.06 A)
&rst
ixpk= 131, nxpk= 15, iat= -1, 726, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 730, 731,
&end
#
# 0 AMB 15-2:132 129 LYS HN 2.80 (# 132:15 Single Ambig)
&rst
ixpk= 132, nxpk= 15, iat= -1,1948, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1952,1953,1952,1953,
&end
#
# 0 AMB 15-2:133 129 LYS HN 2.80 (# 133:15 Single Ambig)
&rst
ixpk= 133, nxpk= 15, iat= -1,1948, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1942,1943,1944,1980,1981,
&end
#
# 121 GLU HA 121 GLU HN 2.80 (# 134:15 Unique 2.80, 2.81 A)
&rst
ixpk= 134, nxpk= 15, iat=1818,1816, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 121 GLU HB- 121 GLU HN 2.80 (# 135:15 Unique 2.32, 2.39 A)
&rst
ixpk= 135, nxpk= 15, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1820,1821,
&end
#
# 120 LYS HB- 121 GLU HN 2.80 (# 136:15 Unique 2.34, 3.06 A)
&rst
ixpk= 136, nxpk= 15, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1798,1799,
&end
#
# 107 GLN HG- 107 GLN HE2+ 2.80 (# 137:15 Unique 2.21, 3.18 A)
&rst
ixpk= 137, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1585,1586,
igr2=1590,1591,
&end
#
# 107 GLN HA 108 SER HN 2.80 (# 138:15 Unique 2.50, 2.60 A)
&rst
ixpk= 138, nxpk= 15, iat=1580,1595, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:139 108 SER HN 2.80 (# 139:15 Single Ambig)
&rst
ixpk= 139, nxpk= 15, iat= -1,1595, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1599,1600,1597,
&end
#
# 108 SER HB+ 108 SER HN 2.80 (# 140:15 Unique 2.47, 3.05 A)
&rst
ixpk= 140, nxpk= 15, iat= -1,1595, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1599,1600,
&end
#
# 107 GLN HB+ 108 SER HN 3.50 (# 141:15 Unique 1.94, 2.75 A)
&rst
ixpk= 141, nxpk= 15, iat= -1,1595, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1582,1583,
&end
#
# 107 GLN HB- 108 SER HN 2.80 (# 142:15 Unique 1.94, 2.75 A)
&rst
ixpk= 142, nxpk= 15, iat= -1,1595, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1582,1583,
&end
#
# 60 GLN HA 61 THR HN 3.50 (# 143:15 Unique 1.99, 2.24 A)
&rst
ixpk= 143, nxpk= 15, iat= 883, 898, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 GLN HG- 93 GLN HE2+ 3.50 (# 144:15 Unique 2.20, 3.27 A)
&rst
ixpk= 144, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1367,1368,
igr2=1372,1373,
&end
#
# 24 THR HB 24 THR HN 2.80 (# 145:15 Unique 2.02, 2.07 A)
&rst
ixpk= 145, nxpk= 15, iat= 383, 379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:148 130 ILE HN 3.50 (# 148:15 Single Ambig)
&rst
ixpk= 148, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1952,1953,1952,1953,
&end
#
# 130 ILE HG1- 130 ILE HN 2.80 (# 149:15 Unique 1.96, 2.71 A)
&rst
ixpk= 149, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1980,1981,
&end
#
# 130 ILE HG1+ 130 ILE HN 3.50 (# 150:15 Unique 1.96, 2.71 A)
&rst
ixpk= 150, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1980,1981,
&end
#
# 130 ILE QG2 130 ILE HN 2.80 (# 151:15 Unique 2.29, 3.21 A)
&rst
ixpk= 151, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1976,1977,1978,
&end
#
# 71 ASP HB- 71 ASP HN 2.80 (# 153:15 Unique 2.46, 2.54 A)
&rst
ixpk= 153, nxpk= 15, iat= -1,1041, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1045,1046,
&end
#
# 0 AMB 15-2:154 67 ASN HD2- 3.50 (# 154:15 Single Ambig)
&rst
ixpk= 154, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 987, 988, 942, 943,
igr2= 992, 993,
&end
#
# 69 ASN HA 70 ALA HN 2.80 (# 155:15 Unique 2.29, 2.39 A)
&rst
ixpk= 155, nxpk= 15, iat=1019,1031, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 70 ALA MB 70 ALA HN 2.80 (# 156:15 Unique 2.50, 3.00 A)
&rst
ixpk= 156, nxpk= 15, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1035,1036,1037,
&end
#
# 118 GLN HG- 118 GLN HE2+ 2.80 (# 157:15 Unique 2.21, 3.28 A)
&rst
ixpk= 157, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1768,1769,
igr2=1773,1774,
&end
#
# 118 GLN HG+ 118 GLN HE2+ 3.50 (# 158:15 Unique 2.21, 3.28 A)
&rst
ixpk= 158, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1768,1769,
igr2=1773,1774,
&end
#
# 114 THR MG2 118 GLN HE2+ 3.50 (# 159:15 Unique 3.09, 4.66 A)
&rst
ixpk= 159, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1706,1707,1708,
igr2=1773,1774,
&end
#
# 95 ILE HA 96 PHE HN 2.80 (# 161:15 Unique 2.14, 2.21 A)
&rst
ixpk= 161, nxpk= 15, iat=1394,1411, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 54 GLY HA+ 54 GLY HN 2.80 (# 162:15 Unique 2.25, 2.60 A)
&rst
ixpk= 162, nxpk= 15, iat= -1, 806, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 808, 809,
&end
#
# 54 GLY HA- 54 GLY HN 2.80 (# 163:15 Unique 2.25, 2.60 A)
&rst
ixpk= 163, nxpk= 15, iat= -1, 806, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 808, 809,
&end
#
# 0 AMB 15-2:164 0 AMB 15-1:164 2.80 (# 164:15 Double Ambig)
&rst
ixpk= 164, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 885, 886, 848,
igr2= 893, 894, 893, 894,
&end
#
# 75 VAL HA 76 VAL HN 2.80 (# 165:15 Unique 2.13, 2.19 A)
&rst
ixpk= 165, nxpk= 15, iat=1100,1114, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 53 VAL MGX 53 VAL HN 3.50 (# 166:15 Unique 2.11, 3.48 A)
&rst
ixpk= 166, nxpk= 15, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 796, 797, 798, 800, 801, 802,
&end
#
# 50 MET HN 51 GLU HN 2.80 (# 167:15 Unique 2.03, 2.11 A)
&rst
ixpk= 167, nxpk= 15, iat= 743, 760, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 GLU HN 51 GLU HN 2.80 (# 168:15 Unique 2.46, 2.53 A)
&rst
ixpk= 168, nxpk= 15, iat= 775, 760, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HN 112 PHE HN 2.80 (# 169:15 Unique 2.53, 2.58 A)
&rst
ixpk= 169, nxpk= 15, iat=1640,1656, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 GLY HN 25 LEU HN 2.80 (# 170:15 Unique 2.43, 2.51 A)
&rst
ixpk= 170, nxpk= 15, iat= 412, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 THR HN 25 LEU HN 2.80 (# 171:15 Unique 2.52, 2.74 A)
&rst
ixpk= 171, nxpk= 15, iat= 379, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:172 0 AMB 15-1:172 3.50 (# 172:15 Double Ambig)
&rst
ixpk= 172, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 983,1761,
igr2= 968,1778,
&end
#
# 75 VAL HN 74 ASP HN 3.50 (# 173:15 Unique 1.79, 2.21 A)
&rst
ixpk= 173, nxpk= 15, iat=1098,1086, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 ILE HN 29 LYS HN 2.80 (# 174:15 Unique 1.94, 2.13 A)
&rst
ixpk= 174, nxpk= 15, iat= 458, 436, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HN 110 GLU HN 2.80 (# 175:15 Unique 2.77, 2.82 A)
&rst
ixpk= 175, nxpk= 15, iat=1640,1625, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 GLY HN 27 ALA HN 2.80 (# 176:15 Unique 2.59, 2.67 A)
&rst
ixpk= 176, nxpk= 15, iat= 412, 419, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 54 GLY HN 53 VAL HN 2.80 (# 179:15 Unique 2.16, 2.45 A)
&rst
ixpk= 179, nxpk= 15, iat= 806, 790, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 LEU HN 26 GLY HN 2.80 (# 180:15 Unique 2.43, 2.51 A)
&rst
ixpk= 180, nxpk= 15, iat= 393, 412, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 119 VAL HN 118 GLN HN 3.50 (# 181:15 Unique 2.74, 2.90 A)
&rst
ixpk= 181, nxpk= 15, iat=1778,1761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 PHE HN 111 VAL HN 2.80 (# 182:15 Unique 2.53, 2.58 A)
&rst
ixpk= 182, nxpk= 15, iat=1656,1640, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 GLU HN 52 GLU HN 2.80 (# 183:15 Unique 2.46, 2.53 A)
&rst
ixpk= 183, nxpk= 15, iat= 760, 775, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 ASP HN 75 VAL HN 3.50 (# 184:15 Unique 1.79, 2.21 A)
&rst
ixpk= 184, nxpk= 15, iat=1086,1098, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 LEU HN 24 THR HN 2.80 (# 185:15 Unique 2.52, 2.74 A)
&rst
ixpk= 185, nxpk= 15, iat= 393, 379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 23 LYS HN 24 THR HN 2.80 (# 186:15 Unique 2.61, 2.73 A)
&rst
ixpk= 186, nxpk= 15, iat= 357, 379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 29 LYS HN 30 ILE HN 2.80 (# 187:15 Unique 1.94, 2.13 A)
&rst
ixpk= 187, nxpk= 15, iat= 436, 458, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:188 90 TRP HN 2.80 (# 188:15 Single Ambig)
&rst
ixpk= 188, nxpk= 15, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1330,1314,
&end
#
# 53 VAL HN 54 GLY HN 2.80 (# 189:15 Unique 2.16, 2.45 A)
&rst
ixpk= 189, nxpk= 15, iat= 790, 806, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 ILE QG2 65 ILE HN 4.50 (# 192:15 Unique 2.19, 3.21 A)
&rst
ixpk= 192, nxpk= 15, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 955, 956, 957,
&end
#
# 65 ILE HB 65 ILE HN 3.50 (# 193:15 Unique 2.07, 2.23 A)
&rst
ixpk= 193, nxpk= 15, iat= 953, 949, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 1 MET HB+ 1 MET HN 5.50 (# 196:15 Unique 2.40, 3.29 A)
&rst
ixpk= 196, nxpk= 15, iat= -1, 2, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 8, 9,
&end
#
# 30 ILE HA 2 LYS HN 3.50 (# 197:15 Unique 2.27, 2.81 A)
&rst
ixpk= 197, nxpk= 15, iat= 460, 21, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 ALA HN 2 LYS HN 5.50 (# 198:15 Unique 3.67, 4.19 A)
&rst
ixpk= 198, nxpk= 15, iat= 477, 21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 2 LYS HB- 2 LYS HN 3.50 (# 199:15 Unique 2.82, 3.34 A)
&rst
ixpk= 199, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 25, 26,
&end
#
# 3 LYS HA 3 LYS HN 3.50 (# 200:15 Unique 2.95, 2.97 A)
&rst
ixpk= 200, nxpk= 15, iat= 45, 43, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ASP HN 3 LYS HN 5.50 (# 201:15 Unique 2.53, 2.79 A)
&rst
ixpk= 201, nxpk= 15, iat=1086, 43, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 ASP HB+ 3 LYS HN 5.50 (# 202:15 Unique 2.59, 3.04 A)
&rst
ixpk= 202, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1090,1091,
&end
#
# 74 ASP HB- 3 LYS HN 3.50 (# 203:15 Unique 2.59, 3.04 A)
&rst
ixpk= 203, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1090,1091,
&end
#
# 2 LYS HB+ 3 LYS HN 5.50 (# 204:15 Unique 3.11, 3.75 A)
&rst
ixpk= 204, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 25, 26,
&end
#
# 3 LYS HB+ 3 LYS HN 3.50 (# 205:15 Unique 2.54, 3.20 A)
&rst
ixpk= 205, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 47, 48,
&end
#
# 3 LYS HG+ 3 LYS HN 4.50 (# 206:15 Unique 2.37, 3.11 A)
&rst
ixpk= 206, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 50, 51,
&end
#
# 3 LYS HG- 3 LYS HN 5.50 (# 207:15 Unique 2.37, 3.11 A)
&rst
ixpk= 207, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 50, 51,
&end
#
# 4 VAL HA 4 VAL HN 3.50 (# 208:15 Unique 2.95, 2.97 A)
&rst
ixpk= 208, nxpk= 15, iat= 67, 65, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 3 LYS HN 4 VAL HN 5.50 (# 209:15 Unique 4.48, 4.56 A)
&rst
ixpk= 209, nxpk= 15, iat= 43, 65, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:210 4 VAL HN 5.50 (# 210:15 Single Ambig)
&rst
ixpk= 210, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1102, 491,
&end
#
# 31 ALA MB 4 VAL HN 3.50 (# 211:15 Unique 3.58, 4.54 A)
&rst
ixpk= 211, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 481, 482, 483,
&end
#
# 32 VAL MGY 4 VAL HN 5.50 (# 212:15 Unique 3.91, 5.47 A)
&rst
ixpk= 212, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 15-2:213 4 VAL HN 4.50 (# 213:15 Single Ambig)
&rst
ixpk= 213, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 493, 494, 495, 497, 498, 499,1104,1105,1106,1108,
1109,1110,
&end
#
# 4 VAL MGX 4 VAL HN 4.50 (# 214:15 Unique 2.35, 4.03 A)
&rst
ixpk= 214, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 6 PHE HD 5 MET HN 4.50 (# 216:15 Unique 4.09, 5.49 A)
&rst
ixpk= 216, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 106, 114,
&end
#
# 0 AMB 15-2:217 5 MET HN 5.50 (# 217:15 Single Ambig)
&rst
ixpk= 217, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 507, 521, 522, 307,
&end
#
# 5 MET HB- 5 MET HN 4.50 (# 218:15 Unique 2.74, 3.39 A)
&rst
ixpk= 218, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 85, 86,
&end
#
# 5 MET HG+ 5 MET HN 4.50 (# 219:15 Unique 3.29, 3.88 A)
&rst
ixpk= 219, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 88, 89,
&end
#
# 0 AMB 15-2:220 5 MET HN 3.50 (# 220:15 Single Ambig)
&rst
ixpk= 220, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1120,1121,1122,1124,1125,1126, 493, 494, 495, 497,
498, 499,1909,1910,1911,1913,1914,1915,1909,1910,
1911,1913,1914,1915,
&end
#
# 4 VAL MGX 5 MET HN 3.50 (# 221:15 Unique 2.15, 4.03 A)
&rst
ixpk= 221, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL MGY 5 MET HN 4.50 (# 222:15 Unique 2.15, 4.03 A)
&rst
ixpk= 222, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 18 ALA HA 18 ALA HN 3.50 (# 223:15 Unique 2.22, 2.80 A)
&rst
ixpk= 223, nxpk= 15, iat= 297, 295, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 MET HN 18 ALA HN 3.50 (# 224:15 Unique 2.03, 2.72 A)
&rst
ixpk= 224, nxpk= 15, iat= 278, 295, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 MET HB+ 18 ALA HN 4.50 (# 225:15 Unique 1.81, 3.11 A)
&rst
ixpk= 225, nxpk= 15, iat= -1, 295, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 282, 283,
&end
#
# 19 GLU HG- 18 ALA HN 5.50 (# 226:15 Unique 4.05, 5.67 A)
&rst
ixpk= 226, nxpk= 15, iat= -1, 295, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 312, 313,
&end
#
# 0 AMB 15-2:227 18 ALA HN 3.50 (# 227:15 Single Ambig)
&rst
ixpk= 227, nxpk= 15, iat= -1, 295, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1784,1785,1786,1788,1789,1790,1508,1509,1510,1512,
1513,1514,
&end
#
# 18 ALA MB 18 ALA HN 2.80 (# 228:15 Unique 2.42, 2.96 A)
&rst
ixpk= 228, nxpk= 15, iat= -1, 295, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 299, 300, 301,
&end
#
# 18 ALA MB 19 GLU HN 3.50 (# 229:15 Unique 2.28, 3.32 A)
&rst
ixpk= 229, nxpk= 15, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 299, 300, 301,
&end
#
# 19 GLU HB+ 19 GLU HN 3.50 (# 230:15 Unique 2.31, 3.02 A)
&rst
ixpk= 230, nxpk= 15, iat= -1, 305, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 309, 310,
&end
#
# 19 GLU HA 19 GLU HN 3.50 (# 231:15 Unique 2.84, 2.87 A)
&rst
ixpk= 231, nxpk= 15, iat= 307, 305, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 ALA HN 19 GLU HN 3.50 (# 232:15 Unique 2.68, 2.96 A)
&rst
ixpk= 232, nxpk= 15, iat= 295, 305, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLU HN 20 GLY HN 3.50 (# 233:15 Unique 2.38, 2.61 A)
&rst
ixpk= 233, nxpk= 15, iat= 305, 320, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 GLN HE2- 20 GLY HN 4.50 (# 234:15 Unique 3.52, 4.92 A)
&rst
ixpk= 234, nxpk= 15, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 893, 894,
&end
#
# 17 MET HA 20 GLY HN 4.50 (# 235:15 Unique 2.39, 3.43 A)
&rst
ixpk= 235, nxpk= 15, iat= 280, 320, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 GLY HA+ 20 GLY HN 2.80 (# 236:15 Unique 2.27, 2.55 A)
&rst
ixpk= 236, nxpk= 15, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 322, 323,
&end
#
# 19 GLU HB+ 20 GLY HN 4.50 (# 237:15 Unique 3.69, 3.95 A)
&rst
ixpk= 237, nxpk= 15, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 309, 310,
&end
#
# 32 VAL MGY 20 GLY HN 5.50 (# 238:15 Unique 5.12, 6.73 A)
&rst
ixpk= 238, nxpk= 15, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 17 MET ME 20 GLY HN 4.50 (# 239:15 Unique 3.77, 5.11 A)
&rst
ixpk= 239, nxpk= 15, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 289, 290, 291,
&end
#
# 57 ILE QG2 20 GLY HN 3.50 (# 240:15 Unique 2.86, 3.82 A)
&rst
ixpk= 240, nxpk= 15, iat= -1, 320, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 850, 851, 852,
&end
#
# 17 MET ME 21 PHE HN 2.80 (# 241:15 Unique 2.88, 3.91 A)
&rst
ixpk= 241, nxpk= 15, iat= -1, 327, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 289, 290, 291,
&end
#
# 123 VAL MGX 21 PHE HN 5.50 (# 242:15 Unique 4.14, 5.48 A)
&rst
ixpk= 242, nxpk= 15, iat= -1, 327, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1861,1862,1863,1865,1866,1867,
&end
#
# 20 GLY HA- 21 PHE HN 3.50 (# 243:15 Unique 2.61, 3.18 A)
&rst
ixpk= 243, nxpk= 15, iat= -1, 327, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 322, 323,
&end
#
# 18 ALA HA 21 PHE HN 4.50 (# 244:15 Unique 3.34, 3.70 A)
&rst
ixpk= 244, nxpk= 15, iat= 297, 327, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 MET HA 21 PHE HN 5.50 (# 245:15 Unique 2.87, 3.78 A)
&rst
ixpk= 245, nxpk= 15, iat= 280, 327, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HA 21 PHE HN 3.50 (# 246:15 Unique 2.81, 2.85 A)
&rst
ixpk= 246, nxpk= 15, iat= 329, 327, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 PHE HD 21 PHE HN 3.50 (# 247:15 Unique 3.02, 3.99 A)
&rst
ixpk= 247, nxpk= 15, iat= -1, 327, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 335, 343,
&end
#
# 20 GLY HN 21 PHE HN 3.50 (# 248:15 Unique 2.68, 2.91 A)
&rst
ixpk= 248, nxpk= 15, iat= 320, 327, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ALA HN 21 PHE HN 3.50 (# 249:15 Unique 2.63, 2.78 A)
&rst
ixpk= 249, nxpk= 15, iat= 347, 327, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 LYS HN 22 ALA HN 3.50 (# 250:15 Unique 2.62, 2.77 A)
&rst
ixpk= 250, nxpk= 15, iat= 357, 347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 PHE HN 22 ALA HN 3.50 (# 251:15 Unique 2.63, 2.78 A)
&rst
ixpk= 251, nxpk= 15, iat= 327, 347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ALA HA 22 ALA HN 3.50 (# 252:15 Unique 2.80, 2.85 A)
&rst
ixpk= 252, nxpk= 15, iat= 349, 347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLU HA 22 ALA HN 4.50 (# 253:15 Unique 3.02, 3.31 A)
&rst
ixpk= 253, nxpk= 15, iat= 307, 347, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 PHE HB- 22 ALA HN 3.50 (# 254:15 Unique 2.96, 3.32 A)
&rst
ixpk= 254, nxpk= 15, iat= -1, 347, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 331, 332,
&end
#
# 123 VAL MGX 22 ALA HN 5.50 (# 255:15 Unique 2.62, 4.27 A)
&rst
ixpk= 255, nxpk= 15, iat= -1, 347, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1861,1862,1863,1865,1866,1867,
&end
#
# 123 VAL MGY 22 ALA HN 3.50 (# 256:15 Unique 2.62, 4.27 A)
&rst
ixpk= 256, nxpk= 15, iat= -1, 347, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 15-2:257 23 LYS HN 2.80 (# 257:15 Single Ambig)
&rst
ixpk= 257, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 364, 365, 351, 352, 353,
&end
#
# 32 VAL MGX 23 LYS HN 4.50 (# 258:15 Unique 2.46, 4.34 A)
&rst
ixpk= 258, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 23 LYS HB+ 23 LYS HN 3.50 (# 259:15 Unique 1.97, 2.89 A)
&rst
ixpk= 259, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 361, 362,
&end
#
# 23 LYS HA 23 LYS HN 3.50 (# 260:15 Unique 2.84, 2.88 A)
&rst
ixpk= 260, nxpk= 15, iat= 359, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 THR HN 23 LYS HN 3.50 (# 261:15 Unique 2.61, 2.73 A)
&rst
ixpk= 261, nxpk= 15, iat= 379, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ALA HN 23 LYS HN 4.50 (# 262:15 Unique 2.62, 2.77 A)
&rst
ixpk= 262, nxpk= 15, iat= 347, 357, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ALA HN 24 THR HN 5.50 (# 263:15 Unique 3.91, 4.08 A)
&rst
ixpk= 263, nxpk= 15, iat= 347, 379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 GLY HN 24 THR HN 4.50 (# 264:15 Unique 3.84, 4.01 A)
&rst
ixpk= 264, nxpk= 15, iat= 412, 379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 LEU HA 24 THR HN 5.50 (# 267:15 Unique 5.18, 5.39 A)
&rst
ixpk= 267, nxpk= 15, iat= 395, 379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 LEU HA 25 LEU HN 3.50 (# 268:15 Unique 2.88, 2.89 A)
&rst
ixpk= 268, nxpk= 15, iat= 395, 393, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 ALA HA 25 LEU HN 5.50 (# 269:15 Unique 3.37, 3.46 A)
&rst
ixpk= 269, nxpk= 15, iat= 349, 393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 GLY HA- 25 LEU HN 5.50 (# 270:15 Unique 4.65, 4.99 A)
&rst
ixpk= 270, nxpk= 15, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 414, 415,
&end
#
# 25 LEU HB- 25 LEU HN 3.50 (# 271:15 Unique 2.31, 2.96 A)
&rst
ixpk= 271, nxpk= 15, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 397, 398,
&end
#
# 24 THR MG2 25 LEU HN 3.50 (# 272:15 Unique 2.78, 3.74 A)
&rst
ixpk= 272, nxpk= 15, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 385, 386, 387,
&end
#
# 0 AMB 15-2:273 25 LEU HN 3.50 (# 273:15 Single Ambig)
&rst
ixpk= 273, nxpk= 15, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
1866,1867,
&end
#
# 0 AMB 15-2:274 25 LEU HN 5.50 (# 274:15 Single Ambig)
&rst
ixpk= 274, nxpk= 15, iat= -1, 393, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1932,1933,1934, 471, 472, 473,
&end
#
# 22 ALA HA 26 GLY HN 5.50 (# 275:15 Unique 2.92, 3.22 A)
&rst
ixpk= 275, nxpk= 15, iat= 349, 412, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:276 26 GLY HN 3.50 (# 276:15 Single Ambig)
&rst
ixpk= 276, nxpk= 15, iat= -1, 412, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1932,1933,1934, 471, 472, 473,
&end
#
# 0 AMB 15-2:277 26 GLY HN 4.50 (# 277:15 Single Ambig)
&rst
ixpk= 277, nxpk= 15, iat= -1, 412, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
1866,1867,
&end
#
# 0 AMB 15-2:278 26 GLY HN 5.50 (# 278:15 Single Ambig)
&rst
ixpk= 278, nxpk= 15, iat= -1, 412, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 468, 469, 385, 386, 387,
&end
#
# 25 LEU HB- 26 GLY HN 4.50 (# 279:15 Unique 2.54, 3.16 A)
&rst
ixpk= 279, nxpk= 15, iat= -1, 412, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 397, 398,
&end
#
# 25 LEU HG 26 GLY HN 5.50 (# 280:15 Unique 4.29, 4.35 A)
&rst
ixpk= 280, nxpk= 15, iat= 400, 412, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 ALA HN 26 GLY HN 2.80 (# 281:15 Unique 2.59, 2.67 A)
&rst
ixpk= 281, nxpk= 15, iat= 419, 412, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 THR HN 26 GLY HN 4.50 (# 282:15 Unique 3.84, 4.01 A)
&rst
ixpk= 282, nxpk= 15, iat= 379, 412, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 LEU HN 27 ALA HN 5.50 (# 283:15 Unique 3.92, 4.03 A)
&rst
ixpk= 283, nxpk= 15, iat= 393, 419, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 GLY HA- 27 ALA HN 3.50 (# 288:15 Unique 3.08, 3.34 A)
&rst
ixpk= 288, nxpk= 15, iat= -1, 419, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 414, 415,
&end
#
# 0 AMB 15-2:289 27 ALA HN 5.50 (# 289:15 Single Ambig)
&rst
ixpk= 289, nxpk= 15, iat= -1, 419, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 397, 398, 446, 447, 440, 441,
&end
#
# 0 AMB 15-2:290 27 ALA HN 5.50 (# 290:15 Single Ambig)
&rst
ixpk= 290, nxpk= 15, iat= -1, 419, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 468, 469, 385, 386, 387,
&end
#
# 0 AMB 15-2:291 27 ALA HN 4.50 (# 291:15 Single Ambig)
&rst
ixpk= 291, nxpk= 15, iat= -1, 419, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1932,1933,1934, 471, 472, 473,
&end
#
# 27 ALA MB 28 GLY HN 5.50 (# 292:15 Unique 2.51, 3.87 A)
&rst
ixpk= 292, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 423, 424, 425,
&end
#
# 28 GLY HA- 28 GLY HN 5.50 (# 293:15 Unique 2.26, 2.59 A)
&rst
ixpk= 293, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 431, 432,
&end
#
# 28 GLY HA+ 28 GLY HN 3.50 (# 294:15 Unique 2.26, 2.59 A)
&rst
ixpk= 294, nxpk= 15, iat= -1, 429, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 431, 432,
&end
#
# 28 GLY HA- 29 LYS HN 5.50 (# 296:15 Unique 2.84, 3.36 A)
&rst
ixpk= 296, nxpk= 15, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 431, 432,
&end
#
# 28 GLY HA+ 29 LYS HN 4.50 (# 297:15 Unique 2.84, 3.36 A)
&rst
ixpk= 297, nxpk= 15, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 431, 432,
&end
#
# 29 LYS HA 29 LYS HN 3.50 (# 298:15 Unique 2.92, 2.99 A)
&rst
ixpk= 298, nxpk= 15, iat= 438, 436, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 ILE HA 30 ILE HN 3.50 (# 299:15 Unique 2.94, 2.96 A)
&rst
ixpk= 299, nxpk= 15, iat= 460, 458, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 LYS HA 30 ILE HN 4.50 (# 300:15 Unique 3.56, 3.59 A)
&rst
ixpk= 300, nxpk= 15, iat= 438, 458, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:301 30 ILE HN 5.50 (# 301:15 Single Ambig)
&rst
ixpk= 301, nxpk= 15, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 421, 431, 432,
&end
#
# 26 GLY HA- 30 ILE HN 4.50 (# 302:15 Unique 3.50, 3.79 A)
&rst
ixpk= 302, nxpk= 15, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 414, 415,
&end
#
# 0 AMB 15-2:303 30 ILE HN 3.50 (# 303:15 Single Ambig)
&rst
ixpk= 303, nxpk= 15, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 440, 441, 15, 16, 17,
&end
#
# 29 LYS HB- 30 ILE HN 4.50 (# 304:15 Unique 2.37, 3.58 A)
&rst
ixpk= 304, nxpk= 15, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 440, 441,
&end
#
# 30 ILE HG1- 30 ILE HN 3.50 (# 305:15 Unique 2.29, 2.76 A)
&rst
ixpk= 305, nxpk= 15, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 468, 469,
&end
#
# 30 ILE HG1+ 30 ILE HN 2.80 (# 306:15 Unique 2.29, 2.76 A)
&rst
ixpk= 306, nxpk= 15, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 468, 469,
&end
#
# 30 ILE QG2 30 ILE HN 3.50 (# 307:15 Unique 3.17, 4.00 A)
&rst
ixpk= 307, nxpk= 15, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 464, 465, 466,
&end
#
# 4 VAL MGY 31 ALA HN 3.50 (# 308:15 Unique 2.54, 5.18 A)
&rst
ixpk= 308, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 30 ILE QG2 31 ALA HN 4.50 (# 309:15 Unique 3.76, 4.48 A)
&rst
ixpk= 309, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 464, 465, 466,
&end
#
# 2 LYS HB- 31 ALA HN 5.50 (# 310:15 Unique 4.04, 4.93 A)
&rst
ixpk= 310, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 25, 26,
&end
#
# 1 MET HG- 31 ALA HN 4.50 (# 311:15 Unique 2.79, 4.04 A)
&rst
ixpk= 311, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 11, 12,
&end
#
# 31 ALA HA 31 ALA HN 3.50 (# 312:15 Unique 2.98, 3.00 A)
&rst
ixpk= 312, nxpk= 15, iat= 479, 477, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 VAL HA 32 VAL HN 3.50 (# 313:15 Unique 2.92, 2.97 A)
&rst
ixpk= 313, nxpk= 15, iat= 489, 487, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:314 32 VAL HN 5.50 (# 314:15 Single Ambig)
&rst
ixpk= 314, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 69, 462, 367, 368,
&end
#
# 0 AMB 15-2:315 32 VAL HN 4.50 (# 315:15 Single Ambig)
&rst
ixpk= 315, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 364, 365, 47, 48, 351, 352, 353,
&end
#
# 32 VAL MGY 32 VAL HN 4.50 (# 317:15 Unique 2.07, 3.96 A)
&rst
ixpk= 317, nxpk= 15, iat= -1, 487, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 0 AMB 15-2:318 33 THR HN 5.50 (# 318:15 Single Ambig)
&rst
ixpk= 318, nxpk= 15, iat= -1, 503, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 71, 72, 73, 75, 76, 77, 92, 93, 94,
&end
#
# 33 THR MG2 33 THR HN 4.50 (# 319:15 Unique 4.29, 4.62 A)
&rst
ixpk= 319, nxpk= 15, iat= -1, 503, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 509, 510, 511,
&end
#
# 32 VAL MGY 33 THR HN 2.80 (# 320:15 Unique 2.69, 4.33 A)
&rst
ixpk= 320, nxpk= 15, iat= -1, 503, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 4 VAL HB 33 THR HN 4.50 (# 321:15 Unique 3.59, 3.80 A)
&rst
ixpk= 321, nxpk= 15, iat= 69, 503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 VAL HB 33 THR HN 4.50 (# 322:15 Unique 3.97, 4.14 A)
&rst
ixpk= 322, nxpk= 15, iat= 491, 503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 THR HB 33 THR HN 3.50 (# 323:15 Unique 2.41, 2.49 A)
&rst
ixpk= 323, nxpk= 15, iat= 507, 503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 THR HA 33 THR HN 3.50 (# 324:15 Unique 2.92, 2.95 A)
&rst
ixpk= 324, nxpk= 15, iat= 505, 503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PHE HD 33 THR HN 5.50 (# 326:15 Unique 4.16, 7.00 A)
&rst
ixpk= 326, nxpk= 15, iat= -1, 503, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 34 SER HA 34 SER HN 4.50 (# 327:15 Unique 2.19, 2.41 A)
&rst
ixpk= 327, nxpk= 15, iat= 519, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 VAL MGY 34 SER HN 5.50 (# 331:15 Unique 3.36, 5.82 A)
&rst
ixpk= 331, nxpk= 15, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 35 SER HB- 35 SER HN 5.50 (# 332:15 Unique 2.46, 3.09 A)
&rst
ixpk= 332, nxpk= 15, iat= -1, 528, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 532, 533,
&end
#
# 35 SER HA 35 SER HN 5.50 (# 335:15 Unique 2.38, 2.79 A)
&rst
ixpk= 335, nxpk= 15, iat= 530, 528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 SER HA 35 SER HN 3.50 (# 336:15 Unique 2.09, 2.58 A)
&rst
ixpk= 336, nxpk= 15, iat= 519, 528, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 SER HA 36 GLY HN 3.50 (# 338:15 Unique 2.18, 2.39 A)
&rst
ixpk= 338, nxpk= 15, iat= 530, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 GLY HA+ 36 GLY HN 3.50 (# 339:15 Unique 2.27, 2.68 A)
&rst
ixpk= 339, nxpk= 15, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 541, 542,
&end
#
# 35 SER HB+ 36 GLY HN 3.50 (# 341:15 Unique 2.20, 3.26 A)
&rst
ixpk= 341, nxpk= 15, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 532, 533,
&end
#
# 35 SER HB- 36 GLY HN 4.50 (# 342:15 Unique 2.20, 3.26 A)
&rst
ixpk= 342, nxpk= 15, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 532, 533,
&end
#
# 38 GLU HA 38 GLU HN 2.80 (# 345:15 Unique 2.21, 2.66 A)
&rst
ixpk= 345, nxpk= 15, iat= 567, 565, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 LEU HA 38 GLU HN 3.50 (# 346:15 Unique 2.17, 2.95 A)
&rst
ixpk= 346, nxpk= 15, iat= 548, 565, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:347 38 GLU HN 3.50 (# 347:15 Single Ambig)
&rst
ixpk= 347, nxpk= 15, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 569, 570, 942, 943,
&end
#
# 37 LEU HB+ 38 GLU HN 4.50 (# 348:15 Unique 1.81, 3.31 A)
&rst
ixpk= 348, nxpk= 15, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 550, 551,
&end
#
# 37 LEU MDX 38 GLU HN 4.50 (# 349:15 Unique 3.54, 5.46 A)
&rst
ixpk= 349, nxpk= 15, iat= -1, 565, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 38 GLU HB- 39 SER HN 4.50 (# 350:15 Unique 1.84, 3.43 A)
&rst
ixpk= 350, nxpk= 15, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 569, 570,
&end
#
# 38 GLU HB+ 39 SER HN 3.50 (# 351:15 Unique 1.84, 3.43 A)
&rst
ixpk= 351, nxpk= 15, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 569, 570,
&end
#
# 39 SER HB+ 39 SER HN 3.50 (# 352:15 Unique 2.37, 3.49 A)
&rst
ixpk= 352, nxpk= 15, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 584, 585,
&end
#
# 38 GLU HA 39 SER HN 3.50 (# 353:15 Unique 2.12, 2.89 A)
&rst
ixpk= 353, nxpk= 15, iat= 567, 580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 LEU MDX 110 GLU HN 5.50 (# 355:15 Unique 4.20, 5.68 A)
&rst
ixpk= 355, nxpk= 15, iat= -1,1625, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1615,1616,1617,1619,1620,1621,
&end
#
# 111 VAL MGY 110 GLU HN 4.50 (# 356:15 Unique 4.04, 6.23 A)
&rst
ixpk= 356, nxpk= 15, iat= -1,1625, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 109 LEU HB- 110 GLU HN 3.50 (# 357:15 Unique 2.56, 3.27 A)
&rst
ixpk= 357, nxpk= 15, iat= -1,1625, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1610,1611,
&end
#
# 113 ARG HD- 110 GLU HN 4.50 (# 360:15 Unique 3.94, 5.20 A)
&rst
ixpk= 360, nxpk= 15, iat= -1,1625, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1686,1687,
&end
#
# 0 AMB 15-2:361 40 SER HN 2.80 (# 361:15 Single Ambig)
&rst
ixpk= 361, nxpk= 15, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 584, 585, 595, 596,
&end
#
# 109 LEU HN 110 GLU HN 3.50 (# 362:15 Unique 2.71, 2.90 A)
&rst
ixpk= 362, nxpk= 15, iat=1606,1625, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 GLN HG+ 94 GLU HN 4.50 (# 364:15 Unique 4.34, 4.61 A)
&rst
ixpk= 364, nxpk= 15, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1367,1368,
&end
#
# 102 GLU HB- 103 ASP HN 3.50 (# 365:15 Unique 2.59, 3.55 A)
&rst
ixpk= 365, nxpk= 15, iat= -1,1533, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1522,1523,
&end
#
# 93 GLN HB- 94 GLU HN 2.80 (# 366:15 Unique 2.02, 2.77 A)
&rst
ixpk= 366, nxpk= 15, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1364,1365,
&end
#
# 42 VAL HA 42 VAL HN 3.50 (# 367:15 Unique 2.78, 2.88 A)
&rst
ixpk= 367, nxpk= 15, iat= 628, 626, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 43 HIS HA 43 HIS HN 5.50 (# 369:15 Unique 2.13, 2.85 A)
&rst
ixpk= 369, nxpk= 15, iat= 644, 642, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 VAL HA 43 HIS HN 2.80 (# 370:15 Unique 2.31, 2.58 A)
&rst
ixpk= 370, nxpk= 15, iat= 628, 642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 HIS HB- 43 HIS HN 3.50 (# 371:15 Unique 2.15, 2.77 A)
&rst
ixpk= 371, nxpk= 15, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 646, 647,
&end
#
# 0 AMB 15-2:372 43 HIS HN 5.50 (# 372:15 Single Ambig)
&rst
ixpk= 372, nxpk= 15, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 691, 692, 693, 265, 266, 268, 269,
&end
#
# 42 VAL MGX 43 HIS HN 4.50 (# 373:15 Unique 2.42, 4.36 A)
&rst
ixpk= 373, nxpk= 15, iat= -1, 642, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 632, 633, 634, 636, 637, 638,
&end
#
# 0 AMB 15-2:375 46 ALA HN 5.50 (# 375:15 Single Ambig)
&rst
ixpk= 375, nxpk= 15, iat= -1, 687, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 663, 664, 701, 666, 667,
&end
#
# 43 HIS HB- 46 ALA HN 4.50 (# 376:15 Unique 2.38, 3.58 A)
&rst
ixpk= 376, nxpk= 15, iat= -1, 687, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 646, 647,
&end
#
# 45 THR HB 46 ALA HN 3.50 (# 377:15 Unique 2.75, 3.06 A)
&rst
ixpk= 377, nxpk= 15, iat= 677, 687, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ALA HA 46 ALA HN 3.50 (# 378:15 Unique 2.78, 2.84 A)
&rst
ixpk= 378, nxpk= 15, iat= 689, 687, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 ILE HA 47 ILE HN 5.50 (# 379:15 Unique 2.80, 2.84 A)
&rst
ixpk= 379, nxpk= 15, iat= 699, 697, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 ILE HB 47 ILE HN 3.50 (# 380:15 Unique 2.40, 2.44 A)
&rst
ixpk= 380, nxpk= 15, iat= 701, 697, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ALA MB 47 ILE HN 3.50 (# 381:15 Unique 2.39, 3.30 A)
&rst
ixpk= 381, nxpk= 15, iat= -1, 697, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 691, 692, 693,
&end
#
# 0 AMB 15-2:382 47 ILE HN 5.50 (# 382:15 Single Ambig)
&rst
ixpk= 382, nxpk= 15, iat= -1, 697, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 710, 711, 712, 632, 633, 634, 636, 637, 638,
&end
#
# 47 ILE HG1- 47 ILE HN 5.50 (# 383:15 Unique 2.09, 2.91 A)
&rst
ixpk= 383, nxpk= 15, iat= -1, 697, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 707, 708,
&end
#
# 47 ILE QG2 48 ALA HN 3.50 (# 384:15 Unique 3.71, 4.47 A)
&rst
ixpk= 384, nxpk= 15, iat= -1, 716, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 703, 704, 705,
&end
#
# 46 ALA MB 48 ALA HN 5.50 (# 385:15 Unique 4.71, 5.17 A)
&rst
ixpk= 385, nxpk= 15, iat= -1, 716, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 691, 692, 693,
&end
#
# 0 AMB 15-2:386 48 ALA HN 5.50 (# 386:15 Single Ambig)
&rst
ixpk= 386, nxpk= 15, iat= -1, 716, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 730, 731, 764, 765, 767, 768,
&end
#
# 0 AMB 15-2:387 48 ALA HN 5.50 (# 387:15 Single Ambig)
&rst
ixpk= 387, nxpk= 15, iat= -1, 716, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 733, 734, 666, 667,
&end
#
# 47 ILE HA 48 ALA HN 5.50 (# 388:15 Unique 3.54, 3.56 A)
&rst
ixpk= 388, nxpk= 15, iat= 699, 716, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 THR HA 48 ALA HN 3.50 (# 389:15 Unique 2.88, 3.32 A)
&rst
ixpk= 389, nxpk= 15, iat= 675, 716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 MET HN 48 ALA HN 3.50 (# 390:15 Unique 2.29, 2.43 A)
&rst
ixpk= 390, nxpk= 15, iat= 726, 716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 MET HN 49 MET HN 3.50 (# 391:15 Unique 2.44, 2.54 A)
&rst
ixpk= 391, nxpk= 15, iat= 743, 726, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HN 49 MET HN 3.50 (# 392:15 Unique 2.29, 2.43 A)
&rst
ixpk= 392, nxpk= 15, iat= 716, 726, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 MET HA 49 MET HN 3.50 (# 393:15 Unique 2.89, 2.91 A)
&rst
ixpk= 393, nxpk= 15, iat= 728, 726, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HA 49 MET HN 4.50 (# 394:15 Unique 3.46, 3.53 A)
&rst
ixpk= 394, nxpk= 15, iat= 718, 726, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ALA HA 49 MET HN 4.50 (# 395:15 Unique 2.95, 3.07 A)
&rst
ixpk= 395, nxpk= 15, iat= 689, 726, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:396 49 MET HN 3.50 (# 396:15 Single Ambig)
&rst
ixpk= 396, nxpk= 15, iat= -1, 726, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 737, 738, 739, 747, 748,
&end
#
# 49 MET HB- 49 MET HN 3.50 (# 397:15 Unique 2.43, 3.06 A)
&rst
ixpk= 397, nxpk= 15, iat= -1, 726, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 730, 731,
&end
#
# 45 THR MG2 49 MET HN 5.50 (# 398:15 Unique 4.14, 5.29 A)
&rst
ixpk= 398, nxpk= 15, iat= -1, 726, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 679, 680, 681,
&end
#
# 0 AMB 15-2:399 50 MET HN 5.50 (# 399:15 Single Ambig)
&rst
ixpk= 399, nxpk= 15, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 857, 858, 859, 707, 708,
&end
#
# 0 AMB 15-2:400 50 MET HN 5.50 (# 400:15 Single Ambig)
&rst
ixpk= 400, nxpk= 15, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 703, 704, 705, 289, 290, 291,
&end
#
# 0 AMB 15-2:401 50 MET HN 5.50 (# 401:15 Single Ambig)
&rst
ixpk= 401, nxpk= 15, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 854, 855, 796, 797, 798, 800, 801, 802,
&end
#
# 50 MET HB- 50 MET HN 4.50 (# 403:15 Unique 2.34, 3.15 A)
&rst
ixpk= 403, nxpk= 15, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 747, 748,
&end
#
# 0 AMB 15-2:404 67 ASN HN 2.80 (# 404:15 Single Ambig)
&rst
ixpk= 404, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 972, 973, 942, 943,
&end
#
# 50 MET HG- 50 MET HN 4.50 (# 405:15 Unique 2.92, 3.74 A)
&rst
ixpk= 405, nxpk= 15, iat= -1, 743, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 750, 751,
&end
#
# 0 AMB 15-2:406 90 TRP HN 4.50 (# 406:15 Single Ambig)
&rst
ixpk= 406, nxpk= 15, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1293,1264,1265,
&end
#
# 50 MET HA 50 MET HN 5.50 (# 407:15 Unique 2.96, 2.98 A)
&rst
ixpk= 407, nxpk= 15, iat= 745, 743, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 GLU HN 50 MET HN 3.50 (# 408:15 Unique 2.03, 2.11 A)
&rst
ixpk= 408, nxpk= 15, iat= 760, 743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 MET HN 50 MET HN 3.50 (# 409:15 Unique 2.44, 2.54 A)
&rst
ixpk= 409, nxpk= 15, iat= 726, 743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HA 51 GLU HN 3.50 (# 413:15 Unique 3.45, 3.52 A)
&rst
ixpk= 413, nxpk= 15, iat= 718, 760, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 GLU HA 51 GLU HN 2.80 (# 414:15 Unique 2.82, 2.84 A)
&rst
ixpk= 414, nxpk= 15, iat= 762, 760, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 50 MET HG- 51 GLU HN 5.50 (# 415:15 Unique 4.37, 5.03 A)
&rst
ixpk= 415, nxpk= 15, iat= -1, 760, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 750, 751,
&end
#
# 52 GLU HG- 51 GLU HN 4.50 (# 416:15 Unique 3.63, 4.31 A)
&rst
ixpk= 416, nxpk= 15, iat= -1, 760, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 782, 783,
&end
#
# 50 MET HB- 51 GLU HN 4.50 (# 417:15 Unique 2.79, 3.49 A)
&rst
ixpk= 417, nxpk= 15, iat= -1, 760, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 747, 748,
&end
#
# 0 AMB 15-2:418 51 GLU HN 5.50 (# 418:15 Single Ambig)
&rst
ixpk= 418, nxpk= 15, iat= -1, 760, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 796, 797, 798, 800, 801, 802, 854, 855,
&end
#
# 47 ILE QG2 51 GLU HN 4.50 (# 419:15 Unique 4.09, 4.73 A)
&rst
ixpk= 419, nxpk= 15, iat= -1, 760, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 703, 704, 705,
&end
#
# 0 AMB 15-2:421 52 GLU HN 5.50 (# 421:15 Single Ambig)
&rst
ixpk= 421, nxpk= 15, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 703, 704, 705, 289, 290, 291,
&end
#
# 53 VAL MGX 52 GLU HN 5.50 (# 422:15 Unique 3.62, 5.75 A)
&rst
ixpk= 422, nxpk= 15, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 796, 797, 798, 800, 801, 802,
&end
#
# 0 AMB 15-2:423 52 GLU HN 5.50 (# 423:15 Single Ambig)
&rst
ixpk= 423, nxpk= 15, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 720, 721, 722, 823, 824,
&end
#
# 51 GLU HA 52 GLU HN 3.50 (# 424:15 Unique 3.41, 3.47 A)
&rst
ixpk= 424, nxpk= 15, iat= 762, 775, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 VAL HN 52 GLU HN 2.80 (# 425:15 Unique 2.69, 2.78 A)
&rst
ixpk= 425, nxpk= 15, iat= 790, 775, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 54 GLY HN 52 GLU HN 4.50 (# 426:15 Unique 3.74, 3.99 A)
&rst
ixpk= 426, nxpk= 15, iat= 806, 775, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 ARG HE 52 GLU HN 5.50 (# 427:15 Unique 4.83, 5.20 A)
&rst
ixpk= 427, nxpk= 15, iat=1743, 775, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 GLU HN 53 VAL HN 3.50 (# 429:15 Unique 2.69, 2.78 A)
&rst
ixpk= 429, nxpk= 15, iat= 775, 790, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 MET HA 53 VAL HN 3.50 (# 430:15 Unique 3.20, 3.39 A)
&rst
ixpk= 430, nxpk= 15, iat= 745, 790, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 GLU HA 53 VAL HN 3.50 (# 432:15 Unique 3.45, 3.53 A)
&rst
ixpk= 432, nxpk= 15, iat= 777, 790, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 GLY HA+ 53 VAL HN 5.50 (# 433:15 Unique 4.40, 4.87 A)
&rst
ixpk= 433, nxpk= 15, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 808, 809,
&end
#
# 53 VAL HB 53 VAL HN 4.50 (# 434:15 Unique 2.39, 3.29 A)
&rst
ixpk= 434, nxpk= 15, iat= 794, 790, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 GLU HB+ 53 VAL HN 3.50 (# 435:15 Unique 2.50, 3.62 A)
&rst
ixpk= 435, nxpk= 15, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 779, 780,
&end
#
# 53 VAL MGX 54 GLY HN 3.50 (# 436:15 Unique 4.02, 4.97 A)
&rst
ixpk= 436, nxpk= 15, iat= -1, 806, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 796, 797, 798, 800, 801, 802,
&end
#
# 0 AMB 15-2:437 54 GLY HN 5.50 (# 437:15 Single Ambig)
&rst
ixpk= 437, nxpk= 15, iat= -1, 806, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 764, 765, 779, 780,
&end
#
# 53 VAL HB 54 GLY HN 5.50 (# 438:15 Unique 3.10, 4.09 A)
&rst
ixpk= 438, nxpk= 15, iat= 794, 806, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 GLU HN 54 GLY HN 5.50 (# 440:15 Unique 3.74, 3.99 A)
&rst
ixpk= 440, nxpk= 15, iat= 775, 806, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 ASP HN 55 ILE HN 5.50 (# 441:15 Unique 4.39, 4.57 A)
&rst
ixpk= 441, nxpk= 15, iat= 832, 813, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 GLU HN 55 ILE HN 5.50 (# 442:15 Unique 4.60, 4.76 A)
&rst
ixpk= 442, nxpk= 15, iat= 775, 813, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 VAL HN 55 ILE HN 3.50 (# 443:15 Unique 3.17, 3.32 A)
&rst
ixpk= 443, nxpk= 15, iat= 790, 813, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:444 55 ILE HN 4.50 (# 444:15 Single Ambig)
&rst
ixpk= 444, nxpk= 15, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 767, 768, 764, 765,
&end
#
# 50 MET HB+ 55 ILE HN 5.50 (# 445:15 Unique 3.94, 4.49 A)
&rst
ixpk= 445, nxpk= 15, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 747, 748,
&end
#
# 50 MET HB- 55 ILE HN 5.50 (# 446:15 Unique 3.94, 4.49 A)
&rst
ixpk= 446, nxpk= 15, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 747, 748,
&end
#
# 55 ILE HG1+ 55 ILE HN 3.50 (# 447:15 Unique 2.30, 3.08 A)
&rst
ixpk= 447, nxpk= 15, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 823, 824,
&end
#
# 55 ILE HG1- 55 ILE HN 3.50 (# 448:15 Unique 2.30, 3.08 A)
&rst
ixpk= 448, nxpk= 15, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 823, 824,
&end
#
# 55 ILE QD1 55 ILE HN 4.50 (# 449:15 Unique 4.23, 4.80 A)
&rst
ixpk= 449, nxpk= 15, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 826, 827, 828,
&end
#
# 55 ILE QG2 55 ILE HN 4.50 (# 450:15 Unique 4.01, 4.48 A)
&rst
ixpk= 450, nxpk= 15, iat= -1, 813, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 819, 820, 821,
&end
#
# 55 ILE HG1- 56 ASP HN 5.50 (# 451:15 Unique 3.33, 4.84 A)
&rst
ixpk= 451, nxpk= 15, iat= -1, 832, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 823, 824,
&end
#
# 55 ILE HB 56 ASP HN 5.50 (# 452:15 Unique 3.94, 4.19 A)
&rst
ixpk= 452, nxpk= 15, iat= 817, 832, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 ILE HN 56 ASP HN 5.50 (# 456:15 Unique 4.39, 4.57 A)
&rst
ixpk= 456, nxpk= 15, iat= 813, 832, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 SER HN 57 ILE HN 3.50 (# 457:15 Unique 1.74, 1.95 A)
&rst
ixpk= 457, nxpk= 15, iat= 863, 844, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 ILE HA 57 ILE HN 3.50 (# 458:15 Unique 2.94, 2.97 A)
&rst
ixpk= 458, nxpk= 15, iat= 846, 844, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:459 57 ILE HN 5.50 (# 459:15 Single Ambig)
&rst
ixpk= 459, nxpk= 15, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 865, 322, 323,
&end
#
# 47 ILE HA 57 ILE HN 5.50 (# 460:15 Unique 3.47, 4.45 A)
&rst
ixpk= 460, nxpk= 15, iat= 699, 844, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:461 57 ILE HN 5.50 (# 461:15 Single Ambig)
&rst
ixpk= 461, nxpk= 15, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 836, 837, 750, 751,
&end
#
# 0 AMB 15-2:462 57 ILE HN 5.50 (# 462:15 Single Ambig)
&rst
ixpk= 462, nxpk= 15, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 848, 767, 768, 764, 765,
&end
#
# 57 ILE HG1- 57 ILE HN 2.80 (# 463:15 Unique 2.30, 2.67 A)
&rst
ixpk= 463, nxpk= 15, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 854, 855,
&end
#
# 57 ILE QG2 57 ILE HN 3.50 (# 464:15 Unique 3.19, 4.08 A)
&rst
ixpk= 464, nxpk= 15, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 850, 851, 852,
&end
#
# 47 ILE HG1- 57 ILE HN 3.50 (# 465:15 Unique 2.87, 4.46 A)
&rst
ixpk= 465, nxpk= 15, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 707, 708,
&end
#
# 57 ILE QD1 58 SER HN 5.50 (# 466:15 Unique 5.17, 5.88 A)
&rst
ixpk= 466, nxpk= 15, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 857, 858, 859,
&end
#
# 57 ILE HG1- 58 SER HN 4.50 (# 468:15 Unique 2.93, 3.75 A)
&rst
ixpk= 468, nxpk= 15, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 854, 855,
&end
#
# 0 AMB 15-2:470 58 SER HN 5.50 (# 470:15 Single Ambig)
&rst
ixpk= 470, nxpk= 15, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 885, 886, 848, 767, 768,
&end
#
# 58 SER HA 58 SER HN 3.50 (# 471:15 Unique 2.65, 2.80 A)
&rst
ixpk= 471, nxpk= 15, iat= 865, 863, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 ILE HA 58 SER HN 3.50 (# 473:15 Unique 3.07, 3.24 A)
&rst
ixpk= 473, nxpk= 15, iat= 846, 863, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 ILE HN 58 SER HN 3.50 (# 475:15 Unique 1.74, 1.95 A)
&rst
ixpk= 475, nxpk= 15, iat= 844, 863, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 GLN HN 59 GLY HN 3.50 (# 476:15 Unique 2.46, 2.76 A)
&rst
ixpk= 476, nxpk= 15, iat= 881, 874, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLY HA+ 59 GLY HN 3.50 (# 478:15 Unique 2.27, 2.64 A)
&rst
ixpk= 478, nxpk= 15, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 876, 877,
&end
#
# 58 SER HA 59 GLY HN 3.50 (# 479:15 Unique 2.18, 3.03 A)
&rst
ixpk= 479, nxpk= 15, iat= 865, 874, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLY HA- 59 GLY HN 3.50 (# 480:15 Unique 2.27, 2.64 A)
&rst
ixpk= 480, nxpk= 15, iat= -1, 874, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 876, 877,
&end
#
# 42 VAL MGX 60 GLN HN 3.50 (# 481:15 Unique 2.86, 4.93 A)
&rst
ixpk= 481, nxpk= 15, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 632, 633, 634, 636, 637, 638,
&end
#
# 59 GLY HA- 60 GLN HN 3.50 (# 482:15 Unique 2.70, 3.33 A)
&rst
ixpk= 482, nxpk= 15, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 876, 877,
&end
#
# 58 SER HA 60 GLN HN 4.50 (# 483:15 Unique 3.48, 3.99 A)
&rst
ixpk= 483, nxpk= 15, iat= 865, 881, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 THR HN 60 GLN HN 4.50 (# 486:15 Unique 2.81, 4.32 A)
&rst
ixpk= 486, nxpk= 15, iat= 898, 881, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 GLY HN 60 GLN HN 3.50 (# 487:15 Unique 2.46, 2.76 A)
&rst
ixpk= 487, nxpk= 15, iat= 874, 881, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 GLN HN 61 THR HN 5.50 (# 488:15 Unique 2.81, 4.32 A)
&rst
ixpk= 488, nxpk= 15, iat= 881, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 THR HA 61 THR HN 3.50 (# 490:15 Unique 2.78, 2.89 A)
&rst
ixpk= 490, nxpk= 15, iat= 900, 898, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 GLN HB+ 61 THR HN 3.50 (# 491:15 Unique 2.52, 3.86 A)
&rst
ixpk= 491, nxpk= 15, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 885, 886,
&end
#
# 60 GLN HB- 61 THR HN 4.50 (# 492:15 Unique 2.52, 3.86 A)
&rst
ixpk= 492, nxpk= 15, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 885, 886,
&end
#
# 61 THR MG2 61 THR HN 3.50 (# 493:15 Unique 2.12, 4.03 A)
&rst
ixpk= 493, nxpk= 15, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 904, 905, 906,
&end
#
# 127 ILE QD1 127 ILE HN 3.50 (# 494:15 Unique 3.53, 4.21 A)
&rst
ixpk= 494, nxpk= 15, iat= -1,1919, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1932,1933,1934,
&end
#
# 127 ILE HG1- 127 ILE HN 2.80 (# 495:15 Unique 2.13, 2.87 A)
&rst
ixpk= 495, nxpk= 15, iat= -1,1919, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1929,1930,
&end
#
# 0 AMB 15-2:496 127 ILE HN 4.50 (# 496:15 Single Ambig)
&rst
ixpk= 496, nxpk= 15, iat= -1,1919, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1980,1981,1942,1943,1944,
&end
#
# 126 LEU HB- 127 ILE HN 3.50 (# 497:15 Unique 2.21, 3.25 A)
&rst
ixpk= 497, nxpk= 15, iat= -1,1919, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1904,1905,
&end
#
# 126 LEU HB+ 127 ILE HN 4.50 (# 498:15 Unique 2.21, 3.25 A)
&rst
ixpk= 498, nxpk= 15, iat= -1,1919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1904,1905,
&end
#
# 127 ILE HA 127 ILE HN 3.50 (# 499:15 Unique 2.86, 2.88 A)
&rst
ixpk= 499, nxpk= 15, iat=1921,1919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 SER HB- 62 SER HN 3.50 (# 500:15 Unique 2.34, 3.65 A)
&rst
ixpk= 500, nxpk= 15, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 916, 917,
&end
#
# 128 ALA HN 127 ILE HN 3.50 (# 503:15 Unique 2.68, 2.72 A)
&rst
ixpk= 503, nxpk= 15, iat=1938,1919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 LEU HN 127 ILE HN 3.50 (# 504:15 Unique 2.81, 2.85 A)
&rst
ixpk= 504, nxpk= 15, iat=1900,1919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 ILE HN 66 GLU HN 4.50 (# 506:15 Unique 2.73, 2.84 A)
&rst
ixpk= 506, nxpk= 15, iat= 949, 968, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 GLU HA 66 GLU HN 3.50 (# 507:15 Unique 2.76, 2.82 A)
&rst
ixpk= 507, nxpk= 15, iat= 970, 968, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 ILE HA 66 GLU HN 3.50 (# 508:15 Unique 3.40, 3.44 A)
&rst
ixpk= 508, nxpk= 15, iat= 951, 968, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 VAL HA 119 VAL HN 5.50 (# 509:15 Unique 3.18, 3.41 A)
&rst
ixpk= 509, nxpk= 15, iat=1716,1778, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 VAL HA 119 VAL HN 3.50 (# 510:15 Unique 2.79, 2.83 A)
&rst
ixpk= 510, nxpk= 15, iat=1780,1778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 GLN HB- 119 VAL HN 3.50 (# 511:15 Unique 2.12, 2.79 A)
&rst
ixpk= 511, nxpk= 15, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1765,1766,
&end
#
# 118 GLN HB+ 119 VAL HN 2.80 (# 512:15 Unique 2.12, 2.79 A)
&rst
ixpk= 512, nxpk= 15, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1765,1766,
&end
#
# 0 AMB 15-2:513 0 AMB 15-1:513 4.50 (# 513:15 Double Ambig)
&rst
ixpk= 513, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 953,1503,1504,
igr2= 968,1778,
&end
#
# 0 AMB 15-2:514 0 AMB 15-1:514 4.50 (# 514:15 Double Ambig)
&rst
ixpk= 514, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1508,1509,1510,1512,1513,1514, 555, 556, 557, 559,
560, 561,1720,1721,1722,1724,1725,1726,
igr2=1778, 968,
&end
#
# 68 PHE HE 67 ASN HN 5.50 (# 515:15 Unique 4.06, 6.50 A)
&rst
ixpk= 515, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1007,1011,
&end
#
# 68 PHE HN 67 ASN HN 2.80 (# 516:15 Unique 2.57, 2.68 A)
&rst
ixpk= 516, nxpk= 15, iat= 997, 983, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 66 GLU HN 67 ASN HN 3.50 (# 517:15 Unique 2.39, 2.47 A)
&rst
ixpk= 517, nxpk= 15, iat= 968, 983, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 ASN HN 68 PHE HN 5.50 (# 518:15 Unique 4.39, 4.47 A)
&rst
ixpk= 518, nxpk= 15, iat=1017, 997, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 ASN HN 68 PHE HN 2.80 (# 519:15 Unique 2.57, 2.68 A)
&rst
ixpk= 519, nxpk= 15, iat= 983, 997, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:520 68 PHE HN 2.80 (# 520:15 Single Ambig)
&rst
ixpk= 520, nxpk= 15, iat= -1, 997, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1005,1013,1319,
&end
#
# 68 PHE HA 68 PHE HN 3.50 (# 521:15 Unique 2.91, 2.97 A)
&rst
ixpk= 521, nxpk= 15, iat= 999, 997, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:522 68 PHE HN 3.50 (# 522:15 Single Ambig)
&rst
ixpk= 522, nxpk= 15, iat= -1, 997, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 985, 970,
&end
#
# 65 ILE HA 68 PHE HN 4.50 (# 523:15 Unique 3.41, 3.67 A)
&rst
ixpk= 523, nxpk= 15, iat= 951, 997, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 PHE HB+ 68 PHE HN 3.50 (# 524:15 Unique 2.32, 3.11 A)
&rst
ixpk= 524, nxpk= 15, iat= -1, 997, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1001,1002,
&end
#
# 68 PHE HB- 68 PHE HN 3.50 (# 525:15 Unique 2.32, 3.11 A)
&rst
ixpk= 525, nxpk= 15, iat= -1, 997, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1001,1002,
&end
#
# 67 ASN HB+ 68 PHE HN 3.50 (# 526:15 Unique 3.02, 3.91 A)
&rst
ixpk= 526, nxpk= 15, iat= -1, 997, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 987, 988,
&end
#
# 0 AMB 15-2:527 68 PHE HN 5.50 (# 527:15 Single Ambig)
&rst
ixpk= 527, nxpk= 15, iat= -1, 997, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 959, 960, 92, 93, 94,
&end
#
# 68 PHE HB+ 69 ASN HN 4.50 (# 528:15 Unique 2.13, 2.90 A)
&rst
ixpk= 528, nxpk= 15, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1001,1002,
&end
#
# 73 TYR HE 69 ASN HN 4.50 (# 529:15 Unique 3.57, 6.01 A)
&rst
ixpk= 529, nxpk= 15, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1075,1080,
&end
#
# 0 AMB 15-2:530 69 ASN HN 4.50 (# 530:15 Single Ambig)
&rst
ixpk= 530, nxpk= 15, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1005,1013,1319,
&end
#
# 69 ASN HD2- 69 ASN HN 5.50 (# 531:15 Unique 4.04, 5.34 A)
&rst
ixpk= 531, nxpk= 15, iat= -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1026,1027,
&end
#
# 71 ASP HN 70 ALA HN 2.80 (# 532:15 Unique 2.16, 2.28 A)
&rst
ixpk= 532, nxpk= 15, iat=1041,1031, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:533 70 ALA HN 4.50 (# 533:15 Single Ambig)
&rst
ixpk= 533, nxpk= 15, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1372,1373,1005,1013,
&end
#
# 69 ASN HB+ 70 ALA HN 4.50 (# 534:15 Unique 2.31, 3.80 A)
&rst
ixpk= 534, nxpk= 15, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1021,1022,
&end
#
# 69 ASN HB- 70 ALA HN 4.50 (# 535:15 Unique 2.31, 3.80 A)
&rst
ixpk= 535, nxpk= 15, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1021,1022,
&end
#
# 70 ALA HA 70 ALA HN 2.80 (# 536:15 Unique 2.93, 2.94 A)
&rst
ixpk= 536, nxpk= 15, iat=1033,1031, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 70 ALA MB 71 ASP HN 3.50 (# 537:15 Unique 3.08, 3.91 A)
&rst
ixpk= 537, nxpk= 15, iat= -1,1041, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1035,1036,1037,
&end
#
# 69 ASN HB+ 71 ASP HN 5.50 (# 538:15 Unique 2.52, 3.84 A)
&rst
ixpk= 538, nxpk= 15, iat= -1,1041, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1021,1022,
&end
#
# 71 ASP HA 71 ASP HN 2.80 (# 539:15 Unique 2.74, 2.77 A)
&rst
ixpk= 539, nxpk= 15, iat=1043,1041, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 ASN HA 71 ASP HN 4.50 (# 540:15 Unique 3.70, 3.90 A)
&rst
ixpk= 540, nxpk= 15, iat=1019,1041, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 ALA HN 71 ASP HN 2.80 (# 541:15 Unique 2.16, 2.28 A)
&rst
ixpk= 541, nxpk= 15, iat=1031,1041, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 TYR HD 73 TYR HN 2.80 (# 542:15 Unique 2.77, 4.11 A)
&rst
ixpk= 542, nxpk= 15, iat= -1,1065, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1073,1082,
&end
#
# 73 TYR HA 73 TYR HN 2.80 (# 543:15 Unique 2.97, 2.98 A)
&rst
ixpk= 543, nxpk= 15, iat=1067,1065, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 TYR HB+ 73 TYR HN 2.80 (# 544:15 Unique 2.47, 3.16 A)
&rst
ixpk= 544, nxpk= 15, iat= -1,1065, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1069,1070,
&end
#
# 72 ASP HB- 72 ASP HN 3.50 (# 545:15 Unique 2.48, 2.57 A)
&rst
ixpk= 545, nxpk= 15, iat= -1,1053, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1057,1058,
&end
#
# 3 LYS HN 74 ASP HN 5.50 (# 546:15 Unique 2.53, 2.79 A)
&rst
ixpk= 546, nxpk= 15, iat= 43,1086, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 ASP HA 74 ASP HN 3.50 (# 547:15 Unique 2.82, 2.95 A)
&rst
ixpk= 547, nxpk= 15, iat=1088,1086, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ASP HB- 74 ASP HN 3.50 (# 548:15 Unique 2.37, 2.71 A)
&rst
ixpk= 548, nxpk= 15, iat= -1,1086, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1090,1091,
&end
#
# 73 TYR HB+ 74 ASP HN 3.50 (# 549:15 Unique 2.23, 3.43 A)
&rst
ixpk= 549, nxpk= 15, iat= -1,1086, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1069,1070,
&end
#
# 74 ASP HB+ 74 ASP HN 3.50 (# 550:15 Unique 2.37, 2.71 A)
&rst
ixpk= 550, nxpk= 15, iat= -1,1086, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1090,1091,
&end
#
# 3 LYS HB+ 74 ASP HN 4.50 (# 551:15 Unique 2.63, 3.85 A)
&rst
ixpk= 551, nxpk= 15, iat= -1,1086, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 47, 48,
&end
#
# 0 AMB 15-2:552 74 ASP HN 4.50 (# 552:15 Single Ambig)
&rst
ixpk= 552, nxpk= 15, iat= -1,1086, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 50, 51, 53, 54,
&end
#
# 4 VAL MGX 75 VAL HN 5.50 (# 553:15 Unique 3.84, 5.48 A)
&rst
ixpk= 553, nxpk= 15, iat= -1,1098, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 0 AMB 15-2:554 75 VAL HN 4.50 (# 554:15 Single Ambig)
&rst
ixpk= 554, nxpk= 15, iat= -1,1098, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 71, 72, 73, 75, 76, 77,1983,1984,1985,
&end
#
# 75 VAL MGX 75 VAL HN 3.50 (# 555:15 Unique 2.22, 3.85 A)
&rst
ixpk= 555, nxpk= 15, iat= -1,1098, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1104,1105,1106,1108,1109,1110,
&end
#
# 0 AMB 15-2:556 75 VAL HN 5.50 (# 556:15 Single Ambig)
&rst
ixpk= 556, nxpk= 15, iat= -1,1098, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 31, 32, 28, 29,
&end
#
# 0 AMB 15-2:557 75 VAL HN 5.50 (# 557:15 Single Ambig)
&rst
ixpk= 557, nxpk= 15, iat= -1,1098, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 69, 462,
&end
#
# 75 VAL HB 75 VAL HN 3.50 (# 558:15 Unique 2.54, 3.09 A)
&rst
ixpk= 558, nxpk= 15, iat=1102,1098, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ASP HB- 75 VAL HN 3.50 (# 559:15 Unique 2.59, 3.38 A)
&rst
ixpk= 559, nxpk= 15, iat= -1,1098, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1090,1091,
&end
#
# 73 TYR HB+ 75 VAL HN 4.50 (# 560:15 Unique 2.90, 3.85 A)
&rst
ixpk= 560, nxpk= 15, iat= -1,1098, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1069,1070,
&end
#
# 73 TYR HA 75 VAL HN 5.50 (# 561:15 Unique 3.58, 4.00 A)
&rst
ixpk= 561, nxpk= 15, iat=1067,1098, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 VAL HA 75 VAL HN 3.50 (# 562:15 Unique 2.95, 2.96 A)
&rst
ixpk= 562, nxpk= 15, iat=1100,1098, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 VAL HA 75 VAL HN 3.50 (# 563:15 Unique 3.03, 3.21 A)
&rst
ixpk= 563, nxpk= 15, iat= 67,1098, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:564 75 VAL HN 5.50 (# 564:15 Single Ambig)
&rst
ixpk= 564, nxpk= 15, iat= -1,1098, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 81,1130,
&end
#
# 3 LYS HN 75 VAL HN 5.50 (# 565:15 Unique 3.73, 4.05 A)
&rst
ixpk= 565, nxpk= 15, iat= 43,1098, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 VAL HB 76 VAL HN 3.50 (# 567:15 Unique 2.67, 2.74 A)
&rst
ixpk= 567, nxpk= 15, iat=1118,1114, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 GLN HB- 76 VAL HN 3.50 (# 568:15 Unique 2.87, 3.54 A)
&rst
ixpk= 568, nxpk= 15, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1364,1365,
&end
#
# 75 VAL HB 76 VAL HN 5.50 (# 569:15 Unique 3.78, 3.91 A)
&rst
ixpk= 569, nxpk= 15, iat=1102,1114, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:570 76 VAL HN 3.50 (# 570:15 Single Ambig)
&rst
ixpk= 570, nxpk= 15, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1120,1121,1122,1124,1125,1126,1402,1403,
&end
#
# 76 VAL MGX 76 VAL HN 4.50 (# 571:15 Unique 3.23, 4.41 A)
&rst
ixpk= 571, nxpk= 15, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1120,1121,1122,1124,1125,1126,
&end
#
# 75 VAL MGY 76 VAL HN 2.80 (# 572:15 Unique 2.52, 4.31 A)
&rst
ixpk= 572, nxpk= 15, iat= -1,1114, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1104,1105,1106,1108,1109,1110,
&end
#
# 77 ILE QG2 79 LEU HN 5.50 (# 573:15 Unique 2.18, 4.89 A)
&rst
ixpk= 573, nxpk= 15, iat= -1,1160, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1136,1137,1138,
&end
#
# 77 ILE QD1 77 ILE HN 5.50 (# 574:15 Unique 3.65, 4.70 A)
&rst
ixpk= 574, nxpk= 15, iat= -1,1130, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1143,1144,1145,
&end
#
# 77 ILE HG1+ 77 ILE HN 4.50 (# 575:15 Unique 2.46, 3.42 A)
&rst
ixpk= 575, nxpk= 15, iat= -1,1130, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1140,1141,
&end
#
# 76 VAL MGX 77 ILE HN 3.50 (# 577:15 Unique 2.59, 4.13 A)
&rst
ixpk= 577, nxpk= 15, iat= -1,1130, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1120,1121,1122,1124,1125,1126,
&end
#
# 76 VAL MGY 77 ILE HN 4.50 (# 578:15 Unique 2.59, 4.13 A)
&rst
ixpk= 578, nxpk= 15, iat= -1,1130, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1120,1121,1122,1124,1125,1126,
&end
#
# 77 ILE HB 77 ILE HN 2.80 (# 579:15 Unique 2.46, 2.53 A)
&rst
ixpk= 579, nxpk= 15, iat=1134,1130, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:580 0 AMB 15-1:580 3.50 (# 580:15 Double Ambig)
&rst
ixpk= 580, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 927, 928, 138, 139, 85, 86,
igr2= 923,1160,1130,
&end
#
# 77 ILE HA 0 AMB 15-1:581 4.50 (# 581:15 Single Ambig)
&rst
ixpk= 581, nxpk= 15, iat=1132, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1130,1160,
&end
#
# 36 GLY HA- 37 LEU HN 3.50 (# 585:15 Unique 2.30, 2.59 A)
&rst
ixpk= 585, nxpk= 15, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 541, 542,
&end
#
# 117 GLY HA- 120 LYS HN 5.50 (# 586:15 Unique 3.53, 4.38 A)
&rst
ixpk= 586, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1756,1757,
&end
#
# 86 LEU HB- 86 LEU HN 5.50 (# 589:15 Unique 2.40, 3.06 A)
&rst
ixpk= 589, nxpk= 15, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1248,1249,
&end
#
# 86 LEU HB+ 86 LEU HN 3.50 (# 590:15 Unique 2.40, 3.06 A)
&rst
ixpk= 590, nxpk= 15, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1248,1249,
&end
#
# 86 LEU HA 86 LEU HN 5.50 (# 591:15 Unique 2.73, 2.92 A)
&rst
ixpk= 591, nxpk= 15, iat=1246,1244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 GLU HB+ 89 GLU HN 3.50 (# 593:15 Unique 2.39, 3.06 A)
&rst
ixpk= 593, nxpk= 15, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1295,1296,
&end
#
# 89 GLU HB- 89 GLU HN 3.50 (# 594:15 Unique 2.39, 3.06 A)
&rst
ixpk= 594, nxpk= 15, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1295,1296,
&end
#
# 89 GLU HG+ 89 GLU HN 3.50 (# 595:15 Unique 1.80, 2.97 A)
&rst
ixpk= 595, nxpk= 15, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1298,1299,
&end
#
# 87 PRO HG+ 89 GLU HN 5.50 (# 596:15 Unique 4.10, 5.81 A)
&rst
ixpk= 596, nxpk= 15, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1267,1268,
&end
#
# 89 GLU HA 89 GLU HN 3.50 (# 597:15 Unique 2.73, 2.81 A)
&rst
ixpk= 597, nxpk= 15, iat=1293,1291, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 PRO HA 89 GLU HN 5.50 (# 598:15 Unique 3.45, 3.57 A)
&rst
ixpk= 598, nxpk= 15, iat=1287,1291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 TRP HN 89 GLU HN 3.50 (# 599:15 Unique 2.75, 2.83 A)
&rst
ixpk= 599, nxpk= 15, iat=1306,1291, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 GLU HN 90 TRP HN 3.50 (# 600:15 Unique 2.75, 2.83 A)
&rst
ixpk= 600, nxpk= 15, iat=1291,1306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HA 90 TRP HN 3.50 (# 601:15 Unique 2.90, 2.92 A)
&rst
ixpk= 601, nxpk= 15, iat=1308,1306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HB+ 90 TRP HN 3.50 (# 602:15 Unique 2.29, 2.96 A)
&rst
ixpk= 602, nxpk= 15, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1310,1311,
&end
#
# 89 GLU HG+ 90 TRP HN 3.50 (# 603:15 Unique 2.74, 3.31 A)
&rst
ixpk= 603, nxpk= 15, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1298,1299,
&end
#
# 89 GLU HB+ 90 TRP HN 4.50 (# 604:15 Unique 2.30, 4.20 A)
&rst
ixpk= 604, nxpk= 15, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1295,1296,
&end
#
# 91 VAL MGY 90 TRP HN 4.50 (# 605:15 Unique 3.57, 5.10 A)
&rst
ixpk= 605, nxpk= 15, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 70 ALA MB 90 TRP HN 5.50 (# 606:15 Unique 3.70, 4.46 A)
&rst
ixpk= 606, nxpk= 15, iat= -1,1306, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1035,1036,1037,
&end
#
# 70 ALA MB 90 TRP HE1 5.50 (# 607:15 Unique 3.67, 5.08 A)
&rst
ixpk= 607, nxpk= 15, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1035,1036,1037,
&end
#
# 65 ILE HG1+ 90 TRP HE1 3.50 (# 608:15 Unique 2.77, 4.08 A)
&rst
ixpk= 608, nxpk= 15, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 959, 960,
&end
#
# 65 ILE HG1- 90 TRP HE1 5.50 (# 609:15 Unique 2.77, 4.08 A)
&rst
ixpk= 609, nxpk= 15, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 959, 960,
&end
#
# 89 GLU HG+ 90 TRP HE1 5.50 (# 610:15 Unique 3.44, 4.06 A)
&rst
ixpk= 610, nxpk= 15, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1298,1299,
&end
#
# 87 PRO HG+ 90 TRP HE1 5.50 (# 611:15 Unique 2.80, 3.93 A)
&rst
ixpk= 611, nxpk= 15, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1267,1268,
&end
#
# 90 TRP HB+ 90 TRP HE1 5.50 (# 612:15 Unique 4.78, 5.04 A)
&rst
ixpk= 612, nxpk= 15, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1310,1311,
&end
#
# 90 TRP HB- 90 TRP HE1 5.50 (# 613:15 Unique 4.78, 5.04 A)
&rst
ixpk= 613, nxpk= 15, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1310,1311,
&end
#
# 90 TRP HD1 90 TRP HE1 3.50 (# 614:15 Unique 2.56, 2.57 A)
&rst
ixpk= 614, nxpk= 15, iat=1314,1316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HZ2 90 TRP HE1 3.50 (# 615:15 Unique 2.88, 2.90 A)
&rst
ixpk= 615, nxpk= 15, iat=1319,1316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HN 91 VAL HN 3.50 (# 616:15 Unique 2.29, 2.47 A)
&rst
ixpk= 616, nxpk= 15, iat=1306,1330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HB- 91 VAL HN 4.50 (# 618:15 Unique 2.41, 3.15 A)
&rst
ixpk= 618, nxpk= 15, iat= -1,1330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1310,1311,
&end
#
# 91 VAL HB 91 VAL HN 4.50 (# 619:15 Unique 3.60, 3.63 A)
&rst
ixpk= 619, nxpk= 15, iat=1334,1330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL MGY 91 VAL HN 2.80 (# 620:15 Unique 2.01, 3.13 A)
&rst
ixpk= 620, nxpk= 15, iat= -1,1330, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 92 THR MG2 91 VAL HN 5.50 (# 621:15 Unique 3.65, 5.03 A)
&rst
ixpk= 621, nxpk= 15, iat= -1,1330, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1352,1353,1354,
&end
#
# 91 VAL MGX 91 VAL HN 3.50 (# 622:15 Unique 2.01, 3.13 A)
&rst
ixpk= 622, nxpk= 15, iat= -1,1330, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 91 VAL MGY 92 THR HN 4.50 (# 623:15 Unique 3.32, 4.68 A)
&rst
ixpk= 623, nxpk= 15, iat= -1,1346, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1336,1337,1338,1340,1341,1342,
&end
#
# 92 THR MG2 92 THR HN 3.50 (# 624:15 Unique 2.29, 3.36 A)
&rst
ixpk= 624, nxpk= 15, iat= -1,1346, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1352,1353,1354,
&end
#
# 93 GLN HN 92 THR HN 4.50 (# 627:15 Unique 2.64, 2.99 A)
&rst
ixpk= 627, nxpk= 15, iat=1360,1346, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LYS HG- 120 LYS HN 5.50 (# 628:15 Unique 4.30, 4.46 A)
&rst
ixpk= 628, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1801,1802,
&end
#
# 120 LYS HB+ 120 LYS HN 2.80 (# 629:15 Unique 2.33, 2.52 A)
&rst
ixpk= 629, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1798,1799,
&end
#
# 119 VAL MGX 120 LYS HN 3.50 (# 631:15 Unique 3.24, 4.58 A)
&rst
ixpk= 631, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 93 GLN HG- 93 GLN HN 4.50 (# 633:15 Unique 2.51, 3.48 A)
&rst
ixpk= 633, nxpk= 15, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1367,1368,
&end
#
# 92 THR HN 93 GLN HN 3.50 (# 634:15 Unique 2.64, 2.99 A)
&rst
ixpk= 634, nxpk= 15, iat=1346,1360, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:635 120 LYS HN 3.50 (# 635:15 Single Ambig)
&rst
ixpk= 635, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1816, 337, 341,
&end
#
# 119 VAL HN 120 LYS HN 3.50 (# 636:15 Unique 2.62, 2.92 A)
&rst
ixpk= 636, nxpk= 15, iat=1778,1794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 GLN HN 93 GLN HE2+ 5.50 (# 637:15 Unique 2.47, 4.53 A)
&rst
ixpk= 637, nxpk= 15, iat=1360, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1372,1373,
&end
#
# 0 AMB 15-2:638 93 GLN HE2- 3.50 (# 638:15 Single Ambig)
&rst
ixpk= 638, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1043,1308,
igr2=1372,1373,
&end
#
# 0 AMB 15-2:639 0 AMB 15-1:639 3.50 (# 639:15 Double Ambig)
&rst
ixpk= 639, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1043,1308,
igr2=1372,1373,1372,1373,
&end
#
# 89 GLU HA 93 GLN HE2+ 5.50 (# 640:15 Unique 3.38, 4.24 A)
&rst
ixpk= 640, nxpk= 15, iat=1293, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1372,1373,
&end
#
# 93 GLN HG+ 93 GLN HE2+ 3.50 (# 641:15 Unique 2.20, 3.27 A)
&rst
ixpk= 641, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1367,1368,
igr2=1372,1373,
&end
#
# 93 GLN HG+ 93 GLN HE2- 3.50 (# 642:15 Unique 2.20, 3.27 A)
&rst
ixpk= 642, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1367,1368,
igr2=1372,1373,
&end
#
# 93 GLN HG- 93 GLN HE2- 4.50 (# 643:15 Unique 2.20, 3.27 A)
&rst
ixpk= 643, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1367,1368,
igr2=1372,1373,
&end
#
# 89 GLU HB- 93 GLN HE2+ 4.50 (# 644:15 Unique 2.74, 4.31 A)
&rst
ixpk= 644, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1295,1296,
igr2=1372,1373,
&end
#
# 89 GLU HB- 93 GLN HE2- 5.50 (# 645:15 Unique 2.74, 4.31 A)
&rst
ixpk= 645, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1295,1296,
igr2=1372,1373,
&end
#
# 89 GLU HB+ 93 GLN HE2+ 5.50 (# 646:15 Unique 2.74, 4.31 A)
&rst
ixpk= 646, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1295,1296,
igr2=1372,1373,
&end
#
# 89 GLU HB+ 93 GLN HE2- 5.50 (# 647:15 Unique 2.74, 4.31 A)
&rst
ixpk= 647, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1295,1296,
igr2=1372,1373,
&end
#
# 70 ALA MB 93 GLN HE2+ 3.50 (# 648:15 Unique 2.29, 3.33 A)
&rst
ixpk= 648, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1035,1036,1037,
igr2=1372,1373,
&end
#
# 70 ALA MB 93 GLN HE2- 3.50 (# 649:15 Unique 2.29, 3.33 A)
&rst
ixpk= 649, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1035,1036,1037,
igr2=1372,1373,
&end
#
# 74 ASP HA 94 GLU HN 5.50 (# 651:15 Unique 3.27, 3.73 A)
&rst
ixpk= 651, nxpk= 15, iat=1088,1377, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ILE HN 94 GLU HN 3.50 (# 652:15 Unique 2.31, 2.70 A)
&rst
ixpk= 652, nxpk= 15, iat=1392,1377, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 GLU HN 95 ILE HN 4.50 (# 653:15 Unique 2.31, 2.70 A)
&rst
ixpk= 653, nxpk= 15, iat=1377,1392, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 ILE HA 95 ILE HN 4.50 (# 654:15 Unique 2.88, 2.91 A)
&rst
ixpk= 654, nxpk= 15, iat=1394,1392, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 VAL HA 95 ILE HN 5.50 (# 655:15 Unique 3.01, 3.21 A)
&rst
ixpk= 655, nxpk= 15, iat=1100,1392, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 GLU HA 95 ILE HN 5.50 (# 656:15 Unique 3.30, 3.45 A)
&rst
ixpk= 656, nxpk= 15, iat=1379,1392, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 GLU HG+ 95 ILE HN 4.50 (# 657:15 Unique 3.43, 4.88 A)
&rst
ixpk= 657, nxpk= 15, iat= -1,1392, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1384,1385,
&end
#
# 94 GLU HB- 95 ILE HN 5.50 (# 658:15 Unique 3.01, 3.59 A)
&rst
ixpk= 658, nxpk= 15, iat= -1,1392, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1381,1382,
&end
#
# 0 AMB 15-2:659 95 ILE HN 3.50 (# 659:15 Single Ambig)
&rst
ixpk= 659, nxpk= 15, iat= -1,1392, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1364,1365,1396,
&end
#
# 95 ILE QG2 95 ILE HN 4.50 (# 660:15 Unique 2.52, 3.17 A)
&rst
ixpk= 660, nxpk= 15, iat= -1,1392, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1398,1399,1400,
&end
#
# 0 AMB 15-2:661 96 PHE HN 4.50 (# 661:15 Single Ambig)
&rst
ixpk= 661, nxpk= 15, iat= -1,1411, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1398,1399,1400,1405,1406,1407,1104,1105,1106,1108,
1109,1110,
&end
#
# 95 ILE HG1- 96 PHE HN 5.50 (# 662:15 Unique 2.26, 2.81 A)
&rst
ixpk= 662, nxpk= 15, iat= -1,1411, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1402,1403,
&end
#
# 96 PHE HB- 96 PHE HN 4.50 (# 663:15 Unique 2.40, 3.14 A)
&rst
ixpk= 663, nxpk= 15, iat= -1,1411, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1415,1416,
&end
#
# 96 PHE HB+ 96 PHE HN 4.50 (# 664:15 Unique 2.40, 3.14 A)
&rst
ixpk= 664, nxpk= 15, iat= -1,1411, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1415,1416,
&end
#
# 99 TRP HZ3 98 ASP HN 5.50 (# 665:15 Unique 3.60, 5.07 A)
&rst
ixpk= 665, nxpk= 15, iat=1475,1446, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 ASP HA 98 ASP HN 3.50 (# 667:15 Unique 2.69, 2.80 A)
&rst
ixpk= 667, nxpk= 15, iat=1448,1446, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 ASP HB- 98 ASP HN 3.50 (# 668:15 Unique 2.78, 3.40 A)
&rst
ixpk= 668, nxpk= 15, iat= -1,1446, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1450,1451,
&end
#
# 98 ASP HB+ 98 ASP HN 3.50 (# 669:15 Unique 2.78, 3.40 A)
&rst
ixpk= 669, nxpk= 15, iat= -1,1446, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1450,1451,
&end
#
# 97 GLU HG+ 98 ASP HN 4.50 (# 670:15 Unique 3.93, 4.72 A)
&rst
ixpk= 670, nxpk= 15, iat= -1,1446, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1438,1439,
&end
#
# 0 AMB 15-2:671 99 TRP HN 5.50 (# 671:15 Single Ambig)
&rst
ixpk= 671, nxpk= 15, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1435,1436,1486,1487,
&end
#
# 99 TRP HB- 99 TRP HN 4.50 (# 672:15 Unique 2.41, 3.29 A)
&rst
ixpk= 672, nxpk= 15, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1462,1463,
&end
#
# 99 TRP HB+ 99 TRP HN 3.50 (# 673:15 Unique 2.41, 3.29 A)
&rst
ixpk= 673, nxpk= 15, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1462,1463,
&end
#
# 78 SER HB+ 99 TRP HN 5.50 (# 674:15 Unique 4.44, 5.67 A)
&rst
ixpk= 674, nxpk= 15, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1153,1154,
&end
#
# 0 AMB 15-2:675 99 TRP HN 3.50 (# 675:15 Single Ambig)
&rst
ixpk= 675, nxpk= 15, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1162,1460,
&end
#
# 99 TRP HD1 99 TRP HN 5.50 (# 676:15 Unique 3.91, 4.69 A)
&rst
ixpk= 676, nxpk= 15, iat=1466,1458, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 SER HN 99 TRP HN 5.50 (# 677:15 Unique 4.09, 5.16 A)
&rst
ixpk= 677, nxpk= 15, iat=1149,1458, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HZ2 99 TRP HE1 5.50 (# 678:15 Unique 2.85, 2.90 A)
&rst
ixpk= 678, nxpk= 15, iat=1471,1468, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HD1 99 TRP HE1 4.50 (# 679:15 Unique 2.54, 2.56 A)
&rst
ixpk= 679, nxpk= 15, iat=1466,1468, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ILE QD1 99 TRP HE1 5.50 (# 680:15 Unique 3.45, 6.24 A)
&rst
ixpk= 680, nxpk= 15, iat= -1,1468, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1143,1144,1145,
&end
#
# 97 GLU HB- 99 TRP HE1 5.50 (# 681:15 Unique 2.76, 3.95 A)
&rst
ixpk= 681, nxpk= 15, iat= -1,1468, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1435,1436,
&end
#
# 97 GLU HB+ 99 TRP HE1 4.50 (# 682:15 Unique 2.76, 3.95 A)
&rst
ixpk= 682, nxpk= 15, iat= -1,1468, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1435,1436,
&end
#
# 101 LEU HA 101 LEU HN 4.50 (# 683:15 Unique 2.87, 2.95 A)
&rst
ixpk= 683, nxpk= 15, iat=1501,1499, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 101 LEU HG 101 LEU HN 4.50 (# 684:15 Unique 3.76, 4.30 A)
&rst
ixpk= 684, nxpk= 15, iat=1506,1499, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 LEU MDY 27 ALA HN 5.50 (# 686:15 Unique 5.99, 7.24 A)
&rst
ixpk= 686, nxpk= 15, iat= -1, 419, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 402, 403, 404, 406, 407, 408,
&end
#
# 101 LEU HB- 101 LEU HN 5.50 (# 687:15 Unique 2.08, 3.03 A)
&rst
ixpk= 687, nxpk= 15, iat= -1,1499, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1503,1504,
&end
#
# 101 LEU HB- 102 GLU HN 3.50 (# 688:15 Unique 2.61, 3.61 A)
&rst
ixpk= 688, nxpk= 15, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1503,1504,
&end
#
# 102 GLU HG- 102 GLU HN 2.80 (# 689:15 Unique 2.18, 3.24 A)
&rst
ixpk= 689, nxpk= 15, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1525,1526,
&end
#
# 101 LEU HN 102 GLU HN 5.50 (# 690:15 Unique 4.27, 4.52 A)
&rst
ixpk= 690, nxpk= 15, iat=1499,1518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 ASP HN 102 GLU HN 5.50 (# 691:15 Unique 2.51, 3.67 A)
&rst
ixpk= 691, nxpk= 15, iat=1533,1518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 GLU HN 103 ASP HN 5.50 (# 692:15 Unique 2.51, 3.67 A)
&rst
ixpk= 692, nxpk= 15, iat=1518,1533, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PRO HD+ 103 ASP HN 5.50 (# 693:15 Unique 3.14, 4.45 A)
&rst
ixpk= 693, nxpk= 15, iat= -1,1533, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1546,1547,
&end
#
# 104 PRO HB+ 105 ASP HN 5.50 (# 694:15 Unique 3.95, 4.47 A)
&rst
ixpk= 694, nxpk= 15, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1552,1553,
&end
#
# 115 VAL MGY 105 ASP HN 5.50 (# 695:15 Unique 5.37, 6.82 A)
&rst
ixpk= 695, nxpk= 15, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1720,1721,1722,1724,1725,1726,
&end
#
# 0 AMB 15-2:696 105 ASP HN 4.50 (# 696:15 Single Ambig)
&rst
ixpk= 696, nxpk= 15, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1549,1550,1552,1553,
&end
#
# 104 PRO HG+ 105 ASP HN 3.50 (# 697:15 Unique 3.02, 4.12 A)
&rst
ixpk= 697, nxpk= 15, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1549,1550,
&end
#
# 105 ASP HB- 105 ASP HN 3.50 (# 699:15 Unique 2.27, 2.51 A)
&rst
ixpk= 699, nxpk= 15, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1563,1564,
&end
#
# 103 ASP HB+ 105 ASP HN 5.50 (# 700:15 Unique 3.40, 4.40 A)
&rst
ixpk= 700, nxpk= 15, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1537,1538,
&end
#
# 104 PRO HD+ 105 ASP HN 3.50 (# 701:15 Unique 2.74, 3.68 A)
&rst
ixpk= 701, nxpk= 15, iat= -1,1559, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1546,1547,
&end
#
# 103 ASP HA 105 ASP HN 4.50 (# 702:15 Unique 3.51, 4.06 A)
&rst
ixpk= 702, nxpk= 15, iat=1535,1559, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:705 106 GLY HN 3.50 (# 705:15 Single Ambig)
&rst
ixpk= 705, nxpk= 15, iat= -1,1571, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1561,1573,1574,
&end
#
# 106 GLY HA- 106 GLY HN 5.50 (# 706:15 Unique 2.25, 2.58 A)
&rst
ixpk= 706, nxpk= 15, iat= -1,1571, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1573,1574,
&end
#
# 107 GLN HG+ 107 GLN HN 3.50 (# 707:15 Unique 2.31, 3.02 A)
&rst
ixpk= 707, nxpk= 15, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1585,1586,
&end
#
# 106 GLY HA- 107 GLN HN 3.50 (# 708:15 Unique 3.04, 3.37 A)
&rst
ixpk= 708, nxpk= 15, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1573,1574,
&end
#
# 0 AMB 15-2:709 107 GLN HN 3.50 (# 709:15 Single Ambig)
&rst
ixpk= 709, nxpk= 15, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1573,1574,1561,
&end
#
# 107 GLN HA 107 GLN HN 3.50 (# 710:15 Unique 2.94, 2.96 A)
&rst
ixpk= 710, nxpk= 15, iat=1580,1578, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:711 107 GLN HN 5.50 (# 711:15 Single Ambig)
&rst
ixpk= 711, nxpk= 15, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1666,1670, 655,
&end
#
# 106 GLY HN 107 GLN HN 5.50 (# 712:15 Unique 2.60, 2.80 A)
&rst
ixpk= 712, nxpk= 15, iat=1571,1578, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 GLN HN 107 GLN HE2+ 5.50 (# 713:15 Unique 3.76, 5.35 A)
&rst
ixpk= 713, nxpk= 15, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1590,1591,
&end
#
# 104 PRO HA 107 GLN HE2+ 3.50 (# 717:15 Unique 2.17, 3.86 A)
&rst
ixpk= 717, nxpk= 15, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1590,1591,
&end
#
# 104 PRO HA 107 GLN HE2- 4.50 (# 718:15 Unique 2.17, 3.86 A)
&rst
ixpk= 718, nxpk= 15, iat=1555, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1590,1591,
&end
#
# 107 GLN HG+ 107 GLN HE2+ 2.80 (# 719:15 Unique 2.21, 3.18 A)
&rst
ixpk= 719, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1585,1586,
igr2=1590,1591,
&end
#
# 107 GLN HG+ 107 GLN HE2- 4.50 (# 720:15 Unique 2.21, 3.18 A)
&rst
ixpk= 720, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1585,1586,
igr2=1590,1591,
&end
#
# 107 GLN HG- 107 GLN HE2- 3.50 (# 721:15 Unique 2.21, 3.18 A)
&rst
ixpk= 721, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1585,1586,
igr2=1590,1591,
&end
#
# 111 VAL MGY 107 GLN HE2+ 5.50 (# 722:15 Unique 2.60, 5.19 A)
&rst
ixpk= 722, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1590,1591,
&end
#
# 111 VAL MGY 107 GLN HE2- 5.50 (# 723:15 Unique 2.60, 5.19 A)
&rst
ixpk= 723, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1590,1591,
&end
#
# 111 VAL MGX 107 GLN HE2+ 4.50 (# 724:15 Unique 2.60, 5.19 A)
&rst
ixpk= 724, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1590,1591,
&end
#
# 111 VAL MGX 107 GLN HE2- 4.50 (# 725:15 Unique 2.60, 5.19 A)
&rst
ixpk= 725, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1646,1647,1648,1650,1651,1652,
igr2=1590,1591,
&end
#
# 111 VAL MGX 108 SER HN 4.50 (# 726:15 Unique 2.84, 4.88 A)
&rst
ixpk= 726, nxpk= 15, iat= -1,1595, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 111 VAL MGY 108 SER HN 3.50 (# 727:15 Unique 2.84, 4.88 A)
&rst
ixpk= 727, nxpk= 15, iat= -1,1595, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 0 AMB 15-2:728 108 SER HN 5.50 (# 728:15 Single Ambig)
&rst
ixpk= 728, nxpk= 15, iat= -1,1595, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1606,1571,
&end
#
# 110 GLU HN 109 LEU HN 3.50 (# 729:15 Unique 2.71, 2.90 A)
&rst
ixpk= 729, nxpk= 15, iat=1625,1606, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 SER HB+ 109 LEU HN 4.50 (# 731:15 Unique 2.43, 3.12 A)
&rst
ixpk= 731, nxpk= 15, iat= -1,1606, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1599,1600,
&end
#
# 109 LEU HB- 109 LEU HN 3.50 (# 732:15 Unique 2.01, 2.74 A)
&rst
ixpk= 732, nxpk= 15, iat= -1,1606, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1610,1611,
&end
#
# 109 LEU MDY 109 LEU HN 3.50 (# 733:15 Unique 1.87, 4.47 A)
&rst
ixpk= 733, nxpk= 15, iat= -1,1606, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1615,1616,1617,1619,1620,1621,
&end
#
# 109 LEU MDX 109 LEU HN 4.50 (# 734:15 Unique 1.87, 4.47 A)
&rst
ixpk= 734, nxpk= 15, iat= -1,1606, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1615,1616,1617,1619,1620,1621,
&end
#
# 111 VAL MGX 111 VAL HN 3.50 (# 735:15 Unique 2.05, 3.76 A)
&rst
ixpk= 735, nxpk= 15, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 0 AMB 15-2:736 111 VAL HN 3.50 (# 736:15 Single Ambig)
&rst
ixpk= 736, nxpk= 15, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1599,1600,1627,
&end
#
# 108 SER HB- 111 VAL HN 4.50 (# 737:15 Unique 2.84, 3.91 A)
&rst
ixpk= 737, nxpk= 15, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1599,1600,
&end
#
# 113 ARG HN 111 VAL HN 5.50 (# 739:15 Unique 3.97, 4.10 A)
&rst
ixpk= 739, nxpk= 15, iat=1676,1640, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 PRO HB+ 112 PHE HN 5.50 (# 740:15 Unique 2.80, 3.31 A)
&rst
ixpk= 740, nxpk= 15, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1552,1553,
&end
#
# 111 VAL MGX 112 PHE HN 3.50 (# 741:15 Unique 3.95, 4.74 A)
&rst
ixpk= 741, nxpk= 15, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 115 VAL MGY 114 THR HN 4.50 (# 742:15 Unique 4.39, 6.33 A)
&rst
ixpk= 742, nxpk= 15, iat= -1,1700, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1720,1721,1722,1724,1725,1726,
&end
#
# 111 VAL MGY 112 PHE HN 3.50 (# 743:15 Unique 3.95, 4.74 A)
&rst
ixpk= 743, nxpk= 15, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 112 PHE HB- 112 PHE HN 3.50 (# 744:15 Unique 2.39, 3.07 A)
&rst
ixpk= 744, nxpk= 15, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1660,1661,
&end
#
# 109 LEU HA 112 PHE HN 3.50 (# 745:15 Unique 2.95, 3.25 A)
&rst
ixpk= 745, nxpk= 15, iat=1608,1656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 PHE HD 112 PHE HN 3.50 (# 747:15 Unique 1.71, 3.56 A)
&rst
ixpk= 747, nxpk= 15, iat= -1,1656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1664,1672,
&end
#
# 115 VAL HN 114 THR HN 2.80 (# 748:15 Unique 2.69, 2.74 A)
&rst
ixpk= 748, nxpk= 15, iat=1714,1700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:749 113 ARG HN 3.50 (# 749:15 Single Ambig)
&rst
ixpk= 749, nxpk= 15, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1656,1700,
&end
#
# 113 ARG HA 113 ARG HN 3.50 (# 750:15 Unique 2.83, 2.86 A)
&rst
ixpk= 750, nxpk= 15, iat=1678,1676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 PHE HB+ 113 ARG HN 4.50 (# 751:15 Unique 2.30, 2.96 A)
&rst
ixpk= 751, nxpk= 15, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1660,1661,
&end
#
# 0 AMB 15-2:752 113 ARG HN 5.50 (# 752:15 Single Ambig)
&rst
ixpk= 752, nxpk= 15, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1660,1661,1686,1687,
&end
#
# 113 ARG HG+ 113 ARG HN 3.50 (# 753:15 Unique 2.27, 3.03 A)
&rst
ixpk= 753, nxpk= 15, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1683,1684,
&end
#
# 113 ARG HB+ 113 ARG HN 3.50 (# 754:15 Unique 2.28, 2.95 A)
&rst
ixpk= 754, nxpk= 15, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1680,1681,
&end
#
# 113 ARG HG- 113 ARG HN 4.50 (# 755:15 Unique 2.27, 3.03 A)
&rst
ixpk= 755, nxpk= 15, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1683,1684,
&end
#
# 114 THR MG2 114 THR HN 3.50 (# 756:15 Unique 4.07, 4.33 A)
&rst
ixpk= 756, nxpk= 15, iat= -1,1700, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1706,1707,1708,
&end
#
# 113 ARG HB+ 114 THR HN 2.80 (# 757:15 Unique 2.67, 3.24 A)
&rst
ixpk= 757, nxpk= 15, iat= -1,1700, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1680,1681,
&end
#
# 0 AMB 15-2:758 0 AMB 15-1:758 4.50 (# 758:15 Double Ambig)
&rst
ixpk= 758, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1582,1583,1585,1586,1629,1630,
igr2=1656,1700,
&end
#
# 114 THR HN 115 VAL HN 3.50 (# 759:15 Unique 2.69, 2.74 A)
&rst
ixpk= 759, nxpk= 15, iat=1700,1714, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:760 115 VAL HN 4.50 (# 760:15 Single Ambig)
&rst
ixpk= 760, nxpk= 15, iat= -1,1714, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1702,1546,1547,
&end
#
# 118 GLN HB+ 115 VAL HN 5.50 (# 761:15 Unique 4.62, 5.87 A)
&rst
ixpk= 761, nxpk= 15, iat= -1,1714, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1765,1766,
&end
#
# 114 THR MG2 115 VAL HN 3.50 (# 762:15 Unique 2.97, 3.99 A)
&rst
ixpk= 762, nxpk= 15, iat= -1,1714, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1706,1707,1708,
&end
#
# 0 AMB 15-2:763 115 VAL HN 4.50 (# 763:15 Single Ambig)
&rst
ixpk= 763, nxpk= 15, iat= -1,1714, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1646,1647,1648,1650,1651,1652,1552,1553,1549,1550,
&end
#
# 111 VAL MGX 115 VAL HN 4.50 (# 764:15 Unique 4.00, 5.80 A)
&rst
ixpk= 764, nxpk= 15, iat= -1,1714, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1646,1647,1648,1650,1651,1652,
&end
#
# 116 ARG HA 116 ARG HN 4.50 (# 765:15 Unique 2.82, 2.85 A)
&rst
ixpk= 765, nxpk= 15, iat=1732,1730, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 ARG HN 117 GLY HN 3.50 (# 766:15 Unique 2.74, 2.91 A)
&rst
ixpk= 766, nxpk= 15, iat=1730,1754, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 VAL HN 117 GLY HN 5.50 (# 767:15 Unique 4.12, 4.53 A)
&rst
ixpk= 767, nxpk= 15, iat=1714,1754, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 ARG HB- 117 GLY HN 3.50 (# 768:15 Unique 2.41, 3.06 A)
&rst
ixpk= 768, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1734,1735,
&end
#
# 116 ARG HB+ 117 GLY HN 3.50 (# 769:15 Unique 2.41, 3.06 A)
&rst
ixpk= 769, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1734,1735,
&end
#
# 0 AMB 15-2:770 117 GLY HN 5.50 (# 770:15 Single Ambig)
&rst
ixpk= 770, nxpk= 15, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
&end
#
# 0 AMB 15-2:771 118 GLN HN 4.50 (# 771:15 Single Ambig)
&rst
ixpk= 771, nxpk= 15, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
&end
#
# 0 AMB 15-2:772 118 GLN HN 4.50 (# 772:15 Single Ambig)
&rst
ixpk= 772, nxpk= 15, iat= -1,1761, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1706,1707,1708,1784,1785,1786,1788,1789,1790,
&end
#
# 118 GLN HG+ 118 GLN HE2- 4.50 (# 773:15 Unique 2.21, 3.28 A)
&rst
ixpk= 773, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1768,1769,
igr2=1773,1774,
&end
#
# 118 GLN HG- 118 GLN HE2- 3.50 (# 774:15 Unique 2.21, 3.28 A)
&rst
ixpk= 774, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1768,1769,
igr2=1773,1774,
&end
#
# 118 GLN HB- 118 GLN HE2+ 4.50 (# 775:15 Unique 2.24, 4.21 A)
&rst
ixpk= 775, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1765,1766,
igr2=1773,1774,
&end
#
# 114 THR MG2 118 GLN HE2- 3.50 (# 776:15 Unique 3.09, 4.66 A)
&rst
ixpk= 776, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1706,1707,1708,
igr2=1773,1774,
&end
#
# 115 VAL MGY 118 GLN HE2- 5.50 (# 777:15 Unique 2.98, 7.42 A)
&rst
ixpk= 777, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1720,1721,1722,1724,1725,1726,
igr2=1773,1774,
&end
#
# 0 AMB 15-2:778 0 AMB 15-1:778 5.50 (# 778:15 Double Ambig)
&rst
ixpk= 778, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
1725,1726,
igr2=1773,1774,1773,1774,
&end
#
# 120 LYS HG- 121 GLU HN 5.50 (# 779:15 Unique 3.59, 4.22 A)
&rst
ixpk= 779, nxpk= 15, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1801,1802,
&end
#
# 120 LYS HB+ 121 GLU HN 3.50 (# 780:15 Unique 2.34, 3.06 A)
&rst
ixpk= 780, nxpk= 15, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1798,1799,
&end
#
# 120 LYS HG+ 121 GLU HN 4.50 (# 781:15 Unique 3.59, 4.22 A)
&rst
ixpk= 781, nxpk= 15, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1801,1802,
&end
#
# 0 AMB 15-2:782 121 GLU HN 4.50 (# 782:15 Single Ambig)
&rst
ixpk= 782, nxpk= 15, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1823,1824,1859,
&end
#
# 0 AMB 15-2:783 121 GLU HN 5.50 (# 783:15 Single Ambig)
&rst
ixpk= 783, nxpk= 15, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1782,1765,1766,
&end
#
# 120 LYS HA 121 GLU HN 4.50 (# 784:15 Unique 3.56, 3.59 A)
&rst
ixpk= 784, nxpk= 15, iat=1796,1816, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LYS HN 121 GLU HN 3.50 (# 785:15 Unique 2.84, 2.93 A)
&rst
ixpk= 785, nxpk= 15, iat=1794,1816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 VAL HN 122 ARG HN 3.50 (# 786:15 Unique 2.61, 2.71 A)
&rst
ixpk= 786, nxpk= 15, iat=1855,1831, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 122 ARG HA 122 ARG HN 3.50 (# 787:15 Unique 2.85, 2.88 A)
&rst
ixpk= 787, nxpk= 15, iat=1833,1831, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 GLU HA 122 ARG HN 5.50 (# 788:15 Unique 3.58, 3.60 A)
&rst
ixpk= 788, nxpk= 15, iat=1818,1831, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 VAL HA 122 ARG HN 5.50 (# 789:15 Unique 3.18, 3.52 A)
&rst
ixpk= 789, nxpk= 15, iat=1780,1831, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:790 122 ARG HN 4.50 (# 790:15 Single Ambig)
&rst
ixpk= 790, nxpk= 15, iat= -1,1831, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1841,1842,1875,1876,
&end
#
# 121 GLU HB- 122 ARG HN 3.50 (# 791:15 Unique 2.56, 3.32 A)
&rst
ixpk= 791, nxpk= 15, iat= -1,1831, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1820,1821,
&end
#
# 122 ARG HB+ 122 ARG HN 3.50 (# 792:15 Unique 2.45, 3.11 A)
&rst
ixpk= 792, nxpk= 15, iat= -1,1831, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1835,1836,
&end
#
# 122 ARG HG+ 122 ARG HN 3.50 (# 793:15 Unique 2.31, 2.79 A)
&rst
ixpk= 793, nxpk= 15, iat= -1,1831, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1838,1839,
&end
#
# 122 ARG HG- 122 ARG HN 3.50 (# 794:15 Unique 2.31, 2.79 A)
&rst
ixpk= 794, nxpk= 15, iat= -1,1831, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1838,1839,
&end
#
# 122 ARG HG- 123 VAL HN 4.50 (# 795:15 Unique 4.14, 4.58 A)
&rst
ixpk= 795, nxpk= 15, iat= -1,1855, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1838,1839,
&end
#
# 0 AMB 15-2:796 123 VAL HN 5.50 (# 796:15 Single Ambig)
&rst
ixpk= 796, nxpk= 15, iat= -1,1855, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1782,1765,1766,
&end
#
# 120 LYS HA 123 VAL HN 4.50 (# 797:15 Unique 3.63, 3.73 A)
&rst
ixpk= 797, nxpk= 15, iat=1796,1855, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:798 123 VAL HN 5.50 (# 798:15 Single Ambig)
&rst
ixpk= 798, nxpk= 15, iat= -1,1855, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1875,1876,1929,1930,1923,
&end
#
# 126 LEU HB- 123 VAL HN 5.50 (# 799:15 Unique 5.07, 5.46 A)
&rst
ixpk= 799, nxpk= 15, iat= -1,1855, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1904,1905,
&end
#
# 122 ARG HA 123 VAL HN 3.50 (# 800:15 Unique 3.57, 3.58 A)
&rst
ixpk= 800, nxpk= 15, iat=1833,1855, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 VAL HA 123 VAL HN 3.50 (# 801:15 Unique 2.84, 2.87 A)
&rst
ixpk= 801, nxpk= 15, iat=1857,1855, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 122 ARG HN 123 VAL HN 3.50 (# 802:15 Unique 2.61, 2.71 A)
&rst
ixpk= 802, nxpk= 15, iat=1831,1855, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ASN HN 124 GLU HN 3.50 (# 803:15 Unique 2.69, 2.75 A)
&rst
ixpk= 803, nxpk= 15, iat=1886,1871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 GLU HA 124 GLU HN 4.50 (# 804:15 Unique 3.37, 3.54 A)
&rst
ixpk= 804, nxpk= 15, iat=1818,1871, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 123 VAL MGX 124 GLU HN 4.50 (# 805:15 Unique 2.61, 4.57 A)
&rst
ixpk= 805, nxpk= 15, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1861,1862,1863,1865,1866,1867,
&end
#
# 0 AMB 15-2:806 0 AMB 15-1:806 3.50 (# 806:15 Double Ambig)
&rst
ixpk= 806, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 402, 403, 404, 406, 407, 408,1720,1721,1722,1724,
1725,1726,1720,1721,1722,1724,1725,1726,
igr2=1871,1730,
&end
#
# 0 AMB 15-2:807 125 ASN HN 4.50 (# 807:15 Single Ambig)
&rst
ixpk= 807, nxpk= 15, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1838,1839, 402, 403, 404, 406, 407, 408,1929,1930,
&end
#
# 124 GLU HB- 125 ASN HN 3.50 (# 808:15 Unique 2.66, 3.14 A)
&rst
ixpk= 808, nxpk= 15, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1875,1876,
&end
#
# 124 GLU HG+ 125 ASN HN 5.50 (# 809:15 Unique 4.59, 4.90 A)
&rst
ixpk= 809, nxpk= 15, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1878,1879,
&end
#
# 126 LEU HB+ 125 ASN HN 5.50 (# 810:15 Unique 4.37, 4.86 A)
&rst
ixpk= 810, nxpk= 15, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1904,1905,
&end
#
# 122 ARG HA 125 ASN HN 4.50 (# 811:15 Unique 3.22, 3.43 A)
&rst
ixpk= 811, nxpk= 15, iat=1833,1886, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 124 GLU HA 125 ASN HN 3.50 (# 812:15 Unique 3.54, 3.55 A)
&rst
ixpk= 812, nxpk= 15, iat=1873,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 GLU HA 125 ASN HN 4.50 (# 813:15 Unique 3.93, 4.12 A)
&rst
ixpk= 813, nxpk= 15, iat=1818,1886, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 125 ASN HA 125 ASN HN 3.50 (# 814:15 Unique 2.81, 2.83 A)
&rst
ixpk= 814, nxpk= 15, iat=1888,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ASN HD2+ 125 ASN HN 4.50 (# 815:15 Unique 3.54, 5.18 A)
&rst
ixpk= 815, nxpk= 15, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1895,1896,
&end
#
# 127 ILE HN 125 ASN HN 5.50 (# 817:15 Unique 4.10, 4.24 A)
&rst
ixpk= 817, nxpk= 15, iat=1919,1886, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 GLU HN 125 ASN HN 3.50 (# 818:15 Unique 2.69, 2.75 A)
&rst
ixpk= 818, nxpk= 15, iat=1871,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ASN HN 125 ASN HD2- 5.50 (# 820:15 Unique 3.54, 5.18 A)
&rst
ixpk= 820, nxpk= 15, iat=1886, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1895,1896,
&end
#
# 125 ASN HA 125 ASN HD2- 5.50 (# 823:15 Unique 2.61, 3.51 A)
&rst
ixpk= 823, nxpk= 15, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1895,1896,
&end
#
# 125 ASN HA 125 ASN HD2+ 5.50 (# 824:15 Unique 2.61, 3.51 A)
&rst
ixpk= 824, nxpk= 15, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1895,1896,
&end
#
# 122 ARG HA 125 ASN HD2+ 5.50 (# 825:15 Unique 2.93, 5.96 A)
&rst
ixpk= 825, nxpk= 15, iat=1833, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1895,1896,
&end
#
# 125 ASN HB- 125 ASN HD2+ 2.80 (# 826:15 Unique 2.29, 3.41 A)
&rst
ixpk= 826, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1890,1891,
igr2=1895,1896,
&end
#
# 125 ASN HB+ 125 ASN HD2- 3.50 (# 827:15 Unique 2.29, 3.41 A)
&rst
ixpk= 827, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1890,1891,
igr2=1895,1896,
&end
#
# 121 GLU HG- 125 ASN HD2- 5.50 (# 828:15 Unique 5.44, 6.78 A)
&rst
ixpk= 828, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1823,1824,
igr2=1895,1896,
&end
#
# 0 AMB 15-2:829 125 ASN HD2- 5.50 (# 829:15 Single Ambig)
&rst
ixpk= 829, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1904,1905,1952,1953,
igr2=1895,1896,
&end
#
# 0 AMB 15-2:830 0 AMB 15-1:830 4.50 (# 830:15 Double Ambig)
&rst
ixpk= 830, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1486,1487,1904,1905,1952,1953,
igr2=1494,1495,1895,1896,1895,1896,
&end
#
# 100 GLN HG+ 100 GLN HE2- 3.50 (# 831:15 Unique 2.23, 3.32 A)
&rst
ixpk= 831, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1489,1490,
igr2=1494,1495,
&end
#
# 0 AMB 15-2:832 126 LEU HN 5.50 (# 832:15 Single Ambig)
&rst
ixpk= 832, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1976,1977,1978,1925,1926,1927,
&end
#
# 126 LEU MDY 126 LEU HN 4.50 (# 833:15 Unique 4.48, 5.11 A)
&rst
ixpk= 833, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1909,1910,1911,1913,1914,1915,
&end
#
# 0 AMB 15-2:834 126 LEU HN 4.50 (# 834:15 Single Ambig)
&rst
ixpk= 834, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1907,1942,1943,1944,
&end
#
# 0 AMB 15-2:835 126 LEU HN 4.50 (# 835:15 Single Ambig)
&rst
ixpk= 835, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1929,1930,1923,
&end
#
# 125 ASN HB- 126 LEU HN 3.50 (# 836:15 Unique 2.54, 3.31 A)
&rst
ixpk= 836, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1890,1891,
&end
#
# 0 AMB 15-2:837 126 LEU HN 3.50 (# 837:15 Single Ambig)
&rst
ixpk= 837, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1857,1873,
&end
#
# 122 ARG HA 126 LEU HN 5.50 (# 838:15 Unique 3.98, 4.21 A)
&rst
ixpk= 838, nxpk= 15, iat=1833,1900, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ASN HA 126 LEU HN 4.50 (# 839:15 Unique 3.55, 3.57 A)
&rst
ixpk= 839, nxpk= 15, iat=1888,1900, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 TRP HZ2 126 LEU HN 5.50 (# 840:15 Unique 3.01, 4.11 A)
&rst
ixpk= 840, nxpk= 15, iat=1471,1900, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ASN HD2+ 126 LEU HN 5.50 (# 841:15 Unique 2.45, 5.50 A)
&rst
ixpk= 841, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1895,1896,
&end
#
# 127 ILE HN 126 LEU HN 2.80 (# 842:15 Unique 2.81, 2.85 A)
&rst
ixpk= 842, nxpk= 15, iat=1919,1900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 124 GLU HN 126 LEU HN 5.50 (# 843:15 Unique 4.24, 4.38 A)
&rst
ixpk= 843, nxpk= 15, iat=1871,1900, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 ILE QG2 128 ALA HN 4.50 (# 844:15 Unique 3.25, 4.12 A)
&rst
ixpk= 844, nxpk= 15, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1925,1926,1927,
&end
#
# 0 AMB 15-2:845 128 ALA HN 5.50 (# 845:15 Single Ambig)
&rst
ixpk= 845, nxpk= 15, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915, 402, 403, 404, 406, 407, 408,
&end
#
# 0 AMB 15-2:846 128 ALA HN 4.50 (# 846:15 Single Ambig)
&rst
ixpk= 846, nxpk= 15, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1952,1953,1952,1953,1904,1905,
&end
#
# 127 ILE HA 128 ALA HN 5.50 (# 847:15 Unique 3.62, 3.64 A)
&rst
ixpk= 847, nxpk= 15, iat=1921,1938, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:848 128 ALA HN 4.50 (# 848:15 Single Ambig)
&rst
ixpk= 848, nxpk= 15, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1873,1993,1994,
&end
#
# 125 ASN HA 128 ALA HN 3.50 (# 849:15 Unique 3.29, 3.45 A)
&rst
ixpk= 849, nxpk= 15, iat=1888,1938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 ILE HN 128 ALA HN 2.80 (# 850:15 Unique 2.68, 2.72 A)
&rst
ixpk= 850, nxpk= 15, iat=1919,1938, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 129 LYS HD+ 129 LYS HN 5.50 (# 852:15 Unique 3.33, 4.42 A)
&rst
ixpk= 852, nxpk= 15, iat= -1,1948, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1958,1959,
&end
#
# 0 AMB 15-2:853 129 LYS HN 5.50 (# 853:15 Single Ambig)
&rst
ixpk= 853, nxpk= 15, iat= -1,1948, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1976,1977,1978,1405,1406,1407,1925,1926,1927,
&end
#
# 130 ILE QD1 130 ILE HN 3.50 (# 854:15 Unique 3.91, 4.40 A)
&rst
ixpk= 854, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1983,1984,1985,
&end
#
# 0 AMB 15-2:855 130 ILE HN 5.50 (# 855:15 Single Ambig)
&rst
ixpk= 855, nxpk= 15, iat= -1,1970, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
1914,1915,
&end
#
# 127 ILE HA 130 ILE HN 3.50 (# 856:15 Unique 3.40, 3.46 A)
&rst
ixpk= 856, nxpk= 15, iat=1921,1970, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 129 LYS HA 130 ILE HN 3.50 (# 857:15 Unique 3.57, 3.61 A)
&rst
ixpk= 857, nxpk= 15, iat=1950,1970, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 130 ILE HA 130 ILE HN 2.80 (# 858:15 Unique 2.83, 2.86 A)
&rst
ixpk= 858, nxpk= 15, iat=1972,1970, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 96 PHE HA 97 GLU HN 2.80 (# 859:15 Unique 2.21, 2.33 A)
&rst
ixpk= 859, nxpk= 15, iat=1413,1431, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 ALA HA 131 SER HN 5.50 (# 861:15 Unique 3.87, 4.02 A)
&rst
ixpk= 861, nxpk= 15, iat=1940,1989, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 131 SER HB+ 131 SER HN 3.50 (# 862:15 Unique 2.31, 2.95 A)
&rst
ixpk= 862, nxpk= 15, iat= -1,1989, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1993,1994,
&end
#
# 131 SER HB- 131 SER HN 3.50 (# 863:15 Unique 2.31, 2.95 A)
&rst
ixpk= 863, nxpk= 15, iat= -1,1989, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1993,1994,
&end
#
# 130 ILE HG1+ 131 SER HN 3.50 (# 867:15 Unique 2.29, 2.57 A)
&rst
ixpk= 867, nxpk= 15, iat= -1,1989, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1980,1981,
&end
#
# 130 ILE QD1 131 SER HN 5.50 (# 869:15 Unique 4.44, 4.80 A)
&rst
ixpk= 869, nxpk= 15, iat= -1,1989, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1983,1984,1985,
&end
#
# 57 ILE QG2 60 GLN HE2+ 4.50 (# 870:15 Unique 1.98, 4.25 A)
&rst
ixpk= 870, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 850, 851, 852,
igr2= 893, 894,
&end
#
# 57 ILE QG2 60 GLN HE2- 3.50 (# 871:15 Unique 1.98, 4.25 A)
&rst
ixpk= 871, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 850, 851, 852,
igr2= 893, 894,
&end
#
# 0 AMB 15-2:872 0 AMB 15-1:872 2.80 (# 872:15 Double Ambig)
&rst
ixpk= 872, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 885, 886, 312, 313, 309, 310,
igr2= 893, 894, 893, 894, 893, 894,
&end
#
# 0 AMB 15-2:873 60 GLN HE2- 2.80 (# 873:15 Single Ambig)
&rst
ixpk= 873, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 312, 313, 309, 310,
igr2= 893, 894,
&end
#
# 0 AMB 15-2:874 60 GLN HE2- 3.50 (# 874:15 Single Ambig)
&rst
ixpk= 874, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 885, 886, 848,
igr2= 893, 894,
&end
#
# 15 SER HB+ 60 GLN HE2+ 4.50 (# 875:15 Unique 2.39, 5.76 A)
&rst
ixpk= 875, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 254, 255,
igr2= 893, 894,
&end
#
# 15 SER HB+ 60 GLN HE2- 4.50 (# 876:15 Unique 2.39, 5.76 A)
&rst
ixpk= 876, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 254, 255,
igr2= 893, 894,
&end
#
# 20 GLY HN 60 GLN HE2- 4.50 (# 877:15 Unique 3.52, 4.92 A)
&rst
ixpk= 877, nxpk= 15, iat= 320, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 893, 894,
&end
#
# 64 PRO HD- 67 ASN HD2+ 5.50 (# 879:15 Unique 2.47, 5.01 A)
&rst
ixpk= 879, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 936, 937,
igr2= 992, 993,
&end
#
# 64 PRO HD+ 67 ASN HD2+ 3.50 (# 880:15 Unique 2.47, 5.01 A)
&rst
ixpk= 880, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 936, 937,
igr2= 992, 993,
&end
#
# 64 PRO HD+ 67 ASN HD2- 4.50 (# 881:15 Unique 2.47, 5.01 A)
&rst
ixpk= 881, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 936, 937,
igr2= 992, 993,
&end
#
# 64 PRO HD- 67 ASN HD2- 5.50 (# 882:15 Unique 2.47, 5.01 A)
&rst
ixpk= 882, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 936, 937,
igr2= 992, 993,
&end
#
# 63 ASP HB+ 67 ASN HD2- 4.50 (# 883:15 Unique 2.47, 4.66 A)
&rst
ixpk= 883, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 927, 928,
igr2= 992, 993,
&end
#
# 63 ASP HB+ 67 ASN HD2+ 4.50 (# 884:15 Unique 2.47, 4.66 A)
&rst
ixpk= 884, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 927, 928,
igr2= 992, 993,
&end
#
# 0 AMB 15-2:885 0 AMB 15-1:885 2.80 (# 885:15 Double Ambig)
&rst
ixpk= 885, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 987, 988, 942, 943,
igr2= 992, 993, 992, 993,
&end
#
# 64 PRO HG- 67 ASN HD2- 4.50 (# 886:15 Unique 3.59, 4.95 A)
&rst
ixpk= 886, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 939, 940,
igr2= 992, 993,
&end
#
# 64 PRO HG- 67 ASN HD2+ 3.50 (# 887:15 Unique 3.59, 4.95 A)
&rst
ixpk= 887, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 939, 940,
igr2= 992, 993,
&end
#
# 71 ASP HB- 69 ASN HD2- 4.50 (# 888:15 Unique 2.25, 3.61 A)
&rst
ixpk= 888, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1045,1046,
igr2=1026,1027,
&end
#
# 69 ASN HB- 69 ASN HD2- 4.50 (# 889:15 Unique 2.28, 3.16 A)
&rst
ixpk= 889, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1021,1022,
igr2=1026,1027,
&end
#
# 69 ASN HB+ 69 ASN HD2- 3.50 (# 890:15 Unique 2.28, 3.16 A)
&rst
ixpk= 890, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1021,1022,
igr2=1026,1027,
&end
#
# 71 ASP HB- 69 ASN HD2+ 4.50 (# 891:15 Unique 2.25, 3.61 A)
&rst
ixpk= 891, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1045,1046,
igr2=1026,1027,
&end
#
# 69 ASN HB- 69 ASN HD2+ 4.50 (# 892:15 Unique 2.28, 3.16 A)
&rst
ixpk= 892, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1021,1022,
igr2=1026,1027,
&end
#
# 69 ASN HB+ 69 ASN HD2+ 4.50 (# 893:15 Unique 2.28, 3.16 A)
&rst
ixpk= 893, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1021,1022,
igr2=1026,1027,
&end
#
# 69 ASN HN 69 ASN HD2- 5.50 (# 894:15 Unique 4.04, 5.34 A)
&rst
ixpk= 894, nxpk= 15, iat=1017, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1026,1027,
&end
#
# 85 ASN HB+ 85 ASN HD2+ 3.50 (# 895:15 Unique 2.34, 3.30 A)
&rst
ixpk= 895, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1234,1235,
igr2=1239,1240,
&end
#
# 85 ASN HB- 85 ASN HD2+ 3.50 (# 896:15 Unique 2.34, 3.30 A)
&rst
ixpk= 896, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1234,1235,
igr2=1239,1240,
&end
#
# 85 ASN HB- 85 ASN HD2- 4.50 (# 897:15 Unique 2.34, 3.30 A)
&rst
ixpk= 897, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1234,1235,
igr2=1239,1240,
&end
#
# 85 ASN HB+ 85 ASN HD2- 4.50 (# 898:15 Unique 2.34, 3.30 A)
&rst
ixpk= 898, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1234,1235,
igr2=1239,1240,
&end
#
# 0 AMB 15-2:899 0 AMB 15-1:899 5.50 (# 899:15 Double Ambig)
&rst
ixpk= 899, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 555, 556, 557, 559, 560, 561, 555, 556, 557, 559,
560, 561,
igr2=1239,1240,1239,1240,
&end
#
# 0 AMB 15-2:900 85 ASN HD2- 5.50 (# 900:15 Single Ambig)
&rst
ixpk= 900, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 555, 556, 557, 559, 560, 561, 555, 556, 557, 559,
560, 561,
igr2=1239,1240,
&end
#
# 0 AMB 15-2:902 26 GLY HN 3.50 (# 902:15 Single Ambig)
&rst
ixpk= 902, nxpk= 15, iat= -1, 412, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 395, 421,
&end
#
# 27 ALA HA 27 ALA HN 2.80 (# 903:15 Unique 2.63, 2.75 A)
&rst
ixpk= 903, nxpk= 15, iat= 421, 419, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:904 126 LEU HN 5.50 (# 904:15 Single Ambig)
&rst
ixpk= 904, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1875,1876,1859,1841,1842,
&end
#
# 0 AMB 15-2:905 123 VAL HN 3.50 (# 905:15 Single Ambig)
&rst
ixpk= 905, nxpk= 15, iat= -1,1855, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1784,1785,1786,1788,1789,1790,1508,1509,1510,1512,
1513,1514,
&end
#
# 0 AMB 15-2:907 128 ALA HN 5.50 (# 907:15 Single Ambig)
&rst
ixpk= 907, nxpk= 15, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 397, 398, 446, 447,
&end
#
# 37 LEU HG 37 LEU HN 3.50 (# 908:15 Unique 2.83, 3.46 A)
&rst
ixpk= 908, nxpk= 15, iat= 553, 546, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 LYS HA 120 LYS HN 3.50 (# 909:15 Unique 2.71, 2.77 A)
&rst
ixpk= 909, nxpk= 15, iat=1796,1794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 GLN HB+ 119 VAL HN 2.80 (# 910:15 Unique 2.12, 2.79 A)
&rst
ixpk= 910, nxpk= 15, iat= -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1765,1766,
&end
#
# 125 ASN HB+ 125 ASN HN 2.80 (# 911:15 Unique 2.14, 2.57 A)
&rst
ixpk= 911, nxpk= 15, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1890,1891,
&end
#
# 0 AMB 15-2:912 0 AMB 15-1:912 5.50 (# 912:15 Double Ambig)
&rst
ixpk= 912, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1608, 902,
igr2=1625, 591,
&end
#
# 71 ASP HB+ 72 ASP HN 3.50 (# 913:15 Unique 2.51, 3.48 A)
&rst
ixpk= 913, nxpk= 15, iat= -1,1053, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1045,1046,
&end
#
# 0 AMB 15-2:914 121 GLU HN 4.50 (# 914:15 Single Ambig)
&rst
ixpk= 914, nxpk= 15, iat= -1,1816, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1835,1836,1784,1785,1786,1788,1789,1790,
&end
#
# 71 ASP HB+ 71 ASP HN 2.80 (# 915:15 Unique 2.46, 2.54 A)
&rst
ixpk= 915, nxpk= 15, iat= -1,1041, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1045,1046,
&end
#
# 65 ILE HA 65 ILE HN 4.50 (# 916:15 Unique 2.73, 2.79 A)
&rst
ixpk= 916, nxpk= 15, iat= 951, 949, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 LEU HB+ 26 GLY HN 3.50 (# 917:15 Unique 2.54, 3.16 A)
&rst
ixpk= 917, nxpk= 15, iat= -1, 412, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 397, 398,
&end
#
# 40 SER HA 41 ARG HN 3.50 (# 920:15 Unique 2.27, 2.66 A)
&rst
ixpk= 920, nxpk= 15, iat= 593, 602, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 GLU HG+ 94 GLU HN 2.80 (# 921:15 Unique 2.11, 2.94 A)
&rst
ixpk= 921, nxpk= 15, iat= -1,1377, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1384,1385,
&end
#
# 68 PHE HD 67 ASN HN 4.50 (# 922:15 Unique 2.88, 5.32 A)
&rst
ixpk= 922, nxpk= 15, iat= -1, 983, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1005,1013,
&end
#
# 89 GLU HG+ 70 ALA HN 5.50 (# 923:15 Unique 2.84, 3.83 A)
&rst
ixpk= 923, nxpk= 15, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1298,1299,
&end
#
# 74 ASP HB+ 75 VAL HN 4.50 (# 924:15 Unique 2.59, 3.38 A)
&rst
ixpk= 924, nxpk= 15, iat= -1,1098, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1090,1091,
&end
#
# 96 PHE HN 97 GLU HN 5.50 (# 925:15 Unique 2.76, 4.09 A)
&rst
ixpk= 925, nxpk= 15, iat=1411,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 PHE HD 97 GLU HN 4.50 (# 926:15 Unique 2.65, 4.08 A)
&rst
ixpk= 926, nxpk= 15, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1419,1427,
&end
#
# 97 GLU HB+ 97 GLU HN 5.50 (# 928:15 Unique 2.52, 3.40 A)
&rst
ixpk= 928, nxpk= 15, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1435,1436,
&end
#
# 77 ILE QD1 97 GLU HN 4.50 (# 929:15 Unique 1.93, 3.40 A)
&rst
ixpk= 929, nxpk= 15, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1143,1144,1145,
&end
#
# 129 LYS HA 129 LYS HN 3.50 (# 930:15 Unique 2.84, 2.88 A)
&rst
ixpk= 930, nxpk= 15, iat=1950,1948, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 GLU HG- 89 GLU HN 3.50 (# 931:15 Unique 1.80, 2.97 A)
&rst
ixpk= 931, nxpk= 15, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1298,1299,
&end
#
# 0 AMB 15-2:932 102 GLU HN 3.50 (# 932:15 Single Ambig)
&rst
ixpk= 932, nxpk= 15, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1522,1523,1503,1504,
&end
#
# 94 GLU HA 94 GLU HN 2.80 (# 933:15 Unique 2.79, 2.83 A)
&rst
ixpk= 933, nxpk= 15, iat=1379,1377, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 GLU HN 75 VAL HN 5.50 (# 936:15 Unique 5.09, 5.52 A)
&rst
ixpk= 936, nxpk= 15, iat=1377,1098, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 PHE HA 22 ALA HN 5.50 (# 937:15 Unique 3.53, 3.58 A)
&rst
ixpk= 937, nxpk= 15, iat= 329, 347, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 VAL HA 120 LYS HN 5.50 (# 938:15 Unique 3.58, 3.64 A)
&rst
ixpk= 938, nxpk= 15, iat=1780,1794, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 123 VAL HN 121 GLU HN 5.50 (# 939:15 Unique 4.27, 4.33 A)
&rst
ixpk= 939, nxpk= 15, iat=1855,1816, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 VAL HN 121 GLU HN 5.50 (# 940:15 Unique 4.49, 4.66 A)
&rst
ixpk= 940, nxpk= 15, iat=1778,1816, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:943 103 ASP HN 4.50 (# 943:15 Single Ambig)
&rst
ixpk= 943, nxpk= 15, iat= -1,1533, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1525,1526,1585,1586,
&end
#
# 103 ASP HA 103 ASP HN 2.80 (# 944:15 Unique 2.18, 2.62 A)
&rst
ixpk= 944, nxpk= 15, iat=1535,1533, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 5 MET HA 6 PHE HN 2.80 (# 947:15 Unique 2.19, 2.25 A)
&rst
ixpk= 947, nxpk= 15, iat= 83, 98, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 VAL MGX 6 PHE HN 3.50 (# 950:15 Unique 2.57, 5.46 A)
&rst
ixpk= 950, nxpk= 15, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 113 ARG HG- 113 ARG HE 5.50 (# 951:15 Unique 2.30, 2.51 A)
&rst
ixpk= 951, nxpk= 15, iat= -1,1689, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1683,1684,
&end
#
# 113 ARG HB+ 113 ARG HE 5.50 (# 952:15 Unique 4.31, 4.45 A)
&rst
ixpk= 952, nxpk= 15, iat= -1,1689, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1680,1681,
&end
#
# 113 ARG HG+ 113 ARG HE 5.50 (# 953:15 Unique 2.30, 2.51 A)
&rst
ixpk= 953, nxpk= 15, iat= -1,1689, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1683,1684,
&end
#
# 113 ARG HD+ 113 ARG HE 4.50 (# 954:15 Unique 2.71, 2.83 A)
&rst
ixpk= 954, nxpk= 15, iat= -1,1689, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1686,1687,
&end
#
# 78 SER HB+ 78 SER HN 3.50 (# 957:15 Unique 2.34, 3.08 A)
&rst
ixpk= 957, nxpk= 15, iat= -1,1149, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1153,1154,
&end
#
# 77 ILE QG2 78 SER HN 4.50 (# 958:15 Unique 2.53, 3.59 A)
&rst
ixpk= 958, nxpk= 15, iat= -1,1149, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1136,1137,1138,
&end
#
# 77 ILE HA 78 SER HN 2.80 (# 959:15 Unique 2.17, 2.25 A)
&rst
ixpk= 959, nxpk= 15, iat=1132,1149, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 VAL MGY 82 SER HN 3.50 (# 964:15 Unique 2.38, 4.33 A)
&rst
ixpk= 964, nxpk= 15, iat= -1,1196, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1220,1221,1222,1224,1225,1226,
&end
#
# 84 VAL HB 82 SER HN 5.50 (# 965:15 Unique 2.91, 5.29 A)
&rst
ixpk= 965, nxpk= 15, iat=1218,1196, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 SER HB+ 82 SER HN 5.50 (# 966:15 Unique 2.55, 3.41 A)
&rst
ixpk= 966, nxpk= 15, iat= -1,1196, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1200,1201,
&end
#
# 0 AMB 15-2:971 6 PHE HN 5.50 (# 971:15 Single Ambig)
&rst
ixpk= 971, nxpk= 15, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 528,1130,
&end
#
# 21 PHE HB+ 21 PHE HN 3.50 (# 975:15 Unique 2.17, 2.93 A)
&rst
ixpk= 975, nxpk= 15, iat= -1, 327, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 331, 332,
&end
#
# 125 ASN HB+ 126 LEU HN 3.50 (# 976:15 Unique 2.54, 3.31 A)
&rst
ixpk= 976, nxpk= 15, iat= -1,1900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1890,1891,
&end
#
# 0 AMB 15-2:978 101 LEU HN 4.50 (# 978:15 Single Ambig)
&rst
ixpk= 978, nxpk= 15, iat= -1,1499, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1486,1487,1486,1487,
&end
#
# 65 ILE QD1 90 TRP HE1 5.50 (# 979:15 Unique 3.58, 5.26 A)
&rst
ixpk= 979, nxpk= 15, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 962, 963, 964,
&end
#
# 53 VAL MGY 52 GLU HN 5.50 (# 982:15 Unique 3.62, 5.75 A)
&rst
ixpk= 982, nxpk= 15, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 796, 797, 798, 800, 801, 802,
&end
#
# 0 AMB 15-2:983 21 PHE HN 5.50 (# 983:15 Single Ambig)
&rst
ixpk= 983, nxpk= 15, iat= -1, 327, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 364, 365, 351, 352, 353,
&end
#
# 61 THR MG2 62 SER HN 3.50 (# 984:15 Unique 2.12, 3.86 A)
&rst
ixpk= 984, nxpk= 15, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 904, 905, 906,
&end
#
# 29 LYS HB- 29 LYS HN 3.50 (# 985:15 Unique 2.71, 3.41 A)
&rst
ixpk= 985, nxpk= 15, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 440, 441,
&end
#
# 29 LYS HG+ 29 LYS HN 3.50 (# 986:15 Unique 2.04, 2.99 A)
&rst
ixpk= 986, nxpk= 15, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 443, 444,
&end
#
# 30 ILE HG1+ 29 LYS HN 5.50 (# 987:15 Unique 3.59, 4.50 A)
&rst
ixpk= 987, nxpk= 15, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 468, 469,
&end
#
# 30 ILE QG2 29 LYS HN 5.50 (# 988:15 Unique 4.59, 5.61 A)
&rst
ixpk= 988, nxpk= 15, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 464, 465, 466,
&end
#
# 0 AMB 15-2:989 29 LYS HN 3.50 (# 989:15 Single Ambig)
&rst
ixpk= 989, nxpk= 15, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 440, 441, 15, 16, 17,
&end
#
# 78 SER HB- 78 SER HN 4.50 (# 991:15 Unique 2.34, 3.08 A)
&rst
ixpk= 991, nxpk= 15, iat= -1,1149, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1153,1154,
&end
#
# 86 LEU MDX 86 LEU HN 5.50 (# 992:15 Unique 2.20, 4.87 A)
&rst
ixpk= 992, nxpk= 15, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1253,1254,1255,1257,1258,1259,
&end
#
# 0 AMB 15-2:994 24 THR HN 5.50 (# 994:15 Single Ambig)
&rst
ixpk= 994, nxpk= 15, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 823, 824, 493, 494, 495, 497, 498, 499,
&end
#
# 24 THR MG2 24 THR HN 3.50 (# 995:15 Unique 3.97, 4.30 A)
&rst
ixpk= 995, nxpk= 15, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 385, 386, 387,
&end
#
# 23 LYS HG+ 24 THR HN 3.50 (# 996:15 Unique 2.34, 3.34 A)
&rst
ixpk= 996, nxpk= 15, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 364, 365,
&end
#
# 23 LYS HB- 24 THR HN 4.50 (# 997:15 Unique 2.27, 3.80 A)
&rst
ixpk= 997, nxpk= 15, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 361, 362,
&end
#
# 23 LYS HB+ 24 THR HN 4.50 (# 998:15 Unique 2.27, 3.80 A)
&rst
ixpk= 998, nxpk= 15, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 361, 362,
&end
#
# 55 ILE QD1 24 THR HN 5.50 (# 999:15 Unique 3.69, 4.51 A)
&rst
ixpk= 999, nxpk= 15, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 826, 827, 828,
&end
#
# 0 AMB 15-2:1000 0 AMB 15-1:1000 5.50 (# 1000:15 Double Ambig)
&rst
ixpk= 1000, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 916, 917, 100,
igr2= 923,1130,
&end
#
# 23 LYS HG- 24 THR HN 4.50 (# 1001:15 Unique 2.34, 3.34 A)
&rst
ixpk= 1001, nxpk= 15, iat= -1, 379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 364, 365,
&end
#
# 42 VAL MGX 11 ASN HD2+ 4.50 (# 1002:15 Unique 2.27, 5.09 A)
&rst
ixpk= 1002, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 632, 633, 634, 636, 637, 638,
igr2= 199, 200,
&end
#
# 42 VAL MGY 11 ASN HD2- 5.50 (# 1003:15 Unique 2.27, 5.09 A)
&rst
ixpk= 1003, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 632, 633, 634, 636, 637, 638,
igr2= 199, 200,
&end
#
# 42 VAL HB 11 ASN HD2+ 5.50 (# 1004:15 Unique 2.89, 5.14 A)
&rst
ixpk= 1004, nxpk= 15, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 199, 200,
&end
#
# 11 ASN HB+ 11 ASN HD2+ 3.50 (# 1006:15 Unique 2.22, 3.40 A)
&rst
ixpk= 1006, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 11 ASN HB+ 11 ASN HD2- 5.50 (# 1008:15 Unique 2.22, 3.40 A)
&rst
ixpk= 1008, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 0 AMB 15-2:1012 75 VAL HN 5.50 (# 1012:15 Single Ambig)
&rst
ixpk= 1012, nxpk= 15, iat= -1,1098, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1120,1121,1122,1124,1125,1126, 50, 51,
&end
#
# 23 LYS HB- 23 LYS HN 3.50 (# 1013:15 Unique 1.97, 2.89 A)
&rst
ixpk= 1013, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 361, 362,
&end
#
# 70 ALA HA 71 ASP HN 3.50 (# 1015:15 Unique 2.22, 3.39 A)
&rst
ixpk= 1015, nxpk= 15, iat=1033,1041, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 GLU HG- 52 GLU HN 3.50 (# 1016:15 Unique 1.85, 2.46 A)
&rst
ixpk= 1016, nxpk= 15, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 782, 783,
&end
#
# 0 AMB 15-2:1017 52 GLU HN 5.50 (# 1017:15 Single Ambig)
&rst
ixpk= 1017, nxpk= 15, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 747, 748, 737, 738, 739,1737,1738,
&end
#
# 124 GLU HB- 124 GLU HN 3.50 (# 1019:15 Unique 2.31, 2.96 A)
&rst
ixpk= 1019, nxpk= 15, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1875,1876,
&end
#
# 61 THR HB 62 SER HN 3.50 (# 502:15 Double Ambig)
&rst
ixpk= 502, nxpk= 15, iat= 902, 912, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ASN HN 125 ASN HD2+ 4.50 (# 819:15 Double Ambig)
&rst
ixpk= 819, nxpk= 15, iat=1886, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1895,1896,
&end
#
# 127 ILE HA 131 SER HN 4.50 (# 864:15 Double Ambig)
&rst
ixpk= 864, nxpk= 15, iat=1921,1989, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:865 131 SER HN 5.50 (# 865:15 Double Ambig)
&rst
ixpk= 865, nxpk= 15, iat= -1,1989, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1952,1953,1952,1953,
&end
#
# 130 ILE HG1- 131 SER HN 3.50 (# 866:15 Double Ambig)
&rst
ixpk= 866, nxpk= 15, iat= -1,1989, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1980,1981,
&end
#
# 0 AMB 15-2:868 131 SER HN 4.50 (# 868:15 Double Ambig)
&rst
ixpk= 868, nxpk= 15, iat= -1,1989, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 464, 465, 466,1405,1406,1407,1104,1105,1106,1108,
1109,1110,
&end
#
# 97 GLU HB- 97 GLU HN 4.50 (# 927:15 Double Ambig)
&rst
ixpk= 927, nxpk= 15, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1435,1436,
&end
#
# 77 ILE HG1- 6 PHE HN 5.50 (# 949:15 Single Ambig)
&rst
ixpk= 949, nxpk= 15, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1140,1141,
&end
#
# 88 PRO HA 90 TRP HN 3.50 (# 1021:15 Unique 2.87, 2.91 A )
&rst
ixpk= 1021, nxpk= 15, iat=1287,1306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 PRO HA 91 VAL HN 3.50 (# 1022:15 Single Ambig)
&rst
ixpk= 1022, nxpk= 15, iat=1287,1330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 VAL HA 91 VAL HN 3.50 (# 1023:15 Single Ambig)
&rst
ixpk= 1023, nxpk= 15, iat=1332,1330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 GLU HN 65 ILE HN 3.50 (# 1024:15 Single Ambig)
&rst
ixpk= 1024, nxpk= 15, iat= 968, 949, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ASP HN 71 ASP HN 2.80 (# 1025:15 Single Ambig)
&rst
ixpk= 1025, nxpk= 15, iat=1053,1041, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 TYR HN 71 ASP HN 4.50 (# 1026:15 Single Ambig)
&rst
ixpk= 1026, nxpk= 15, iat=1065,1041, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASP HN 72 ASP HN 2.80 (# 1027:15 Single Ambig)
&rst
ixpk= 1027, nxpk= 15, iat=1041,1053, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 GLU HN 50 MET HN 3.50 (# 1030:15 Unique 2.50, 2.58 A)
&rst
ixpk= 1030, nxpk= 15, iat= 775, 743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 MET HB+ 51 GLU HN 4.50 (# 1031:15 Unique 2.96, 3.68 A)
&rst
ixpk= 1031, nxpk= 15, iat= -1, 760, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 747, 748,
&end
#
# 51 GLU HB+ 52 GLU HN 4.50 (# 1032:15 Single Ambig)
&rst
ixpk= 1032, nxpk= 15, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 764, 765,
&end
#
# 51 GLU HB- 52 GLU HN 4.50 (# 1033:15 Single Ambig)
&rst
ixpk= 1033, nxpk= 15, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 764, 765,
&end
#
# 52 GLU HB- 53 VAL HN 4.50 (# 1034:15 Unique 2.50, 3.79 A)
&rst
ixpk= 1034, nxpk= 15, iat= -1, 790, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 779, 780,
&end
#
# 51 GLU HA 53 VAL HN 4.50 (# 1035:15 Unique 3.83, 4.02 A)
&rst
ixpk= 1035, nxpk= 15, iat= 762, 790, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 MET HA 50 MET HN 5.50 (# 1036:15 Unique 3.54, 3.57 A)
&rst
ixpk= 1036, nxpk= 15, iat= 728, 743, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 71 ASP HA 72 ASP HN 3.50 (# 1037:15 Unique 3.51, 3.53 A)
&rst
ixpk= 1037, nxpk= 15, iat=1043,1053, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ASP HA 73 TYR HN 3.50 (# 1038:15 Single Ambig)
&rst
ixpk= 1038, nxpk= 15, iat=1055,1065, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 ASP HA 73 TYR HN 4.50 (# 1039:15 Single Ambig)
&rst
ixpk= 1039, nxpk= 15, iat=1043,1065, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 TRP HA 91 VAL HN 3.50 (# 617:15 Single Ambig)
&rst
ixpk= 617, nxpk= 15, iat=1308,1330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 VAL HN 51 GLU HN 5.50 (# 411:15 Unique 2.35, 2.46 A)
&rst
ixpk= 411, nxpk= 15, iat= 790, 760, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 GLU HB+ 52 GLU HN 4.50 (# 129:15 Single Ambig)
&rst
ixpk= 129, nxpk= 15, iat= -1, 775, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 779, 780,
&end
#
# 0 AMB 15-2:918 31 ALA HN 5.50 (# 918:15 2.89 4.95)
&rst
ixpk= 918, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 8, 9, 15, 16, 17,
&end
#
# 35 SER HN 34 SER HN 4.50 (# 1040:15 Single Ambig)
&rst
ixpk= 1040, nxpk= 15, iat= 528, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 GLY HA+ 37 LEU HN 3.50 (# 1041:15 Unique 2.30, 2.59 A)
&rst
ixpk= 1041, nxpk= 15, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 541, 542,
&end
#
# 38 GLU HB+ 37 LEU HN 4.50 (# 1042:15 Unique 2.30, 2.59 A)
&rst
ixpk= 1042, nxpk= 15, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 569, 570,
&end
#
# 38 GLU HB- 37 LEU HN 4.50 (# 1043:15 Unique 2.30, 2.59 A)
&rst
ixpk= 1043, nxpk= 15, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 569, 570,
&end
#
# 41 ARG HB+ 41 ARG HN 5.50 (# 1045:15 Unique 2.30, 2.59 A)
&rst
ixpk= 1045, nxpk= 15, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 606, 607,
&end
#
# 41 ARG HB- 41 ARG HN 5.50 (# 1046:15 Unique 2.30, 2.59 A)
&rst
ixpk= 1046, nxpk= 15, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 606, 607,
&end
#
# 41 ARG HG+ 41 ARG HN 5.50 (# 1047:15 Unique 2.30, 2.59 A)
&rst
ixpk= 1047, nxpk= 15, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 41 ARG HG- 41 ARG HN 5.50 (# 1048:15 Unique 2.30, 2.59 A)
&rst
ixpk= 1048, nxpk= 15, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 609, 610,
&end
#
# 42 VAL MGY 42 VAL HN 3.50 (# 1049:15 Unique 1.83, 3.14 A)
&rst
ixpk= 1049, nxpk= 15, iat= -1, 626, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 632, 633, 634, 636, 637, 638,
&end
#
# 41 ARG HN 42 VAL HN 4.50 (# 1050:15 Unique 1.83, 3.14 A)
&rst
ixpk= 1050, nxpk= 15, iat= 602, 626, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 VAL HN 41 ARG HN 4.50 (# 1051:15 Unique 1.83, 3.14 A)
&rst
ixpk= 1051, nxpk= 15, iat= 626, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 86 LEU MDY 86 LEU HN 5.50 (# 1052:15 Unique 2.20, 4.87 A)
&rst
ixpk= 1052, nxpk= 15, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1253,1254,1255,1257,1258,1259,
&end
#
# 79 LEU HG 79 LEU HN 3.50 (# 576:15 Double Ambig)
&rst
ixpk= 576, nxpk= 15, iat=1167,1160, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 ILE HG1- 77 ILE HN 3.50 (# 1053:15 Double Ambig)
&rst
ixpk= 1053, nxpk= 15, iat= -1,1130, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1140,1141,
&end
#
# 98 ASP HA 78 SER HN 4.50 (# 960:15 Single Ambig)
&rst
ixpk= 960, nxpk= 15, iat=1448,1149, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 SER HA 78 SER HN 4.50 (# 1054:15 Single Ambig)
&rst
ixpk= 1054, nxpk= 15, iat=1151,1149, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLN HG+ 60 GLN HN 3.50 (# 1055:15 Unique 2.33, 2.83 A)
&rst
ixpk= 1055, nxpk= 15, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 888, 889,
&end
#
# 59 GLY HA+ 60 GLN HN 3.50 (# 1056:15 Unique 2.70, 3.33 A)
&rst
ixpk= 1056, nxpk= 15, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 876, 877,
&end
#
# 57 ILE HA 60 GLN HN 5.50 (# 484:15 Single Ambig)
&rst
ixpk= 484, nxpk= 15, iat= 846, 881, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 THR HA 60 GLN HN 5.50 (# 1057:15 Single Ambig)
&rst
ixpk= 1057, nxpk= 15, iat= 900, 881, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 SER HB+ 62 SER HN 3.50 (# 1058:15 Unique 2.34, 3.65 A)
&rst
ixpk= 1058, nxpk= 15, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 916, 917,
&end
#
# 78 SER HA 79 LEU HN 3.50 (# 993:15 Double Ambig)
&rst
ixpk= 993, nxpk= 15, iat=1151,1160, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 ASP HA 63 ASP HN 3.50 (# 1059:15 Double Ambig)
&rst
ixpk= 1059, nxpk= 15, iat= 925, 923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 ASN HB- 11 ASN HD2+ 3.50 (# 1005:15 Double Ambig)
&rst
ixpk= 1005, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 11 ASN HB- 11 ASN HD2- 5.50 (# 1007:15 Single Ambig)
&rst
ixpk= 1007, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 194, 195,
igr2= 199, 200,
&end
#
# 124 GLU HA 127 ILE HN 3.50 (# 501:15 Double Ambig)
&rst
ixpk= 501, nxpk= 15, iat=1873,1919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 GLY HA- 36 GLY HN 3.50 (# 340:15 Single Ambig)
&rst
ixpk= 340, nxpk= 15, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 541, 542,
&end
#
# 92 THR HB 92 THR HN 3.50 (# 626:15 Single Ambig)
&rst
ixpk= 626, nxpk= 15, iat=1350,1346, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 THR HA 92 THR HN 3.50 (# 1060:15 Single Ambig)
&rst
ixpk= 1060, nxpk= 15, iat=1348,1346, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 VAL HA 92 THR HN 4.50 (# 625:15 Single Ambig)
&rst
ixpk= 625, nxpk= 15, iat=1332,1346, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 TRP HA 92 THR HN 4.50 (# 1061:15 Single Ambig)
&rst
ixpk= 1061, nxpk= 15, iat=1308,1346, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 88 PRO HA 92 THR HN 4.50 (# 1062:15 Single Ambig)
&rst
ixpk= 1062, nxpk= 15, iat=1287,1346, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 SER HA 40 SER HN 3.50 (# 121:15 Double Ambig)
&rst
ixpk= 121, nxpk= 15, iat= 582, 591, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 SER HB- 110 GLU HN 3.50 (# 1063:15 Double Ambig)
&rst
ixpk= 1063, nxpk= 15, iat= -1,1625, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1599,1600,
&end
#
# 69 ASN HA 69 ASN HN 2.80 (# 1065:15 Unique 2.91, 2.95 A)
&rst
ixpk= 1065, nxpk= 15, iat=1019,1017, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 VAL HA 11 ASN HD2+ 3.50 (# 1009:15 Double Ambig)
&rst
ixpk= 1009, nxpk= 15, iat= 628, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 199, 200,
&end
#
# 42 VAL HA 11 ASN HD2- 3.50 (# 1011:15 Single Ambig)
&rst
ixpk= 1011, nxpk= 15, iat= 628, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 199, 200,
&end
#
# 67 ASN HN 65 ILE HN 5.50 (# 1066:15 Unique 2.63, 3.46 A)
&rst
ixpk= 1066, nxpk= 15, iat= 983, 949, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL HA 34 SER HN 5.50 (# 328:15 Single Ambig)
&rst
ixpk= 328, nxpk= 15, iat= 489, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 SER HA 34 SER HN 5.50 (# 1067:15 Single Ambig)
&rst
ixpk= 1067, nxpk= 15, iat= 530, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 THR HB 34 SER HN 4.50 (# 330:15 Single Ambig)
&rst
ixpk= 330, nxpk= 15, iat= 507, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 SER HB- 34 SER HN 3.50 (# 1068:15 Single Ambig)
&rst
ixpk= 1068, nxpk= 15, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 521, 522,
&end
#
# 34 SER HB- 35 SER HN 4.50 (# 333:15 Single Ambig)
&rst
ixpk= 333, nxpk= 15, iat= -1, 528, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 521, 522,
&end
#
# 33 THR HB 35 SER HN 4.50 (# 1069:15 Single Ambig)
&rst
ixpk= 1069, nxpk= 15, iat= 507, 528, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 SER HN 36 GLY HN 5.50 (# 1070:15 Unique 2.63, 3.46 A)
&rst
ixpk= 1070, nxpk= 15, iat= 528, 539, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 37 LEU MDX 37 LEU HN 3.50 (# 630:15 Single Ambig)
&rst
ixpk= 630, nxpk= 15, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 37 LEU MDY 37 LEU HN 3.50 (# 1071:15 Single Ambig)
&rst
ixpk= 1071, nxpk= 15, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 555, 556, 557, 559, 560, 561,
&end
#
# 37 LEU HB- 37 LEU HN 3.50 (# 632:15 Double Ambig)
&rst
ixpk= 632, nxpk= 15, iat= -1, 546, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 550, 551,
&end
#
# 93 GLN HB- 93 GLN HN 3.50 (# 1072:15 Double Ambig)
&rst
ixpk= 1072, nxpk= 15, iat= -1,1360, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1364,1365,
&end
#
# 65 ILE HN 36 GLY HN 4.50 (# 337:15 Unique 2.63, 3.46 A)
&rst
ixpk= 337, nxpk= 15, iat= 949, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 ILE HB 36 GLY HN 5.50 (# 901:15 Unique 2.22, 3.87 A)
&rst
ixpk= 901, nxpk= 15, iat= 953, 539, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 ILE QG2 58 SER HN 3.50 (# 467:15 Single Ambig)
&rst
ixpk= 467, nxpk= 15, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 703, 704, 705,
&end
#
# 47 ILE QD1 58 SER HN 3.50 (# 1073:15 Single Ambig)
&rst
ixpk= 1073, nxpk= 15, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 710, 711, 712,
&end
#
# 47 ILE HG1- 58 SER HN 5.50 (# 1074:15 Single Ambig)
&rst
ixpk= 1074, nxpk= 15, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 707, 708,
&end
#
# 47 ILE HA 58 SER HN 5.50 (# 1075:15 Single Ambig)
&rst
ixpk= 1075, nxpk= 15, iat= 699, 863, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 ILE HB 58 SER HN 5.50 (# 1076:15 Single Ambig)
&rst
ixpk= 1076, nxpk= 15, iat= 701, 863, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ALA MB 58 SER HN 5.50 (# 1077:15 Single Ambig)
&rst
ixpk= 1077, nxpk= 15, iat= -1, 863, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 691, 692, 693,
&end
#
# 11 ASN HA 40 SER HN 5.50 (# 1079:15 Unique 2.78, 2.88 A)
&rst
ixpk= 1079, nxpk= 15, iat= 192, 591, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 ARG HB- 40 SER HN 5.50 (# 358:15 Double Ambig)
&rst
ixpk= 358, nxpk= 15, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 606, 607,
&end
#
# 109 LEU HB+ 110 GLU HN 3.50 (# 1081:15 Double Ambig)
&rst
ixpk= 1081, nxpk= 15, iat= -1,1625, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1610,1611,
&end
#
# 11 ASN HB- 40 SER HN 3.50 (# 359:15 Double Ambig)
&rst
ixpk= 359, nxpk= 15, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 194, 195,
&end
#
# 110 GLU HG+ 110 GLU HN 4.50 (# 1080:15 Double Ambig)
&rst
ixpk= 1080, nxpk= 15, iat= -1,1625, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1632,1633,
&end
#
# 11 ASN HB+ 41 ARG HN 4.50 (# 1082:15 Double Ambig)
&rst
ixpk= 1082, nxpk= 15, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 194, 195,
&end
#
# 11 ASN HB- 41 ARG HN 4.50 (# 1083:15 Double Ambig)
&rst
ixpk= 1083, nxpk= 15, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 194, 195,
&end
#
# 42 VAL HB 11 ASN HD2- 5.50 (# 1084:15 Unique 2.89, 5.14 A)
&rst
ixpk= 1084, nxpk= 15, iat= 630, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 199, 200,
&end
#
# 118 GLN HA 119 VAL HN 3.50 (# 1085:15 Unique 3.18, 3.41 A)
&rst
ixpk= 1085, nxpk= 15, iat=1763,1778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 ASN HA 60 GLN HE2+ 5.50 (# 1086:15 Unique 2.39, 5.76 A)
&rst
ixpk= 1086, nxpk= 15, iat= 192, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 893, 894,
&end
#
# 11 ASN HA 60 GLN HE2- 5.50 (# 1087:15 Unique 2.39, 5.76 A)
&rst
ixpk= 1087, nxpk= 15, iat= 192, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 893, 894,
&end
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